elements
sequencelengths
1
8
nsites
int32
1
392
chemical_formula_anonymous
stringlengths
1
18
chemical_formula_reduced
stringlengths
1
22
chemical_formula_descriptive
stringlengths
1
30
nelements
int8
1
8
dimension_types
sequencelengths
3
3
nperiodic_dimensions
int8
3
3
lattice_vectors
sequencelengths
3
3
immutable_id
stringlengths
4
12
cartesian_site_positions
sequencelengths
1
392
species
stringlengths
138
1.12k
species_at_sites
sequencelengths
1
392
last_modified
stringdate
2011-05-12 00:00:00
2025-04-16 00:00:00
elements_ratios
sequencelengths
1
8
stress_tensor
sequencelengths
3
3
energy
float64
-2,749.01
2.15
energy_corrected
float64
-2,897.4
2.15
forces
sequencelengths
1
392
functional
stringclasses
1 value
cross_compatibility
bool
1 class
space_group_it_number
int32
1
230
id
stringlengths
12
20
relaxation_step
int32
0
731
relaxation_number
int32
0
2
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.31071911, -0.02791218, 0.02474063 ], [ 1.36852422, 5.87112552, -0.03098726 ], [ 1.10818654, 2.72090026, 8.10282799 ] ]
agm005266257
[ [ 2.0649871228651975, 5.505631970527723, 1.6840285956289562 ], [ 5.722442747134802, 3.0584816294722765, 6.412552764371044 ], [ 4.382628029837415, 4.00724708193633, 0.552073908106736 ], [ 3.404801840162585, 4.55686651806367, 7.5445074518932635 ], [ 0.9438932469303332, 2.5149035499882166, 3.1086375776224706 ], [ 6.843536623069666, 6.049210050011783, 4.987943782377529 ], [ 2.075521532614339, 3.5712627678863154, 7.900814244841544 ], [ 5.711908337385661, 4.992850832113684, 0.1957671151584556 ], [ 5.220437893125113, 6.46822640662669, 2.6500377911691833 ], [ 2.566991976874887, 2.09588719337331, 5.446543568830817 ], [ 2.218984359098966, 3.4347714520430297, 2.6144929565261483 ], [ 5.568445510901033, 5.1293421479569705, 5.482088403473851 ], [ 4.242528230497163, 5.812171803215321, 3.107674757017202 ], [ 3.5449016395028377, 2.7519417967846787, 4.988906602982798 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ -8.3106818, -10.52188137, 6.12907544 ], [ -10.52188133, -5.1627383, 4.24674068 ], [ 6.12907544, 4.24674063, 4.08516717 ] ]
-61.316591
-62.604591
[ [ 0.04546694, -0.05415312, 0.15795598 ], [ -0.04546694, 0.05415312, -0.15795598 ], [ 0.44878853, 0.24149562, -0.10553632 ], [ -0.44878853, -0.24149562, 0.10553632 ], [ 0.2794863, 0.28104195, -0.15276264 ], [ -0.2794863, -0.28104195, 0.15276264 ], [ 0.48429931, 0.34183298, -0.11852208 ], [ -0.48429931, -0.34183298, 0.11852208 ], [ -0.10226222, 0.03865131, -0.03862278 ], [ 0.10226222, -0.03865131, 0.03862278 ], [ -0.30968913, -0.25661434, 0.1176824 ], [ 0.30968913, 0.25661434, -0.1176824 ], [ 0.03575807, 0.04773162, -0.02751045 ], [ -0.03575807, -0.04773162, 0.02751045 ] ]
pbe
true
2
agm005266257-pbe-9
9
0
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.35822586, -0.02267318, 0.09845648 ], [ 1.38434185, 6.00450736, 0.05998155 ], [ 1.23474284, 2.88365664, 7.95660137 ] ]
agm005266257
[ [ 2.0533592025749536, 5.63474072855332, 1.7927257229525044 ], [ 5.923951347425046, 3.23075009144668, 6.322313677047495 ], [ 4.471558082919603, 4.121390903587276, 0.72405321354751 ], [ 3.5057524670803972, 4.744099916412724, 7.39098618645249 ], [ 1.020824346922499, 2.678700816138324, 3.197449673605691 ], [ 6.956486203077501, 6.186790003861676, 4.91758972639431 ], [ 2.2127164776176507, 3.765102793455587, 7.7767073039819445 ], [ 5.76459407238235, 5.100388026544413, 0.33833209601805486 ], [ 3.8514197715537426, 0.8968120149976346, 2.4815189577279377 ], [ 2.7415489284462575, 1.9641714450023653, 5.573538892272063 ], [ 2.2974835982924273, 3.5821278744775316, 2.724890972958364 ], [ 5.679826951707573, 5.283362945522468, 5.390148427041635 ], [ 4.251679291627445, 6.245112879748653, 2.982047158569687 ], [ 3.725631258372554, 2.6203779402513465, 5.132992241430312 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ -0.18147736, -0.2154719, 0.0906746 ], [ -0.21547179, -0.20928389, 0.60246338 ], [ 0.09067455, 0.60246342, -0.59675513 ] ]
-61.389951
-62.677951
[ [ 0.00178715, -0.00545447, -0.01519537 ], [ -0.00178715, 0.00545447, 0.01519537 ], [ 0.00731915, 0.01367501, 0.00545988 ], [ -0.00731915, -0.01367501, -0.00545988 ], [ 0.00191196, -0.01041931, -0.00115378 ], [ -0.00191196, 0.01041931, 0.00115378 ], [ 0.00017181, -0.01333888, 0.01099181 ], [ -0.00017181, 0.01333888, -0.01099181 ], [ -0.01519674, -0.01641508, -0.00124292 ], [ 0.01519674, 0.01641508, 0.00124292 ], [ -0.0000549, -0.00821268, 0.00342934 ], [ 0.0000549, 0.00821268, -0.00342934 ], [ 0.03314935, 0.00897748, -0.0091766 ], [ -0.03314935, -0.00897748, 0.0091766 ] ]
pbe
true
2
agm005266257-pbe-90
90
0
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.35806677, -0.0232272, 0.09790496 ], [ 1.38365417, 6.00703981, 0.06162945 ], [ 1.23364671, 2.887191, 7.95427773 ] ]
agm005266257
[ [ 2.052529808428971, 5.636840525838199, 1.7936169564671431 ], [ 5.922837841571029, 3.234163084161801, 6.320195183532857 ], [ 4.470773931645556, 4.124147457975438, 0.725320232507115 ], [ 3.5045937183544433, 4.746856152024563, 7.388491907492885 ], [ 1.0204449940231664, 2.6798967517699372, 3.197725527131218 ], [ 6.954922655976833, 6.1911068582300635, 4.916086612868782 ], [ 2.211486414866765, 3.768083539462875, 7.7751151655807345 ], [ 5.763881235133234, 5.102920070537125, 0.33869697441926583 ], [ 3.85169101421117, 0.8977224154055284, 2.4786351516733562 ], [ 2.7400224657888295, 1.9662413845944717, 5.573547538326643 ], [ 2.2975469357339464, 3.5841319233096884, 2.725564914997526 ], [ 5.677820714266053, 5.286871686690311, 5.388247225002474 ], [ 4.2515093873816525, 6.248933799408466, 2.982106820353003 ], [ 3.723858262618347, 2.6220698105915345, 5.131705319646997 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ -0.37035916, -0.37664674, 0.23486927 ], [ -0.37664673, -0.27056858, 0.59476897 ], [ 0.23486931, 0.59476897, -0.48142154 ] ]
-61.390164
-62.678164
[ [ 0.00289587, -0.00757657, -0.00894398 ], [ -0.00289587, 0.00757657, 0.00894398 ], [ 0.00929703, 0.01318974, 0.00440812 ], [ -0.00929703, -0.01318974, -0.00440812 ], [ 0.01320852, -0.00038893, -0.00682951 ], [ -0.01320852, 0.00038893, 0.00682951 ], [ 0.00474257, -0.00763956, 0.00754904 ], [ -0.00474257, 0.00763956, -0.00754904 ], [ -0.02032909, -0.0186805, 0.001245 ], [ 0.02032909, 0.0186805, -0.001245 ], [ -0.01096015, -0.01578366, 0.00779393 ], [ 0.01096015, 0.01578366, -0.00779393 ], [ 0.03671185, 0.01168003, -0.01161986 ], [ -0.03671185, -0.01168003, 0.01161986 ] ]
pbe
true
2
agm005266257-pbe-91
91
0
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.35774861, -0.02433524, 0.09680193 ], [ 1.3822788, 6.0121047, 0.06492525 ], [ 1.23145445, 2.89425972, 7.94963046 ] ]
agm005266257
[ [ 2.050871220526366, 5.641038956646977, 1.7953984088100048 ], [ 5.920610639473633, 3.2409902233530232, 6.3159592311899955 ], [ 4.469204808929872, 4.129663605843687, 0.727854564619442 ], [ 3.502277051070128, 4.752365574156313, 7.383503075380558 ], [ 1.0196862072781325, 2.6822879601870655, 3.198274831659748 ], [ 6.951795652721867, 6.1997412198129345, 4.913082808340252 ], [ 2.209026389478871, 3.7740441608263846, 7.771929235202092 ], [ 5.762455470521129, 5.107985019173615, 0.3394284047979081 ], [ 3.852234024741896, 0.8995410183931881, 2.472870213023282 ], [ 2.7369690352581046, 1.970383461606812, 5.5735621769767185 ], [ 2.2976732605973065, 3.588140478404888, 2.7269108663927977 ], [ 5.673808599402694, 5.293888701595112, 5.384446773607202 ], [ 4.251169322119139, 6.256576033631556, 2.98222687438807 ], [ 3.7203125378808606, 2.625453146368444, 5.12913076561193 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ -0.74044459, -0.70133361, 0.5226937 ], [ -0.70133361, -0.38407768, 0.58020962 ], [ 0.52269362, 0.58020958, -0.24545878 ] ]
-61.390443
-62.678443
[ [ 0.00484647, -0.01171722, 0.00338845 ], [ -0.00484647, 0.01171722, -0.00338845 ], [ 0.01333219, 0.01257064, 0.00284985 ], [ -0.01333219, -0.01257064, -0.00284985 ], [ 0.03608355, 0.01891526, -0.01808406 ], [ -0.03608355, -0.01891526, 0.01808406 ], [ 0.01360478, 0.00429485, 0.00054727 ], [ -0.01360478, -0.00429485, -0.00054727 ], [ -0.03046201, -0.02291365, 0.00643423 ], [ 0.03046201, 0.02291365, -0.00643423 ], [ -0.03298543, -0.03083499, 0.01561885 ], [ 0.03298543, 0.03083499, -0.01561885 ], [ 0.04370372, 0.01710391, -0.01669758 ], [ -0.04370372, -0.01710391, 0.01669758 ] ]
pbe
true
2
agm005266257-pbe-92
92
0
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.35744391, -0.02476705, 0.09678297 ], [ 1.38170319, 6.01279608, 0.06577586 ], [ 1.23114386, 2.8956794, 7.94883451 ] ]
agm005266257
[ [ 2.0503154810484667, 5.641554377984657, 1.7959820395756765 ], [ 5.919975478951533, 3.242154052015343, 6.315411300424325 ], [ 4.468630414352149, 4.13043710276495, 0.7286094532925955 ], [ 3.501660545647851, 4.753271327235051, 7.382783886707405 ], [ 1.0196926469766106, 2.6828249795452073, 3.198354732453168 ], [ 6.95059831302339, 6.200883450454794, 4.913038607546833 ], [ 2.2086533070826384, 3.7752203112995657, 7.771462659466453 ], [ 5.761637652917361, 5.108488118700436, 0.33993068053354814 ], [ 3.8520196960636723, 0.8996314382278593, 2.4720103463903365 ], [ 2.736568073936327, 1.9712809117721406, 5.573607133609664 ], [ 2.2973324717841703, 3.588588139686198, 2.7274039499629503 ], [ 5.672958488215828, 5.295120290313802, 5.38398939003705 ], [ 4.250972757539297, 6.257792806692567, 2.98248210008034 ], [ 3.7193182024607028, 2.6259156233074323, 5.12891123991966 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ -0.10642669, -0.27202273, 0.29016676 ], [ -0.27202272, -0.08063625, 0.38626082 ], [ 0.29016674, 0.38626086, -0.11428705 ] ]
-61.390566
-62.678566
[ [ 0.00537341, -0.01174372, 0.00509552 ], [ -0.00537341, 0.01174372, -0.00509552 ], [ 0.00727416, 0.00883829, 0.00476595 ], [ -0.00727416, -0.00883829, -0.00476595 ], [ 0.02759614, 0.01204797, -0.01405861 ], [ -0.02759614, -0.01204797, 0.01405861 ], [ 0.0092349, 0.00170878, 0.00041537 ], [ -0.0092349, -0.00170878, -0.00041537 ], [ -0.0046071, -0.00569367, -0.00369771 ], [ 0.0046071, 0.00569367, 0.00369771 ], [ -0.02433207, -0.02313734, 0.01165009 ], [ 0.02433207, 0.02313734, -0.01165009 ], [ 0.01647225, -0.00015512, -0.00569232 ], [ -0.01647225, 0.00015512, 0.00569232 ] ]
pbe
true
2
agm005266257-pbe-93
93
0
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.35698084, -0.02542329, 0.09675416 ], [ 1.38082839, 6.0138468, 0.0670686 ], [ 1.23067182, 2.89783698, 7.94762483 ] ]
agm005266257
[ [ 2.0494709312434916, 5.642337651357728, 1.7968689555071156 ], [ 5.919010118756509, 3.2439228386422716, 6.314578634492884 ], [ 4.467757359887939, 4.131612806833067, 0.729756837857649 ], [ 3.5007236901120615, 4.754647683166933, 7.38169075214235 ], [ 1.0197024101441827, 2.6836410172648675, 3.198475964652692 ], [ 6.948778639855817, 6.202619472735131, 4.912971625347307 ], [ 2.2080863045103305, 3.777007741968748, 7.770753409727426 ], [ 5.760394745489671, 5.109252748031251, 0.34069418027257303 ], [ 3.851693947869738, 0.8997686566864431, 2.47070368448816 ], [ 2.735958712130263, 1.972645033313557, 5.5736753055118395 ], [ 2.2968145563163658, 3.589268472822522, 2.7281531067314146 ], [ 5.6716664936836345, 5.296992017177478, 5.383294483268585 ], [ 4.250673894691146, 6.259641842344571, 2.9828700359077494 ], [ 3.717807155308855, 2.6266186476554276, 5.128577554092249 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ 0.85461372, 0.3786555, -0.06420806 ], [ 0.37865554, 0.36835285, 0.08466913 ], [ -0.064208, 0.08466911, 0.09376379 ] ]
-61.39064
-62.67864
[ [ 0.00618026, -0.01389772, 0.00894064 ], [ -0.00618026, 0.01389772, -0.00894064 ], [ -0.00119594, 0.000497, 0.00657864 ], [ 0.00119594, -0.000497, -0.00657864 ], [ 0.01336062, 0.00238802, -0.00911646 ], [ -0.01336062, -0.00238802, 0.00911646 ], [ 0.00213183, -0.00202336, 0.00075864 ], [ -0.00213183, 0.00202336, -0.00075864 ], [ 0.0352368, 0.02057262, -0.02103472 ], [ -0.0352368, -0.02057262, 0.02103472 ], [ -0.01098637, -0.01224407, 0.00646132 ], [ 0.01098637, 0.01224407, -0.00646132 ], [ -0.02411646, -0.02591505, 0.01184382 ], [ 0.02411646, 0.02591505, -0.01184382 ] ]
pbe
true
2
agm005266257-pbe-94
94
0
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.35707754, -0.02565531, 0.09670843 ], [ 1.38058151, 6.01471651, 0.06789276 ], [ 1.23051975, 2.899337, 7.94696326 ] ]
agm005266257
[ [ 2.049314225828424, 5.642964315292348, 1.7975183095490257 ], [ 5.918864574171576, 3.245433884707652, 6.314046140450975 ], [ 4.467659344798803, 4.132606513167591, 0.7305159403744865 ], [ 3.5005194552011965, 4.75579168683241, 7.381048509625514 ], [ 1.0199457399306986, 2.6842933933269535, 3.198521934460846 ], [ 6.948233060069302, 6.2041048066730475, 4.9130425155391535 ], [ 2.207989944762863, 3.778323659976171, 7.770402207694084 ], [ 5.760188855237136, 5.11007454002383, 0.3411622423059165 ], [ 3.8520415086482083, 0.9001687758347772, 2.469757848582355 ], [ 2.735555781351791, 1.9735129141652226, 5.573913841417644 ], [ 2.296679641454443, 3.589795771190625, 2.7286918271798095 ], [ 5.671499158545556, 5.298602428809375, 5.382872622820191 ], [ 4.250798112349024, 6.260927497356829, 2.9832381234787926 ], [ 3.7173806876509756, 2.6274707026431705, 5.128326326521208 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ 0.94305602, 0.48639631, -0.11234912 ], [ 0.48639635, 0.44888164, 0.01962168 ], [ -0.11234907, 0.01962166, 0.11363851 ] ]
-61.390715
-62.678715
[ [ 0.00636076, -0.01311499, 0.00972611 ], [ -0.00636076, 0.01311499, -0.00972611 ], [ -0.00336917, -0.00107509, 0.00726935 ], [ 0.00336917, 0.00107509, -0.00726935 ], [ 0.00472393, -0.00439768, -0.00527529 ], [ -0.00472393, 0.00439768, 0.00527529 ], [ 0.00029844, -0.00236429, 0.0000435 ], [ -0.00029844, 0.00236429, -0.0000435 ], [ 0.02939236, 0.01689443, -0.01768476 ], [ -0.02939236, -0.01689443, 0.01768476 ], [ -0.0020846, -0.00497448, 0.0025081 ], [ 0.0020846, 0.00497448, -0.0025081 ], [ -0.01942427, -0.02209915, 0.0088599 ], [ 0.01942427, 0.02209915, -0.0088599 ] ]
pbe
true
2
agm005266257-pbe-95
95
0
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.35736765, -0.02635138, 0.09657126 ], [ 1.37984089, 6.01732563, 0.07036522 ], [ 1.23006355, 2.90383704, 7.94497855 ] ]
agm005266257
[ [ 2.048844352793048, 5.644843709923639, 1.799465507191094 ], [ 5.918427737206952, 3.249967580076361, 6.3124495228089055 ], [ 4.467365082713657, 4.135588487209797, 0.732793212941858 ], [ 3.4999070072863416, 4.759222802790202, 7.379121817058142 ], [ 1.0206759490993642, 2.686250159913562, 3.1986594614280106 ], [ 6.946596140900636, 6.208561130086439, 4.913255568571989 ], [ 2.207700950402397, 3.782271051093728, 7.769348061626099 ], [ 5.759571139597603, 5.112540238906273, 0.3425669683739016 ], [ 3.8530842476030487, 0.9013682903830103, 2.4669215614658486 ], [ 2.7343469523969506, 1.9761173696169898, 5.574628248534151 ], [ 2.296275110250164, 3.5913777581635973, 2.7303070556567457 ], [ 5.670996979749835, 5.3034335318364025, 5.381607974343254 ], [ 4.251170725375604, 6.2647843860040275, 2.9843425812795714 ], [ 3.7161013646243957, 2.6300269039959727, 5.127572448720429 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ 1.20962107, 0.81097398, -0.25651406 ], [ 0.81097392, 0.69255413, -0.18124626 ], [ -0.25651407, -0.18124632, 0.18813015 ] ]
-61.390819
-62.678819
[ [ 0.00700985, -0.01325447, 0.01367349 ], [ -0.00700985, 0.01325447, -0.01367349 ], [ -0.00909516, -0.00793991, 0.00812108 ], [ 0.00909516, 0.00793991, -0.00812108 ], [ -0.02285628, -0.02400834, 0.00580519 ], [ 0.02285628, 0.02400834, -0.00580519 ], [ -0.0051989, -0.00349406, -0.00168922 ], [ 0.0051989, 0.00349406, 0.00168922 ], [ 0.01366759, 0.00605438, -0.00995132 ], [ -0.01366759, -0.00605438, 0.00995132 ], [ 0.02444952, 0.01596911, -0.00758681 ], [ -0.02444952, -0.01596911, 0.00758681 ], [ -0.00457517, -0.01103521, 0.00083672 ], [ 0.00457517, 0.01103521, -0.00083672 ] ]
pbe
true
2
agm005266257-pbe-96
96
0
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.35833257, -0.02604071, 0.09633979 ], [ 1.38043024, 6.01901058, 0.07110599 ], [ 1.23013147, 2.90574085, 7.94431934 ] ]
agm005266257
[ [ 2.0496260490919624, 5.646094812116187, 1.8001979870404115 ], [ 5.919268230908037, 3.252615907883813, 6.311567132959589 ], [ 4.468287312403525, 4.137464376137512, 0.7335121753152609 ], [ 3.5006069675964744, 4.761246343862489, 7.378252944684738 ], [ 1.0210281016708622, 2.6869869959477177, 3.198760036760632 ], [ 6.9478661783291376, 6.211723724052282, 4.9130050832393675 ], [ 2.208028947356798, 3.784116505897289, 7.768960465423792 ], [ 5.760865332643202, 5.11459421410271, 0.34280465457620857 ], [ 3.8542697007813294, 0.902329944173805, 2.4656460955898916 ], [ 2.7341943392186705, 1.977370195826195, 5.575013034410109 ], [ 2.2970721388346984, 3.59267354290818, 2.73073028854698 ], [ 5.671822141165301, 5.306037177091819, 5.381034831453019 ], [ 4.252514895431011, 6.267072244793519, 2.984547349354853 ], [ 3.7163793845689885, 2.63163847520648, 5.127217770645147 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ 0.3153814, 0.2342434, 0.05395184 ], [ 0.2342434, 0.30861294, 0.00623313 ], [ 0.0539519, 0.00623314, 0.03173998 ] ]
-61.390899
-62.678899
[ [ 0.00615311, -0.01200304, 0.0124986 ], [ -0.00615311, 0.01200304, -0.0124986 ], [ 0.00066137, -0.00127584, 0.00524216 ], [ -0.00066137, 0.00127584, -0.00524216 ], [ -0.01197949, -0.0151919, 0.00179405 ], [ 0.01197949, 0.0151919, -0.00179405 ], [ 0.00274872, 0.00341694, -0.00543425 ], [ -0.00274872, -0.00341694, 0.00543425 ], [ -0.02186137, -0.01742854, 0.00607958 ], [ 0.02186137, 0.01742854, -0.00607958 ], [ 0.01423149, 0.00787009, -0.00306883 ], [ -0.01423149, -0.00787009, 0.00306883 ], [ 0.03024556, 0.01171385, -0.01505828 ], [ -0.03024556, -0.01171385, 0.01505828 ] ]
pbe
true
2
agm005266257-pbe-97
97
0
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.35873244, -0.02591197, 0.09624386 ], [ 1.38067448, 6.01970885, 0.07141297 ], [ 1.23015961, 2.90652981, 7.94404615 ] ]
agm005266257
[ [ 2.049950010909309, 5.646613317031308, 1.8005015345680218 ], [ 5.919616519090691, 3.253713372968692, 6.311201445431979 ], [ 4.468669509440311, 4.138241790491444, 0.7338101070951604 ], [ 3.50089702055969, 4.762084899508556, 7.377892872904839 ], [ 1.0211740331640058, 2.6872923336155896, 3.1988017416652617 ], [ 6.948392496835995, 6.21303435638441, 4.912901238334738 ], [ 2.208164841795831, 3.7848812731315897, 7.768799824290397 ], [ 5.7614016882041685, 5.11544541686841, 0.34290315570960217 ], [ 3.8547609958997495, 0.9027284491326377, 2.4651175140550445 ], [ 2.7341310541002506, 1.977889390867362, 5.575172495944956 ], [ 2.2974024424975186, 3.5932105592380186, 2.7309057030465613 ], [ 5.67216408750248, 5.3071161307619805, 5.380797276953439 ], [ 4.253071952301266, 6.268020402643582, 2.9846322296388106 ], [ 3.716494577698734, 2.632306287356417, 5.12707075036119 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ -0.05725024, -0.00466796, 0.18305636 ], [ -0.004668, 0.14642411, 0.08408569 ], [ 0.18305647, 0.08408578, -0.03548897 ] ]
-61.390908
-62.678908
[ [ 0.00575607, -0.01080965, 0.01137452 ], [ -0.00575607, 0.01080965, -0.01137452 ], [ 0.00424575, 0.00235298, 0.00472955 ], [ -0.00424575, -0.00235298, -0.00472955 ], [ -0.0072461, -0.01238664, 0.00031638 ], [ 0.0072461, 0.01238664, -0.00031638 ], [ 0.00606393, 0.00620123, -0.0069599 ], [ -0.00606393, -0.00620123, 0.0069599 ], [ -0.03677922, -0.02695786, 0.01312501 ], [ 0.03677922, 0.02695786, -0.01312501 ], [ 0.00960612, 0.00467057, -0.00180616 ], [ -0.00960612, -0.00467057, 0.00180616 ], [ 0.04442039, 0.0214032, -0.02189141 ], [ -0.04442039, -0.0214032, 0.02189141 ] ]
pbe
true
2
agm005266257-pbe-98
98
0
[ "Ca", "Cl", "O" ]
14
A4B2C
CaCl2O4
Ca2 Cl4 O8
3
[ 1, 1, 1 ]
3
[ [ 5.35956584, -0.02563491, 0.09615274 ], [ 1.38119346, 6.02133067, 0.07217008 ], [ 1.23038526, 2.90837309, 7.94347622 ] ]
agm005266257
[ [ 2.0507363452713814, 5.6477412700041, 1.8013746421131138 ], [ 5.920408214728618, 3.256327579995901, 6.310424397886886 ], [ 4.469527187105672, 4.140032150453852, 0.7346434109521784 ], [ 3.5016173728943287, 4.764036699546148, 7.377155629047821 ], [ 1.0214761848930025, 2.6879035767832553, 3.1989316025309615 ], [ 6.949668375106998, 6.216165273216745, 4.912867437469038 ], [ 2.208677384067293, 3.7867506833472033, 7.76843181405684 ], [ 5.762467175932707, 5.1173181666527965, 0.34336722594315916 ], [ 3.8554666571451914, 0.903347621695297, 2.4641923952454614 ], [ 2.7344844428548085, 1.979390558304703, 5.575436564754538 ], [ 2.298263060311576, 3.5945151562730255, 2.731342539051761 ], [ 5.672881499688424, 5.309553693726975, 5.380456500948238 ], [ 4.254782838204396, 6.2704426594645275, 2.98472984227948 ], [ 3.7163617217956038, 2.6336261905354723, 5.12706919772052 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ca", "Ca", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ [ -0.20960039, -0.14647196, 0.20045008 ], [ -0.146472, 0.04313941, 0.09514126 ], [ 0.20045003, 0.09514133, -0.09893044 ] ]
-61.391013
-62.679013
[ [ 0.00477751, -0.0113167, 0.00981061 ], [ -0.00477751, 0.0113167, -0.00981061 ], [ 0.00974959, 0.00523616, 0.00241508 ], [ -0.00974959, -0.00523616, -0.00241508 ], [ 0.00374749, -0.00230693, -0.00412357 ], [ -0.00374749, 0.00230693, 0.00412357 ], [ 0.00929633, 0.00883834, -0.00904326 ], [ -0.00929633, -0.00883834, 0.00904326 ], [ -0.02344257, -0.01846485, 0.00656367 ], [ 0.02344257, 0.01846485, -0.00656367 ], [ -0.00115171, -0.00399655, 0.00328083 ], [ 0.00115171, 0.00399655, -0.00328083 ], [ 0.03049161, 0.01239482, -0.01586174 ], [ -0.03049161, -0.01239482, 0.01586174 ] ]
pbe
true
2
agm005266257-pbe-99
99
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.92263961, 6.3698144, 0 ], [ -2.92263961, 6.3698144, 0 ], [ 0, 1.58434103, 8.63632156 ] ]
agm005266261
[ [ 0, 12.04315668863346, 3.9124436657543202 ], [ 0, 2.0270982639466197, 5.25152259627544 ], [ 0, 12.349948821637831, 8.118841808446362 ], [ 0, 6.11261968421679, 1.63669520780028 ], [ 0, 8.67324470702875, 6.8603915760094 ], [ 0, 1.6686938844931902, 0.33399246368988 ], [ 0, 3.1896326693631, 2.7574911108924005 ], [ 0, 5.2678014129606705, 5.992821257378041 ], [ 0, 9.117521369607, 2.5378694536216004 ], [ -1.5997798565237502, 10.52393248839774, 7.110957173429681 ], [ -1.6003117769327706, 7.84137334367184, 2.57887470838848 ], [ -1.48718808818811, 7.898787447247181, 8.512528526758961 ], [ 1.3633353894351403, 6.618917647957291, 6.109187054077481 ], [ 1.6003117769327706, 7.84137334367184, 2.57887470838848 ], [ 1.48718808818811, 7.898787447247181, 8.512528526758961 ], [ -1.3633353894351403, 6.618917647957291, 6.109187054077481 ], [ 1.5089003778508001, 3.96924228739876, 1.59955038877072 ], [ 0, 4.60514195095211, 4.19722636919532 ], [ 0, 9.24794230256848, 4.46477097480256 ], [ -1.5089003778508001, 3.96924228739876, 1.59955038877072 ], [ 1.5997798565237502, 10.52393248839774, 7.110957173429681 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -4.29079121, 0, 0 ], [ 0, 0.36611901, -0.41948618 ], [ 0, -0.4194862, 0.43913362 ] ]
-158.351562
-166.595562
[ [ 0, -0.00257689, 0.00380459 ], [ 0, 0.00999838, -0.01269451 ], [ 0, -0.01199534, -0.0134309 ], [ 0, -0.0180387, -0.03504512 ], [ 0, 0.01969977, -0.00633846 ], [ 0, 0.04781898, -0.01643498 ], [ 0, 0.00332197, -0.01827611 ], [ 0, 0.14151885, 0.08684713 ], [ 0, 0.00963175, 0.03951223 ], [ -0.14239306, -0.01425242, -0.0445097 ], [ -0.06283415, 0.03086419, 0.0072867 ], [ -0.0802043, -0.0475672, 0.02424207 ], [ -0.11209782, -0.09391696, 0.0005441 ], [ 0.06283415, 0.03086419, 0.0072867 ], [ 0.0802043, -0.0475672, 0.02424207 ], [ 0.11209782, -0.09391696, 0.0005441 ], [ -0.00210683, -0.00594285, 0.01888879 ], [ 0, 0.01856382, 0.00805379 ], [ 0, 0.04368789, -0.04890156 ], [ 0.00210683, -0.00594285, 0.01888879 ], [ 0.14239306, -0.01425242, -0.0445097 ] ]
pbe
true
8
agm005266261-pbe-0
0
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91685765, 6.37088965, -0.00123199 ], [ -2.91685765, 6.37088965, -0.00123199 ], [ 0, 1.58293812, 8.63776372 ] ]
agm005266261
[ [ 0, 12.044308554056668, 3.9110901229500623 ], [ 0, 2.0269072880396646, 5.2515811861892185 ], [ 0, 12.349884656265287, 8.117449008992455 ], [ 0, 6.11246496052106, 1.6341535219319536 ], [ 0, 8.674332463936722, 6.859797037626426 ], [ 0, 1.6712184320587125, 0.3329438362637768 ], [ 0, 3.189798275038733, 2.756550617152471 ], [ 0, 5.274359104512587, 5.997205036212006 ], [ 0, 9.119033910468781, 2.5385263729891094 ], [ -1.603470796726463, 10.523646374165368, 7.108213931568805 ], [ -1.6001711015099, 7.843687365518722, 2.5782315271747303 ], [ -1.488107559902985, 7.896178996963858, 8.513894552543354 ], [ 1.3552410478734225, 6.614321788369862, 6.109170942632569 ], [ 1.6001711015099, 7.843687365518722, 2.5782315271747303 ], [ 1.488107559902985, 7.896178996963858, 8.513894552543354 ], [ -1.3552410478734225, 6.614321788369862, 6.109170942632569 ], [ 1.5058138484015091, 3.969316031761818, 1.6000180127966848 ], [ 0, 4.606003140153319, 4.197573947963927 ], [ 0, 9.250748286560542, 4.4615262331896055 ], [ -1.5058138484015091, 3.969316031761818, 1.6000180127966848 ], [ 1.603470796726463, 10.523646374165368, 7.108213931568805 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 3.85261614, 0, 0 ], [ 0, 3.24313006, -0.66514022 ], [ 0, -0.66514021, 1.33845826 ] ]
-158.352937
-166.596937
[ [ 0, -0.00486508, 0.00254949 ], [ 0, 0.02269273, -0.01250287 ], [ 0, -0.03780641, 0.02035811 ], [ 0, -0.02661547, -0.00683469 ], [ 0, 0.05975487, 0.02878793 ], [ 0, 0.06458753, -0.00684407 ], [ 0, 0.02795215, 0.02574825 ], [ 0, -0.29944301, -0.20803393 ], [ 0, -0.00737409, -0.03699673 ], [ 0.02208939, -0.05606239, 0.02099773 ], [ -0.01694081, 0.01997289, 0.01273045 ], [ -0.0267998, -0.04881257, -0.01084645 ], [ 0.15058077, 0.14203114, 0.03818831 ], [ 0.01694081, 0.01997289, 0.01273045 ], [ 0.0267998, -0.04881257, -0.01084645 ], [ -0.15058077, 0.14203114, 0.03818831 ], [ 0.00158753, 0.00495771, 0.0015641 ], [ 0, 0.04168405, 0.03998093 ], [ 0, 0.03525916, 0.02851931 ], [ -0.00158753, 0.00495771, 0.0015641 ], [ -0.02208939, -0.05606239, 0.02099773 ] ]
pbe
true
8
agm005266261-pbe-1
1
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91822988, 6.37353854, -0.00472241 ], [ -2.91822988, 6.37353854, -0.00472241 ], [ 0, 1.57886839, 8.64415201 ] ]
agm005266261
[ [ 0, 12.04762298786321, 3.908291244721586 ], [ 0, 2.027006130151406, 5.251575492871411 ], [ 0, 12.348197544955411, 8.117028872397576 ], [ 0, 6.108728384033878, 1.6242972190461615 ], [ 0, 8.675557935755734, 6.867062738925707 ], [ 0, 1.6767796678946516, 0.3312884137246901 ], [ 0, 3.1950460722509826, 2.76014895285106 ], [ 0, 5.268124415186707, 5.9946931473533605 ], [ 0, 9.121680155594012, 2.535730081253128 ], [ -1.606313110736391, 10.51424551916185, 7.102172930985995 ], [ -1.6013627131148556, 7.8519347692963155, 2.5781996409949097 ], [ -1.4928443078698206, 7.8878869463688295, 8.51906380646036 ], [ 1.3609598402517182, 6.61352462133701, 6.1157721214631655 ], [ 1.6013627131148556, 7.8519347692963155, 2.5781996409949097 ], [ 1.4928443078698206, 7.8878869463688295, 8.51906380646036 ], [ -1.3609598402517182, 6.61352462133701, 6.1157721214631655 ], [ 1.5069742602195855, 3.97070252278011, 1.6016086759481454 ], [ 0, 4.612138304490303, 4.195846856664872 ], [ 0, 9.263843863800608, 4.459001717700839 ], [ -1.5069742602195855, 3.97070252278011, 1.6016086759481454 ], [ 1.606313110736391, 10.51424551916185, 7.102172930985995 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.66421507, 0, 0 ], [ 0, 0.1386831, -0.08384224 ], [ 0, -0.08384223, 0.04074931 ] ]
-158.357436
-166.601436
[ [ 0, 0.00918431, 0.00137901 ], [ 0, -0.00408967, 0.00404114 ], [ 0, -0.00580812, -0.00948365 ], [ 0, 0.01174078, 0.03021563 ], [ 0, -0.00423556, -0.01395435 ], [ 0, -0.01801402, -0.00211477 ], [ 0, -0.00683016, -0.00291399 ], [ 0, -0.00959632, -0.01071191 ], [ 0, -0.02005769, -0.00154174 ], [ -0.00610472, -0.01214947, -0.00153951 ], [ 0.00608153, -0.00043824, -0.00291354 ], [ -0.00345931, 0.00844475, 0.0011265 ], [ -0.00156281, 0.0020892, 0.00588905 ], [ -0.00608153, -0.00043824, -0.00291354 ], [ 0.00345931, 0.00844475, 0.0011265 ], [ 0.00156281, 0.0020892, 0.00588905 ], [ -0.00766593, 0.01089687, -0.00237588 ], [ 0, 0.01529646, -0.00185998 ], [ 0, 0.01472378, 0.0065714 ], [ 0.00766593, 0.01089687, -0.00237588 ], [ 0.00610472, -0.01214947, -0.00153951 ] ]
pbe
true
8
agm005266261-pbe-10
10
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91758557, 6.37400445, -0.00507315 ], [ -2.91758557, 6.37400445, -0.00507315 ], [ 0, 1.57850863, 8.64485343 ] ]
agm005266261
[ [ 0, 12.04889473325381, 3.9080397734365784 ], [ 0, 2.0268831492380732, 5.251780808073937 ], [ 0, 12.347892965043645, 8.116487332539789 ], [ 0, 6.108688421821079, 1.6250838729222878 ], [ 0, 8.675472786682647, 6.867008286278262 ], [ 0, 1.6761780976868574, 0.3310579909514975 ], [ 0, 3.195469281243783, 2.7603907553400706 ], [ 0, 5.267497336947567, 5.9949035443224465 ], [ 0, 9.121972519552912, 2.535691238212023 ], [ -1.6061184273704716, 10.51290830126497, 7.100897193267378 ], [ -1.600487954034063, 7.852556723260972, 2.578110136357499 ], [ -1.4925432981703373, 7.8879947531758585, 8.51981489456081 ], [ 1.3609093937985635, 6.613130209532377, 6.116809962017522 ], [ 1.600487954034063, 7.852556723260972, 2.578110136357499 ], [ 1.4925432981703373, 7.8879947531758585, 8.51981489456081 ], [ -1.3609093937985635, 6.613130209532377, 6.116809962017522 ], [ 1.5063116178820128, 3.9718534463709267, 1.601496724135823 ], [ 0, 4.614297131414808, 4.195493505309583 ], [ 0, 9.266615571623793, 4.4591930542223945 ], [ -1.5063116178820128, 3.9718534463709267, 1.601496724135823 ], [ 1.6061184273704716, 10.51290830126497, 7.100897193267378 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.29318659, 0, 0 ], [ 0, 0.0215066, 0.09569441 ], [ 0, 0.09569429, -0.18279504 ] ]
-158.357604
-166.601604
[ [ 0, 0.00685635, 0.00071823 ], [ 0, -0.00436637, 0.00483552 ], [ 0, 0.00260307, -0.00482154 ], [ 0, 0.01026794, 0.01662191 ], [ 0, -0.00986804, -0.00686771 ], [ 0, -0.01141792, -0.00319442 ], [ 0, -0.00263083, -0.00661508 ], [ 0, -0.00195871, -0.00549056 ], [ 0, 0.00671048, -0.00371266 ], [ -0.00454706, -0.00756983, 0.00274493 ], [ -0.00243361, -0.00048015, -0.00045383 ], [ -0.0014946, 0.00425016, 0.00146248 ], [ -0.00027138, 0.00253339, 0.00413943 ], [ 0.00243361, -0.00048015, -0.00045383 ], [ 0.0014946, 0.00425016, 0.00146248 ], [ 0.00027138, 0.00253339, 0.00413943 ], [ -0.00195801, -0.0017501, 0.00476693 ], [ 0, 0.00380853, -0.01233268 ], [ 0, 0.00602857, -0.00446089 ], [ 0.00195801, -0.0017501, 0.00476693 ], [ 0.00454706, -0.00756983, 0.00274493 ] ]
pbe
true
8
agm005266261-pbe-11
11
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91727226, 6.37423101, -0.00524371 ], [ -2.91727226, 6.37423101, -0.00524371 ], [ 0, 1.57833369, 8.64519452 ] ]
agm005266261
[ [ 0, 12.049513218732951, 3.9079175255927785 ], [ 0, 2.0268233616672156, 5.251880619664969 ], [ 0, 12.347744832597602, 8.116223958470203 ], [ 0, 6.108669009662705, 1.6254664903887892 ], [ 0, 8.675431332735087, 6.866981774688745 ], [ 0, 1.6758855111356596, 0.3309459296141666 ], [ 0, 3.195674967632668, 2.760508366323092 ], [ 0, 5.267192436949016, 5.995005925143234 ], [ 0, 9.12211467871056, 2.5356723008125335 ], [ -1.6060237552013463, 10.51225795118167, 7.100276788068205 ], [ -1.60006257189254, 7.852859143057695, 2.578066566803997 ], [ -1.4923969050287473, 7.888047145154183, 8.52018009419492 ], [ 1.3608848712572623, 6.612938362614435, 6.117314661263568 ], [ 1.60006257189254, 7.852859143057695, 2.578066566803997 ], [ 1.4923969050287473, 7.888047145154183, 8.52018009419492 ], [ -1.3608848712572623, 6.612938362614435, 6.117314661263568 ], [ 1.5059894100152103, 3.9724132383203505, 1.6014423567150022 ], [ 0, 4.615346941186062, 4.195321755274906 ], [ 0, 9.267963518420824, 4.459286060419716 ], [ -1.5059894100152103, 3.9724132383203505, 1.6014423567150022 ], [ 1.6060237552013463, 10.51225795118167, 7.100276788068205 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.11182002, 0, 0 ], [ 0, -0.03418999, 0.18144588 ], [ 0, 0.18144585, -0.29048032 ] ]
-158.357626
-166.601626
[ [ 0, 0.00498898, 0.00030105 ], [ 0, -0.00418009, 0.00630862 ], [ 0, 0.00658826, -0.00274258 ], [ 0, 0.00942901, 0.00863323 ], [ 0, -0.01201326, -0.00218478 ], [ 0, -0.0083256, -0.00436113 ], [ 0, -0.00031795, -0.00850118 ], [ 0, 0.00120858, -0.00300183 ], [ 0, 0.01965509, -0.00476289 ], [ -0.00357789, -0.00578359, 0.00455009 ], [ -0.00667406, -0.00130056, 0.00017304 ], [ -0.00024629, 0.00249741, 0.00196079 ], [ 0.00044215, 0.00228263, 0.00370788 ], [ 0.00667406, -0.00130056, 0.00017304 ], [ 0.00024629, 0.00249741, 0.00196079 ], [ -0.00044215, 0.00228263, 0.00370788 ], [ 0.00038035, -0.00708489, 0.00773302 ], [ 0, -0.00103327, -0.01715647 ], [ 0, 0.00277824, -0.00878168 ], [ -0.00038035, -0.00708489, 0.00773302 ], [ 0.00357789, -0.00578359, 0.00455009 ] ]
pbe
true
8
agm005266261-pbe-12
12
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91683426, 6.37429853, -0.00475005 ], [ -2.91683426, 6.37429853, -0.00475005 ], [ 0, 1.57901917, 8.64425723 ] ]
agm005266261
[ [ 0, 12.05047404235527, 3.9084097452663182 ], [ 0, 2.0270185785429273, 5.2516903677582585 ], [ 0, 12.34857597152397, 8.115784633621056 ], [ 0, 6.109240918139267, 1.626626869395568 ], [ 0, 8.675228557214314, 6.8666040046877885 ], [ 0, 1.6751673281311559, 0.33071706789895206 ], [ 0, 3.196041627671963, 2.7599964072506697 ], [ 0, 5.267507030564642, 5.994487789658246 ], [ 0, 9.123440802235887, 2.5358871481472747 ], [ -1.6060521710397329, 10.511897305549542, 7.099939419447938 ], [ -1.599995306362158, 7.853144128088412, 2.578411032706275 ], [ -1.49219844598219, 7.888933404909266, 8.520022697716223 ], [ 1.3608065548961745, 6.613395119632084, 6.1176285259252765 ], [ 1.599995306362158, 7.853144128088412, 2.578411032706275 ], [ 1.49219844598219, 7.888933404909266, 8.520022697716223 ], [ -1.3608065548961745, 6.613395119632084, 6.1176285259252765 ], [ 1.5056523148380976, 3.9725549527305692, 1.601980901638172 ], [ 0, 4.616487093581117, 4.19398673745667 ], [ 0, 9.269508065931507, 4.459071265377588 ], [ -1.5056523148380976, 3.9725549527305692, 1.601980901638172 ], [ 1.6060521710397329, 10.511897305549542, 7.099939419447938 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.34704738, 0, 0 ], [ 0, 0.16934901, 0.10680177 ], [ 0, 0.10680164, -0.08208602 ] ]
-158.357708
-166.601708
[ [ 0, 0.00563271, -0.00016323 ], [ 0, -0.00040932, 0.00343365 ], [ 0, 0.00353964, -0.00136343 ], [ 0, 0.01164915, 0.0091192 ], [ 0, -0.00679657, 0.00041934 ], [ 0, 0.00008287, 0.00359413 ], [ 0, -0.0059318, -0.00552021 ], [ 0, -0.00871658, -0.0071578 ], [ 0, 0.00459546, -0.00492426 ], [ -0.00146167, 0.00016633, -0.00113952 ], [ -0.0007003, -0.000734, 0.00124411 ], [ 0.00153092, -0.0044371, 0.00095744 ], [ -0.00014218, -0.00013782, 0.0026092 ], [ 0.0007003, -0.000734, 0.00124411 ], [ -0.00153092, -0.0044371, 0.00095744 ], [ 0.00014218, -0.00013782, 0.0026092 ], [ 0.00111695, 0.00063778, 0.00058561 ], [ 0, 0.00372139, -0.00438422 ], [ 0, 0.0016427, -0.00156686 ], [ -0.00111695, 0.00063778, 0.00058561 ], [ 0.00146167, 0.00016633, -0.00113952 ] ]
pbe
true
8
agm005266261-pbe-13
13
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91653707, 6.37434435, -0.00441509 ], [ -2.91653707, 6.37434435, -0.00441509 ], [ 0, 1.57948429, 8.64362124 ] ]
agm005266261
[ [ 0, 12.05112598283189, 3.9087438408119732 ], [ 0, 2.027150954139013, 5.251561293725199 ], [ 0, 12.349139774076232, 8.115486457753677 ], [ 0, 6.1096291245249486, 1.6274142617781093 ], [ 0, 8.675090821371228, 6.866347608859659 ], [ 0, 1.6746801228557175, 0.3305617287998072 ], [ 0, 3.1962905312265, 2.7596491271449546 ], [ 0, 5.267720408253266, 5.994136179607673 ], [ 0, 9.124340707211848, 2.536032915545952 ], [ -1.6060714590264078, 10.511652601608914, 7.099710404225931 ], [ -1.5999496477164774, 7.8533374180415825, 2.578644668038892 ], [ -1.4920637916371422, 7.889534749883423, 8.519915834370103 ], [ 1.3607533889302825, 6.613705026553786, 6.117841506962609 ], [ 1.5999496477164774, 7.8533374180415825, 2.578644668038892 ], [ 1.4920637916371422, 7.889534749883423, 8.519915834370103 ], [ -1.3607533889302825, 6.613705026553786, 6.117841506962609 ], [ 1.5054236313244325, 3.9726510664743744, 1.6023462263755508 ], [ 0, 4.6172606181236375, 4.1930810454398095 ], [ 0, 9.27055605847329, 4.458925553100099 ], [ -1.5054236313244325, 3.9726510664743744, 1.6023462263755508 ], [ 1.6060714590264078, 10.511652601608914, 7.099710404225931 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.65873002, 0, 0 ], [ 0, 0.29441048, 0.04405719 ], [ 0, 0.04405709, 0.06480198 ] ]
-158.357712
-166.601712
[ [ 0, 0.00528893, -0.00047079 ], [ 0, 0.0026413, 0.0006891 ], [ 0, 0.00118891, 0.00035096 ], [ 0, 0.01319912, 0.00889091 ], [ 0, -0.00232166, 0.00185326 ], [ 0, 0.00654189, 0.00974256 ], [ 0, -0.0098384, -0.0030037 ], [ 0, -0.01515583, -0.01029928 ], [ 0, -0.00764894, -0.00491939 ], [ 0.00049423, 0.00444259, -0.00466033 ], [ 0.00355271, -0.00026908, 0.0022246 ], [ 0.00303608, -0.00916999, 0.00060029 ], [ -0.00034746, -0.0014057, 0.00152523 ], [ -0.00355271, -0.00026908, 0.0022246 ], [ -0.00303608, -0.00916999, 0.00060029 ], [ 0.00034746, -0.0014057, 0.00152523 ], [ 0.00144154, 0.00606489, -0.00449331 ], [ 0, 0.00674167, 0.00345603 ], [ 0, 0.00003761, 0.00331735 ], [ -0.00144154, 0.00606489, -0.00449331 ], [ -0.00049423, 0.00444259, -0.00466033 ] ]
pbe
true
8
agm005266261-pbe-14
14
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91665016, 6.37432691, -0.00454255 ], [ -2.91665016, 6.37432691, -0.00454255 ], [ 0, 1.5793073, 8.64386325 ] ]
agm005266261
[ [ 0, 12.050877899976527, 3.90861673596805 ], [ 0, 2.027100562788805, 5.251610370775893 ], [ 0, 12.348925237725231, 8.115599962216479 ], [ 0, 6.10948134700178, 1.6271146257797393 ], [ 0, 8.675143222422262, 6.866445177302784 ], [ 0, 1.6748654752560932, 0.330620814551004 ], [ 0, 3.1961957175919213, 2.7597812269587836 ], [ 0, 5.2676391975538985, 5.994269993948564 ], [ 0, 9.123998311777061, 2.535977456254189 ], [ -1.6060641147100874, 10.511745728787966, 7.099797571623842 ], [ -1.5999670325496167, 7.8532639255767585, 2.5785557582255887 ], [ -1.4921150262671303, 7.88930593056621, 8.519956511921505 ], [ 1.3607736320885762, 6.613587108936448, 6.117760454903163 ], [ 1.5999670325496167, 7.8532639255767585, 2.5785557582255887 ], [ 1.4921150262671303, 7.88930593056621, 8.519956511921505 ], [ -1.3607736320885762, 6.613587108936448, 6.117760454903163 ], [ 1.5055106462884802, 3.9726144868296682, 1.6022071881583826 ], [ 0, 4.616966270434702, 4.193425711290613 ], [ 0, 9.270157252365824, 4.458981036482211 ], [ -1.5055106462884802, 3.9726144868296682, 1.6022071881583826 ], [ 1.6060641147100874, 10.511745728787966, 7.099797571623842 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.54102817, 0, 0 ], [ 0, 0.24519312, 0.06356115 ], [ 0, 0.06356109, 0.01469237 ] ]
-158.357715
-166.601715
[ [ 0, 0.00542566, -0.00033804 ], [ 0, 0.00149771, 0.00162359 ], [ 0, 0.00191593, -0.00025527 ], [ 0, 0.01279609, 0.00916941 ], [ 0, -0.00424694, 0.0010672 ], [ 0, 0.00429548, 0.00755262 ], [ 0, -0.00838803, -0.00370493 ], [ 0, -0.01235586, -0.00894343 ], [ 0, -0.00406851, -0.00492533 ], [ -0.0003347, 0.00253238, -0.00336443 ], [ 0.00208676, -0.00017688, 0.00190374 ], [ 0.00271606, -0.00726507, 0.00094561 ], [ -0.00022358, -0.00085174, 0.0019897 ], [ -0.00208676, -0.00017688, 0.00190374 ], [ -0.00271606, -0.00726507, 0.00094561 ], [ 0.00022358, -0.00085174, 0.0019897 ], [ 0.00130192, 0.00393706, -0.00230136 ], [ 0, 0.00592029, -0.00053855 ], [ 0, 0.00085668, 0.00094623 ], [ -0.00130192, 0.00393706, -0.00230136 ], [ 0.0003347, 0.00253238, -0.00336443 ] ]
pbe
true
8
agm005266261-pbe-15
15
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91715739, 6.37522393, -0.00393512 ], [ -2.91715739, 6.37522393, -0.00393512 ], [ 0, 1.58035281, 8.64324811 ] ]
agm005266261
[ [ 0, 12.05367106846459, 3.9094299195343067 ], [ 0, 2.027787564188015, 5.251663649555636 ], [ 0, 12.351601564155125, 8.115727838876277 ], [ 0, 6.111520037753242, 1.6287692350510343 ], [ 0, 8.676127440433467, 6.866560182332305 ], [ 0, 1.6747758472852472, 0.33092750696492407 ], [ 0, 3.1965282133250588, 2.759300375694016 ], [ 0, 5.268091513319984, 5.99358492847864 ], [ 0, 9.126107873214929, 2.5362016147079447 ], [ -1.6065746658374265, 10.513240129070455, 7.09975876094747 ], [ -1.6002635708536048, 7.8546065567706975, 2.579224548317929 ], [ -1.4922412035303312, 7.890930130960086, 8.520224427630255 ], [ 1.3610968633024392, 6.614984233178253, 6.118395617172448 ], [ 1.6002635708536048, 7.8546065567706975, 2.579224548317929 ], [ 1.4922412035303312, 7.890930130960086, 8.520224427630255 ], [ -1.3610968633024392, 6.614984233178253, 6.118395617172448 ], [ 1.505758669100965, 3.9735296157069127, 1.6026502466173491 ], [ 0, 4.61895398683786, 4.192536070672911 ], [ 0, 9.272802467357524, 4.459219063420963 ], [ -1.505758669100965, 3.9735296157069127, 1.6026502466173491 ], [ 1.6065746658374265, 10.513240129070455, 7.09975876094747 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.08890955, 0, 0 ], [ 0, -0.23613486, 0.02906485 ], [ 0, 0.02906514, -0.11139163 ] ]
-158.357757
-166.601757
[ [ 0, 0.00344286, -0.00095987 ], [ 0, 0.00160244, 0.00113346 ], [ 0, 0.00428044, -0.00055706 ], [ 0, 0.00730871, 0.00228049 ], [ 0, -0.00403739, 0.00375978 ], [ 0, -0.00391402, 0.00209949 ], [ 0, -0.00403281, -0.00014696 ], [ 0, 0.01222221, 0.01114672 ], [ 0, -0.0057072, 0.00234206 ], [ -0.00197455, 0.00536285, -0.00686786 ], [ 0.00528865, 0.00339806, 0.00157828 ], [ 0.00000975, -0.00288501, 0.00341606 ], [ -0.01284773, -0.01231086, -0.00310197 ], [ -0.00528865, 0.00339806, 0.00157828 ], [ -0.00000975, -0.00288501, 0.00341606 ], [ 0.01284773, -0.01231086, -0.00310197 ], [ 0.00265032, 0.00251716, -0.00365305 ], [ 0, -0.00012444, -0.00246594 ], [ 0, -0.0032052, -0.0013751 ], [ -0.00265032, 0.00251716, -0.00365305 ], [ 0.00197455, 0.00536285, -0.00686786 ] ]
pbe
true
8
agm005266261-pbe-16
16
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91710985, 6.37513985, -0.00399206 ], [ -2.91710985, 6.37513985, -0.00399206 ], [ 0, 1.58025481, 8.64330577 ] ]
agm005266261
[ [ 0, 12.05340922695712, 3.909353704140838 ], [ 0, 2.0277231456545133, 5.251658634422624 ], [ 0, 12.351350632225234, 8.115715840941823 ], [ 0, 6.111329032724786, 1.6286141609630223 ], [ 0, 8.676035176022896, 6.8665493802392215 ], [ 0, 1.6747842438716356, 0.3308987735835772 ], [ 0, 3.1964970780718733, 2.7593454731827105 ], [ 0, 5.268049104799958, 5.993649080269853 ], [ 0, 9.12591004867847, 2.5361805765661734 ], [ -1.6065268098672736, 10.513099982880442, 7.099762381933685 ], [ -1.6002357707647634, 7.8544807194994775, 2.5791618471245994 ], [ -1.4922293993442333, 7.890777897899143, 8.520199304150667 ], [ 1.3610665723679252, 6.614853228717804, 6.118336018088922 ], [ 1.6002357707647634, 7.8544807194994775, 2.5791618471245994 ], [ 1.4922293993442333, 7.890777897899143, 8.520199304150667 ], [ -1.3610665723679252, 6.614853228717804, 6.118336018088922 ], [ 1.5057353845809451, 3.9734438522477675, 1.6026087334421568 ], [ 0, 4.618767600174161, 4.192619434815391 ], [ 0, 9.272554568585283, 4.459196710511433 ], [ -1.5057353845809451, 3.9734438522477675, 1.6026087334421568 ], [ 1.6065268098672736, 10.513099982880442, 7.099762381933685 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.03500168, 0, 0 ], [ 0, -0.19517952, 0.0346678 ], [ 0, 0.03466763, -0.11259735 ] ]
-158.357758
-166.601758
[ [ 0, 0.00392148, -0.00065173 ], [ 0, 0.00175337, 0.00133277 ], [ 0, 0.00356731, -0.00049803 ], [ 0, 0.00787295, 0.0024919 ], [ 0, -0.00416869, 0.00364684 ], [ 0, -0.00275026, 0.00256895 ], [ 0, -0.00436417, -0.00043097 ], [ 0, 0.01035325, 0.0096868 ], [ 0, -0.00591937, 0.00152503 ], [ -0.00192412, 0.0047836, -0.00673128 ], [ 0.00478434, 0.00317825, 0.00159791 ], [ 0.00065011, -0.00355226, 0.00319856 ], [ -0.01167495, -0.01142222, -0.00233115 ], [ -0.00478434, 0.00317825, 0.00159791 ], [ -0.00065011, -0.00355226, 0.00319856 ], [ 0.01167495, -0.01142222, -0.00233115 ], [ 0.0023569, 0.00264358, -0.0037492 ], [ 0, 0.00072985, -0.00259794 ], [ 0, -0.00225763, -0.00104329 ], [ -0.0023569, 0.00264358, -0.0037492 ], [ 0.00192412, 0.0047836, -0.00673128 ] ]
pbe
true
8
agm005266261-pbe-17
17
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91742514, 6.37513363, -0.00343237 ], [ -2.91742514, 6.37513363, -0.00343237 ], [ 0, 1.5810115, 8.64237121 ] ]
agm005266261
[ [ 0, 12.054485788056686, 3.909898032319852 ], [ 0, 2.0282074138468005, 5.251495234931934 ], [ 0, 12.352368956087846, 8.115524239427595 ], [ 0, 6.112648113073139, 1.6299721934473208 ], [ 0, 8.675749704515361, 6.866585101154188 ], [ 0, 1.6743993016181742, 0.331275519665231 ], [ 0, 3.196217278113067, 2.758865540147762 ], [ 0, 5.268518035616437, 5.993426647922969 ], [ 0, 9.126220697905985, 2.5364448380178453 ], [ -1.6069755613040233, 10.513496562840308, 7.099130515691203 ], [ -1.6001566926985529, 7.854869769852093, 2.5797278868575524 ], [ -1.4922575035249883, 7.891104093986146, 8.520208375903461 ], [ 1.3606292035812224, 6.614665521256838, 6.118425677344528 ], [ 1.6001566926985529, 7.854869769852093, 2.5797278868575524 ], [ 1.4922575035249883, 7.891104093986146, 8.520208375903461 ], [ -1.3606292035812224, 6.614665521256838, 6.118425677344528 ], [ 1.5060188228648599, 3.973875349942173, 1.6027009032628639 ], [ 0, 4.619854711220014, 4.191662456435038 ], [ 0, 9.27347846803852, 4.459216592334545 ], [ -1.5060188228648599, 3.973875349942173, 1.6027009032628639 ], [ 1.6069755613040233, 10.513496562840308, 7.099130515691203 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.0585642, 0, 0 ], [ 0, 0.0930749, -0.04044392 ], [ 0, -0.04044408, -0.04096375 ] ]
-158.357775
-166.601775
[ [ 0, -0.00080554, -0.00130828 ], [ 0, 0.00199243, 0.00258093 ], [ 0, -0.00165143, 0.00366219 ], [ 0, -0.007194, 0.00169359 ], [ 0, 0.00439233, 0.00340993 ], [ 0, -0.00304437, -0.00702408 ], [ 0, 0.00651014, 0.0027577 ], [ 0, -0.01710769, -0.0103473 ], [ 0, 0.01006535, 0.00095095 ], [ 0.00398734, -0.00230091, 0.00127997 ], [ -0.00154271, -0.00029704, 0.00220073 ], [ -0.00292543, 0.00114369, 0.00144365 ], [ 0.00539298, 0.00864099, -0.00155662 ], [ 0.00154271, -0.00029704, 0.00220073 ], [ 0.00292543, 0.00114369, 0.00144365 ], [ -0.00539298, 0.00864099, -0.00155662 ], [ 0.00339416, -0.00121508, -0.00352501 ], [ 0, 0.00010105, 0.00198439 ], [ 0, -0.00520158, 0.00195454 ], [ -0.00339416, -0.00121508, -0.00352501 ], [ -0.00398734, -0.00230091, 0.00127997 ] ]
pbe
true
8
agm005266261-pbe-18
18
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91731456, 6.37513581, -0.00362867 ], [ -2.91731456, 6.37513581, -0.00362867 ], [ 0, 1.58074611, 8.64269898 ] ]
agm005266261
[ [ 0, 12.054108240748917, 3.9097070896541966 ], [ 0, 2.028037657776022, 5.25155256672766 ], [ 0, 12.352011893294002, 8.115591409061105 ], [ 0, 6.112185504482271, 1.6294959468965744 ], [ 0, 8.675849835523335, 6.866572546060231 ], [ 0, 1.6745343374702655, 0.33114335470056905 ], [ 0, 3.1963154148977004, 2.759033851759898 ], [ 0, 5.268353579542205, 5.993504658997831 ], [ 0, 9.126111753897607, 2.5363521544278322 ], [ -1.6068181760569342, 10.513357547394666, 7.099352162267941 ], [ -1.6001844361326594, 7.854733371096286, 2.579529365336526 ], [ -1.4922476190947327, 7.890989684629565, 8.520205210507768 ], [ 1.360782601784115, 6.614731352828564, 6.118394283613438 ], [ 1.6001844361326594, 7.854733371096286, 2.579529365336526 ], [ 1.4922476190947327, 7.890989684629565, 8.520205210507768 ], [ -1.360782601784115, 6.614731352828564, 6.118394283613438 ], [ 1.5059194095681536, 3.973723960642598, 1.6026685517377268 ], [ 0, 4.619473422468749, 4.191998115401929 ], [ 0, 9.27315437190545, 4.459209608462788 ], [ -1.5059194095681536, 3.973723960642598, 1.6026685517377268 ], [ 1.6068181760569342, 10.513357547394666, 7.099352162267941 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.02499862, 0, 0 ], [ 0, -0.01144587, -0.01625241 ], [ 0, -0.01625235, -0.06582819 ] ]
-158.357782
-166.601782
[ [ 0, 0.00056774, -0.00113419 ], [ 0, 0.00219458, 0.00219996 ], [ 0, 0.00051571, 0.00226287 ], [ 0, -0.00180527, 0.00249795 ], [ 0, 0.00117991, 0.0035569 ], [ 0, -0.00309303, -0.00347839 ], [ 0, 0.00270356, 0.00158165 ], [ 0, -0.00735543, -0.00303249 ], [ 0, 0.00468314, 0.00103087 ], [ 0.00184772, 0.00001998, -0.0020311 ], [ 0.00084698, 0.00108186, 0.00199491 ], [ -0.00160156, -0.0006754, 0.0021332 ], [ -0.00095726, 0.00111843, -0.00165943 ], [ -0.00084698, 0.00108186, 0.00199491 ], [ 0.00160156, -0.0006754, 0.0021332 ], [ 0.00095726, 0.00111843, -0.00165943 ], [ 0.0031351, 0.00020936, -0.00339883 ], [ 0, 0.00066988, -0.00030793 ], [ 0, -0.00376925, 0.0007453 ], [ -0.0031351, 0.00020936, -0.00339883 ], [ -0.00184772, 0.00001998, -0.0020311 ] ]
pbe
true
8
agm005266261-pbe-19
19
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91924334, 6.37044599, -0.00072366 ], [ -2.91924334, 6.37044599, -0.00072366 ], [ 0, 1.58351697, 8.63716868 ] ]
agm005266261
[ [ 0, 12.043833223999941, 3.911648664084616 ], [ 0, 2.026986157681911, 5.251556999068063 ], [ 0, 12.349911107567717, 8.118023719498876 ], [ 0, 6.112528756884277, 1.6352021814056825 ], [ 0, 8.673883648544328, 6.8600423248224285 ], [ 0, 1.6701768182556271, 0.3333763834612484 ], [ 0, 3.1897298834320824, 2.756938612193912 ], [ 0, 5.271653406346685, 5.995396188262824 ], [ 0, 9.118409801108374, 2.538255348100346 ], [ -1.6019455548329247, 10.523764505204381, 7.109345750857382 ], [ -1.6002281347835692, 7.842732659114019, 2.5784969054731013 ], [ -1.4877268604104503, 7.8972551755866665, 8.513330981341438 ], [ 1.3585826586392242, 6.616217962983868, 6.109177765284419 ], [ 1.6002281347835692, 7.842732659114019, 2.5784969054731013 ], [ 1.4877268604104503, 7.8972551755866665, 8.513330981341438 ], [ -1.3585826586392242, 6.616217962983868, 6.109177765284419 ], [ 1.5070874282034972, 3.969285562356349, 1.5998251343647176 ], [ 0, 4.6056478476887674, 4.197430502574072 ], [ 0, 9.249590605118883, 4.462864895104548 ], [ -1.5070874282034972, 3.969285562356349, 1.5998251343647176 ], [ 1.6019455548329247, 10.523764505204381, 7.109345750857382 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.4408472, 0, 0 ], [ 0, 2.04441449, -0.55915992 ], [ 0, -0.55916002, 0.97709684 ] ]
-158.3543
-166.5983
[ [ 0, -0.00390624, 0.0032212 ], [ 0, 0.01717197, -0.01275402 ], [ 0, -0.02662873, 0.00549604 ], [ 0, -0.02366318, -0.01866825 ], [ 0, 0.04264522, 0.01373783 ], [ 0, 0.05816701, -0.01139846 ], [ 0, 0.01795511, 0.00797107 ], [ 0, -0.11476295, -0.08633225 ], [ 0, 0.00045161, -0.00543238 ], [ -0.04526886, -0.03881924, -0.00564663 ], [ -0.03530327, 0.02480936, 0.01111288 ], [ -0.04889689, -0.04859269, 0.00375419 ], [ 0.04100361, 0.0438756, 0.02271187 ], [ 0.03530327, 0.02480936, 0.01111288 ], [ 0.04889689, -0.04859269, 0.00375419 ], [ -0.04100361, 0.0438756, 0.02271187 ], [ 0.00093345, -0.00012475, 0.00932038 ], [ 0, 0.03179385, 0.0259104 ], [ 0, 0.03847975, -0.00425656 ], [ -0.00093345, -0.00012475, 0.00932038 ], [ 0.04526886, -0.03881924, -0.00564663 ] ]
pbe
true
8
agm005266261-pbe-2
2
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91732486, 6.37513561, -0.00361039 ], [ -2.91732486, 6.37513561, -0.00361039 ], [ 0, 1.58077083, 8.64266846 ] ]
agm005266261
[ [ 0, 12.054143408574358, 3.909724892388681 ], [ 0, 2.028053476090242, 5.251547192960313 ], [ 0, 12.352045171115016, 8.115585151327583 ], [ 0, 6.112228495549957, 1.6295402794550191 ], [ 0, 8.675840560383424, 6.866573722045196 ], [ 0, 1.6745216919828614, 0.33115572002495697 ], [ 0, 3.1963061933549426, 2.759018173496792 ], [ 0, 5.2683689217210015, 5.9934974366114275 ], [ 0, 9.126121885543238, 2.5363607533780406 ], [ -1.606832834520925, 10.513370503805952, 7.099331543059391 ], [ -1.6001818589585999, 7.854746050207686, 2.5795478885012417 ], [ -1.4922485408762305, 7.891000348234795, 8.520205461703203 ], [ 1.3607682977456081, 6.614725231617591, 6.118397166555967 ], [ 1.6001818589585999, 7.854746050207686, 2.5795478885012417 ], [ 1.4922485408762305, 7.891000348234795, 8.520205461703203 ], [ -1.3607682977456081, 6.614725231617591, 6.118397166555967 ], [ 1.5059286648224826, 3.9737381121606896, 1.602671616808265 ], [ 0, 4.619508959170646, 4.1919668507166925 ], [ 0, 9.27318457739389, 4.459210304023206 ], [ -1.5059286648224826, 3.9737381121606896, 1.602671616808265 ], [ 1.606832834520925, 10.513370503805952, 7.099331543059391 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.0300327, 0, 0 ], [ 0, -0.00085729, -0.01776193 ], [ 0, -0.01776191, -0.06483528 ] ]
-158.357782
-166.601782
[ [ 0, 0.00070108, -0.00100176 ], [ 0, 0.00212902, 0.00216711 ], [ 0, 0.00025572, 0.0025025 ], [ 0, -0.00266278, 0.00232882 ], [ 0, 0.00187488, 0.00330999 ], [ 0, -0.00309022, -0.00400784 ], [ 0, 0.00299471, 0.00171602 ], [ 0, -0.00870689, -0.00420413 ], [ 0, 0.00525922, 0.00146662 ], [ 0.00190009, -0.00032499, -0.00194999 ], [ 0.00053832, 0.0010171, 0.00234269 ], [ -0.0017754, -0.00055559, 0.00225677 ], [ -0.00056755, 0.00159927, -0.00165315 ], [ -0.00053832, 0.0010171, 0.00234269 ], [ 0.0017754, -0.00055559, 0.00225677 ], [ 0.00056755, 0.00159927, -0.00165315 ], [ 0.0030841, 0.00027545, -0.00347731 ], [ 0, 0.00099005, -0.00030222 ], [ 0, -0.00376729, 0.00098688 ], [ -0.0030841, 0.00027545, -0.00347731 ], [ -0.00190009, -0.00032499, -0.00194999 ] ]
pbe
true
8
agm005266261-pbe-20
20
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91745655, 6.3751312, -0.0035099 ], [ -2.91745655, 6.3751312, -0.0035099 ], [ 0, 1.58090564, 8.64211505 ] ]
agm005266261
[ [ 0, 12.05444140071848, 3.9095931641903787 ], [ 0, 2.0282522565528374, 5.2514272128700545 ], [ 0, 12.352266497502537, 8.115291557403477 ], [ 0, 6.112442295369427, 1.6299347745594968 ], [ 0, 8.675793734437244, 6.866458144290392 ], [ 0, 1.6742499573723995, 0.33102754949178154 ], [ 0, 3.196357744162582, 2.758856083834364 ], [ 0, 5.267992819214738, 5.992977622494949 ], [ 0, 9.126455636964083, 2.536348825438856 ], [ -1.6068836329810232, 10.513397459414643, 7.0987324487346415 ], [ -1.6001556280819371, 7.854881628871168, 2.5796756767916524 ], [ -1.4923708668571942, 7.890984260169976, 8.51998150481574 ], [ 1.3606367339880658, 6.614699006717824, 6.118081244138817 ], [ 1.6001556280819371, 7.854881628871168, 2.5796756767916524 ], [ 1.4923708668571942, 7.890984260169976, 8.51998150481574 ], [ -1.3606367339880658, 6.614699006717824, 6.118081244138817 ], [ 1.506190566788889, 3.973857298532142, 1.6024301900639724 ], [ 0, 4.61982556458511, 4.19150788205345 ], [ 0, 9.27320413807237, 4.459041886456742 ], [ -1.506190566788889, 3.973857298532142, 1.6024301900639724 ], [ 1.6068836329810232, 10.513397459414643, 7.0987324487346415 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.02124443, 0, 0 ], [ 0, 0.04339472, -0.02096469 ], [ 0, -0.0209647, 0.05710896 ] ]
-158.357791
-166.601791
[ [ 0, 0.0004623, -0.000714 ], [ 0, 0.00020131, 0.00213032 ], [ 0, -0.00099131, 0.00125119 ], [ 0, -0.002155, 0.00193704 ], [ 0, -0.00019003, 0.00114092 ], [ 0, -0.00119386, -0.00181278 ], [ 0, 0.00267615, -0.00035221 ], [ 0, 0.00443229, 0.0019837 ], [ 0, 0.00222267, -0.00139692 ], [ 0.0018016, -0.00291017, -0.0001906 ], [ -0.00086212, 0.00114417, 0.00173509 ], [ -0.00148277, 0.00066243, 0.00151079 ], [ -0.00022416, 0.00147296, -0.00200841 ], [ 0.00086212, 0.00114417, 0.00173509 ], [ 0.00148277, 0.00066243, 0.00151079 ], [ 0.00022416, 0.00147296, -0.00200841 ], [ 0.00081069, -0.00029781, -0.00183179 ], [ 0, -0.00290432, -0.00612833 ], [ 0, -0.00270337, 0.00353091 ], [ -0.00081069, -0.00029781, -0.00183179 ], [ -0.0018016, -0.00291017, -0.0001906 ] ]
pbe
true
8
agm005266261-pbe-21
21
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91748791, 6.37513015, -0.00348597 ], [ -2.91748791, 6.37513015, -0.00348597 ], [ 0, 1.58093775, 8.64198324 ] ]
agm005266261
[ [ 0, 12.054512292883999, 3.90956170642917 ], [ 0, 2.0282996702824954, 5.251398636184202 ], [ 0, 12.352319216016062, 8.115221604655419 ], [ 0, 6.112493226109876, 1.630028808997252 ], [ 0, 8.675782712251365, 6.866430658988022 ], [ 0, 1.674185228215413, 0.33099703325530927 ], [ 0, 3.196370053049881, 2.75881751568367 ], [ 0, 5.267903233186113, 5.992853846309814 ], [ 0, 9.126535159976124, 2.5363459124169805 ], [ -1.6068957415625462, 10.513403918981961, 7.098589726986064 ], [ -1.6001493716943413, 7.854913904948144, 2.5797060573754513 ], [ -1.4924000080051227, 7.890980509661382, 8.519928184744964 ], [ 1.360605409158783, 6.614692782026633, 6.11800601977025 ], [ 1.6001493716943413, 7.854913904948144, 2.5797060573754513 ], [ 1.4924000080051227, 7.890980509661382, 8.519928184744964 ], [ -1.360605409158783, 6.614692782026633, 6.11800601977025 ], [ 1.5062529407989014, 3.9738856419794644, 1.6023726767559987 ], [ 0, 4.6199009729431415, 4.191398540650782 ], [ 0, 9.273208816910241, 4.4590017521151974 ], [ -1.5062529407989014, 3.9738856419794644, 1.6023726767559987 ], [ 1.6068957415625462, 10.513403918981961, 7.098589726986064 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.03887433, 0, 0 ], [ 0, 0.05107869, -0.02445963 ], [ 0, -0.02446, 0.09521235 ] ]
-158.357792
-166.601792
[ [ 0, -0.00006516, -0.00023365 ], [ 0, -0.00066462, 0.00186739 ], [ 0, -0.0009275, 0.0009019 ], [ 0, -0.00216568, 0.0015975 ], [ 0, -0.00048914, 0.0004777 ], [ 0, -0.00086995, -0.00160598 ], [ 0, 0.00269829, -0.00073246 ], [ 0, 0.00728401, 0.00319176 ], [ 0, 0.0012164, -0.00204895 ], [ 0.00167451, -0.00344282, 0.00025295 ], [ -0.00124813, 0.00095414, 0.00169734 ], [ -0.00152749, 0.00103929, 0.00114582 ], [ -0.00042932, 0.00134498, -0.0019851 ], [ 0.00124813, 0.00095414, 0.00169734 ], [ 0.00152749, 0.00103929, 0.00114582 ], [ 0.00042932, 0.00134498, -0.0019851 ], [ 0.00010808, 0.00010412, -0.00156467 ], [ 0, -0.00358643, -0.00731309 ], [ 0, -0.00242961, 0.0048052 ], [ -0.00010808, 0.00010412, -0.00156467 ], [ -0.00167451, -0.00344282, 0.00025295 ] ]
pbe
true
8
agm005266261-pbe-22
22
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91754146, 6.37528884, -0.00347988 ], [ -2.91754146, 6.37528884, -0.00347988 ], [ 0, 1.58098532, 8.64191156 ] ]
agm005266261
[ [ 0, 12.055017294064662, 3.9094779801123716 ], [ 0, 2.0284189115703137, 5.251620268769805 ], [ 0, 12.35267147389046, 8.115257774060982 ], [ 0, 6.1126946424552555, 1.630444718277205 ], [ 0, 8.67585520066755, 6.866579193125229 ], [ 0, 1.6739511537954237, 0.3308014236591788 ], [ 0, 3.1966016741287615, 2.7587357465337488 ], [ 0, 5.268029865143232, 5.992806036225173 ], [ 0, 9.12707905336741, 2.5362381271716545 ], [ -1.6068197083890678, 10.513428093636925, 7.098310881169985 ], [ -1.600161557847787, 7.8552456076455215, 2.5799280721981304 ], [ -1.4925530300915835, 7.891118353357918, 8.520108941715732 ], [ 1.3604466652565397, 6.614834860980306, 6.11784815830667 ], [ 1.600161557847787, 7.8552456076455215, 2.5799280721981304 ], [ 1.4925530300915835, 7.891118353357918, 8.520108941715732 ], [ -1.3604466652565397, 6.614834860980306, 6.11784815830667 ], [ 1.5064483464522964, 3.974072421741226, 1.6021168646453554 ], [ 0, 4.62004512751006, 4.190775913284605 ], [ 0, 9.273280107212695, 4.4592102274580325 ], [ -1.5064483464522964, 3.974072421741226, 1.6021168646453554 ], [ 1.6068197083890678, 10.513428093636925, 7.098310881169985 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.07694138, 0, 0 ], [ 0, -0.0080565, -0.02221206 ], [ 0, -0.02221215, -0.11228454 ] ]
-158.357796
-166.601796
[ [ 0, 0.00055934, 0.00011614 ], [ 0, 0.00036967, 0.00091924 ], [ 0, -0.00213568, 0.00004768 ], [ 0, 0.00009741, 0.0005045 ], [ 0, 0.00011615, -0.00141479 ], [ 0, 0.00269412, 0.00165147 ], [ 0, -0.00031113, -0.0023884 ], [ 0, 0.0000829, -0.0079844 ], [ 0, -0.00384064, 0.00431375 ], [ -0.00056046, -0.00145088, 0.00109784 ], [ -0.00032121, 0.00190629, -0.00027884 ], [ 0.00082806, 0.00038579, -0.00001257 ], [ 0.00181985, 0.00129811, -0.00010833 ], [ 0.00032121, 0.00190629, -0.00027884 ], [ -0.00082806, 0.00038579, -0.00001257 ], [ -0.00181985, 0.00129811, -0.00010833 ], [ -0.00198021, -0.00104379, -0.00025669 ], [ 0, 0.00153017, 0.00418877 ], [ 0, -0.00135333, -0.00083677 ], [ 0.00198021, -0.00104379, -0.00025669 ], [ 0.00056046, -0.00145088, 0.00109784 ] ]
pbe
true
8
agm005266261-pbe-23
23
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91752474, 6.37523928, -0.00348178 ], [ -2.91752474, 6.37523928, -0.00348178 ], [ 0, 1.58097047, 8.64193395 ] ]
agm005266261
[ [ 0, 12.05485966022698, 3.909504139992684 ], [ 0, 2.028381643930632, 5.251551030519306 ], [ 0, 12.352561465965353, 8.115246456406158 ], [ 0, 6.112631727294278, 1.630314818572735 ], [ 0, 8.675832528102905, 6.8665327885281116 ], [ 0, 1.6740242571865425, 0.33086251398526456 ], [ 0, 3.1965294072800345, 2.758761308126328 ], [ 0, 5.267990323524338, 5.992821015196394 ], [ 0, 9.12690923778767, 2.536271827276494 ], [ -1.606843438796513, 10.513420513904071, 7.098397973249663 ], [ -1.6001577266280713, 7.855142033625681, 2.5798587800016906 ], [ -1.4925052649576966, 7.891075286326986, 8.520052551516626 ], [ 1.3604962564488958, 6.614790530853898, 6.117897463801779 ], [ 1.6001577266280713, 7.855142033625681, 2.5798587800016906 ], [ 1.4925052649576966, 7.891075286326986, 8.520052551516626 ], [ -1.3604962564488958, 6.614790530853898, 6.117897463801779 ], [ 1.5063873436498225, 3.974014115120696, 1.6021967729791409 ], [ 0, 4.6200000616787, 4.190970329066649 ], [ 0, 9.273257920207877, 4.459145175567528 ], [ -1.5063873436498225, 3.974014115120696, 1.6021967729791409 ], [ 1.606843438796513, 10.513420513904071, 7.098397973249663 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.06083559, 0, 0 ], [ 0, 0.01847392, -0.02210933 ], [ 0, -0.02210938, -0.04624029 ] ]
-158.357797
-166.601797
[ [ 0, 0.0014027, -0.00005137 ], [ 0, 0.00044553, 0.00221486 ], [ 0, -0.00197022, 0.00030813 ], [ 0, -0.00057923, 0.00085913 ], [ 0, -0.00041567, -0.00049416 ], [ 0, 0.00161406, 0.00084683 ], [ 0, 0.00064594, -0.00199457 ], [ 0, 0.00297572, -0.00391843 ], [ 0, -0.00198471, 0.00196456 ], [ 0.00045878, -0.00245869, 0.00019204 ], [ -0.00061835, 0.00237944, 0.00069708 ], [ 0.00023082, 0.00029364, 0.0010574 ], [ 0.0007944, 0.00091451, -0.00091668 ], [ 0.00061835, 0.00237944, 0.00069708 ], [ -0.00023082, 0.00029364, 0.0010574 ], [ -0.0007944, 0.00091451, -0.00091668 ], [ -0.00124385, -0.00114169, -0.00115791 ], [ 0, -0.00012106, -0.00044293 ], [ 0, -0.00198745, 0.00096409 ], [ 0.00124385, -0.00114169, -0.00115791 ], [ -0.00045878, -0.00245869, 0.00019204 ] ]
pbe
true
8
agm005266261-pbe-24
24
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91752474, 6.37523928, -0.00348178 ], [ -2.91752474, 6.37523928, -0.00348178 ], [ 0, 1.58097047, 8.64193395 ] ]
agm005266261
[ [ 0, 12.05485966022698, 3.909504139992684 ], [ 0, 2.028381643930632, 5.251551030519306 ], [ 0, 12.352561465965353, 8.115246456406158 ], [ 0, 6.112631727294278, 1.630314818572735 ], [ 0, 8.675832528102905, 6.8665327885281116 ], [ 0, 1.6740242571865425, 0.33086251398526456 ], [ 0, 3.1965294072800345, 2.758761308126328 ], [ 0, 5.267990323524338, 5.992821015196394 ], [ 0, 9.12690923778767, 2.536271827276494 ], [ -1.606843438796513, 10.513420513904071, 7.098397973249663 ], [ -1.6001577266280713, 7.855142033625681, 2.5798587800016906 ], [ -1.4925052649576966, 7.891075286326986, 8.520052551516626 ], [ 1.3604962564488958, 6.614790530853898, 6.117897463801779 ], [ 1.6001577266280713, 7.855142033625681, 2.5798587800016906 ], [ 1.4925052649576966, 7.891075286326986, 8.520052551516626 ], [ -1.3604962564488958, 6.614790530853898, 6.117897463801779 ], [ 1.5063873436498225, 3.974014115120696, 1.6021967729791409 ], [ 0, 4.6200000616787, 4.190970329066649 ], [ 0, 9.273257920207877, 4.459145175567528 ], [ -1.5063873436498225, 3.974014115120696, 1.6021967729791409 ], [ 1.606843438796513, 10.513420513904071, 7.098397973249663 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.10230043, 0, 0 ], [ 0, 0.03010598, -0.03834868 ], [ 0, -0.03834877, -0.03194907 ] ]
-158.357765
-166.601765
[ [ 0, 0.00067631, 0.00002317 ], [ 0, 0.00007657, 0.00134597 ], [ 0, -0.0020085, 0.00071207 ], [ 0, -0.00064768, 0.0006113 ], [ 0, -0.00000903, -0.00051526 ], [ 0, 0.001621, 0.00067668 ], [ 0, 0.00062125, -0.00196004 ], [ 0, 0.002493, -0.00429537 ], [ 0, -0.00191128, 0.00190454 ], [ 0.00032248, -0.00231505, 0.00072657 ], [ -0.00086079, 0.00190322, 0.00053181 ], [ 0.00005661, 0.00047954, 0.00081193 ], [ 0.00091271, 0.00113507, -0.00071699 ], [ 0.00086079, 0.00190322, 0.00053181 ], [ -0.00005661, 0.00047954, 0.00081193 ], [ -0.00091271, 0.00113507, -0.00071699 ], [ -0.00134747, -0.00066179, -0.00130197 ], [ 0, -0.00003212, 0.00013365 ], [ 0, -0.00196151, 0.00126059 ], [ 0.00134747, -0.00066179, -0.00130197 ], [ -0.00032248, -0.00231505, 0.00072657 ] ]
pbe
true
8
agm005266261-pbe-25
25
1
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91779509, 6.37632125, -0.00265442 ], [ -2.91779509, 6.37632125, -0.00265442 ], [ 0, 1.58236005, 8.64085867 ] ]
agm005266261
[ [ 0, 12.053539177782467, 3.910093545701466 ], [ 0, 2.0281916031369267, 5.252701626088124 ], [ 0, 12.35746107545866, 8.11822077104964 ], [ 0, 6.11632209060699, 1.632729632031488 ], [ 0, 8.68202157410502, 6.861227977722404 ], [ 0, 1.6749897885579756, 0.3322518230879363 ], [ 0, 3.1926870039194584, 2.757351501405948 ], [ 0, 5.271971987016066, 5.994316867626313 ], [ 0, 9.126230293980347, 2.5371348711990565 ], [ -1.6055219127698093, 10.529358619561249, 7.108598560185031 ], [ -1.6020411582951448, 7.850797169511008, 2.577978158491703 ], [ -1.4904860031356524, 7.8990132785434986, 8.515618746996745 ], [ 1.3578581817007698, 6.6208475812430265, 6.111136959186557 ], [ 1.6020411582951448, 7.850797169511008, 2.577978158491703 ], [ 1.4904860031356524, 7.8990132785434986, 8.515618746996745 ], [ -1.3578581817007698, 6.6208475812430265, 6.111136959186557 ], [ 1.5063459701268562, 3.972356637014232, 1.6001219257193295 ], [ 0, 4.610340716137212, 4.19934229453638 ], [ 0, 9.259201317235426, 4.4612132603946835 ], [ -1.5063459701268562, 3.972356637014232, 1.6001219257193295 ], [ 1.6055219127698093, 10.529358619561249, 7.108598560185031 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.28063877, 0, 0 ], [ 0, -0.8993428, -0.06602877 ], [ 0, -0.06602877, 0.38286398 ] ]
-158.35591
-166.59991
[ [ 0, 0.0050571, 0.00354565 ], [ 0, -0.00066132, -0.00979328 ], [ 0, 0.00974177, -0.00543102 ], [ 0, 0.00078744, -0.04250963 ], [ 0, -0.01371869, 0.03777749 ], [ 0, -0.00100817, -0.00003644 ], [ 0, 0.01778139, 0.01532047 ], [ 0, 0.03025605, 0.01778266 ], [ 0, -0.03255242, -0.02175847 ], [ 0.0171769, -0.03780991, -0.01421033 ], [ 0.01704346, 0.03839794, 0.00524224 ], [ -0.00607521, -0.01738881, 0.00712195 ], [ 0.02391857, -0.00075047, 0.01563019 ], [ -0.01704346, 0.03839794, 0.00524224 ], [ 0.00607521, -0.01738881, 0.00712195 ], [ -0.02391857, -0.00075047, 0.01563019 ], [ -0.00116888, -0.00402606, 0.01441515 ], [ 0, -0.01016493, -0.05896128 ], [ 0, 0.0376364, 0.00766543 ], [ 0.00116888, -0.00402606, 0.01441515 ], [ -0.0171769, -0.03780991, -0.01421033 ] ]
pbe
true
8
agm005266261-pbe-3
3
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91778346, 6.37636841, -0.00266992 ], [ -2.91778346, 6.37636841, -0.00266992 ], [ 0, 1.58235077, 8.64088829 ] ]
agm005266261
[ [ 0, 12.053617080677515, 3.9100810500336336 ], [ 0, 2.0282013797921072, 5.252710816464401 ], [ 0, 12.357521684278495, 8.118222368978127 ], [ 0, 6.116352612109444, 1.6327097811509954 ], [ 0, 8.68208680715272, 6.861237426450055 ], [ 0, 1.6750284127631399, 0.3322428075984873 ], [ 0, 3.1927107568423123, 2.7573548533208223 ], [ 0, 5.271974557469001, 5.9943081865215 ], [ 0, 9.126293005011524, 2.5371258965810384 ], [ -1.605550614276748, 10.529403533283437, 7.108592481484789 ], [ -1.6020557224261947, 7.850861856638381, 2.577973991064958 ], [ -1.4905081313045296, 7.899027368345406, 8.515637127124918 ], [ 1.3578523609425173, 6.620884721782414, 6.111152664200851 ], [ 1.6020557224261947, 7.850861856638381, 2.577973991064958 ], [ 1.4905081313045296, 7.899027368345406, 8.515637127124918 ], [ -1.3578523609425173, 6.620884721782414, 6.111152664200851 ], [ 1.5063400243584897, 3.972381290677125, 1.6001243493367394 ], [ 0, 4.6103784838185184, 4.199357635512063 ], [ 0, 9.259278400178845, 4.4611999998373015 ], [ -1.5063400243584897, 3.972381290677125, 1.6001243493367394 ], [ 1.605550614276748, 10.529403533283437, 7.108592481484789 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.27475271, 0, 0 ], [ 0, -0.92900089, -0.06107609 ], [ 0, -0.06107578, 0.37526677 ] ]
-158.35591
-166.59991
[ [ 0, 0.00519037, 0.00334081 ], [ 0, -0.00120945, -0.00975724 ], [ 0, 0.00989283, -0.00571736 ], [ 0, 0.00130946, -0.04251267 ], [ 0, -0.01466107, 0.03793854 ], [ 0, -0.00200636, 0.00038152 ], [ 0, 0.01808279, 0.01544393 ], [ 0, 0.03208274, 0.01889409 ], [ 0, -0.03276951, -0.02192686 ], [ 0.01756898, -0.0377701, -0.01450688 ], [ 0.01753789, 0.03865441, 0.00526775 ], [ -0.00579766, -0.01729325, 0.00712079 ], [ 0.02360135, -0.00112884, 0.01556502 ], [ -0.01753789, 0.03865441, 0.00526775 ], [ 0.00579766, -0.01729325, 0.00712079 ], [ -0.02360135, -0.00112884, 0.01556502 ], [ -0.001071, -0.00414156, 0.01465633 ], [ 0, -0.01030821, -0.05974582 ], [ 0, 0.03775509, 0.00745505 ], [ 0.001071, -0.00414156, 0.01465633 ], [ -0.01756898, -0.0377701, -0.01450688 ] ]
pbe
true
8
agm005266261-pbe-4
4
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.9176243, 6.37588541, -0.00350163 ], [ -2.9176243, 6.37588541, -0.00350163 ], [ 0, 1.58110492, 8.6434935 ] ]
agm005266261
[ [ 0, 12.052349526701672, 3.9100017782087777 ], [ 0, 2.02762883576228, 5.253455478333519 ], [ 0, 12.355490805201638, 8.119006742727294 ], [ 0, 6.115270175641633, 1.6300729383361956 ], [ 0, 8.68064787855527, 6.864194224339536 ], [ 0, 1.675930611964908, 0.3318812875035528 ], [ 0, 3.1932038219113683, 2.758537467006201 ], [ 0, 5.271277214226443, 5.995590388281006 ], [ 0, 9.123880236033203, 2.5359337264770114 ], [ -1.6061910982581622, 10.525331160191122, 7.108548916537566 ], [ -1.6020896187221938, 7.852199629983867, 2.578234420231234 ], [ -1.4918895192752868, 7.895538489602075, 8.51789090037658 ], [ 1.358807134320826, 6.619667036879457, 6.11331815319821 ], [ 1.6020896187221938, 7.852199629983867, 2.578234420231234 ], [ 1.4918895192752868, 7.895538489602075, 8.51789090037658 ], [ -1.358807134320826, 6.619667036879457, 6.11331815319821 ], [ 1.5062125454313888, 3.9716519626591653, 1.601027879925875 ], [ 0, 4.609616474903831, 4.1979150981673055 ], [ 0, 9.260506326404759, 4.461429796438519 ], [ -1.5062125454313888, 3.9716519626591653, 1.601027879925875 ], [ 1.6061910982581622, 10.525331160191122, 7.108548916537566 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.04037059, 0, 0 ], [ 0, -0.80798171, -0.05299919 ], [ 0, -0.05299919, -0.59239473 ] ]
-158.35665
-166.60065
[ [ 0, 0.00114886, 0.00107263 ], [ 0, 0.00390206, -0.00870671 ], [ 0, 0.00358876, -0.00128347 ], [ 0, -0.01522703, -0.02518418 ], [ 0, -0.01108341, 0.01903432 ], [ 0, -0.00431034, 0.00137425 ], [ 0, 0.01562495, 0.01097445 ], [ 0, 0.00753539, -0.02490807 ], [ 0, 0.00782458, 0.01523434 ], [ 0.01535673, -0.02114547, -0.01848936 ], [ 0.01667312, 0.01438474, 0.00236215 ], [ 0.00705943, -0.00666999, 0.00679915 ], [ 0.00652279, -0.01595402, 0.01404813 ], [ -0.01667312, 0.01438474, 0.00236215 ], [ -0.00705943, -0.00666999, 0.00679915 ], [ -0.00652279, -0.01595402, 0.01404813 ], [ 0.00502716, 0.00015949, 0.00409016 ], [ 0, 0.02323215, 0.00885897 ], [ 0, 0.02621453, -0.014087 ], [ -0.00502716, 0.00015949, 0.00409016 ], [ -0.01535673, -0.02114547, -0.01848936 ] ]
pbe
true
8
agm005266261-pbe-5
5
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91755036, 6.37566102, -0.00388801 ], [ -2.91755036, 6.37566102, -0.00388801 ], [ 0, 1.58052614, 8.6447038 ] ]
agm005266261
[ [ 0, 12.051760766819049, 3.909964984853491 ], [ 0, 2.02736289321652, 5.253801301118782 ], [ 0, 12.354547357372956, 8.119371214876297 ], [ 0, 6.114767498692015, 1.6288478110956024 ], [ 0, 8.679979318370432, 6.865567978346492 ], [ 0, 1.6763496888679719, 0.3317132492982288 ], [ 0, 3.1934328755729875, 2.759086913878039 ], [ 0, 5.270953334426614, 5.9961860537947125 ], [ 0, 9.122759355586208, 2.5353799695429937 ], [ -1.606488654090541, 10.523439359250288, 7.1085286328428285 ], [ -1.602105326429677, 7.852821031997685, 2.578355377709594 ], [ -1.4925312376652, 7.893917678335548, 8.518938004964264 ], [ 1.3592506518015501, 6.619101310712635, 6.114324248494873 ], [ 1.602105326429677, 7.852821031997685, 2.578355377709594 ], [ 1.4925312376652, 7.893917678335548, 8.518938004964264 ], [ -1.3592506518015501, 6.619101310712635, 6.114324248494873 ], [ 1.5061533094715434, 3.971313095459683, 1.6014476862009075 ], [ 0, 4.609262489462945, 4.197244831539534 ], [ 0, 9.261076742029323, 4.461536537314845 ], [ -1.5061533094715434, 3.971313095459683, 1.6014476862009075 ], [ 1.606488654090541, 10.523439359250288, 7.1085286328428285 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.04816822, 0, 0 ], [ 0, -0.74966277, -0.05141299 ], [ 0, -0.05141309, -1.04056137 ] ]
-158.35675
-166.60075
[ [ 0, -0.00067887, -0.00058133 ], [ 0, 0.00617577, -0.00917702 ], [ 0, 0.00043469, 0.00045766 ], [ 0, -0.02318665, -0.01770338 ], [ 0, -0.00942868, 0.01114198 ], [ 0, -0.00494264, 0.00251865 ], [ 0, 0.01452862, 0.00870232 ], [ 0, -0.00269858, -0.0454544 ], [ 0, 0.02476934, 0.03216778 ], [ 0.01377869, -0.01463914, -0.02105636 ], [ 0.01603363, 0.00435311, 0.00117398 ], [ 0.01225364, -0.00252653, 0.00729333 ], [ -0.00156493, -0.02297258, 0.01377194 ], [ -0.01603363, 0.00435311, 0.00117398 ], [ -0.01225364, -0.00252653, 0.00729333 ], [ 0.00156493, -0.02297258, 0.01377194 ], [ 0.00760171, 0.00193305, -0.00009086 ], [ 0, 0.04029386, 0.04001722 ], [ 0, 0.02243733, -0.02427353 ], [ -0.00760171, 0.00193305, -0.00009086 ], [ -0.01377869, -0.01463914, -0.02105636 ] ]
pbe
true
8
agm005266261-pbe-6
6
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91737562, 6.37311468, -0.00461116 ], [ -2.91737562, 6.37311468, -0.00461116 ], [ 0, 1.57891293, 8.6422955 ] ]
agm005266261
[ [ 0, 12.046576851019813, 3.9077107503125315 ], [ 0, 2.02643845054393, 5.251289827479137 ], [ 0, 12.348686178545782, 8.115726921418842 ], [ 0, 6.110737330528556, 1.6252433166890827 ], [ 0, 8.675353627385798, 6.86462948527518 ], [ 0, 1.67614156770214, 0.331386227571578 ], [ 0, 3.193301123655271, 2.7589173705509755 ], [ 0, 5.268369234381996, 5.991852596867719 ], [ 0, 9.119069142579145, 2.5346777235394766 ], [ -1.606226467631132, 10.516102404123865, 7.10380285771174 ], [ -1.601316116030085, 7.851164806950788, 2.5771617329880607 ], [ -1.4928558215238783, 7.888448221438295, 8.516551071184793 ], [ 1.3598022255836084, 6.614705503681557, 6.11337933015822 ], [ 1.601316116030085, 7.851164806950788, 2.5771617329880607 ], [ 1.4928558215238783, 7.888448221438295, 8.516551071184793 ], [ -1.3598022255836084, 6.614705503681557, 6.11337933015822 ], [ 1.5064001754460712, 3.9694872789241136, 1.601199448995892 ], [ 0, 4.608988569867332, 4.196057072582995 ], [ 0, 9.259686743107746, 4.458148019803216 ], [ -1.5064001754460712, 3.9694872789241136, 1.601199448995892 ], [ 1.606226467631132, 10.516102404123865, 7.10380285771174 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.58243044, 0, 0 ], [ 0, 0.73483628, 0.12223764 ], [ 0, 0.12223759, 0.85792978 ] ]
-158.357108
-166.601108
[ [ 0, 0.00401264, -0.00237269 ], [ 0, 0.00177765, -0.0005642 ], [ 0, -0.01889095, -0.00241338 ], [ 0, -0.01790419, 0.01291751 ], [ 0, 0.00168197, -0.00539601 ], [ 0, 0.00345816, -0.00219388 ], [ 0, 0.00507648, -0.00147573 ], [ 0, -0.00973975, 0.06033616 ], [ 0, 0.02552251, -0.00684532 ], [ 0.00171227, -0.00835506, -0.02411958 ], [ -0.00433716, -0.01725182, 0.00505526 ], [ 0.01002149, 0.00165115, 0.00303389 ], [ 0.00481903, -0.0078477, 0.00004996 ], [ 0.00433716, -0.01725182, 0.00505526 ], [ -0.01002149, 0.00165115, 0.00303389 ], [ -0.00481903, -0.0078477, 0.00004996 ], [ -0.00324967, 0.01619786, -0.00535717 ], [ 0, 0.01536035, -0.02835328 ], [ 0, 0.02085628, 0.01903612 ], [ 0.00324967, 0.01619786, -0.00535717 ], [ -0.00171227, -0.00835506, -0.02411958 ] ]
pbe
true
8
agm005266261-pbe-7
7
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91740048, 6.37347687, -0.00450829 ], [ -2.91740048, 6.37347687, -0.00450829 ], [ 0, 1.57914239, 8.64263805 ] ]
agm005266261
[ [ 0, 12.047314198569223, 3.9080314091454023 ], [ 0, 2.026569941990216, 5.251647087614044 ], [ 0, 12.349519831341958, 8.116245282813471 ], [ 0, 6.111310577770255, 1.6257560712335397 ], [ 0, 8.676011581306451, 6.864762986663041 ], [ 0, 1.6761711249199898, 0.3314327942303304 ], [ 0, 3.1933198835467542, 2.7589414718993646 ], [ 0, 5.268736802935889, 5.99246902672273 ], [ 0, 9.119593997455171, 2.534777614364761 ], [ -1.6062637858046351, 10.517145997150752, 7.104475084393627 ], [ -1.601428369553064, 7.851400318073763, 2.5773315221361717 ], [ -1.4928096695400255, 7.889226178406816, 8.51689061647037 ], [ 1.359723752791395, 6.615330812053001, 6.113513692064143 ], [ 1.601428369553064, 7.851400318073763, 2.5773315221361717 ], [ 1.4928096695400255, 7.889226178406816, 8.51689061647037 ], [ -1.359723752791395, 6.615330812053001, 6.113513692064143 ], [ 1.5063650791302976, 3.969746942783118, 1.6012347096487736 ], [ 0, 4.60902755490295, 4.196225989673025 ], [ 0, 9.259884451032008, 4.4586300154300895 ], [ -1.5063650791302976, 3.969746942783118, 1.6012347096487736 ], [ 1.6062637858046351, 10.517145997150752, 7.104475084393627 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ 0.4836849, 0, 0 ], [ 0, 0.52321655, 0.09689074 ], [ 0, 0.09689071, 0.58851104 ] ]
-158.357118
-166.601118
[ [ 0, 0.00351864, -0.00211652 ], [ 0, 0.00223177, -0.00178945 ], [ 0, -0.01596396, -0.00195707 ], [ 0, -0.01831083, 0.00914431 ], [ 0, 0.00040375, -0.00373139 ], [ 0, 0.00217545, -0.00140873 ], [ 0, 0.00670708, 0.00011948 ], [ 0, -0.00879767, 0.04465692 ], [ 0, 0.02556157, -0.00111105 ], [ 0.00355194, -0.00948681, -0.02362579 ], [ -0.00131779, -0.01415522, 0.00465627 ], [ 0.01037768, 0.00096384, 0.00362222 ], [ 0.00391346, -0.00991101, 0.001915 ], [ 0.00131779, -0.01415522, 0.00465627 ], [ -0.01037768, 0.00096384, 0.00362222 ], [ -0.00391346, -0.00991101, 0.001915 ], [ -0.0016303, 0.01399046, -0.00453911 ], [ 0, 0.01897841, -0.01858418 ], [ 0, 0.02069325, 0.01272049 ], [ 0.0016303, 0.01399046, -0.00453911 ], [ -0.00355194, -0.00948681, -0.02362579 ] ]
pbe
true
8
agm005266261-pbe-8
8
0
[ "K", "Mg", "Nb", "Nd", "O" ]
21
A12B4C2D2E
K2MgNb2Nd4O12
K2 Nd4 Mg Nb2 O12
5
[ 1, 1, 1 ]
3
[ [ 2.91793489, 6.37351661, -0.00464626 ], [ -2.91793489, 6.37351661, -0.00464626 ], [ 0, 1.57896585, 8.64361355 ] ]
agm005266261
[ [ 0, 12.047513182239344, 3.9081988258534137 ], [ 0, 2.0268509421535867, 5.251600962390249 ], [ 0, 12.348667862575374, 8.116750104797447 ], [ 0, 6.109646867996213, 1.624816067618599 ], [ 0, 8.67571932426922, 6.866244809748855 ], [ 0, 1.6765632358731763, 0.3313397275119516 ], [ 0, 3.1944321882781503, 2.759719471664848 ], [ 0, 5.268342179903192, 5.993902018724294 ], [ 0, 9.120938104201253, 2.5353912904456837 ], [ -1.6062955824602894, 10.515277146813872, 7.1029917508411 ], [ -1.601386069469818, 7.8517446989272734, 2.5778908412495274 ], [ -1.4928319760561286, 7.8883632781198605, 8.518290845721959 ], [ 1.3605202026648038, 6.614167033578413, 6.114968830054756 ], [ 1.601386069469818, 7.8517446989272734, 2.5778908412495274 ], [ 1.4928319760561286, 7.8883632781198605, 8.518290845721959 ], [ -1.3605202026648038, 6.614167033578413, 6.114968830054756 ], [ 1.5067576160632115, 3.9703626731613486, 1.6014756467777918 ], [ 0, 4.611031926443082, 4.195981680220068 ], [ 0, 9.26243569350218, 4.458869550727385 ], [ -1.5067576160632115, 3.9703626731613486, 1.6014756467777918 ], [ 1.6062955824602894, 10.515277146813872, 7.1029917508411 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Nd", "Nd", "Nd", "Nd", "Mg", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.09523809523809523, 0.047619047619047616, 0.09523809523809523, 0.19047619047619047, 0.5714285714285714 ]
[ [ -0.24785749, 0, 0 ], [ 0, 0.28190062, -0.01812632 ], [ 0, -0.01812636, 0.23863494 ] ]
-158.357404
-166.601404
[ [ 0, 0.00661764, -0.00007562 ], [ 0, -0.00159734, 0.00141481 ], [ 0, -0.00968878, -0.00675858 ], [ 0, 0.00047293, 0.02302716 ], [ 0, -0.00286485, -0.0113789 ], [ 0, -0.01062939, -0.00203475 ], [ 0, -0.00203735, -0.0018871 ], [ 0, -0.01029786, 0.00974755 ], [ 0, -0.00151524, 0.00086518 ], [ -0.00307922, -0.01053679, -0.00927227 ], [ 0.00345466, -0.00528517, -0.00004715 ], [ 0.00116108, 0.0057539, 0.00180862 ], [ 0.00014854, -0.00197149, 0.00410828 ], [ -0.00345466, -0.00528517, -0.00004715 ], [ -0.00116108, 0.0057539, 0.00180862 ], [ -0.00014854, -0.00197149, 0.00410828 ], [ -0.00554607, 0.01190557, -0.00310615 ], [ 0, 0.01591889, -0.00817242 ], [ 0, 0.01588928, 0.00827 ], [ 0.00554607, 0.01190557, -0.00310615 ], [ 0.00307922, -0.01053679, -0.00927227 ] ]
pbe
true
8
agm005266261-pbe-9
9
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.1886281, -5.47013671, 0 ], [ 3.18862811, 5.47013671, 0 ], [ 0, 0, 10.48479288 ] ]
agm005266311
[ [ 3.188628101665624, -3.64789873131406, 0 ], [ 3.1886281066627866, 1.819134441922154, 0 ], [ 1.5935469315145396, -0.9145622215964465, 5.24239644 ], [ 1.5972551146876313, -0.909461100308903, 0 ], [ 4.783709276813541, -0.9145622215964466, 5.24239644 ], [ 4.7800010936497745, -0.9094611003089033, 0 ], [ 1.596923148279676, 0.9110618264143503, 2.6104961822115267 ], [ 1.596923148279676, 0.9110618264143503, 7.874296697788473 ], [ 4.780333063385843, 0.9110618264143504, 2.6104961822115267 ], [ 4.780333063385843, 0.9110618264143504, 7.874296697788473 ], [ 3.1886281033349033, -1.8216608792630347, 2.599899621439426 ], [ 3.1886281033349033, -1.8216608792630347, 7.884893258560575 ], [ 3.1886281083324963, 3.645842288119303, 2.609595328807277 ], [ 3.1886281083324963, 3.645842288119303, 7.875197551192724 ], [ 3.1886281066686504, 1.825549161839237, 5.24239644 ], [ 3.1886281016715317, -3.641434998972056, 5.24239644 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 7.61999659, 0, 0 ], [ 0, 3.90079048, 0 ], [ 0, 0, -12.85545317 ] ]
-27.575992
-27.575992
[ [ 0, -0.02316372, 0 ], [ 0, 0.00923229, 0 ], [ -0.02967655, -0.02609236, 0 ], [ -0.02573471, -0.012109, 0 ], [ 0.02967655, -0.02609236, 0 ], [ 0.02573471, -0.012109, 0 ], [ 0.03559253, -0.02586109, 0.11148226 ], [ 0.03559253, -0.02586109, -0.11148226 ], [ -0.03559253, -0.02586109, 0.11148226 ], [ -0.03559253, -0.02586109, -0.11148226 ], [ 0, 0.05430769, 0.07905221 ], [ 0, 0.05430769, -0.07905221 ], [ 0, 0.01367268, 0.09981665 ], [ 0, 0.01367268, -0.09981665 ], [ 0, 0.05217644, 0 ], [ 0, 0.00564131, 0 ] ]
pbe
true
38
agm005266311-pbe-0
0
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.20535253, -5.48482405, 0 ], [ 3.20535253, 5.48482405, 0 ], [ 0, 0, 10.392016 ] ]
agm005266311
[ [ 3.2053525299999994, -3.6588137945584553, 0 ], [ 3.20535253, 1.8244653998996205, 0 ], [ 1.600465950055888, -0.9182799378578976, 5.196008 ], [ 1.6043847499520152, -0.9124887315364645, 0 ], [ 4.810239109944112, -0.9182799378578981, 5.196008 ], [ 4.806320310047985, -0.9124887315364645, 0 ], [ 1.6070251270450773, 0.9122570525685924, 2.5927272460356803 ], [ 1.6070251270450773, 0.9122570525685924, 7.79928875396432 ], [ 4.803679932954922, 0.912257052568592, 2.5927272460356803 ], [ 4.803679932954922, 0.912257052568592, 7.79928875396432 ], [ 3.20535253, -1.823925144730696, 2.58067385843776 ], [ 3.20535253, -1.823925144730696, 7.81134214156224 ], [ 3.20535253, 3.6562927500321147, 2.59127662452224 ], [ 3.20535253, 3.6562927500321147, 7.80073937547776 ], [ 3.20535253, 1.8329746656272723, 5.196008 ], [ 3.20535253, -3.650939342366352, 5.196008 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 5.6465109, 0, 0 ], [ 0, 2.50442295, 0 ], [ 0, 0, -9.55535089 ] ]
-27.613573
-27.613573
[ [ 0, -0.01993424, 0 ], [ 0, 0.00362437, 0 ], [ -0.0211665, -0.0231938, 0 ], [ -0.0178509, -0.01497512, 0 ], [ 0.0211665, -0.0231938, 0 ], [ 0.0178509, -0.01497512, 0 ], [ 0.02592856, -0.00997288, 0.10724646 ], [ 0.02592856, -0.00997288, -0.10724646 ], [ -0.02592856, -0.00997288, 0.10724646 ], [ -0.02592856, -0.00997288, -0.10724646 ], [ 0, 0.03720159, 0.07567513 ], [ 0, 0.03720159, -0.07567513 ], [ 0, 0.00808615, 0.09708908 ], [ 0, 0.00808615, -0.09708908 ], [ 0, 0.04090019, 0 ], [ 0, 0.00106355, 0 ] ]
pbe
true
38
agm005266311-pbe-1
1
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.25683945, -5.5135493, 0 ], [ 3.25683945, 5.5135493, 0 ], [ 0, 0, 10.16493145 ] ]
agm005266311
[ [ 3.25683945, -3.6959213208019763, 0 ], [ 3.25683945, 1.8218168431432065, 0 ], [ 1.6276018023405272, -0.9388510342885101, 5.082465725 ], [ 1.6251032853880654, -0.9287064343894682, 0 ], [ 4.886077097659474, -0.9388510342885095, 5.082465725 ], [ 4.888575614611936, -0.9287064343894684, 0 ], [ 1.645633163681874, 0.926347186643998, 2.585555114750749 ], [ 1.645633163681874, 0.926347186643998, 7.57937633524925 ], [ 4.868045736318126, 0.9263471866439978, 2.585555114750749 ], [ 4.868045736318126, 0.9263471866439978, 7.57937633524925 ], [ 3.25683945, -1.8193525071480778, 2.5473135244933895 ], [ 3.25683945, -1.8193525071480778, 7.617617925506609 ], [ 3.25683945, 3.68344680523974, 2.5728083923617637 ], [ 3.25683945, 3.68344680523974, 7.5921230576382355 ], [ 3.25683945, 1.851459448515782, 5.082465725 ], [ 3.25683945, -3.6759051519652277, 5.082465725 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 0.34228111, 0, 0 ], [ 0, -0.34422679, 0 ], [ 0, 0, 0.09332874 ] ]
-27.666879
-27.666879
[ [ 0, -0.00628519, 0 ], [ 0, -0.00279478, 0 ], [ 0.00247033, -0.00558023, 0 ], [ -0.0007555, -0.00231152, 0 ], [ -0.00247033, -0.00558023, 0 ], [ 0.0007555, -0.00231152, 0 ], [ -0.00023499, 0.00079623, -0.00635028 ], [ -0.00023499, 0.00079623, 0.00635028 ], [ 0.00023499, 0.00079623, -0.00635028 ], [ 0.00023499, 0.00079623, 0.00635028 ], [ 0, 0.00113093, -0.00661721 ], [ 0, 0.00113093, 0.00661721 ], [ 0, 0.00808188, -0.00525236 ], [ 0, 0.00808188, 0.00525236 ], [ 0, 0.00680769, 0 ], [ 0, -0.00355476, 0 ] ]
pbe
true
38
agm005266311-pbe-10
10
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.25893796, -5.51073116, 0 ], [ 3.25893796, 5.51073116, 0 ], [ 0, 0, 10.16643861 ] ]
agm005266311
[ [ 3.25893796, -3.6959401501836266, 0 ], [ 3.25893796, 1.8195386149253363, 0 ], [ 1.629638607720818, -0.9398344238815267, 5.083219305 ], [ 1.625983871745576, -0.9290498678940952, 0 ], [ 4.888237312279181, -0.9398344238815275, 5.083219305 ], [ 4.891892048254424, -0.9290498678940957, 0 ], [ 1.6468929243925197, 0.9265662364675947, 2.5856360248869215 ], [ 1.6468929243925197, 0.9265662364675947, 7.580802585113078 ], [ 4.870982995607481, 0.9265662364675951, 2.5856360248869215 ], [ 4.870982995607481, 0.9265662364675951, 7.580802585113078 ], [ 3.25893796, -1.8178658875890301, 2.546294347411488 ], [ 3.25893796, -1.8178658875890301, 7.620144262588512 ], [ 3.25893796, 3.683649566477478, 2.5723894603712503 ], [ 3.25893796, 3.683649566477478, 7.59404914962875 ], [ 3.25893796, 1.8512778914706032, 5.083219305 ], [ 3.25893796, -3.675027586719165, 5.083219305 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 0.15630528, 0, 0 ], [ 0, -0.28700576, 0 ], [ 0, 0, -0.02747402 ] ]
-27.667058
-27.667058
[ [ 0, -0.00428229, 0 ], [ 0, -0.00156756, 0 ], [ 0.00100708, -0.0034638, 0 ], [ 0.00003085, -0.00355595, 0 ], [ -0.00100708, -0.0034638, 0 ], [ -0.00003085, -0.00355595, 0 ], [ 0.00062637, 0.0017694, -0.00456477 ], [ 0.00062637, 0.0017694, 0.00456477 ], [ -0.00062637, 0.0017694, -0.00456477 ], [ -0.00062637, 0.0017694, 0.00456477 ], [ 0, 0.00000672, -0.00349028 ], [ 0, 0.00000672, 0.00349028 ], [ 0, 0.00531674, -0.00420677 ], [ 0, 0.00531674, 0.00420677 ], [ 0, 0.00625504, 0 ], [ 0, -0.00409022, 0 ] ]
pbe
true
38
agm005266311-pbe-11
11
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.26239629, -5.50608691, 0 ], [ 3.26239629, 5.50608691, 0 ], [ 0, 0, 10.1689224 ] ]
agm005266311
[ [ 3.26239629, -3.695968546859174, 0 ], [ 3.26239629, 1.8157858885190266, 0 ], [ 1.6329969324424174, -0.9414530395237853, 5.0844612 ], [ 1.6274348077596705, -0.9296146223020709, 0 ], [ 4.891795647557583, -0.9414530395237861, 5.0844612 ], [ 4.897357772240329, -0.9296146223020707, 0 ], [ 1.648969363686554, 0.926926220307394, 2.5857690446340476 ], [ 1.648969363686554, 0.926926220307394, 7.583153355365951 ], [ 4.875823216313446, 0.9269262203073945, 2.5857690446340476 ], [ 4.875823216313446, 0.9269262203073945, 7.583153355365951 ], [ 3.26239629, -1.8154167604525804, 2.544614297099784 ], [ 3.26239629, -1.8154167604525804, 7.6243081029002155 ], [ 3.26239629, 3.68398080456046, 2.571698815155288 ], [ 3.26239629, 3.68398080456046, 7.597223584844712 ], [ 3.26239629, 1.8509776025173392, 5.0844612 ], [ 3.26239629, -3.6735800266309466, 5.0844612 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ -0.13580361, 0, 0 ], [ 0, -0.20275305, 0 ], [ 0, 0, -0.2295207 ] ]
-27.667188
-27.667188
[ [ 0, 0.00009369, 0 ], [ 0, 0.00171409, 0 ], [ -0.00193117, 0.00140408, 0 ], [ 0.0014977, -0.00497106, 0 ], [ 0.00193117, 0.00140408, 0 ], [ -0.0014977, -0.00497106, 0 ], [ 0.00201984, 0.00352768, -0.00122756 ], [ 0.00201984, 0.00352768, 0.00122756 ], [ -0.00201984, 0.00352768, -0.00122756 ], [ -0.00201984, 0.00352768, 0.00122756 ], [ 0, -0.00153384, 0.00272812 ], [ 0, -0.00153384, -0.00272812 ], [ 0, 0.00016579, -0.00199041 ], [ 0, 0.00016579, 0.00199041 ], [ 0, 0.00165518, 0 ], [ 0, -0.00770363, 0 ] ]
pbe
true
38
agm005266311-pbe-12
12
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.26217292, -5.5014743, 0 ], [ 3.26217292, 5.5014743, 0 ], [ 0, 0, 10.16296947 ] ]
agm005266311
[ [ 3.26217292, -3.6938057060687575, 0 ], [ 3.26217292, 1.8139376339255782, 0 ], [ 1.6329887635165687, -0.9411119017192199, 5.081484735 ], [ 1.6275421743658782, -0.930245499711346, 0 ], [ 4.89135707648343, -0.94111190171922, 5.081484735 ], [ 4.896803665634121, -0.9302454997113463, 0 ], [ 1.649363142623321, 0.9272059901753389, 2.5838570377716654 ], [ 1.649363142623321, 0.9272059901753389, 7.579112432228335 ], [ 4.874982697376678, 0.9272059901753389, 2.5838570377716654 ], [ 4.874982697376678, 0.9272059901753389, 7.579112432228335 ], [ 3.2621729200000003, -1.813926961065436, 2.542977509375537 ], [ 3.2621729200000003, -1.813926961065436, 7.619991960624463 ], [ 3.26217292, 3.6819688439943636, 2.5693929979922667 ], [ 3.26217292, 3.6819688439943636, 7.593576472007734 ], [ 3.2621729199999994, 1.850142066087476, 5.081484735 ], [ 3.26217292, -3.6725540609952882, 5.081484735 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 0.32868686, 0, 0 ], [ 0, 0.40863061, 0 ], [ 0, 0, 0.40022543 ] ]
-27.6672
-27.6672
[ [ 0, -0.00040456, 0 ], [ 0, 0.00038504, 0 ], [ -0.00106162, 0.00139647, 0 ], [ 0.00212185, -0.00266556, 0 ], [ 0.00106162, 0.00139647, 0 ], [ -0.00212185, -0.00266556, 0 ], [ 0.00115851, 0.00141073, -0.00100393 ], [ 0.00115851, 0.00141073, 0.00100393 ], [ -0.00115851, 0.00141073, -0.00100393 ], [ -0.00115851, 0.00141073, 0.00100393 ], [ 0, -0.00079458, 0.00345759 ], [ 0, -0.00079458, -0.00345759 ], [ 0, 0.00005263, -0.00009105 ], [ 0, 0.00005263, 0.00009105 ], [ 0, 0.0022365, 0 ], [ 0, -0.00383782, 0 ] ]
pbe
true
38
agm005266311-pbe-13
13
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.26227114, -5.50350266, 0 ], [ 3.26227114, 5.50350266, 0 ], [ 0, 0, 10.16558722 ] ]
agm005266311
[ [ 3.26227114, -3.694756698181424, 0 ], [ 3.26227114, 1.814750503360742, 0 ], [ 1.632992356864754, -0.9412618035037092, 5.08279361 ], [ 1.6274949732758943, -0.9299678455550171, 0 ], [ 4.891549923135246, -0.9412618035037088, 5.08279361 ], [ 4.897047306724106, -0.9299678455550167, 0 ], [ 1.6491899897928135, 0.9270827993905918, 2.5846978353546954 ], [ 1.6491899897928135, 0.9270827993905918, 7.580889384645305 ], [ 4.8753522902071875, 0.9270827993905915, 2.5846978353546954 ], [ 4.8753522902071875, 0.9270827993905915, 7.580889384645305 ], [ 3.26227114, -1.8145820961793466, 2.5436972773878863 ], [ 3.26227114, -1.8145820961793466, 7.621889942612114 ], [ 3.2622711399999997, 3.682853392418216, 2.570407052840819 ], [ 3.2622711399999997, 3.682853392418216, 7.595180167159182 ], [ 3.26227114, 1.8505094018240393, 5.08279361 ], [ 3.26227114, -3.673004874408146, 5.08279361 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 0.13879011, 0, 0 ], [ 0, 0.14502337, 0 ], [ 0, 0, 0.1321843 ] ]
-27.667222
-27.667222
[ [ 0, -0.0001702, 0 ], [ 0, 0.00088924, 0 ], [ -0.00133344, 0.00118405, 0 ], [ 0.00190252, -0.00381597, 0 ], [ 0.00133344, 0.00118405, 0 ], [ -0.00190252, -0.00381597, 0 ], [ 0.00164938, 0.00230406, -0.00188459 ], [ 0.00164938, 0.00230406, 0.00188459 ], [ -0.00164938, 0.00230406, -0.00188459 ], [ -0.00164938, 0.00230406, 0.00188459 ], [ 0, -0.00113829, 0.00228089 ], [ 0, -0.00113829, -0.00228089 ], [ 0, -0.00001625, -0.00170344 ], [ 0, -0.00001625, 0.00170344 ], [ 0, 0.00127565, 0 ], [ 0, -0.00363801, 0 ] ]
pbe
true
38
agm005266311-pbe-14
14
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.26227114, -5.50350266, 0 ], [ 3.26227114, 5.50350266, 0 ], [ 0, 0, 10.16558722 ] ]
agm005266311
[ [ 3.26227114, -3.694756698181424, 0 ], [ 3.26227114, 1.814750503360742, 0 ], [ 1.632992356864754, -0.9412618035037092, 5.08279361 ], [ 1.6274949732758943, -0.9299678455550171, 0 ], [ 4.891549923135246, -0.9412618035037088, 5.08279361 ], [ 4.897047306724106, -0.9299678455550167, 0 ], [ 1.6491899897928135, 0.9270827993905918, 2.5846978353546954 ], [ 1.6491899897928135, 0.9270827993905918, 7.580889384645305 ], [ 4.8753522902071875, 0.9270827993905915, 2.5846978353546954 ], [ 4.8753522902071875, 0.9270827993905915, 7.580889384645305 ], [ 3.26227114, -1.8145820961793466, 2.5436972773878863 ], [ 3.26227114, -1.8145820961793466, 7.621889942612114 ], [ 3.2622711399999997, 3.682853392418216, 2.570407052840819 ], [ 3.2622711399999997, 3.682853392418216, 7.595180167159182 ], [ 3.26227114, 1.8505094018240393, 5.08279361 ], [ 3.26227114, -3.673004874408146, 5.08279361 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ -0.16332719, 0, 0 ], [ 0, 0.11784901, 0 ], [ 0, 0, 0.79337484 ] ]
-27.66265
-27.66265
[ [ 0, -0.00401489, 0 ], [ 0, -0.00183472, 0 ], [ -0.00049765, -0.00224518, 0 ], [ 0.00102166, -0.00499964, 0 ], [ 0.00049765, -0.00224518, 0 ], [ -0.00102166, -0.00499964, 0 ], [ -0.00328557, 0.00340931, 0.00473817 ], [ -0.00328557, 0.00340931, -0.00473817 ], [ 0.00328557, 0.00340931, 0.00473817 ], [ 0.00328557, 0.00340931, -0.00473817 ], [ 0, 0.00449321, 0.00581976 ], [ 0, 0.00449321, -0.00581976 ], [ 0, 0.00049132, 0.01626081 ], [ 0, 0.00049132, -0.01626081 ], [ 0, 0.00109902, 0 ], [ 0, -0.00436605, 0 ] ]
pbe
true
38
agm005266311-pbe-15
15
1
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.26190513, -5.5039482, 0 ], [ 3.26190513, 5.5039482, 0 ], [ 0, 0, 10.17112752 ] ]
agm005266311
[ [ 3.26190513, -3.6952494387541566, 0 ], [ 3.26190513, 1.8148089143005919, 0 ], [ 1.6327851359210857, -0.9414463217278141, 5.08556376 ], [ 1.627361631499537, -0.9302843147782139, 0 ], [ 4.891025124078915, -0.9414463217278133, 5.08556376 ], [ 4.896448628500464, -0.930284314778214, 0 ], [ 1.6488464632097437, 0.9273223650543841, 2.5863352583082913 ], [ 1.6488464632097437, 0.9273223650543841, 7.584792261691709 ], [ 4.874963796790257, 0.9273223650543838, 2.5863352583082913 ], [ 4.874963796790257, 0.9273223650543838, 7.584792261691709 ], [ 3.2619051299999997, -1.8145122514926122, 2.5453645326998786 ], [ 3.2619051299999997, -1.8145122514926122, 7.625762987300122 ], [ 3.26190513, 3.683175317508852, 2.5725928444934687 ], [ 3.26190513, 3.683175317508852, 7.5985346755065315 ], [ 3.26190513, 1.850712159119868, 5.08556376 ], [ 3.26190513, -3.673512916285824, 5.08556376 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ -0.22730433, 0, 0 ], [ 0, -0.00355538, 0 ], [ 0, 0, 0.42194293 ] ]
-27.662774
-27.662774
[ [ 0, -0.00371738, 0 ], [ 0, -0.00159244, 0 ], [ -0.00002042, -0.00174953, 0 ], [ 0.00063609, -0.0049703, 0 ], [ 0.00002042, -0.00174953, 0 ], [ -0.00063609, -0.0049703, 0 ], [ -0.00335552, 0.00300367, 0.00424322 ], [ -0.00335552, 0.00300367, -0.00424322 ], [ 0.00335552, 0.00300367, 0.00424322 ], [ 0.00335552, 0.00300367, -0.00424322 ], [ 0, 0.00449482, 0.00577129 ], [ 0, 0.00449482, -0.00577129 ], [ 0, 0.00047196, 0.01422918 ], [ 0, 0.00047196, -0.01422918 ], [ 0, 0.00091656, 0 ], [ 0, -0.00411532, 0 ] ]
pbe
true
38
agm005266311-pbe-16
16
1
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.26119835, -5.50480853, 0 ], [ 3.26119835, 5.50480853, 0 ], [ 0, 0, 10.18182576 ] ]
agm005266311
[ [ 3.26119835, -3.696201155256576, 0 ], [ 3.26119835, 1.8149216103196748, 0 ], [ 1.63238500721646, -0.9418027183184986, 5.09091288 ], [ 1.6271041487283049, -0.9308956007933269, 0 ], [ 4.89001169278354, -0.9418027183184989, 5.09091288 ], [ 4.8952925512716945, -0.9308956007933267, 0 ], [ 1.6481831651593981, 0.9277849435891947, 2.5894975200518497 ], [ 1.6481831651593981, 0.9277849435891947, 7.59232823994815 ], [ 4.874213534840602, 0.9277849435891947, 2.5894975200518497 ], [ 4.874213534840602, 0.9277849435891947, 7.59232823994815 ], [ 3.26119835, -1.814377184756058, 2.548584500509987 ], [ 3.26119835, -1.814377184756058, 7.6332412594900125 ], [ 3.26119835, 3.6837967298112453, 2.5768151397034513 ], [ 3.26119835, 3.6837967298112453, 7.605010620296549 ], [ 3.26119835, 1.851103836018, 5.09091288 ], [ 3.2611983499999995, -3.6744939336840563, 5.09091288 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ -0.35069523, 0, 0 ], [ 0, -0.24055536, 0 ], [ 0, 0, -0.29386291 ] ]
-27.662856
-27.662856
[ [ 0, -0.00290058, 0 ], [ 0, -0.0011555, 0 ], [ 0.00090122, -0.00079843, 0 ], [ -0.00004319, -0.00468537, 0 ], [ -0.00090122, -0.00079843, 0 ], [ 0.00004319, -0.00468537, 0 ], [ -0.0035492, 0.00198161, 0.00306709 ], [ -0.0035492, 0.00198161, -0.00306709 ], [ 0.0035492, 0.00198161, 0.00306709 ], [ 0.0035492, 0.00198161, -0.00306709 ], [ 0, 0.00414674, 0.00544308 ], [ 0, 0.00414674, -0.00544308 ], [ 0, 0.00055405, 0.00959687 ], [ 0, 0.00055405, -0.00959687 ], [ 0, 0.00058661, 0 ], [ 0, -0.00289096, 0 ] ]
pbe
true
38
agm005266311-pbe-17
17
1
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.25988481, -5.50381707, 0 ], [ 3.25988481, 5.50381707, 0 ], [ 0, 0, 10.18235187 ] ]
agm005266311
[ [ 3.25988481, -3.6958472861708347, 0 ], [ 3.25988481, 1.8144635174373762, 0 ], [ 1.631773156309296, -0.9417524148779474, 5.091175935 ], [ 1.6264759086907423, -0.9311880581647651, 0 ], [ 4.887996463690705, -0.9417524148779473, 5.091175935 ], [ 4.8932937113092585, -0.9311880581647651, 0 ], [ 1.6471855983013433, 0.9278504884553466, 2.589975588536335 ], [ 1.6471855983013433, 0.9278504884553466, 7.592376281463665 ], [ 4.872584021698657, 0.9278504884553458, 2.589975588536335 ], [ 4.872584021698657, 0.9278504884553458, 7.592376281463665 ], [ 3.25988481, -1.8136411370907768, 2.5492512722322695 ], [ 3.25988481, -1.8136411370907768, 7.63310059776773 ], [ 3.25988481, 3.683184764314227, 2.5780678371419636 ], [ 3.25988481, 3.683184764314227, 7.604284032858036 ], [ 3.25988481, 1.8508419870486141, 5.091175935 ], [ 3.25988481, -3.674153660960405, 5.091175935 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ -0.06267384, 0, 0 ], [ 0, -0.00268221, 0 ], [ 0, 0, -0.186041 ] ]
-27.662913
-27.662913
[ [ 0, -0.00183679, 0 ], [ 0, -0.0009579, 0 ], [ 0.0012822, 0.0002965, 0 ], [ -0.00043266, -0.00386957, 0 ], [ -0.0012822, 0.0002965, 0 ], [ 0.00043266, -0.00386957, 0 ], [ -0.00293027, 0.00117239, 0.00117611 ], [ -0.00293027, 0.00117239, -0.00117611 ], [ 0.00293027, 0.00117239, 0.00117611 ], [ 0.00293027, 0.00117239, -0.00117611 ], [ 0, 0.00328674, 0.00404442 ], [ 0, 0.00328674, -0.00404442 ], [ 0, 0.00007235, 0.00495852 ], [ 0, 0.00007235, -0.00495852 ], [ 0, -0.00008005, 0 ], [ 0, -0.00138689, 0 ] ]
pbe
true
38
agm005266311-pbe-18
18
1
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.25907367, -5.50320483, 0 ], [ 3.25907367, 5.50320483, 0 ], [ 0, 0, 10.18267676 ] ]
agm005266311
[ [ 3.25907367, -3.6956287753839963, 0 ], [ 3.2590736700000003, 1.81418067086068, 0 ], [ 1.6313953217603174, -0.9417213430409505, 5.09133838 ], [ 1.626087952879459, -0.9313686590827063, 0 ], [ 4.886752018239682, -0.9417213430409506, 5.09133838 ], [ 4.892059387120541, -0.9313686590827057, 0 ], [ 1.6465696013585742, 0.927890963822436, 2.5902709434370816 ], [ 1.6465696013585742, 0.927890963822436, 7.592405816562919 ], [ 4.871577738641426, 0.9278909638224357, 2.5902709434370816 ], [ 4.871577738641426, 0.9278909638224357, 7.592405816562919 ], [ 3.25907367, -1.8131866820042852, 2.5496629376520397 ], [ 3.25907367, -1.8131866820042852, 7.63301382234796 ], [ 3.25907367, 3.6828068584505793, 2.578841499734587 ], [ 3.25907367, 3.6828068584505793, 7.603835260265412 ], [ 3.25907367, 1.8506802366392683, 5.09133838 ], [ 3.25907367, -3.6739435068154775, 5.09133838 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 0.10853684, 0, 0 ], [ 0, 0.13428725, 0 ], [ 0, 0, -0.1301106 ] ]
-27.662922
-27.662922
[ [ 0, -0.00123288, 0 ], [ 0, -0.00082395, 0 ], [ 0.00167268, 0.00101939, 0 ], [ -0.00063859, -0.00338334, 0 ], [ -0.00167268, 0.00101939, 0 ], [ 0.00063859, -0.00338334, 0 ], [ -0.00266322, 0.00056815, -0.00001455 ], [ -0.00266322, 0.00056815, 0.00001455 ], [ 0.00266322, 0.00056815, -0.00001455 ], [ 0.00266322, 0.00056815, 0.00001455 ], [ 0, 0.00289448, 0.00326399 ], [ 0, 0.00289448, -0.00326399 ], [ 0, 0.00000594, 0.00196507 ], [ 0, 0.00000594, -0.00196507 ], [ 0, -0.00076262, 0 ], [ 0, -0.00052609, 0 ] ]
pbe
true
38
agm005266311-pbe-19
19
1
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.24069499, -5.51586171, 0 ], [ 3.24069499, 5.51586171, 0 ], [ 0, 0, 10.19595764 ] ]
agm005266311
[ [ 3.24069499, -3.681893291311037, 0 ], [ 3.24069499, 1.8357362523670182, 0 ], [ 1.6150540141755345, -0.9261514611892673, 5.09797882 ], [ 1.6194222765803552, -0.9188938006684838, 0 ], [ 4.866335965824465, -0.9261514611892672, 5.09797882 ], [ 4.861967703419645, -0.9188938006684833, 0 ], [ 1.6284129042841622, 0.9147679912680206, 2.554963119621699 ], [ 1.6284129042841622, 0.9147679912680206, 7.6409945203783005 ], [ 4.852977075715838, 0.9147679912680204, 2.554963119621699 ], [ 4.852977075715838, 0.9147679912680204, 7.6409945203783005 ], [ 3.2406949900000006, -1.828678486674605, 2.539893290310627 ], [ 3.2406949900000006, -1.828678486674605, 7.656064349689373 ], [ 3.24069499, 3.6783848723117747, 2.5523730405024105 ], [ 3.24069499, 3.6783848723117747, 7.64358459949759 ], [ 3.24069499, 1.8486965416753025, 5.09797882 ], [ 3.24069499, -3.6710209762944563, 5.09797882 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 1.55238546, 0, 0 ], [ 0, -0.23562838, 0 ], [ 0, 0, -0.23577484 ] ]
-27.654457
-27.654457
[ [ 0, -0.01718014, 0 ], [ 0, -0.01252324, 0 ], [ -0.00310311, -0.0196077, 0 ], [ -0.00387877, -0.01702279, 0 ], [ 0.00310311, -0.0196077, 0 ], [ 0.00387877, -0.01702279, 0 ], [ 0.01507876, 0.02086092, 0.0915092 ], [ 0.01507876, 0.02086092, -0.0915092 ], [ -0.01507876, 0.02086092, 0.0915092 ], [ -0.01507876, 0.02086092, -0.0915092 ], [ 0, 0.00941696, 0.05514123 ], [ 0, 0.00941696, -0.05514123 ], [ 0, -0.00453172, 0.08251473 ], [ 0, -0.00453172, -0.08251473 ], [ 0, 0.01671777, 0 ], [ 0, -0.00696758, 0 ] ]
pbe
true
38
agm005266311-pbe-2
2
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.24807633, -5.52234399, 0 ], [ 3.24807633, 5.52234399, 0 ], [ 0, 0, 10.15501045 ] ]
agm005266311
[ [ 3.24807633, -3.686714086552005, 0 ], [ 3.24807633, 1.8380904390361799, 0 ], [ 1.6180993172767013, -0.9277960914749633, 5.077505225 ], [ 1.6225616544619088, -0.9202318055712211, 0 ], [ 4.878053342723298, -0.9277960914749639, 5.077505225 ], [ 4.873591005538092, -0.9202318055712215, 0 ], [ 1.632881507539111, 0.9152917375315268, 2.547066519555415 ], [ 1.632881507539111, 0.9152917375315268, 7.607943930444586 ], [ 4.8632711524608885, 0.9152917375315264, 2.547066519555415 ], [ 4.8632711524608885, 0.9152917375315264, 7.607943930444586 ], [ 3.24807633, -1.8296699689202274, 2.5313694121523276 ], [ 3.24807633, -1.8296699689202274, 7.623641037847673 ], [ 3.24807633, 3.6829992057499323, 2.544239364646135 ], [ 3.24807633, 3.6829992057499323, 7.610771085353865 ], [ 3.24807633, 1.851981343108625, 5.077505225 ], [ 3.24807633, -3.6752149096616287, 5.077505225 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 0.72905513, 0, 0 ], [ 0, -0.69388706, 0 ], [ 0, 0, 1.97635268 ] ]
-27.655567
-27.655567
[ [ 0, -0.01792134, 0 ], [ 0, -0.01579147, 0 ], [ 0.00040093, -0.01972658, 0 ], [ -0.0022435, -0.01719465, 0 ], [ -0.00040093, -0.01972658, 0 ], [ 0.0022435, -0.01719465, 0 ], [ 0.01679103, 0.02532662, 0.08890817 ], [ 0.01679103, 0.02532662, -0.08890817 ], [ -0.01679103, 0.02532662, 0.08890817 ], [ -0.01679103, 0.02532662, -0.08890817 ], [ 0, 0.0078922, 0.04994017 ], [ 0, 0.0078922, -0.04994017 ], [ 0, -0.00694999, 0.0786304 ], [ 0, -0.00694999, -0.0786304 ], [ 0, 0.01210599, 0 ], [ 0, -0.00774161, 0 ] ]
pbe
true
38
agm005266311-pbe-3
3
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.25280903, -5.52035889, 0 ], [ 3.25280903, 5.52035889, 0 ], [ 0, 0, 10.1637753 ] ]
agm005266311
[ [ 3.25280903, -3.6868441117951365, 0 ], [ 3.25280903, 1.8363386625914533, 0 ], [ 1.6202943734618673, -0.9290683414630204, 5.08188765 ], [ 1.6245956929545977, -0.921232081611488, 0 ], [ 4.885323686538133, -0.929068341463021, 5.08188765 ], [ 4.881022367045402, -0.9212320816114876, 0 ], [ 1.6367165051307255, 0.9166412407513859, 2.556471329439069 ], [ 1.6367165051307255, 0.9166412407513859, 7.607303970560931 ], [ 4.868901554869274, 0.9166412407513862, 2.556471329439069 ], [ 4.868901554869274, 0.9166412407513862, 7.607303970560931 ], [ 3.25280903, -1.8280867197155042, 2.537708390408751 ], [ 3.25280903, -1.8280867197155042, 7.626066909591249 ], [ 3.25280903, 3.681257066969746, 2.5528166391166947 ], [ 3.25280903, 3.681257066969746, 7.610958660883304 ], [ 3.25280903, 1.8525344019101135, 5.08188765 ], [ 3.25280903, -3.674421537777792, 5.08188765 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ -0.05542427, 0, 0 ], [ 0, -0.97673142, 0 ], [ 0, 0, 0.94611531 ] ]
-27.659951
-27.659951
[ [ 0, -0.01877087, 0 ], [ 0, -0.01710842, 0 ], [ 0.00364099, -0.0181404, 0 ], [ -0.00196747, -0.01516899, 0 ], [ -0.00364099, -0.0181404, 0 ], [ 0.00196747, -0.01516899, 0 ], [ 0.01430683, 0.0221553, 0.06849701 ], [ 0.01430683, 0.0221553, -0.06849701 ], [ -0.01430683, 0.0221553, 0.06849701 ], [ -0.01430683, 0.0221553, -0.06849701 ], [ 0, 0.00763763, 0.03563972 ], [ 0, 0.00763763, -0.03563972 ], [ 0, -0.00065607, 0.05565372 ], [ 0, -0.00065607, -0.05565372 ], [ 0, 0.00827682, 0 ], [ 0, -0.00836308, 0 ] ]
pbe
true
38
agm005266311-pbe-4
4
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.26432255, -5.51552961, 0 ], [ 3.26432255, 5.51552961, 0 ], [ 0, 0, 10.18509811 ] ]
agm005266311
[ [ 3.26432255, -3.6871573569635743, 0 ], [ 3.26432255, 1.8320793507978983, 0 ], [ 1.6256331195483826, -0.9321599689453922, 5.092549055 ], [ 1.6295412317916937, -0.9236625234070419, 0 ], [ 4.903011980451618, -0.9321599689453923, 5.092549055 ], [ 4.899103868208307, -0.9236625234070415, 0 ], [ 1.6460587691811446, 0.9199206778090256, 2.5793879110713074 ], [ 1.6460587691811446, 0.9199206778090256, 7.605710198928692 ], [ 4.882586330818856, 0.9199206778090256, 2.5793879110713074 ], [ 4.882586330818856, 0.9199206778090256, 7.605710198928692 ], [ 3.26432255, -1.8242370398666237, 2.553150690936023 ], [ 3.26432255, -1.8242370398666237, 7.631947419063977 ], [ 3.26432255, 3.6770199238509864, 2.5737156262318868 ], [ 3.26432255, 3.6770199238509864, 7.611382483768114 ], [ 3.26432255, 1.8538773856801714, 5.092549055 ], [ 3.26432255, -3.672490129692886, 5.092549055 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ -1.94242286, 0, 0 ], [ 0, -1.59602856, 0 ], [ 0, 0, -1.67365383 ] ]
-27.664549
-27.664549
[ [ 0, -0.02025226, 0 ], [ 0, -0.01999176, 0 ], [ 0.01150835, -0.01449059, 0 ], [ -0.00123465, -0.0108341, 0 ], [ -0.01150835, -0.01449059, 0 ], [ 0.00123465, -0.0108341, 0 ], [ 0.0077935, 0.01505441, 0.02265929 ], [ 0.0077935, 0.01505441, -0.02265929 ], [ -0.0077935, 0.01505441, 0.02265929 ], [ -0.0077935, 0.01505441, -0.02265929 ], [ 0, 0.00776853, -0.00110617 ], [ 0, 0.00776853, 0.00110617 ], [ 0, 0.01428201, 0.00629692 ], [ 0, 0.01428201, -0.00629692 ], [ 0, -0.004183, 0 ], [ 0, -0.00924234, 0 ] ]
pbe
true
38
agm005266311-pbe-5
5
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.25795329, -5.50044062, 0 ], [ 3.25795329, 5.50044062, 0 ], [ 0, 0, 10.16506772 ] ]
agm005266311
[ [ 3.2579532900000006, -3.6803150064538395, 0 ], [ 3.2579532899999997, 1.8241150831278463, 0 ], [ 1.6235879250992744, -0.9323410764030478, 5.08253386 ], [ 1.625988808617274, -0.9232724449484474, 0 ], [ 4.892318654900726, -0.9323410764030475, 5.08253386 ], [ 4.889917771382727, -0.9232724449484477, 0 ], [ 1.6447453344007974, 0.9202490177528518, 2.5819935787722117 ], [ 1.6447453344007974, 0.9202490177528518, 7.5830741412277884 ], [ 4.871161245599202, 0.9202490177528522, 2.5819935787722117 ], [ 4.871161245599202, 0.9202490177528522, 7.5830741412277884 ], [ 3.2579532899999997, -1.817735232061521, 2.5510234636483333 ], [ 3.2579532899999997, -1.817735232061521, 7.614044256351667 ], [ 3.2579532900000006, 3.6682003959971023, 2.5739642934308606 ], [ 3.2579532900000006, 3.6682003959971023, 7.591103426569139 ], [ 3.2579532899999997, 1.8492382356508836, 5.08253386 ], [ 3.25795329, -3.663824905492704, 5.08253386 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 0.54727295, 0, 0 ], [ 0, 1.21091845, 0 ], [ 0, 0, 0.56918334 ] ]
-27.66602
-27.66602
[ [ 0, -0.01718617, 0 ], [ 0, -0.01680937, 0 ], [ 0.01288022, -0.00963491, 0 ], [ -0.00060082, -0.00735044, 0 ], [ -0.01288022, -0.00963491, 0 ], [ 0.00060082, -0.00735044, 0 ], [ 0.00151675, 0.00792707, 0.00056728 ], [ 0.00151675, 0.00792707, -0.00056728 ], [ -0.00151675, 0.00792707, 0.00056728 ], [ -0.00151675, 0.00792707, -0.00056728 ], [ 0, 0.006794, -0.01520331 ], [ 0, 0.006794, 0.01520331 ], [ 0, 0.01919124, -0.01016586 ], [ 0, 0.01919124, 0.01016586 ], [ 0, -0.00673397, 0 ], [ 0, -0.00897858, 0 ] ]
pbe
true
38
agm005266311-pbe-6
6
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.25925958, -5.50353527, 0 ], [ 3.25925958, 5.50353527, 0 ], [ 0, 0, 10.16917582 ] ]
agm005266311
[ [ 3.25925958, -3.6817179310968804, 0 ], [ 3.25925958, 1.8257488443585967, 0 ], [ 1.6240073064837337, -0.9323036077783324, 5.08458791 ], [ 1.6267174134170994, -0.9233521626970302, 0 ], [ 4.894511853516267, -0.9323036077783322, 5.08458791 ], [ 4.891801746582901, -0.9233521626970296, 0 ], [ 1.6450145707732615, 0.9201813558865722, 2.581458501835566 ], [ 1.6450145707732615, 0.9201813558865722, 7.587717318164434 ], [ 4.873504589226739, 0.9201813558865717, 2.581458501835566 ], [ 4.873504589226739, 0.9201813558865717, 7.587717318164434 ], [ 3.25925958, -1.8190688733892815, 2.5514595348583238 ], [ 3.25925958, -1.8190688733892815, 7.617716285141675 ], [ 3.25925958, 3.670009049739251, 2.5739128716853674 ], [ 3.25925958, 3.670009049739251, 7.595262948314631 ], [ 3.2592595800000006, 1.8501896042098458, 5.08458791 ], [ 3.25925958, -3.66560192876574, 5.08458791 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 0.02532376, 0, 0 ], [ 0, 0.62242238, 0 ], [ 0, 0, 0.09344483 ] ]
-27.666126
-27.666126
[ [ 0, -0.01765971, 0 ], [ 0, -0.01731032, 0 ], [ 0.01256252, -0.01059228, 0 ], [ -0.0007028, -0.00793414, 0 ], [ -0.01256252, -0.01059228, 0 ], [ 0.0007028, -0.00793414, 0 ], [ 0.00291145, 0.00939665, 0.00514306 ], [ 0.00291145, 0.00939665, -0.00514306 ], [ -0.00291145, 0.00939665, 0.00514306 ], [ -0.00291145, 0.00939665, -0.00514306 ], [ 0, 0.00685842, -0.01275719 ], [ 0, 0.00685842, 0.01275719 ], [ 0, 0.01809515, -0.00698317 ], [ 0, 0.01809515, 0.00698317 ], [ 0, -0.00667431, 0 ], [ 0, -0.00879655, 0 ] ]
pbe
true
38
agm005266311-pbe-7
7
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.25852532, -5.50657352, 0 ], [ 3.25852532, 5.50657352, 0 ], [ 0, 0, 10.16788808 ] ]
agm005266311
[ [ 3.25852532, -3.6860248742307764, 0 ], [ 3.25852532, 1.8245582022120768, 0 ], [ 1.625098460152559, -0.9342885450710671, 5.08394404 ], [ 1.626227669516952, -0.9249754975396319, 0 ], [ 4.89195217984744, -0.934288545071067, 5.08394404 ], [ 4.890822970483049, -0.9249754975396325, 0 ], [ 1.6452024860636034, 0.922050681014484, 2.5827018343186983 ], [ 1.6452024860636034, 0.922050681014484, 7.585186245681302 ], [ 4.871848153936396, 0.9220506810144844, 2.5827018343186983 ], [ 4.871848153936396, 0.9220506810144844, 7.585186245681302 ], [ 3.25852532, -1.8191559231945453, 2.550201400217548 ], [ 3.25852532, -1.8191559231945453, 7.6176866797824525 ], [ 3.2585253200000004, 3.6740839796841267, 2.5735777816289915 ], [ 3.2585253200000004, 3.6740839796841267, 7.59431029837101 ], [ 3.25852532, 1.8505755506479025, 5.08394404 ], [ 3.25852532, -3.6687267444379885, 5.08394404 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 0.12963073, 0, 0 ], [ 0, 0.32894651, 0 ], [ 0, 0, 0.09687174 ] ]
-27.66651
-27.66651
[ [ 0, -0.01501837, 0 ], [ 0, -0.01334241, 0 ], [ 0.00969959, -0.00962916, 0 ], [ -0.00077788, -0.00639872, 0 ], [ -0.00969959, -0.00962916, 0 ], [ 0.00077788, -0.00639872, 0 ], [ 0.00206072, 0.00720836, 0.00281804 ], [ 0.00206072, 0.00720836, -0.00281804 ], [ -0.00206072, 0.00720836, 0.00281804 ], [ -0.00206072, 0.00720836, -0.00281804 ], [ 0, 0.00529316, -0.01042608 ], [ 0, 0.00529316, 0.01042608 ], [ 0, 0.01538835, -0.00554268 ], [ 0, 0.01538835, 0.00554268 ], [ 0, -0.00379069, 0 ], [ 0, -0.00598925, 0 ] ]
pbe
true
38
agm005266311-pbe-8
8
0
[ "Cd", "Mg", "Sn" ]
16
A14BC
CdMg14Sn
Mg14 Cd Sn
3
[ 1, 1, 1 ]
3
[ [ 3.2565648, -5.51468574, 0 ], [ 3.2565648, 5.51468574, 0 ], [ 0, 0, 10.16444978 ] ]
agm005266311
[ [ 3.2565648, -3.6975333697839905, 0 ], [ 3.2565647999999996, 1.8213704430448212, 0 ], [ 1.628009662698, -0.939594196814924, 5.08222489 ], [ 1.6249200945409439, -0.9293141608332748, 0 ], [ 4.885119937302001, -0.939594196814924, 5.08222489 ], [ 4.888209505459056, -0.9293141608332749, 0 ], [ 1.645703360831952, 0.9270470735255611, 2.5860200005730176 ], [ 1.645703360831952, 0.9270470735255611, 7.578429779426982 ], [ 4.867426239168048, 0.9270470735255607, 2.5860200005730176 ], [ 4.867426239168048, 0.9270470735255607, 7.578429779426982 ], [ 3.2565648, -1.819384604709847, 2.5468429584969687 ], [ 3.2565648, -1.819384604709847, 7.617606821503031 ], [ 3.2565648, 3.6849720186054173, 2.5726830227276847 ], [ 3.2565648, 3.6849720186054173, 7.591766757272316 ], [ 3.2565648, 1.8516034943835082, 5.08222489 ], [ 3.2565648000000005, -3.677074547450879, 5.08222489 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Cd", "Sn" ]
2024-05-07 00:00:00
[ 0.0625, 0.875, 0.0625 ]
[ [ 0.40113756, 0, 0 ], [ 0, -0.43547983, 0 ], [ 0, 0, 0.11861727 ] ]
-27.666861
-27.666861
[ [ 0, -0.00502198, 0 ], [ 0, -0.00119104, 0 ], [ 0.0010644, -0.00521289, 0 ], [ -0.0008351, -0.00189261, 0 ], [ -0.0010644, -0.00521289, 0 ], [ 0.0008351, -0.00189261, 0 ], [ -0.0007022, 0.00000365, -0.00790948 ], [ -0.0007022, 0.00000365, 0.00790948 ], [ 0.0007022, 0.00000365, -0.00790948 ], [ 0.0007022, 0.00000365, 0.00790948 ], [ 0, 0.00040717, -0.00619675 ], [ 0, 0.00040717, 0.00619675 ], [ 0, 0.0071107, -0.00528576 ], [ 0, 0.0071107, 0.00528576 ], [ 0, 0.0083328, 0 ], [ 0, -0.0029591, 0 ] ]
pbe
true
38
agm005266311-pbe-9
9
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.504301, 0, 0 ], [ 0, 6.736154, 0 ], [ 0, 2.234801, 15.875151 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.7521505, 2.2384983204499997, 11.110668931578001 ], [ 2.7521505, 6.73245667955, 4.764482068422001 ], [ 2.7521505, 3.3854929137010004, 14.282635227435 ], [ 0, 3.368077, 0 ], [ 2.7521505, 5.596882778735001, 11.089285103181 ], [ 0, 7.825022486627, 12.686325293781001 ], [ 2.7521505, 1.1174005, 7.9375755 ], [ 0, 3.3702667679, 9.49699158273 ], [ 2.7521505, 3.374072221265, 4.785865896819 ], [ 0, 5.6006882321, 6.378159417270001 ], [ 2.7521505, 5.5854620862990005, 1.592515772565 ], [ 0, 1.1459325133729998, 3.188825706219 ], [ 4.140093022956, 4.461289406106999, 15.089061147933 ], [ 1.364207977044, 4.461289406106999, 15.089061147933 ], [ 0, 6.743859271569, 14.305241442459002 ], [ 2.7521505, 0, 0 ], [ 4.115901620061, 6.746773345527, 11.901140325321 ], [ 4.129155976869, 2.235911247827, 13.495799243271001 ], [ 1.388399379939, 6.746773345527, 11.901140325321 ], [ 1.375145023131, 2.235911247827, 13.495799243271001 ], [ 2.7521505, 4.46347490813, 12.689928953058 ], [ 0, 2.233768834531, 11.118463630719 ], [ 4.115334677058001, 4.466121123726, 10.327230229728 ], [ 4.115444763078, 2.2398578158589997, 8.751510366921 ], [ 1.388966322942, 4.466121123726, 10.327230229728 ], [ 1.3888562369219999, 2.2398578158589997, 8.751510366921 ], [ 2.7521505, 6.74887330986, 9.542743767912 ], [ 0, 4.4854775, 7.9375755 ], [ 1.388966322942, 4.504833876274, 5.547920770272 ], [ 1.3888562369219999, 6.7310971841409994, 7.123640633079 ], [ 4.115444763078, 6.7310971841409994, 7.123640633079 ], [ 4.115334677058001, 4.504833876274, 5.547920770272 ], [ 0, 6.737186165469, 4.756687369281 ], [ 2.7521505, 2.22208169014, 6.332407232088 ], [ 1.375145023131, 6.7350437521729996, 2.379351756729 ], [ 4.129155976869, 6.7350437521729996, 2.379351756729 ], [ 1.388399379939, 2.224181654473, 3.9740106746790005 ], [ 4.115901620061, 2.224181654473, 3.9740106746790005 ], [ 0, 2.2270957284310002, 1.5699095575410003 ], [ 2.7521505, 4.50748009187, 3.185222046942 ], [ 1.364207977044, 4.509665593893, 0.786089852067 ], [ 4.140093022956, 4.509665593893, 0.786089852067 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -6.34997353, 0, 0 ], [ 0, -3.73080159, -0.0604887 ], [ 0, -0.06048875, -3.78769031 ] ]
-311.449109
-376.439109
[ [ 0, 0, 0 ], [ 0, -0.00796851, 0.00554273 ], [ 0, 0.00796851, -0.00554273 ], [ 0, -0.11061913, -0.01038692 ], [ 0, 0, 0 ], [ 0, 0.10710604, 0.20354604 ], [ 0, -0.02220731, 0.12134379 ], [ 0, 0, 0 ], [ 0, -0.079875, 0.1360718 ], [ 0, -0.10710604, -0.20354604 ], [ 0, 0.079875, -0.1360718 ], [ 0, 0.11061913, 0.01038692 ], [ 0, 0.02220731, -0.12134379 ], [ 0.05298052, -0.01985742, 0.03003484 ], [ -0.05298052, -0.01985742, 0.03003484 ], [ 0, 0.04485488, 0.0252617 ], [ 0, 0, 0 ], [ -0.07375958, -0.00312301, -0.05749089 ], [ -0.01329421, 0.00289367, 0.00235912 ], [ 0.07375958, -0.00312301, -0.05749089 ], [ 0.01329421, 0.00289367, 0.00235912 ], [ 0, -0.04205391, -0.06749107 ], [ 0, 0.07757175, -0.11967735 ], [ 0.0485313, -0.12292554, -0.05122759 ], [ 0.01190686, 0.02848777, 0.0618795 ], [ -0.0485313, -0.12292554, -0.05122759 ], [ -0.01190686, 0.02848777, 0.0618795 ], [ 0, 0.06395636, -0.02994272 ], [ 0, 0, 0 ], [ -0.0485313, 0.12292554, 0.05122759 ], [ -0.01190686, -0.02848777, -0.0618795 ], [ 0.01190686, -0.02848777, -0.0618795 ], [ 0.0485313, 0.12292554, 0.05122759 ], [ 0, -0.07757175, 0.11967735 ], [ 0, -0.06395636, 0.02994272 ], [ 0.01329421, -0.00289367, -0.00235912 ], [ -0.01329421, -0.00289367, -0.00235912 ], [ 0.07375958, 0.00312301, 0.05749089 ], [ -0.07375958, 0.00312301, 0.05749089 ], [ 0, -0.04485488, -0.0252617 ], [ 0, 0.04205391, 0.06749107 ], [ -0.05298052, 0.01985742, -0.03003484 ], [ 0.05298052, 0.01985742, -0.03003484 ] ]
pbe
true
10
agm005266323-pbe-0
0
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.48989451, 0, 0 ], [ 0, 6.72579546, -0.00016795 ], [ 0, 2.23096863, 15.85031098 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.744947255, 2.2343951838596254, 11.093534063002991 ], [ 2.744947255, 6.722368906140373, 4.7566089669970095 ], [ 2.744947255, 3.3746024684785723, 14.259752650254883 ], [ 0, 3.36289773, -0.000083975 ], [ 2.744947255, 5.593158532675777, 11.081637071452652 ], [ 0, 7.811603406597347, 12.672169141984224 ], [ 2.744947255, 1.115484315, 7.92515549 ], [ 0, 3.3609997440272954, 9.488635222226668 ], [ 2.744947255, 3.363605557324222, 4.768505958547348 ], [ 0, 5.595764345972704, 6.361507807773331 ], [ 2.744947255, 5.582161621521427, 1.5903903797451162 ], [ 0, 1.1451606834026522, 3.1779738880157735 ], [ 4.1318063275792785, 4.453096334016015, 15.06683954679598 ], [ 1.3580881824207216, 4.453096334016015, 15.06683954679598 ], [ 0, 6.735292785253, 14.283956722765682 ], [ 2.744947255, 0, 0 ], [ 4.101579956588231, 6.735951422807198, 11.879622825368443 ], [ 4.117708992163885, 2.232275906799938, 13.474787485418874 ], [ 1.3883145534117698, 6.735951422807198, 11.879622825368443 ], [ 1.3721855178361153, 2.232275906799938, 13.474787485418874 ], [ 2.744947255, 4.454269178642263, 12.666755278371607 ], [ 0, 2.2337933366924982, 11.095285226543595 ], [ 4.1068986761874084, 4.453074759207416, 10.30852871741406 ], [ 4.105246272838843, 2.237567428954989, 8.74077212392892 ], [ 1.3829958338125916, 4.453074759207416, 10.30852871741406 ], [ 1.3846482371611566, 2.237567428954989, 8.74077212392892 ], [ 2.744947255, 6.741338030820872, 9.52623505852256 ], [ 0, 4.478382045, 7.925071515 ], [ 1.3829958338125916, 4.503689330792583, 5.541614312585943 ], [ 1.3846482371611566, 6.71919666104501, 7.109370906071079 ], [ 4.105246272838843, 6.71919666104501, 7.109370906071079 ], [ 4.1068986761874084, 4.503689330792583, 5.541614312585943 ], [ 0, 6.722970753307501, 4.754857803456406 ], [ 2.744947255, 2.2154260591791277, 6.323907971477438 ], [ 1.3721855178361153, 6.724488183200061, 2.375355544581126 ], [ 4.117708992163885, 6.724488183200061, 2.375355544581126 ], [ 1.3883145534117698, 2.220812667192801, 3.9705202046315553 ], [ 4.101579956588231, 2.220812667192801, 3.9705202046315553 ], [ 0, 2.2214713047470007, 1.5661863072343167 ], [ 2.744947255, 4.502494911357737, 3.183387751628395 ], [ 1.3580881824207216, 4.503667755983986, 0.7833034832040199 ], [ 4.1318063275792785, 4.503667755983986, 0.7833034832040199 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ 7.6334456, 0, 0 ], [ 0, 7.67133727, 1.24876141 ], [ 0, 1.24876154, 7.12576193 ] ]
-311.450414
-376.440414
[ [ 0, 0, 0 ], [ 0, 0.01119221, -0.01654096 ], [ 0, -0.01119221, 0.01654096 ], [ 0, 0.07620739, 0.09737687 ], [ 0, 0, 0 ], [ 0, -0.19885206, -0.12617402 ], [ 0, 0.01070455, 0.04180748 ], [ 0, 0, 0 ], [ 0, 0.21811239, -0.08862814 ], [ 0, 0.19885206, 0.12617402 ], [ 0, -0.21811239, 0.08862814 ], [ 0, -0.07620739, -0.09737687 ], [ 0, -0.01070455, -0.04180748 ], [ -0.02908456, -0.06655973, -0.02494694 ], [ 0.02908456, -0.06655973, -0.02494694 ], [ 0, 0.08942364, -0.10189344 ], [ 0, 0, 0 ], [ 0.04456103, 0.06562891, 0.01441274 ], [ 0.03230016, -0.04144785, -0.03595903 ], [ -0.04456103, 0.06562891, 0.01441274 ], [ -0.03230016, -0.04144785, -0.03595903 ], [ 0, -0.01813595, -0.0490871 ], [ 0, -0.10354867, 0.11137381 ], [ -0.10399881, 0.02572492, 0.06149827 ], [ -0.09323686, -0.09292392, -0.01847074 ], [ 0.10399881, 0.02572492, 0.06149827 ], [ 0.09323686, -0.09292392, -0.01847074 ], [ 0, 0.02529809, 0.00042851 ], [ 0, 0, 0 ], [ 0.10399881, -0.02572492, -0.06149827 ], [ 0.09323686, 0.09292392, 0.01847074 ], [ -0.09323686, 0.09292392, 0.01847074 ], [ -0.10399881, -0.02572492, -0.06149827 ], [ 0, 0.10354867, -0.11137381 ], [ 0, -0.02529809, -0.00042851 ], [ -0.03230016, 0.04144785, 0.03595903 ], [ 0.03230016, 0.04144785, 0.03595903 ], [ -0.04456103, -0.06562891, -0.01441274 ], [ 0.04456103, -0.06562891, -0.01441274 ], [ 0, -0.08942364, 0.10189344 ], [ 0, 0.01813595, 0.0490871 ], [ 0.02908456, 0.06655973, 0.02494694 ], [ -0.02908456, 0.06655973, 0.02494694 ] ]
pbe
true
10
agm005266323-pbe-1
1
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49462724, 0, 0 ], [ 0, 6.73481642, 0.00240016 ], [ 0, 2.24001299, 15.8712931 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74731362, 2.241358369209791, 11.106469849641082 ], [ 2.74731362, 6.733471040790208, 4.767223410358919 ], [ 2.74731362, 3.3847448692508224, 14.280153406032943 ], [ 0, 3.36740821, 0.00120008 ], [ 2.74731362, 5.601511981533479, 11.094899055057805 ], [ 0, 7.827856017126335, 12.690523424089516 ], [ 2.74731362, 1.120006495, 7.93564655 ], [ 0, 3.37196251161677, 9.500570480505724 ], [ 2.74731362, 3.373317428466521, 4.778794204942197 ], [ 0, 5.60286689838323, 6.3731227794942775 ], [ 2.74731362, 5.590084540749177, 1.5935398539670595 ], [ 0, 1.146973392873665, 3.1831698359104843 ], [ 4.136274065788848, 4.460943066430968, 15.08762127468576 ], [ 1.358353174211152, 4.460943066430968, 15.08762127468576 ], [ 0, 6.75237415175424, 14.304238977028586 ], [ 2.74731362, 0, 0 ], [ 4.105290082567577, 6.752493778778012, 11.896112192020285 ], [ 4.1211652694819305, 2.2389524332276607, 13.49187117575524 ], [ 1.3893371574324223, 6.752493778778012, 11.896112192020285 ], [ 1.3734619705180697, 2.2389524332276607, 13.49187117575524 ], [ 2.74731362, 4.460598992871134, 12.681836174636427 ], [ 0, 2.2385789078976996, 11.112625182732828 ], [ 4.106464998710307, 4.460315908988836, 10.325397067105975 ], [ 4.106766873530872, 2.241234622265152, 8.755556270365583 ], [ 1.3881622412896932, 4.460315908988836, 10.325397067105975 ], [ 1.3878603664691276, 2.241234622265152, 8.755556270365583 ], [ 2.74731362, 6.753824858861888, 9.541745235433575 ], [ 0, 4.487414705, 7.936846630000001 ], [ 1.3881622412896932, 4.514513501011164, 5.548296192894026 ], [ 1.3878603664691276, 6.733594787734847, 7.118136989634418 ], [ 4.106766873530872, 6.733594787734847, 7.118136989634418 ], [ 4.106464998710307, 4.514513501011164, 5.548296192894026 ], [ 0, 6.7362505021023, 4.761068077267173 ], [ 2.74731362, 2.2210045511381113, 6.331948024566424 ], [ 1.3734619705180697, 6.735876976772339, 2.3818220842447615 ], [ 4.1211652694819305, 6.735876976772339, 2.3818220842447615 ], [ 1.3893371574324223, 2.222335631221987, 3.977581067979717 ], [ 4.105290082567577, 2.222335631221987, 3.977581067979717 ], [ 0, 2.2224552582457595, 1.5694542829714149 ], [ 2.74731362, 4.514230417128865, 3.1918570853635737 ], [ 1.358353174211152, 4.513886343569032, 0.7860719853142384 ], [ 4.136274065788848, 4.513886343569032, 0.7860719853142384 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ 0.06985961, 0, 0 ], [ 0, -0.15718183, 0.04918504 ], [ 0, 0.04918504, -0.17386164 ] ]
-311.460889
-376.450889
[ [ 0, 0, 0 ], [ 0, -0.00124773, -0.00831036 ], [ 0, 0.00124773, 0.00831036 ], [ 0, 0.00916239, -0.0004613 ], [ 0, 0, 0 ], [ 0, -0.01039378, 0.0104823 ], [ 0, -0.00774467, -0.00543031 ], [ 0, 0, 0 ], [ 0, -0.01086365, 0.01353867 ], [ 0, 0.01039378, -0.0104823 ], [ 0, 0.01086365, -0.01353867 ], [ 0, -0.00916239, 0.0004613 ], [ 0, 0.00774467, 0.00543031 ], [ -0.00385467, -0.00246485, -0.00222139 ], [ 0.00385467, -0.00246485, -0.00222139 ], [ 0, 0.00073552, -0.01048159 ], [ 0, 0, 0 ], [ -0.00040786, -0.00593702, -0.00237829 ], [ 0.00141941, -0.00615965, 0.00164591 ], [ 0.00040786, -0.00593702, -0.00237829 ], [ -0.00141941, -0.00615965, 0.00164591 ], [ 0, 0.00237394, -0.00470219 ], [ 0, -0.00124899, 0.00619293 ], [ -0.0000546, 0.00140115, 0.00105659 ], [ -0.00213699, -0.0081248, -0.00100666 ], [ 0.0000546, 0.00140115, 0.00105659 ], [ 0.00213699, -0.0081248, -0.00100666 ], [ 0, -0.01158272, -0.01213489 ], [ 0, 0, 0 ], [ 0.0000546, -0.00140115, -0.00105659 ], [ 0.00213699, 0.0081248, 0.00100666 ], [ -0.00213699, 0.0081248, 0.00100666 ], [ -0.0000546, -0.00140115, -0.00105659 ], [ 0, 0.00124899, -0.00619293 ], [ 0, 0.01158272, 0.01213489 ], [ -0.00141941, 0.00615965, -0.00164591 ], [ 0.00141941, 0.00615965, -0.00164591 ], [ 0.00040786, 0.00593702, 0.00237829 ], [ -0.00040786, 0.00593702, 0.00237829 ], [ 0, -0.00073552, 0.01048159 ], [ 0, -0.00237394, 0.00470219 ], [ 0.00385467, 0.00246485, 0.00222139 ], [ -0.00385467, 0.00246485, 0.00222139 ] ]
pbe
true
10
agm005266323-pbe-10
10
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49486029, 0, 0 ], [ 0, 6.73456539, 0.00226423 ], [ 0, 2.23960919, 15.87122604 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.747430145, 2.2409286913257453, 11.105823978310431 ], [ 2.747430145, 6.733245888674255, 4.767666291689569 ], [ 2.747430145, 3.3843304518484745, 14.279939897374373 ], [ 0, 3.367282695, 0.001132115 ], [ 2.747430145, 5.600862630673136, 11.094654958189931 ], [ 0, 7.827137268964348, 12.690160001605639 ], [ 2.747430145, 1.119804595, 7.93561302 ], [ 0, 3.371329140559169, 9.500629692956062 ], [ 2.747430145, 3.373311949326864, 4.778835311810069 ], [ 0, 5.602845439440831, 6.372860577043938 ], [ 2.747430145, 5.589844128151526, 1.5935503726256277 ], [ 0, 1.1470373110356518, 3.183330268394361 ], [ 4.136437083995452, 4.460258673943994, 15.087443424028686 ], [ 1.3584232060045474, 4.460258673943994, 15.087443424028686 ], [ 0, 6.751674378042171, 14.303984393622967 ], [ 2.747430145, 0, 0 ], [ 4.105332163506041, 6.751800420283051, 11.895729975960643 ], [ 4.121390563011948, 2.2382634479448056, 13.491803809441183 ], [ 1.3895281264939592, 6.751800420283051, 11.895729975960643 ], [ 1.3734697269880516, 2.2382634479448056, 13.491803809441183 ], [ 2.747430145, 4.459861065917435, 12.681680177170794 ], [ 0, 2.2382994832179772, 11.112852444271597 ], [ 4.106781542804734, 4.459599506363109, 10.325394762866912 ], [ 4.106909792843903, 2.2405184154100564, 8.755770531367942 ], [ 1.3880787471952658, 4.459599506363109, 10.325394762866912 ], [ 1.3879504971560972, 2.2405184154100564, 8.755770531367942 ], [ 2.747430145, 6.752716328896223, 9.541084694810245 ], [ 0, 4.48708729, 7.936745135 ], [ 1.3880787471952658, 4.514575073636891, 5.5480955071330875 ], [ 1.3879504971560972, 6.733656164589942, 7.117719738632057 ], [ 4.106909792843903, 6.733656164589942, 7.117719738632057 ], [ 4.106781542804734, 4.514575073636891, 5.5480955071330875 ], [ 0, 6.7358750967820225, 4.760637825728403 ], [ 2.747430145, 2.221458251103778, 6.332405575189754 ], [ 1.3734697269880516, 6.735911132055195, 2.3816864605588157 ], [ 4.121390563011948, 6.735911132055195, 2.3816864605588157 ], [ 1.3895281264939592, 2.222374159716949, 3.9777602940393564 ], [ 4.105332163506041, 2.222374159716949, 3.9777602940393564 ], [ 0, 2.222500201957829, 1.569505876377034 ], [ 2.747430145, 4.514313514082565, 3.191810092829207 ], [ 1.3584232060045474, 4.513915906056006, 0.7860468459713122 ], [ 4.136437083995452, 4.513915906056006, 0.7860468459713122 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ 0.01053951, 0, 0 ], [ 0, -0.11645128, 0.09657244 ], [ 0, 0.09657223, -0.20224013 ] ]
-311.460968
-376.450968
[ [ 0, 0, 0 ], [ 0, -0.00150407, -0.00759566 ], [ 0, 0.00150407, 0.00759566 ], [ 0, 0.00039528, 0.00213397 ], [ 0, 0, 0 ], [ 0, -0.01127297, 0.00763534 ], [ 0, -0.00760115, -0.0005655 ], [ 0, 0, 0 ], [ 0, -0.00591138, 0.00641585 ], [ 0, 0.01127297, -0.00763534 ], [ 0, 0.00591138, -0.00641585 ], [ 0, -0.00039528, -0.00213397 ], [ 0, 0.00760115, 0.0005655 ], [ -0.00075495, 0.0009792, -0.0003696 ], [ 0.00075495, 0.0009792, -0.0003696 ], [ 0, -0.00124667, -0.00937759 ], [ 0, 0, 0 ], [ 0.00205615, -0.00467567, -0.00231065 ], [ -0.00034883, -0.00449033, 0.00172085 ], [ -0.00205615, -0.00467567, -0.00231065 ], [ 0.00034883, -0.00449033, 0.00172085 ], [ 0, 0.00435769, -0.00730566 ], [ 0, -0.00253281, 0.00319426 ], [ -0.0032447, 0.00230959, 0.00160055 ], [ 0.00102756, -0.00489511, 0.00140401 ], [ 0.0032447, 0.00230959, 0.00160055 ], [ -0.00102756, -0.00489511, 0.00140401 ], [ 0, -0.01263175, -0.00822594 ], [ 0, 0, 0 ], [ 0.0032447, -0.00230959, -0.00160055 ], [ -0.00102756, 0.00489511, -0.00140401 ], [ 0.00102756, 0.00489511, -0.00140401 ], [ -0.0032447, -0.00230959, -0.00160055 ], [ 0, 0.00253281, -0.00319426 ], [ 0, 0.01263175, 0.00822594 ], [ 0.00034883, 0.00449033, -0.00172085 ], [ -0.00034883, 0.00449033, -0.00172085 ], [ -0.00205615, 0.00467567, 0.00231065 ], [ 0.00205615, 0.00467567, 0.00231065 ], [ 0, 0.00124667, 0.00937759 ], [ 0, -0.00435769, 0.00730566 ], [ 0.00075495, -0.0009792, 0.0003696 ], [ -0.00075495, -0.0009792, 0.0003696 ] ]
pbe
true
10
agm005266323-pbe-11
11
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.4953615, 0, 0 ], [ 0, 6.73402546, 0.00197189 ], [ 0, 2.23874073, 15.87108181 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74768075, 2.2400047130877403, 11.104435046664333 ], [ 2.74768075, 6.73276147691226, 4.768618653335667 ], [ 2.74768075, 3.3834391164565787, 14.279480576387343 ], [ 0, 3.36701273, 0.000985945 ], [ 2.74768075, 5.5994659306090195, 11.094129987497162 ], [ 0, 7.825591456071467, 12.689378641671064 ], [ 2.74768075, 1.119370365, 7.935540905 ], [ 0, 3.369967078983131, 9.50075702343372 ], [ 2.74768075, 3.3733002593909793, 4.778923712502837 ], [ 0, 5.602799111016868, 6.372296676566279 ], [ 2.74768075, 5.589327073543422, 1.5935731236126571 ], [ 0, 1.1471747339285323, 3.1836750583289346 ], [ 4.13678767887592, 4.458786801503189, 15.087061042712898 ], [ 1.3585738211240799, 4.458786801503189, 15.087061042712898 ], [ 0, 6.750169339500662, 14.303436658801049 ], [ 2.74768075, 0, 0 ], [ 4.105422518439365, 6.750309217073113, 11.89490780141018 ], [ 4.121875136187829, 2.2367817044469867, 13.491659017151143 ], [ 1.3899389815606347, 6.750309217073113, 11.89490780141018 ], [ 1.37348636381217, 2.2367817044469867, 13.491659017151143 ], [ 2.74768075, 4.458274020567531, 12.68134470985188 ], [ 0, 2.237698547943465, 11.113341013278237 ], [ 4.107462396628165, 4.458058705133885, 10.325389709493624 ], [ 4.107217083690805, 2.238977989619571, 8.756231242295193 ], [ 1.387899103371835, 4.458058705133885, 10.325389709493624 ], [ 1.388144416309195, 2.238977989619571, 8.756231242295193 ], [ 2.74768075, 6.750332244746101, 9.53966386594076 ], [ 0, 4.486383095, 7.93652685 ], [ 1.387899103371835, 4.514707484866114, 5.547663990506375 ], [ 1.388144416309195, 6.733788200380428, 7.116822457704805 ], [ 4.107217083690805, 6.733788200380428, 7.116822457704805 ], [ 4.107462396628165, 4.514707484866114, 5.547663990506375 ], [ 0, 6.735067642056535, 4.7597126867217625 ], [ 2.74768075, 2.222433945253899, 6.333389834059241 ], [ 1.37348636381217, 6.735984485553013, 2.3813946828488564 ], [ 4.121875136187829, 6.735984485553013, 2.3813946828488564 ], [ 1.3899389815606347, 2.222456972926887, 3.978145898589819 ], [ 4.105422518439365, 2.222456972926887, 3.978145898589819 ], [ 0, 2.222596850499338, 1.5696170411989514 ], [ 2.74768075, 4.514492169432469, 3.1917089901481206 ], [ 1.3585738211240799, 4.513979388496811, 0.7859926572871017 ], [ 4.13678767887592, 4.513979388496811, 0.7859926572871017 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.10515998, 0, 0 ], [ 0, -0.02293312, 0.19713765 ], [ 0, 0.19713757, -0.25555741 ] ]
-311.461031
-376.451031
[ [ 0, 0, 0 ], [ 0, -0.00184683, -0.00481168 ], [ 0, 0.00184683, 0.00481168 ], [ 0, -0.01875235, 0.00905003 ], [ 0, 0, 0 ], [ 0, -0.01179096, 0.00156731 ], [ 0, -0.00698467, 0.01228609 ], [ 0, 0, 0 ], [ 0, 0.00732128, -0.01074304 ], [ 0, 0.01179096, -0.00156731 ], [ 0, -0.00732128, 0.01074304 ], [ 0, 0.01875235, -0.00905003 ], [ 0, 0.00698467, -0.01228609 ], [ 0.00521451, 0.00864956, 0.0035914 ], [ -0.00521451, 0.00864956, 0.0035914 ], [ 0, -0.00562257, -0.00720309 ], [ 0, 0, 0 ], [ 0.00763446, -0.00245979, -0.00130348 ], [ -0.00417641, -0.00116603, 0.00234111 ], [ -0.00763446, -0.00245979, -0.00130348 ], [ 0.00417641, -0.00116603, 0.00234111 ], [ 0, 0.00927269, -0.01219498 ], [ 0, -0.00515581, -0.00348072 ], [ -0.01000013, 0.00459927, 0.00263151 ], [ 0.00775558, 0.00224009, 0.0060211 ], [ 0.01000013, 0.00459927, 0.00263151 ], [ -0.00775558, 0.00224009, 0.0060211 ], [ 0, -0.01506156, -0.00042787 ], [ 0, 0, 0 ], [ 0.01000013, -0.00459927, -0.00263151 ], [ -0.00775558, -0.00224009, -0.0060211 ], [ 0.00775558, -0.00224009, -0.0060211 ], [ -0.01000013, -0.00459927, -0.00263151 ], [ 0, 0.00515581, 0.00348072 ], [ 0, 0.01506156, 0.00042787 ], [ 0.00417641, 0.00116603, -0.00234111 ], [ -0.00417641, 0.00116603, -0.00234111 ], [ -0.00763446, 0.00245979, 0.00130348 ], [ 0.00763446, 0.00245979, 0.00130348 ], [ 0, 0.00562257, 0.00720309 ], [ 0, -0.00927269, 0.01219498 ], [ -0.00521451, -0.00864956, -0.0035914 ], [ 0.00521451, -0.00864956, -0.0035914 ] ]
pbe
true
10
agm005266323-pbe-12
12
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49546513, 0, 0 ], [ 0, 6.73382317, 0.00202712 ], [ 0, 2.23880378, 15.87061032 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.747732565, 2.239913756841076, 11.103615040103884 ], [ 2.747732565, 6.732713193158924, 4.7690223998961185 ], [ 2.747732565, 3.3831976676890974, 14.279099432159244 ], [ 0, 3.366911585, 0.00101356 ], [ 2.747732565, 5.599068132077661, 11.093769958842651 ], [ 0, 7.825239346008901, 12.689081791248524 ], [ 2.747732565, 1.11940189, 7.93530516 ], [ 0, 3.3698122339965315, 9.500447287856874 ], [ 2.747732565, 3.3735588179223384, 4.778867481157348 ], [ 0, 5.6028147160034685, 6.372190152143126 ], [ 2.747732565, 5.589429282310903, 1.5935380078407577 ], [ 0, 1.1473876039910986, 3.1835556487514753 ], [ 4.136928007842925, 4.458738403485377, 15.086631968570929 ], [ 1.3585371221570757, 4.458738403485377, 15.086631968570929 ], [ 0, 6.749889888507962, 14.302879460727551 ], [ 2.747732565, 0, 0 ], [ 4.105507576052847, 6.7500223154851025, 11.894409713912744 ], [ 4.121932697006648, 2.2365646003202344, 13.491290393151804 ], [ 1.389957553947153, 6.7500223154851025, 11.894409713912744 ], [ 1.3735324329933527, 2.2365646003202344, 13.491290393151804 ], [ 2.747732565, 4.458139385236731, 12.68078720643788 ], [ 0, 2.237672721305227, 11.11317996961388 ], [ 4.107507375813654, 4.457821567888436, 10.325218487346442 ], [ 4.1073778477005405, 2.23867848189503, 8.75626111738214 ], [ 1.3879577541863461, 4.457821567888436, 10.325218487346442 ], [ 1.38808728229946, 2.23867848189503, 8.75626111738214 ], [ 2.747732565, 6.749513565025738, 9.539043596430979 ], [ 0, 4.486313475, 7.93631872 ], [ 1.3879577541863461, 4.514805382111564, 5.547418952653561 ], [ 1.38808728229946, 6.733948468104971, 7.116376322617861 ], [ 4.1073778477005405, 6.733948468104971, 7.116376322617861 ], [ 4.107507375813654, 4.514805382111564, 5.547418952653561 ], [ 0, 6.7349542286947734, 4.759457470386122 ], [ 2.747732565, 2.223113384974263, 6.333593843569022 ], [ 1.3735324329933527, 6.736062349679766, 2.3813470468481963 ], [ 4.121932697006648, 6.736062349679766, 2.3813470468481963 ], [ 1.389957553947153, 2.2226046345148975, 3.9782277260872565 ], [ 4.105507576052847, 2.2226046345148975, 3.9782277260872565 ], [ 0, 2.222737061492038, 1.569757979272449 ], [ 2.747732565, 4.51448756476327, 3.191850233562121 ], [ 1.3585371221570757, 4.513888546514623, 0.7860054714290728 ], [ 4.136928007842925, 4.513888546514623, 0.7860054714290728 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.10589766, 0, 0 ], [ 0, 0.09038065, 0.13238427 ], [ 0, 0.13238425, -0.10056577 ] ]
-311.461089
-376.451089
[ [ 0, 0, 0 ], [ 0, -0.00221502, -0.00400771 ], [ 0, 0.00221502, 0.00400771 ], [ 0, -0.01295093, 0.00455538 ], [ 0, 0, 0 ], [ 0, -0.00769159, 0.00311353 ], [ 0, -0.00772551, 0.0062508 ], [ 0, 0, 0 ], [ 0, 0.00693519, -0.00512592 ], [ 0, 0.00769159, -0.00311353 ], [ 0, -0.00693519, 0.00512592 ], [ 0, 0.01295093, -0.00455538 ], [ 0, 0.00772551, -0.0062508 ], [ 0.00273527, 0.0063289, 0.00253657 ], [ -0.00273527, 0.0063289, 0.00253657 ], [ 0, -0.0063051, -0.00531589 ], [ 0, 0, 0 ], [ 0.00803022, -0.0012325, -0.00088193 ], [ -0.00515789, 0.00015029, 0.00348983 ], [ -0.00803022, -0.0012325, -0.00088193 ], [ 0.00515789, 0.00015029, 0.00348983 ], [ 0, 0.00515448, -0.00567342 ], [ 0, -0.00400393, -0.005044 ], [ -0.00686302, 0.00203622, -0.00001859 ], [ 0.00638418, 0.00248064, 0.00555055 ], [ 0.00686302, 0.00203622, -0.00001859 ], [ -0.00638418, 0.00248064, 0.00555055 ], [ 0, -0.01135212, -0.00272357 ], [ 0, 0, 0 ], [ 0.00686302, -0.00203622, 0.00001859 ], [ -0.00638418, -0.00248064, -0.00555055 ], [ 0.00638418, -0.00248064, -0.00555055 ], [ -0.00686302, -0.00203622, 0.00001859 ], [ 0, 0.00400393, 0.005044 ], [ 0, 0.01135212, 0.00272357 ], [ 0.00515789, -0.00015029, -0.00348983 ], [ -0.00515789, -0.00015029, -0.00348983 ], [ -0.00803022, 0.0012325, 0.00088193 ], [ 0.00803022, 0.0012325, 0.00088193 ], [ 0, 0.0063051, 0.00531589 ], [ 0, -0.00515448, 0.00567342 ], [ -0.00273527, -0.0063289, -0.00253657 ], [ 0.00273527, -0.0063289, -0.00253657 ] ]
pbe
true
10
agm005266323-pbe-13
13
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49570709, 0, 0 ], [ 0, 6.73335083, 0.00215608 ], [ 0, 2.23895102, 15.86950945 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.747853545, 2.239701260157376, 11.101700351557676 ], [ 2.747853545, 6.732600589842624, 4.769965178442324 ], [ 2.747853545, 3.3826339891758237, 14.278209594637921 ], [ 0, 3.366675415, 0.00107804 ], [ 2.747853545, 5.598139229033327, 11.092929485471416 ], [ 0, 7.824417245879903, 12.688388248154943 ], [ 2.747853545, 1.11947551, 7.934754725 ], [ 0, 3.369450632088792, 9.499724112875402 ], [ 2.747853545, 3.3741626209666737, 4.778736044528586 ], [ 0, 5.602851217911208, 6.3719414171246 ], [ 2.747853545, 5.589667860824176, 1.5934559353620783 ], [ 0, 1.1478846041200974, 3.1832772818450574 ], [ 4.137255734051802, 4.458625419365478, 15.085630292205009 ], [ 1.358451355948198, 4.458625419365478, 15.085630292205009 ], [ 0, 6.749237398314062, 14.301578504430436 ], [ 2.747853545, 0, 0 ], [ 4.1057061436607425, 6.749352468727167, 11.893246642896889 ], [ 4.122067138453027, 2.236057793739324, 13.490429792061184 ], [ 1.3900009463392573, 6.749352468727167, 11.893246642896889 ], [ 1.3736399515469728, 2.236057793739324, 13.490429792061184 ], [ 2.747853545, 4.457825118273305, 12.679485491921827 ], [ 0, 2.2376124075785038, 11.11280371156439 ], [ 4.10761238462198, 4.457267984880156, 10.3248186563664 ], [ 4.107753239594697, 2.237979266899577, 8.756331144603381 ], [ 1.3880947053780202, 4.457267984880156, 10.3248186563664 ], [ 1.3879538504053035, 2.237979266899577, 8.756331144603381 ], [ 2.747853545, 6.747602257241816, 9.537595401483022 ], [ 0, 4.4861509250000005, 7.935832765000001 ], [ 1.3880947053780202, 4.515033865119844, 5.546846873633599 ], [ 1.3879538504053035, 6.734322583100423, 7.11533438539662 ], [ 4.107753239594697, 6.734322583100423, 7.11533438539662 ], [ 4.10761238462198, 4.515033865119844, 5.546846873633599 ], [ 0, 6.734689442421497, 4.758861818435613 ], [ 2.747853545, 2.224699592758184, 6.334070128516978 ], [ 1.3736399515469728, 6.736244056260676, 2.381235737938817 ], [ 4.122067138453027, 6.736244056260676, 2.381235737938817 ], [ 1.3900009463392573, 2.2229493812728323, 3.97841888710311 ], [ 4.1057061436607425, 2.2229493812728323, 3.97841888710311 ], [ 0, 2.2230644516859397, 1.5700870255695656 ], [ 2.747853545, 4.514476731726695, 3.1921800380781713 ], [ 1.358451355948198, 4.513676430634522, 0.7860352377949921 ], [ 4.137255734051802, 4.513676430634522, 0.7860352377949921 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.10592545, 0, 0 ], [ 0, 0.34589921, -0.0212823 ], [ 0, -0.02128223, 0.25587667 ] ]
-311.461139
-376.451139
[ [ 0, 0, 0 ], [ 0, -0.00312871, -0.00136178 ], [ 0, 0.00312871, 0.00136178 ], [ 0, 0.00187613, -0.00509877 ], [ 0, 0, 0 ], [ 0, 0.00342697, 0.00752293 ], [ 0, -0.00865342, -0.00697278 ], [ 0, 0, 0 ], [ 0, 0.00645742, 0.00802004 ], [ 0, -0.00342697, -0.00752293 ], [ 0, -0.00645742, -0.00802004 ], [ 0, -0.00187613, 0.00509877 ], [ 0, 0.00865342, 0.00697278 ], [ -0.00292094, 0.00145743, 0.00059112 ], [ 0.00292094, 0.00145743, 0.00059112 ], [ 0, -0.00769485, -0.00071301 ], [ 0, 0, 0 ], [ 0.00928213, 0.00169355, 0.00089306 ], [ -0.00765879, 0.00343619, 0.00651148 ], [ -0.00928213, 0.00169355, 0.00089306 ], [ 0.00765879, 0.00343619, 0.00651148 ], [ 0, -0.00379119, 0.00917406 ], [ 0, -0.0013489, -0.0090751 ], [ -0.00010059, -0.00329382, -0.0061897 ], [ 0.00341026, 0.00378356, 0.00386747 ], [ 0.00010059, -0.00329382, -0.0061897 ], [ -0.00341026, 0.00378356, 0.00386747 ], [ 0, -0.00244767, -0.00746015 ], [ 0, 0, 0 ], [ 0.00010059, 0.00329382, 0.0061897 ], [ -0.00341026, -0.00378356, -0.00386747 ], [ 0.00341026, -0.00378356, -0.00386747 ], [ -0.00010059, 0.00329382, 0.0061897 ], [ 0, 0.0013489, 0.0090751 ], [ 0, 0.00244767, 0.00746015 ], [ 0.00765879, -0.00343619, -0.00651148 ], [ -0.00765879, -0.00343619, -0.00651148 ], [ -0.00928213, -0.00169355, -0.00089306 ], [ 0.00928213, -0.00169355, -0.00089306 ], [ 0, 0.00769485, 0.00071301 ], [ 0, 0.00379119, -0.00917406 ], [ 0.00292094, -0.00145743, -0.00059112 ], [ -0.00292094, -0.00145743, -0.00059112 ] ]
pbe
true
10
agm005266323-pbe-14
14
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49569738, 0, 0 ], [ 0, 6.73357415, 0.0021796 ], [ 0, 2.23908063, 15.86978744 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74784869, 2.2396515362653586, 11.101439137495678 ], [ 2.74784869, 6.7330032437346405, 4.7705279025043215 ], [ 2.74784869, 3.3826103375271215, 14.278389519107636 ], [ 0, 3.366787075, 0.0010898 ], [ 2.74784869, 5.598153779416661, 11.093233808739901 ], [ 0, 7.824354824779961, 12.688517817864588 ], [ 2.74784869, 1.119540315, 7.93489372 ], [ 0, 3.3696109617119956, 9.50002043035383 ], [ 2.74784869, 3.374501000583339, 4.778733231260097 ], [ 0, 5.603043818288004, 6.371946609646167 ], [ 2.74784869, 5.590044442472879, 1.5935775208923648 ], [ 0, 1.1482999552200377, 3.1834492221354136 ], [ 4.13724386278049, 4.458821934000147, 15.085914578378596 ], [ 1.3584535172195096, 4.458821934000147, 15.085914578378596 ], [ 0, 6.749187743318268, 14.301682450272668 ], [ 2.74784869, 0, 0 ], [ 4.105892118281014, 6.749493903854705, 11.893328535589443 ], [ 4.1218883896880065, 2.2360215694973604, 13.49082368568333 ], [ 1.389805261718986, 6.749493903854705, 11.893328535589443 ], [ 1.3738089903119939, 2.2360215694973604, 13.49082368568333 ], [ 2.74784869, 4.457849970338338, 12.679725266197481 ], [ 0, 2.237654916933584, 11.112960382848545 ], [ 4.107574845861796, 4.457222287156968, 10.324981821032583 ], [ 4.1078868915590325, 2.2378958311407215, 8.756810585126177 ], [ 1.388122534138204, 4.457222287156968, 10.324981821032583 ], [ 1.3878104884409672, 2.2378958311407215, 8.756810585126177 ], [ 2.74784869, 6.747206902625476, 9.537300111385154 ], [ 0, 4.48632739, 7.93598352 ], [ 1.388122534138204, 4.515432492843033, 5.546985218967417 ], [ 1.3878104884409672, 6.734758948859279, 7.115156454873824 ], [ 4.1078868915590325, 6.734758948859279, 7.115156454873824 ], [ 4.107574845861796, 4.515432492843033, 5.546985218967417 ], [ 0, 6.734999863066416, 4.759006657151455 ], [ 2.74784869, 2.225447877374525, 6.334666928614846 ], [ 1.3738089903119939, 6.73663321050264, 2.3811433543166696 ], [ 4.1218883896880065, 6.73663321050264, 2.3811433543166696 ], [ 1.389805261718986, 2.2231608761452955, 3.978638504410556 ], [ 4.105892118281014, 2.2231608761452955, 3.978638504410556 ], [ 0, 2.2234670366817326, 1.570284589727333 ], [ 2.74784869, 4.514804809661662, 3.1922417738025177 ], [ 1.3584535172195096, 4.513832845999853, 0.7860524616214047 ], [ 4.13724386278049, 4.513832845999853, 0.7860524616214047 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.17788483, 0, 0 ], [ 0, 0.22494223, -0.00927785 ], [ 0, -0.00927779, 0.13576127 ] ]
-311.461181
-376.451181
[ [ 0, 0, 0 ], [ 0, -0.00304992, -0.0013549 ], [ 0, 0.00304992, 0.0013549 ], [ 0, 0.00139666, -0.00104642 ], [ 0, 0, 0 ], [ 0, 0.00336936, 0.00197254 ], [ 0, 0.000855, -0.00353862 ], [ 0, 0, 0 ], [ 0, 0.00529275, 0.00458981 ], [ 0, -0.00336936, -0.00197254 ], [ 0, -0.00529275, -0.00458981 ], [ 0, -0.00139666, 0.00104642 ], [ 0, -0.000855, 0.00353862 ], [ -0.00281915, 0.00088428, 0.00060869 ], [ 0.00281915, 0.00088428, 0.00060869 ], [ 0, -0.00543896, -0.00231447 ], [ 0, 0, 0 ], [ 0.00395518, -0.00078374, -0.00125773 ], [ -0.00226567, 0.00024079, 0.0031944 ], [ -0.00395518, -0.00078374, -0.00125773 ], [ 0.00226567, 0.00024079, 0.0031944 ], [ 0, -0.00062991, 0.00607734 ], [ 0, -0.00301517, -0.00411875 ], [ -0.00162978, -0.00095037, -0.00394373 ], [ -0.00112379, 0.00115894, 0.00169722 ], [ 0.00162978, -0.00095037, -0.00394373 ], [ 0.00112379, 0.00115894, 0.00169722 ], [ 0, -0.00200124, -0.00312633 ], [ 0, 0, 0 ], [ 0.00162978, 0.00095037, 0.00394373 ], [ 0.00112379, -0.00115894, -0.00169722 ], [ -0.00112379, -0.00115894, -0.00169722 ], [ -0.00162978, 0.00095037, 0.00394373 ], [ 0, 0.00301517, 0.00411875 ], [ 0, 0.00200124, 0.00312633 ], [ 0.00226567, -0.00024079, -0.0031944 ], [ -0.00226567, -0.00024079, -0.0031944 ], [ -0.00395518, 0.00078374, 0.00125773 ], [ 0.00395518, 0.00078374, 0.00125773 ], [ 0, 0.00543896, 0.00231447 ], [ 0, 0.00062991, -0.00607734 ], [ 0.00281915, -0.00088428, -0.00060869 ], [ -0.00281915, -0.00088428, -0.00060869 ] ]
pbe
true
10
agm005266323-pbe-15
15
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.4956901, 0, 0 ], [ 0, 6.73374175, 0.00219726 ], [ 0, 2.23917789, 15.86999608 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74784505, 2.2396142090751554, 11.101242924389808 ], [ 2.74784505, 6.733305430924845, 4.770950415610191 ], [ 2.74784505, 3.3825925476651317, 14.278524755358655 ], [ 0, 3.366870875, 0.00109863 ], [ 2.74784505, 5.598164729906749, 11.093462365794421 ], [ 0, 7.824307998363565, 12.688615126720848 ], [ 2.74784505, 1.119588945, 7.93499804 ], [ 0, 3.3697312859370845, 9.50024284494719 ], [ 2.74784505, 3.374754910093251, 4.778730974205579 ], [ 0, 5.603188354062915, 6.371950495052809 ], [ 2.74784505, 5.590327092334869, 1.5936685846413454 ], [ 0, 1.1486116416364345, 3.1835782132791532 ], [ 4.1372349749588455, 4.458969334896704, 15.086127900688842 ], [ 1.358455125041154, 4.458969334896704, 15.086127900688842 ], [ 0, 6.749150465936012, 14.301760591118692 ], [ 2.74784505, 0, 0 ], [ 4.106031710579769, 6.749600062668479, 11.893390076898768 ], [ 4.121754220473057, 2.235994445159194, 13.491119473090016 ], [ 1.389658389420231, 6.749600062668479, 11.893390076898768 ], [ 1.373935879526943, 2.235994445159194, 13.491119473090016 ], [ 2.74784505, 4.457868519386036, 12.67990510302048 ], [ 0, 2.2376867985365556, 11.113077911002012 ], [ 4.107546707469636, 4.457187980309026, 10.325104258011361 ], [ 4.107987241988052, 2.237833225488997, 8.757170613266233 ], [ 1.3881433925303641, 4.457187980309026, 10.325104258011361 ], [ 1.3877028580119481, 2.237833225488997, 8.757170613266233 ], [ 2.74784505, 6.746910150474227, 9.537078456921597 ], [ 0, 4.48645982, 7.93609667 ], [ 1.3881433925303641, 4.5157316596909745, 5.5470890819886405 ], [ 1.3877028580119481, 6.735086414511004, 7.115022726733767 ], [ 4.107987241988052, 6.735086414511004, 7.115022726733767 ], [ 4.107546707469636, 4.5157316596909745, 5.5470890819886405 ], [ 0, 6.735232841463445, 4.759115428997987 ], [ 2.74784505, 2.226009489525773, 6.335114883078404 ], [ 1.373935879526943, 6.736925194840806, 2.381073866909985 ], [ 4.121754220473057, 6.736925194840806, 2.381073866909985 ], [ 1.389658389420231, 2.223319577331521, 3.9788032631012324 ], [ 4.106031710579769, 2.223319577331521, 3.9788032631012324 ], [ 0, 2.223769174063989, 1.5704327488813081 ], [ 2.74784505, 4.515051120613964, 3.1922882369795187 ], [ 1.358455125041154, 4.513950305103297, 0.7860654393111566 ], [ 4.1372349749588455, 4.513950305103297, 0.7860654393111566 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.22980224, 0, 0 ], [ 0, 0.13435635, 0.00003794 ], [ 0, 0.00003803, 0.04517705 ] ]
-311.461192
-376.451192
[ [ 0, 0, 0 ], [ 0, -0.00296283, -0.00116419 ], [ 0, 0.00296283, 0.00116419 ], [ 0, 0.00133103, 0.00171737 ], [ 0, 0, 0 ], [ 0, 0.00389188, -0.00282755 ], [ 0, 0.00863542, -0.0012469 ], [ 0, 0, 0 ], [ 0, 0.00430846, 0.00140927 ], [ 0, -0.00389188, 0.00282755 ], [ 0, -0.00430846, -0.00140927 ], [ 0, -0.00133103, -0.00171737 ], [ 0, -0.00863542, 0.0012469 ], [ -0.00277217, 0.00043882, 0.00056078 ], [ 0.00277217, 0.00043882, 0.00056078 ], [ 0, -0.00377387, -0.00351583 ], [ 0, 0, 0 ], [ 0.000091, -0.00247054, -0.00296722 ], [ 0.00157474, -0.00194925, 0.00062041 ], [ -0.000091, -0.00247054, -0.00296722 ], [ -0.00157474, -0.00194925, 0.00062041 ], [ 0, 0.00152425, 0.00381458 ], [ 0, -0.00421228, -0.00081447 ], [ -0.00269482, 0.00073873, -0.00263172 ], [ -0.0044528, -0.0006684, -0.00009939 ], [ 0.00269482, 0.00073873, -0.00263172 ], [ 0.0044528, -0.0006684, -0.00009939 ], [ 0, -0.00149945, -0.00020333 ], [ 0, 0, 0 ], [ 0.00269482, -0.00073873, 0.00263172 ], [ 0.0044528, 0.0006684, 0.00009939 ], [ -0.0044528, 0.0006684, 0.00009939 ], [ -0.00269482, -0.00073873, 0.00263172 ], [ 0, 0.00421228, 0.00081447 ], [ 0, 0.00149945, 0.00020333 ], [ -0.00157474, 0.00194925, -0.00062041 ], [ 0.00157474, 0.00194925, -0.00062041 ], [ -0.000091, 0.00247054, 0.00296722 ], [ 0.000091, 0.00247054, 0.00296722 ], [ 0, 0.00377387, 0.00351583 ], [ 0, -0.00152425, -0.00381458 ], [ 0.00277217, -0.00043882, -0.00056078 ], [ -0.00277217, -0.00043882, -0.00056078 ] ]
pbe
true
10
agm005266323-pbe-16
16
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49543908, 0, 0 ], [ 0, 6.73396885, 0.00220247 ], [ 0, 2.23926562, 15.87019813 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74771954, 2.2395942424047663, 11.101257789067184 ], [ 2.74771954, 6.733640227595234, 4.771142810932816 ], [ 2.74771954, 3.3827078429140576, 14.27873092112495 ], [ 0, 3.366984425, 0.001101235 ], [ 2.74771954, 5.598406234865384, 11.093562286682976 ], [ 0, 7.824701321921575, 12.688727558145523 ], [ 2.74771954, 1.11963281, 7.935099065 ], [ 0, 3.3699552295976014, 9.500424745197632 ], [ 2.74771954, 3.3748282351346157, 4.778838313317026 ], [ 0, 5.603279240402399, 6.3719758548023675 ], [ 2.74771954, 5.590526627085942, 1.5936696788750502 ], [ 0, 1.1485331480784255, 3.183673041854478 ], [ 4.136980882519999, 4.459140590229853, 15.086337319382345 ], [ 1.358458197480001, 4.459140590229853, 15.086337319382345 ], [ 0, 6.749231173111687, 14.301829306551227 ], [ 2.74771954, 0, 0 ], [ 4.10588845756683, 6.74975264038733, 11.893445396286454 ], [ 4.12156491194961, 2.2360007598013665, 13.491340026684822 ], [ 1.3895506224331697, 6.74975264038733, 11.893445396286454 ], [ 1.3738741680503896, 2.2360007598013665, 13.491340026684822 ], [ 2.74771954, 4.458027333108404, 12.68015873018786 ], [ 0, 2.2376580329591187, 11.113192263584873 ], [ 4.107290179212965, 4.457313160635423, 10.325171041926145 ], [ 4.107727451300561, 2.2378588479931905, 8.757350938635593 ], [ 1.3881489007870345, 4.457313160635423, 10.325171041926145 ], [ 1.3877116286994386, 2.2378588479931905, 8.757350938635593 ], [ 2.74771954, 6.746967853851574, 9.537094161074377 ], [ 0, 4.486617235, 7.9362003 ], [ 1.3881489007870345, 4.515921309364576, 5.547229558073855 ], [ 1.3877116286994386, 6.73537562200681, 7.115049661364407 ], [ 4.107727451300561, 6.73537562200681, 7.115049661364407 ], [ 4.107290179212965, 4.515921309364576, 5.547229558073855 ], [ 0, 6.735576437040881, 4.759208336415127 ], [ 2.74771954, 2.2262666161484264, 6.335306438925625 ], [ 1.3738741680503896, 6.737233710198634, 2.3810605733151777 ], [ 4.12156491194961, 6.737233710198634, 2.3810605733151777 ], [ 1.3895506224331697, 2.22348182961267, 3.978955203713548 ], [ 4.10588845756683, 2.22348182961267, 3.978955203713548 ], [ 0, 2.2240032968883137, 1.5705712934487746 ], [ 2.74771954, 4.515207136891595, 3.1922418698121393 ], [ 1.358458197480001, 4.514093879770146, 0.7860632806176555 ], [ 4.136980882519999, 4.514093879770146, 0.7860632806176555 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.12833145, 0, 0 ], [ 0, 0.08381407, 0.04388532 ], [ 0, 0.04388545, -0.01078161 ] ]
-311.461208
-376.451208
[ [ 0, 0, 0 ], [ 0, -0.00266692, -0.00056902 ], [ 0, 0.00266692, 0.00056902 ], [ 0, 0.00270609, 0.00118738 ], [ 0, 0, 0 ], [ 0, 0.00437621, -0.00024287 ], [ 0, 0.00431806, 0.00108217 ], [ 0, 0, 0 ], [ 0, 0.0014534, -0.00141824 ], [ 0, -0.00437621, 0.00024287 ], [ 0, -0.0014534, 0.00141824 ], [ 0, -0.00270609, -0.00118738 ], [ 0, -0.00431806, -0.00108217 ], [ -0.00138777, 0.00040717, 0.00130843 ], [ 0.00138777, 0.00040717, 0.00130843 ], [ 0, -0.00329255, -0.00284036 ], [ 0, 0, 0 ], [ 0.00039986, -0.00134057, -0.00199989 ], [ 0.00134467, -0.00150597, 0.00082558 ], [ -0.00039986, -0.00134057, -0.00199989 ], [ -0.00134467, -0.00150597, 0.00082558 ], [ 0, 0.00150128, 0.00258223 ], [ 0, -0.00237672, -0.00105198 ], [ -0.00135142, -0.00000235, -0.00187296 ], [ -0.00208861, 0.00073799, 0.00106693 ], [ 0.00135142, -0.00000235, -0.00187296 ], [ 0.00208861, 0.00073799, 0.00106693 ], [ 0, -0.00123878, 0.00021281 ], [ 0, 0, 0 ], [ 0.00135142, 0.00000235, 0.00187296 ], [ 0.00208861, -0.00073799, -0.00106693 ], [ -0.00208861, -0.00073799, -0.00106693 ], [ -0.00135142, 0.00000235, 0.00187296 ], [ 0, 0.00237672, 0.00105198 ], [ 0, 0.00123878, -0.00021281 ], [ -0.00134467, 0.00150597, -0.00082558 ], [ 0.00134467, 0.00150597, -0.00082558 ], [ -0.00039986, 0.00134057, 0.00199989 ], [ 0.00039986, 0.00134057, 0.00199989 ], [ 0, 0.00329255, 0.00284036 ], [ 0, -0.00150128, -0.00258223 ], [ 0.00138777, -0.00040717, -0.00130843 ], [ -0.00138777, -0.00040717, -0.00130843 ] ]
pbe
true
10
agm005266323-pbe-17
17
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49543908, 0, 0 ], [ 0, 6.73396885, 0.00220247 ], [ 0, 2.23926562, 15.87019813 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74771954, 2.2395942424047663, 11.101257789067184 ], [ 2.74771954, 6.733640227595234, 4.771142810932816 ], [ 2.74771954, 3.3827078429140576, 14.27873092112495 ], [ 0, 3.366984425, 0.001101235 ], [ 2.74771954, 5.598406234865384, 11.093562286682976 ], [ 0, 7.824701321921575, 12.688727558145523 ], [ 2.74771954, 1.11963281, 7.935099065 ], [ 0, 3.3699552295976014, 9.500424745197632 ], [ 2.74771954, 3.3748282351346157, 4.778838313317026 ], [ 0, 5.603279240402399, 6.3719758548023675 ], [ 2.74771954, 5.590526627085942, 1.5936696788750502 ], [ 0, 1.1485331480784255, 3.183673041854478 ], [ 4.136980882519999, 4.459140590229853, 15.086337319382345 ], [ 1.358458197480001, 4.459140590229853, 15.086337319382345 ], [ 0, 6.749231173111687, 14.301829306551227 ], [ 2.74771954, 0, 0 ], [ 4.10588845756683, 6.74975264038733, 11.893445396286454 ], [ 4.12156491194961, 2.2360007598013665, 13.491340026684822 ], [ 1.3895506224331697, 6.74975264038733, 11.893445396286454 ], [ 1.3738741680503896, 2.2360007598013665, 13.491340026684822 ], [ 2.74771954, 4.458027333108404, 12.68015873018786 ], [ 0, 2.2376580329591187, 11.113192263584873 ], [ 4.107290179212965, 4.457313160635423, 10.325171041926145 ], [ 4.107727451300561, 2.2378588479931905, 8.757350938635593 ], [ 1.3881489007870345, 4.457313160635423, 10.325171041926145 ], [ 1.3877116286994386, 2.2378588479931905, 8.757350938635593 ], [ 2.74771954, 6.746967853851574, 9.537094161074377 ], [ 0, 4.486617235, 7.9362003 ], [ 1.3881489007870345, 4.515921309364576, 5.547229558073855 ], [ 1.3877116286994386, 6.73537562200681, 7.115049661364407 ], [ 4.107727451300561, 6.73537562200681, 7.115049661364407 ], [ 4.107290179212965, 4.515921309364576, 5.547229558073855 ], [ 0, 6.735576437040881, 4.759208336415127 ], [ 2.74771954, 2.2262666161484264, 6.335306438925625 ], [ 1.3738741680503896, 6.737233710198634, 2.3810605733151777 ], [ 4.12156491194961, 6.737233710198634, 2.3810605733151777 ], [ 1.3895506224331697, 2.22348182961267, 3.978955203713548 ], [ 4.10588845756683, 2.22348182961267, 3.978955203713548 ], [ 0, 2.2240032968883137, 1.5705712934487746 ], [ 2.74771954, 4.515207136891595, 3.1922418698121393 ], [ 1.358458197480001, 4.514093879770146, 0.7860632806176555 ], [ 4.136980882519999, 4.514093879770146, 0.7860632806176555 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.21706093, 0, 0 ], [ 0, 0.03607964, 0.05455551 ], [ 0, 0.05455568, -0.05300685 ] ]
-311.458028
-376.448028
[ [ 0, 0, 0 ], [ 0, -0.00252475, -0.00065913 ], [ 0, 0.00252475, 0.00065913 ], [ 0, 0.00284557, 0.00120799 ], [ 0, 0, 0 ], [ 0, 0.00434988, -0.00085749 ], [ 0, 0.00390389, 0.00083586 ], [ 0, 0, 0 ], [ 0, 0.00132469, -0.00218171 ], [ 0, -0.00434988, 0.00085749 ], [ 0, -0.00132469, 0.00218171 ], [ 0, -0.00284557, -0.00120799 ], [ 0, -0.00390389, -0.00083586 ], [ -0.00142558, 0.00041482, 0.00136741 ], [ 0.00142558, 0.00041482, 0.00136741 ], [ 0, -0.00331981, -0.00258626 ], [ 0, 0, 0 ], [ 0.0005202, -0.00121613, -0.00203542 ], [ 0.0012672, -0.00140873, 0.00087447 ], [ -0.0005202, -0.00121613, -0.00203542 ], [ -0.0012672, -0.00140873, 0.00087447 ], [ 0, 0.00136281, 0.00276049 ], [ 0, -0.00233232, -0.00117358 ], [ -0.00111071, -0.00009278, -0.00217894 ], [ -0.00202931, 0.00086884, 0.00094088 ], [ 0.00111071, -0.00009278, -0.00217894 ], [ 0.00202931, 0.00086884, 0.00094088 ], [ 0, -0.00113263, 0.00004209 ], [ 0, 0, 0 ], [ 0.00111071, 0.00009278, 0.00217894 ], [ 0.00202931, -0.00086884, -0.00094088 ], [ -0.00202931, -0.00086884, -0.00094088 ], [ -0.00111071, 0.00009278, 0.00217894 ], [ 0, 0.00233232, 0.00117358 ], [ 0, 0.00113263, -0.00004209 ], [ -0.0012672, 0.00140873, -0.00087447 ], [ 0.0012672, 0.00140873, -0.00087447 ], [ -0.0005202, 0.00121613, 0.00203542 ], [ 0.0005202, 0.00121613, 0.00203542 ], [ 0, 0.00331981, 0.00258626 ], [ 0, -0.00136281, -0.00276049 ], [ 0.00142558, -0.00041482, -0.00136741 ], [ -0.00142558, -0.00041482, -0.00136741 ] ]
pbe
true
10
agm005266323-pbe-18
18
1
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49675042, 0, 0 ], [ 0, 6.73072499, -0.00008802 ], [ 0, 2.23279242, 15.86213211 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74837521, 2.2363480106303024, 11.101688391387606 ], [ 2.74837521, 6.727169399369696, 4.760355698612393 ], [ 2.74837521, 3.379786979886223, 14.270642355742195 ], [ 0, 3.365362495, -0.00004401 ], [ 2.74837521, 5.594929031539271, 11.085273133384257 ], [ 0, 7.817989735754388, 12.678903828993423 ], [ 2.74837521, 1.11639621, 7.931066055 ], [ 0, 3.3654111097850485, 9.49260963819335 ], [ 2.74837521, 3.368588378460728, 4.776770956615741 ], [ 0, 5.598106300214951, 6.36943445180665 ], [ 2.74837521, 5.583730430113777, 1.591401734257804 ], [ 0, 1.1455276742456113, 3.1831402610065753 ], [ 4.1357483649399915, 4.456995668011106, 15.077414117239348 ], [ 1.3610020550600082, 4.456995668011106, 15.077414117239348 ], [ 0, 6.739368755349767, 14.294085523588873 ], [ 2.74837521, 0, 0 ], [ 4.108397634200156, 6.7411014920328585, 11.889863738946579 ], [ 4.123156903785393, 2.2340058518404087, 13.48478670240595 ], [ 1.3883527857998441, 6.7411014920328585, 11.889863738946579 ], [ 1.3735935162146062, 2.2340058518404087, 13.48478670240595 ], [ 2.74837521, 4.4586508636477875, 12.677784587931653 ], [ 0, 2.233780390314688, 11.106317638121673 ], [ 4.110911902809768, 4.45928548055252, 10.317429466128251 ], [ 4.110099263227675, 2.2386568550579105, 8.745881246580272 ], [ 1.3858385171902319, 4.45928548055252, 10.317429466128251 ], [ 1.3866511567723248, 2.2386568550579105, 8.745881246580272 ], [ 2.74837521, 6.744922930678074, 9.53409194697825 ], [ 0, 4.481758705, 7.931022045 ], [ 1.3858385171902319, 4.50423192944748, 5.544614623871746 ], [ 1.3866511567723248, 6.724860554942088, 7.116162843419727 ], [ 4.110099263227675, 6.724860554942088, 7.116162843419727 ], [ 4.110911902809768, 4.50423192944748, 5.544614623871746 ], [ 0, 6.729737019685311, 4.755726451878326 ], [ 2.74837521, 2.2185944793219257, 6.327952143021748 ], [ 1.3735935162146062, 6.72951155815959, 2.3772573875940495 ], [ 4.123156903785393, 6.72951155815959, 2.3772573875940495 ], [ 1.3883527857998441, 2.222415917967141, 3.972180351053421 ], [ 4.108397634200156, 2.222415917967141, 3.972180351053421 ], [ 0, 2.2241486546502323, 1.5679585664111262 ], [ 2.74837521, 4.504866546352212, 3.184259502068347 ], [ 1.3610020550600082, 4.506521741988893, 0.7846299727606497 ], [ 4.1357483649399915, 4.506521741988893, 0.7846299727606497 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ 0.87518703, 0, 0 ], [ 0, 2.14378551, 0.63867369 ], [ 0, 0.63867393, 1.82716744 ] ]
-311.457319
-376.447319
[ [ 0, 0, 0 ], [ 0, 0.0019713, -0.00585937 ], [ 0, -0.0019713, 0.00585937 ], [ 0, -0.0139112, 0.04412384 ], [ 0, 0, 0 ], [ 0, -0.05017835, 0.0340448 ], [ 0, -0.00547079, 0.08030228 ], [ 0, 0, 0 ], [ 0, 0.07375671, 0.02361725 ], [ 0, 0.05017835, -0.0340448 ], [ 0, -0.07375671, -0.02361725 ], [ 0, 0.0139112, -0.04412384 ], [ 0, 0.00547079, -0.08030228 ], [ 0.01087712, -0.04374751, 0.00190774 ], [ -0.01087712, -0.04374751, 0.00190774 ], [ 0, 0.06837378, -0.0410704 ], [ 0, 0, 0 ], [ -0.0128265, 0.03218854, -0.01967774 ], [ 0.01004417, -0.01997011, -0.01684613 ], [ 0.0128265, 0.03218854, -0.01967774 ], [ -0.01004417, -0.01997011, -0.01684613 ], [ 0, -0.03046922, -0.05605763 ], [ 0, -0.01499074, -0.00116181 ], [ -0.0297948, -0.04635089, 0.00732489 ], [ -0.0413694, -0.03371096, 0.02110166 ], [ 0.0297948, -0.04635089, 0.00732489 ], [ 0.0413694, -0.03371096, 0.02110166 ], [ 0, 0.04459583, -0.01478163 ], [ 0, 0, 0 ], [ 0.0297948, 0.04635089, -0.00732489 ], [ 0.0413694, 0.03371096, -0.02110166 ], [ -0.0413694, 0.03371096, -0.02110166 ], [ -0.0297948, 0.04635089, -0.00732489 ], [ 0, 0.01499074, 0.00116181 ], [ 0, -0.04459583, 0.01478163 ], [ -0.01004417, 0.01997011, 0.01684613 ], [ 0.01004417, 0.01997011, 0.01684613 ], [ 0.0128265, -0.03218854, 0.01967774 ], [ -0.0128265, -0.03218854, 0.01967774 ], [ 0, -0.06837378, 0.0410704 ], [ 0, 0.03046922, 0.05605763 ], [ -0.01087712, 0.04374751, -0.00190774 ], [ 0.01087712, 0.04374751, -0.00190774 ] ]
pbe
true
10
agm005266323-pbe-2
2
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49585363, 0, 0 ], [ 0, 6.73415815, 0.00147902 ], [ 0, 2.23762441, 15.868806 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.747926815, 2.240087654215719, 11.106310228957643 ], [ 2.747926815, 6.7316949057842805, 4.763974791042357 ], [ 2.747926815, 3.3832296673078286, 14.278798756326125 ], [ 0, 3.367079075, 0.00073951 ], [ 2.747926815, 5.599138108263364, 11.09419670372948 ], [ 0, 7.8244915297510875, 12.690242739707697 ], [ 2.747926815, 1.118812205, 7.934403 ], [ 0, 3.3718399388330424, 9.49933369952644 ], [ 2.747926815, 3.372644451736636, 4.77608831627052 ], [ 0, 5.599942621166957, 6.370951320473558 ], [ 2.747926815, 5.588552892692171, 1.591486263673874 ], [ 0, 1.1472910302489119, 3.1800422802923025 ], [ 4.136025393160751, 4.460689993023383, 15.08465481200175 ], [ 1.359828236839249, 4.460689993023383, 15.08465481200175 ], [ 0, 6.749524206048111, 14.299635155715249 ], [ 2.747926815, 0, 0 ], [ 4.1065034261335525, 6.748685588942159, 11.894669397846998 ], [ 4.1228028639537975, 2.2374386795090127, 13.489823957187447 ], [ 1.3893502038664474, 6.748685588942159, 11.894669397846998 ], [ 1.3730507660462021, 2.2374386795090127, 13.489823957187447 ], [ 2.747926815, 4.462166471129633, 12.6806849819686 ], [ 0, 2.2375495980423468, 11.11001777926997 ], [ 4.109377812540579, 4.46083030332877, 10.322328163057062 ], [ 4.107730430414986, 2.240619808143615, 8.751274265204652 ], [ 1.3864758174594212, 4.46083030332877, 10.322328163057062 ], [ 1.3881231995850136, 2.240619808143615, 8.751274265204652 ], [ 2.747926815, 6.753106778869364, 9.53844654489698 ], [ 0, 4.48589128, 7.9351425099999995 ], [ 1.3864758174594212, 4.51095225667123, 5.547956856942937 ], [ 1.3881231995850136, 6.731162751856385, 7.119010754795345 ], [ 4.107730430414986, 6.731162751856385, 7.119010754795345 ], [ 4.109377812540579, 4.51095225667123, 5.547956856942937 ], [ 0, 6.7342329619576535, 4.760267240730028 ], [ 2.747926815, 2.2186757811306355, 6.33183847510302 ], [ 1.3730507660462021, 6.734343880490988, 2.380461062812552 ], [ 4.1228028639537975, 6.734343880490988, 2.380461062812552 ], [ 1.3893502038664474, 2.2230969710578403, 3.9756156221529992 ], [ 4.1065034261335525, 2.2230969710578403, 3.9756156221529992 ], [ 0, 2.222258353951889, 1.5706498642847504 ], [ 2.747926815, 4.509616088870367, 3.1896000380314 ], [ 1.359828236839249, 4.511092566976616, 0.7856302079982493 ], [ 4.136025393160751, 4.511092566976616, 0.7856302079982493 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.34709848, 0, 0 ], [ 0, 0.02794633, 0.26335992 ], [ 0, 0.26335995, -0.00892312 ] ]
-311.459655
-376.449655
[ [ 0, 0, 0 ], [ 0, -0.0065569, -0.01282327 ], [ 0, 0.0065569, 0.01282327 ], [ 0, -0.00356489, -0.01322909 ], [ 0, 0, 0 ], [ 0, 0.03710335, -0.02088113 ], [ 0, 0.01608152, -0.08129441 ], [ 0, 0, 0 ], [ 0, -0.07824705, -0.00143273 ], [ 0, -0.03710335, 0.02088113 ], [ 0, 0.07824705, 0.00143273 ], [ 0, 0.00356489, 0.01322909 ], [ 0, -0.01608152, 0.08129441 ], [ 0.01080647, -0.01800013, 0.00273815 ], [ -0.01080647, -0.01800013, 0.00273815 ], [ 0, -0.01114078, 0.03441898 ], [ 0, 0, 0 ], [ -0.00117794, 0.00995956, -0.00857579 ], [ -0.01853548, 0.00634251, 0.00725636 ], [ 0.00117794, 0.00995956, -0.00857579 ], [ 0.01853548, 0.00634251, 0.00725636 ], [ 0, -0.03174503, -0.01549688 ], [ 0, -0.00794646, 0.00761303 ], [ -0.03631825, -0.00294554, 0.01426056 ], [ 0.01706592, 0.01316684, 0.02902829 ], [ 0.03631825, -0.00294554, 0.01426056 ], [ -0.01706592, 0.01316684, 0.02902829 ], [ 0, -0.03211092, 0.04123124 ], [ 0, 0, 0 ], [ 0.03631825, 0.00294554, -0.01426056 ], [ -0.01706592, -0.01316684, -0.02902829 ], [ 0.01706592, -0.01316684, -0.02902829 ], [ -0.03631825, 0.00294554, -0.01426056 ], [ 0, 0.00794646, -0.00761303 ], [ 0, 0.03211092, -0.04123124 ], [ 0.01853548, -0.00634251, -0.00725636 ], [ -0.01853548, -0.00634251, -0.00725636 ], [ 0.00117794, -0.00995956, 0.00857579 ], [ -0.00117794, -0.00995956, 0.00857579 ], [ 0, 0.01114078, -0.03441898 ], [ 0, 0.03174503, 0.01549688 ], [ -0.01080647, 0.01800013, -0.00273815 ], [ 0.01080647, 0.01800013, -0.00273815 ] ]
pbe
true
10
agm005266323-pbe-3
3
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49600752, 0, 0 ], [ 0, 6.73356904, 0.00121012 ], [ 0, 2.23679526, 15.86766079 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74800376, 2.2394459476006667, 11.105517036673852 ], [ 2.74800376, 6.730918352399333, 4.763353873326149 ], [ 2.74800376, 3.382638882874429, 14.277399175870398 ], [ 0, 3.36678452, 0.00060506 ], [ 2.74800376, 5.598415912805288, 11.092665574163187 ], [ 0, 7.823375866884529, 12.688297115031938 ], [ 2.74800376, 1.11839763, 7.933830395 ], [ 0, 3.3707368116768888, 9.49817995407297 ], [ 2.74800376, 3.371948387194712, 4.776205335836815 ], [ 0, 5.599627488323111, 6.37069095592703 ], [ 2.74800376, 5.587725417125571, 1.591471734129601 ], [ 0, 1.1469884331154707, 3.180573794968061 ], [ 4.13597786511772, 4.460056032286584, 15.0834123351538 ], [ 1.3600296548822801, 4.460056032286584, 15.0834123351538 ], [ 0, 6.7477816084169415, 14.29868278718175 ], [ 2.74800376, 0, 0 ], [ 4.106828470193595, 6.7473842399496125, 11.893844779356074 ], [ 4.122863621733948, 2.2368496438924823, 13.48895957073771 ], [ 1.3891790498064047, 6.7473842399496125, 11.893844779356074 ], [ 1.3731438982660529, 2.2368496438924823, 13.48895957073771 ], [ 2.74800376, 4.461563186698012, 12.680187259110907 ], [ 0, 2.2369028157005935, 11.109382795916709 ], [ 4.1096410520419555, 4.460565181018367, 10.321487482478757 ], [ 4.108136904703882, 2.24028296018179, 8.750348848268246 ], [ 1.3863664679580447, 4.460565181018367, 10.321487482478757 ], [ 1.3878706152961184, 2.24028296018179, 8.750348848268246 ], [ 2.74800376, 6.751702490190791, 9.53769931741918 ], [ 0, 4.48518215, 7.934435455 ], [ 1.3863664679580447, 4.509799118981632, 5.547383427521245 ], [ 1.3878706152961184, 6.73008133981821, 7.1185220617317535 ], [ 4.108136904703882, 6.73008133981821, 7.1185220617317535 ], [ 4.1096410520419555, 4.509799118981632, 5.547383427521245 ], [ 0, 6.733461484299406, 4.759488114083291 ], [ 2.74800376, 2.218661809809209, 6.33117159258082 ], [ 1.3731438982660529, 6.733514656107518, 2.3799113392622893 ], [ 4.122863621733948, 6.733514656107518, 2.3799113392622893 ], [ 1.3891790498064047, 2.2229800600503866, 3.9750261306439243 ], [ 4.106828470193595, 2.2229800600503866, 3.9750261306439243 ], [ 0, 2.2225826915830584, 1.5701881228182504 ], [ 2.74800376, 4.508801113301988, 3.1886836508890952 ], [ 1.3600296548822801, 4.510308267713417, 0.7854585748461981 ], [ 4.13597786511772, 4.510308267713417, 0.7854585748461981 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.13846881, 0, 0 ], [ 0, 0.38707732, 0.33266216 ], [ 0, 0.33266251, 0.29823489 ] ]
-311.459757
-376.449757
[ [ 0, 0, 0 ], [ 0, -0.0050906, -0.01125009 ], [ 0, 0.0050906, 0.01125009 ], [ 0, -0.00530003, -0.00371202 ], [ 0, 0, 0 ], [ 0, 0.02205213, -0.01142791 ], [ 0, 0.01252236, -0.05364306 ], [ 0, 0, 0 ], [ 0, -0.0523868, 0.00318065 ], [ 0, -0.02205213, 0.01142791 ], [ 0, 0.0523868, -0.00318065 ], [ 0, 0.00530003, 0.00371202 ], [ 0, -0.01252236, 0.05364306 ], [ 0.01099476, -0.02244998, 0.00290775 ], [ -0.01099476, -0.02244998, 0.00290775 ], [ 0, 0.00236951, 0.02226034 ], [ 0, 0, 0 ], [ -0.00303156, 0.01407929, -0.0098059 ], [ -0.01379665, 0.0019415, 0.00376155 ], [ 0.00303156, 0.01407929, -0.0098059 ], [ 0.01379665, 0.0019415, 0.00376155 ], [ 0, -0.03214576, -0.02129376 ], [ 0, -0.00940279, 0.00699592 ], [ -0.03536122, -0.01050229, 0.01356559 ], [ 0.00694214, 0.00510003, 0.02794586 ], [ 0.03536122, -0.01050229, 0.01356559 ], [ -0.00694214, 0.00510003, 0.02794586 ], [ 0, -0.01880342, 0.03189165 ], [ 0, 0, 0 ], [ 0.03536122, 0.01050229, -0.01356559 ], [ -0.00694214, -0.00510003, -0.02794586 ], [ 0.00694214, -0.00510003, -0.02794586 ], [ -0.03536122, 0.01050229, -0.01356559 ], [ 0, 0.00940279, -0.00699592 ], [ 0, 0.01880342, -0.03189165 ], [ 0.01379665, -0.0019415, -0.00376155 ], [ -0.01379665, -0.0019415, -0.00376155 ], [ 0.00303156, -0.01407929, 0.0098059 ], [ -0.00303156, -0.01407929, 0.0098059 ], [ 0, -0.00236951, -0.02226034 ], [ 0, 0.03214576, 0.02129376 ], [ -0.01099476, 0.02244998, -0.00290775 ], [ 0.01099476, 0.02244998, -0.00290775 ] ]
pbe
true
10
agm005266323-pbe-4
4
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49550205, 0, 0 ], [ 0, 6.73539454, 0.00242089 ], [ 0, 2.24025417, 15.87135628 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.747751025, 2.241838411315994, 11.107696995287432 ], [ 2.747751025, 6.733810298684005, 4.7660801747125685 ], [ 2.747751025, 3.3854840794521746, 14.281288253317921 ], [ 0, 3.36769727, 0.001210445 ], [ 2.747751025, 5.602540184545001, 11.096351637424256 ], [ 0, 7.828191820772322, 12.69126560981943 ], [ 2.747751025, 1.120127085, 7.93567814 ], [ 0, 3.3717965554983147, 9.501475193790478 ], [ 2.747751025, 3.373108525454998, 4.777425532575744 ], [ 0, 5.603852154501685, 6.372301976209523 ], [ 2.747751025, 5.590164630547826, 1.5924889166820804 ], [ 0, 1.1474568892276784, 3.18251156018057 ], [ 4.13630716672135, 4.462489468256491, 15.087558612918906 ], [ 1.3591948832786505, 4.462489468256491, 15.087558612918906 ], [ 0, 6.7531584027497615, 14.30339719042435 ], [ 2.747751025, 0, 0 ], [ 4.106006232383121, 6.75230136453521, 11.896756681532256 ], [ 4.1219853937838655, 2.2397438851023295, 13.492135129412926 ], [ 1.3894958176168788, 6.75230136453521, 11.896756681532256 ], [ 1.373516656216135, 2.2397438851023295, 13.492135129412926 ], [ 2.747751025, 4.463254136239145, 12.681932339010396 ], [ 0, 2.23912128146923, 11.112093430965038 ], [ 4.107549204493699, 4.46237689260186, 10.324966806409645 ], [ 4.107612182947192, 2.242364139224093, 8.754128740999516 ], [ 1.3879528455063004, 4.46237689260186, 10.324966806409645 ], [ 1.3878898670528073, 2.242364139224093, 8.754128740999516 ], [ 2.747751025, 6.755107658272671, 9.542000383963131 ], [ 0, 4.487824355, 7.936888585 ], [ 1.3879528455063004, 4.51327181739814, 5.548810363590356 ], [ 1.3878898670528073, 6.733284570775907, 7.119648429000485 ], [ 4.107612182947192, 6.733284570775907, 7.119648429000485 ], [ 4.107549204493699, 4.51327181739814, 5.548810363590356 ], [ 0, 6.736527428530769, 4.761683739034963 ], [ 2.747751025, 2.22054105172733, 6.33177678603687 ], [ 1.373516656216135, 6.735904824897671, 2.381642040587075 ], [ 4.1219853937838655, 6.735904824897671, 2.381642040587075 ], [ 1.3894958176168788, 2.2233473454647887, 3.977020488467743 ], [ 4.106006232383121, 2.2233473454647887, 3.977020488467743 ], [ 0, 2.2224903072502387, 1.5703799795756508 ], [ 2.747751025, 4.5123945737608535, 3.191844830989603 ], [ 1.3591948832786505, 4.513159241743509, 0.7862185570810953 ], [ 4.13630716672135, 4.513159241743509, 0.7862185570810953 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.63464173, 0, 0 ], [ 0, -0.7229261, -0.04708129 ], [ 0, -0.04708114, -0.60794915 ] ]
-311.460494
-376.450494
[ [ 0, 0, 0 ], [ 0, -0.00004674, -0.00919792 ], [ 0, 0.00004674, 0.00919792 ], [ 0, 0.01167447, -0.03095322 ], [ 0, 0, 0 ], [ 0, -0.02975202, -0.0226562 ], [ 0, 0.00308516, -0.0036048 ], [ 0, 0, 0 ], [ 0, 0.03690062, -0.02100559 ], [ 0, 0.02975202, 0.0226562 ], [ 0, -0.03690062, 0.02100559 ], [ 0, -0.01167447, 0.03095322 ], [ 0, -0.00308516, 0.0036048 ], [ 0.00503143, -0.00860513, 0.00175452 ], [ -0.00503143, -0.00860513, 0.00175452 ], [ 0, -0.00572612, 0.00999791 ], [ 0, 0, 0 ], [ 0.01072314, 0.01591258, 0.00121911 ], [ 0.0005097, -0.00668025, -0.00296185 ], [ -0.01072314, 0.01591258, 0.00121911 ], [ -0.0005097, -0.00668025, -0.00296185 ], [ 0, -0.02543454, 0.01463849 ], [ 0, -0.0092132, 0.01204779 ], [ -0.00116114, -0.01374377, 0.00458485 ], [ -0.0063434, -0.01430833, 0.00916168 ], [ 0.00116114, -0.01374377, 0.00458485 ], [ 0.0063434, -0.01430833, 0.00916168 ], [ 0, 0.00070208, -0.01006982 ], [ 0, 0, 0 ], [ 0.00116114, 0.01374377, -0.00458485 ], [ 0.0063434, 0.01430833, -0.00916168 ], [ -0.0063434, 0.01430833, -0.00916168 ], [ -0.00116114, 0.01374377, -0.00458485 ], [ 0, 0.0092132, -0.01204779 ], [ 0, -0.00070208, 0.01006982 ], [ -0.0005097, 0.00668025, 0.00296185 ], [ 0.0005097, 0.00668025, 0.00296185 ], [ -0.01072314, -0.01591258, -0.00121911 ], [ 0.01072314, -0.01591258, -0.00121911 ], [ 0, 0.00572612, -0.00999791 ], [ 0, 0.02543454, -0.01463849 ], [ -0.00503143, 0.00860513, -0.00175452 ], [ 0.00503143, 0.00860513, -0.00175452 ] ]
pbe
true
10
agm005266323-pbe-5
5
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49551186, 0, 0 ], [ 0, 6.73535908, 0.00239737 ], [ 0, 2.24018699, 15.87128451 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74775593, 2.2417919976494574, 11.107654731209841 ], [ 2.74775593, 6.733754072350543, 4.766027148790159 ], [ 2.74775593, 3.385428815635012, 14.28121270759821 ], [ 0, 3.36767954, 0.001198685 ], [ 2.74775593, 5.602460096837485, 11.096280066411245 ], [ 0, 7.828098282842563, 12.691207935810263 ], [ 2.74775593, 1.120093495, 7.935642255 ], [ 0, 3.3717759405269936, 9.501411184925585 ], [ 2.74775593, 3.373085973162515, 4.777401813588756 ], [ 0, 5.603770129473007, 6.372270695074417 ], [ 2.74775593, 5.590117254364988, 1.5924691724017905 ], [ 0, 1.1474477871574373, 3.182473944189738 ], [ 4.136300811648035, 4.462442245338524, 15.087478128204397 ], [ 1.3592110483519644, 4.462442245338524, 15.087478128204397 ], [ 0, 6.753053973081381, 14.303305663088725 ], [ 2.74775593, 0, 0 ], [ 4.106022189952993, 6.752205869152947, 11.89670008850107 ], [ 4.1220024240253315, 2.239687637530489, 13.492073424812475 ], [ 1.3894896700470067, 6.752205869152947, 11.89670008850107 ], [ 1.3735094359746682, 2.239687637530489, 13.492073424812475 ], [ 2.74775593, 4.463221242669562, 12.681898366233249 ], [ 0, 2.2390781927447745, 11.112040844024422 ], [ 4.107589839666177, 4.462341690435708, 10.324899162112956 ], [ 4.107622373096389, 2.2423237038741655, 8.754055329051042 ], [ 1.387922020333823, 4.462341690435708, 10.324899162112956 ], [ 1.3878894869036118, 2.2423237038741655, 8.754055329051042 ], [ 2.74775593, 6.755041571067173, 9.541916933261499 ], [ 0, 4.487773035, 7.936840940000001 ], [ 1.387922020333823, 4.513204379564292, 5.548782717887043 ], [ 1.3878894869036118, 6.733222366125835, 7.119626550948958 ], [ 4.107622373096389, 6.733222366125835, 7.119626550948958 ], [ 4.107589839666177, 4.513204379564292, 5.548782717887043 ], [ 0, 6.736467877255226, 4.761641035975579 ], [ 2.74775593, 2.2205044989328275, 6.331764946738502 ], [ 1.3735094359746682, 6.735858432469512, 2.3816084551875267 ], [ 4.1220024240253315, 6.735858432469512, 2.3816084551875267 ], [ 1.3894896700470067, 2.223340200847054, 3.9769817914989303 ], [ 4.106022189952993, 2.223340200847054, 3.9769817914989303 ], [ 0, 2.22249209691862, 1.5703762169112752 ], [ 2.74775593, 4.512324827330438, 3.1917835137667505 ], [ 1.3592110483519644, 4.513103824661476, 0.7862037517956043 ], [ 4.136300811648035, 4.513103824661476, 0.7862037517956043 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ -0.63208118, 0, 0 ], [ 0, -0.70574637, -0.03784678 ], [ 0, -0.03784682, -0.59538929 ] ]
-311.460495
-376.450495
[ [ 0, 0, 0 ], [ 0, -0.00023976, -0.00986457 ], [ 0, 0.00023976, 0.00986457 ], [ 0, 0.01081694, -0.03067943 ], [ 0, 0, 0 ], [ 0, -0.02834703, -0.02318271 ], [ 0, 0.00364643, -0.00630181 ], [ 0, 0, 0 ], [ 0, 0.0341041, -0.02060457 ], [ 0, 0.02834703, 0.02318271 ], [ 0, -0.0341041, 0.02060457 ], [ 0, -0.01081694, 0.03067943 ], [ 0, -0.00364643, 0.00630181 ], [ 0.00513738, -0.00853988, 0.00167784 ], [ -0.00513738, -0.00853988, 0.00167784 ], [ 0, -0.0059281, 0.00999948 ], [ 0, 0, 0 ], [ 0.01059688, 0.01573807, 0.00070468 ], [ 0.00028369, -0.00645287, -0.00317818 ], [ -0.01059688, 0.01573807, 0.00070468 ], [ -0.00028369, -0.00645287, -0.00317818 ], [ 0, -0.02525932, 0.0138925 ], [ 0, -0.00911477, 0.0114896 ], [ -0.00151312, -0.01355389, 0.00432615 ], [ -0.00603597, -0.01396193, 0.00909846 ], [ 0.00151312, -0.01355389, 0.00432615 ], [ 0.00603597, -0.01396193, 0.00909846 ], [ 0, 0.00043871, -0.00986706 ], [ 0, 0, 0 ], [ 0.00151312, 0.01355389, -0.00432615 ], [ 0.00603597, 0.01396193, -0.00909846 ], [ -0.00603597, 0.01396193, -0.00909846 ], [ -0.00151312, 0.01355389, -0.00432615 ], [ 0, 0.00911477, -0.0114896 ], [ 0, -0.00043871, 0.00986706 ], [ -0.00028369, 0.00645287, 0.00317818 ], [ 0.00028369, 0.00645287, 0.00317818 ], [ -0.01059688, -0.01573807, -0.00070468 ], [ 0.01059688, -0.01573807, -0.00070468 ], [ 0, 0.0059281, -0.00999948 ], [ 0, 0.02525932, -0.0138925 ], [ -0.00513738, 0.00853988, -0.00167784 ], [ 0.00513738, 0.00853988, -0.00167784 ] ]
pbe
true
10
agm005266323-pbe-6
6
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49400048, 0, 0 ], [ 0, 6.73462454, 0.00294726 ], [ 0, 2.24123896, 15.86982921 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74700024, 2.242332833617284, 11.105997596160137 ], [ 2.74700024, 6.733530666382717, 4.766778873839865 ], [ 2.74700024, 3.3863419379757973, 14.278895426067548 ], [ 0, 3.36731227, 0.00147363 ], [ 2.74700024, 5.601889355168849, 11.09481861429465 ], [ 0, 7.828653424531137, 12.689705307445804 ], [ 2.74700024, 1.12061948, 7.934914605 ], [ 0, 3.3727890678846206, 9.500220981297621 ], [ 2.74700024, 3.373974144831151, 4.777957855705348 ], [ 0, 5.603074432115379, 6.372555488702377 ], [ 2.74700024, 5.589521562024202, 1.593881043932454 ], [ 0, 1.1472100754688632, 3.1830711625541954 ], [ 4.135754781972749, 4.462041771488949, 15.086468982201692 ], [ 1.3582456980272513, 4.462041771488949, 15.086468982201692 ], [ 0, 6.753754131202128, 14.30308313461561 ], [ 2.74700024, 0, 0 ], [ 4.105102324854704, 6.753604763543679, 11.895645630187396 ], [ 4.120616393290137, 2.2402018992933344, 13.49071641801045 ], [ 1.3888981551452961, 6.753604763543679, 11.895645630187396 ], [ 1.3733840867098623, 2.2402018992933344, 13.49071641801045 ], [ 2.74700024, 4.461757813539127, 12.680642900426111 ], [ 0, 2.2391550607855906, 11.11156061716275 ], [ 4.105488937668482, 4.461465689865147, 10.324662930792512 ], [ 4.1061614582672386, 2.2421553963231307, 8.754543313586327 ], [ 1.3885115423315186, 4.461465689865147, 10.324662930792512 ], [ 1.3878390217327616, 2.2421553963231307, 8.754543313586327 ], [ 2.74700024, 6.755028390822505, 9.541656047624416 ], [ 0, 4.48793175, 7.936388235 ], [ 1.3885115423315186, 4.514397810134853, 5.548113539207487 ], [ 1.3878390217327616, 6.73370810367687, 7.118233156413672 ], [ 4.1061614582672386, 6.73370810367687, 7.118233156413672 ], [ 4.105488937668482, 4.514397810134853, 5.548113539207487 ], [ 0, 6.73670843921441, 4.761215852837251 ], [ 2.74700024, 2.220835109177495, 6.331120422375583 ], [ 1.3733840867098623, 6.735661600706666, 2.3820600519895496 ], [ 4.120616393290137, 6.735661600706666, 2.3820600519895496 ], [ 1.3888981551452961, 2.2222587364563213, 3.977130839812604 ], [ 4.105102324854704, 2.2222587364563213, 3.977130839812604 ], [ 0, 2.2221093687978724, 1.5696933353843907 ], [ 2.74700024, 4.514105686460874, 3.192133569573888 ], [ 1.3582456980272513, 4.513821728511052, 0.7863074877983083 ], [ 4.135754781972749, 4.513821728511052, 0.7863074877983083 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ 0.55088855, 0, 0 ], [ 0, 0.31295533, -0.23629403 ], [ 0, -0.23629383, 0.50786571 ] ]
-311.460767
-376.450767
[ [ 0, 0, 0 ], [ 0, -0.00340074, -0.01007061 ], [ 0, 0.00340074, 0.01007061 ], [ 0, -0.01739742, 0.0109327 ], [ 0, 0, 0 ], [ 0, 0.01843275, -0.00882997 ], [ 0, -0.00102416, 0.00506948 ], [ 0, 0, 0 ], [ 0, -0.01498185, -0.00289831 ], [ 0, -0.01843275, 0.00882997 ], [ 0, 0.01498185, 0.00289831 ], [ 0, 0.01739742, -0.0109327 ], [ 0, 0.00102416, -0.00506948 ], [ -0.00028139, 0.00259621, -0.00207258 ], [ 0.00028139, 0.00259621, -0.00207258 ], [ 0, -0.00865444, 0.00208369 ], [ 0, 0, 0 ], [ -0.01049657, -0.0135287, -0.00648361 ], [ 0.00194062, -0.0035781, -0.0013408 ], [ 0.01049657, -0.0135287, -0.00648361 ], [ -0.00194062, -0.0035781, -0.0013408 ], [ 0, 0.00123017, 0.00098798 ], [ 0, 0.00972742, -0.00173533 ], [ 0.01348049, -0.00719159, -0.0009635 ], [ 0.00531696, -0.00280089, 0.0044533 ], [ -0.01348049, -0.00719159, -0.0009635 ], [ -0.00531696, -0.00280089, 0.0044533 ], [ 0, -0.0159278, -0.00647598 ], [ 0, 0, 0 ], [ -0.01348049, 0.00719159, 0.0009635 ], [ -0.00531696, 0.00280089, -0.0044533 ], [ 0.00531696, 0.00280089, -0.0044533 ], [ 0.01348049, 0.00719159, 0.0009635 ], [ 0, -0.00972742, 0.00173533 ], [ 0, 0.0159278, 0.00647598 ], [ -0.00194062, 0.0035781, 0.0013408 ], [ 0.00194062, 0.0035781, 0.0013408 ], [ 0.01049657, 0.0135287, 0.00648361 ], [ -0.01049657, 0.0135287, 0.00648361 ], [ 0, 0.00865444, -0.00208369 ], [ 0, -0.00123017, -0.00098798 ], [ 0.00028139, -0.00259621, 0.00207258 ], [ -0.00028139, -0.00259621, 0.00207258 ] ]
pbe
true
10
agm005266323-pbe-7
7
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49436124, 0, 0 ], [ 0, 6.73479987, 0.002816 ], [ 0, 2.24098786, 15.87017658 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.74718062, 2.242203779155339, 11.106393237832318 ], [ 2.74718062, 6.733583950844661, 4.766599342167684 ], [ 2.74718062, 3.3861239592968237, 14.279448486670665 ], [ 0, 3.367399935, 0.001408 ], [ 2.74718062, 5.602025579985656, 11.095167424058682 ], [ 0, 7.828520922952256, 12.690063995300047 ], [ 2.74718062, 1.12049393, 7.93508829 ], [ 0, 3.372547245809122, 9.500505105064006 ], [ 2.74718062, 3.3737621500143433, 4.777825155941318 ], [ 0, 5.603240484190878, 6.372487474935994 ], [ 2.74718062, 5.589663770703176, 1.5935440933293363 ], [ 0, 1.147266807047744, 3.1829285846999547 ], [ 4.135885093617054, 4.462137338957669, 15.086709896507372 ], [ 1.358476146382946, 4.462137338957669, 15.086709896507372 ], [ 0, 6.753587005170383, 14.303136131943516 ], [ 2.74718062, 0, 0 ], [ 4.105321885065368, 6.753270842641049, 11.895897407644645 ], [ 4.120947244052192, 2.2400791645981037, 13.491040285597046 ], [ 1.3890393549346318, 6.753270842641049, 11.895897407644645 ], [ 1.3734139959478082, 2.2400791645981037, 13.491040285597046 ], [ 2.74718062, 4.462107129439326, 12.680942528972993 ], [ 0, 2.239136739843293, 11.11167514265645 ], [ 4.105990438941051, 4.461674769504353, 10.324719235281712 ], [ 4.106510205514355, 2.242195551263348, 8.754426886302374 ], [ 1.3883708010589488, 4.461674769504353, 10.324719235281712 ], [ 1.387851034485645, 2.242195551263348, 8.754426886302374 ], [ 2.74718062, 6.755031566358168, 9.541718354226447 ], [ 0, 4.487893865, 7.93649629 ], [ 1.3883708010589488, 4.5141129604956465, 5.548273344718287 ], [ 1.387851034485645, 6.733592178736652, 7.118565693697626 ], [ 4.106510205514355, 6.733592178736652, 7.118565693697626 ], [ 4.105990438941051, 4.5141129604956465, 5.548273344718287 ], [ 0, 6.736650990156707, 4.76131743734355 ], [ 2.74718062, 2.2207561636418323, 6.331274225773554 ], [ 1.3734139959478082, 6.735708565401896, 2.381952294402953 ], [ 4.120947244052192, 6.735708565401896, 2.381952294402953 ], [ 1.3890393549346318, 2.22251688735895, 3.9770951723553556 ], [ 4.105321885065368, 2.22251688735895, 3.9770951723553556 ], [ 0, 2.2222007248296167, 1.5698564480564854 ], [ 2.74718062, 4.513680600560673, 3.1920500510270067 ], [ 1.358476146382946, 4.513650391042332, 0.7862826834926286 ], [ 4.135885093617054, 4.513650391042332, 0.7862826834926286 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ 0.26568959, 0, 0 ], [ 0, 0.06669013, -0.18860592 ], [ 0, -0.18860586, 0.24067574 ] ]
-311.460798
-376.450798
[ [ 0, 0, 0 ], [ 0, -0.00267251, -0.0097766 ], [ 0, 0.00267251, 0.0097766 ], [ 0, -0.01052103, 0.00108944 ], [ 0, 0, 0 ], [ 0, 0.00723734, -0.01209146 ], [ 0, 0.00019085, 0.00276939 ], [ 0, 0, 0 ], [ 0, -0.00300389, -0.00711186 ], [ 0, -0.00723734, 0.01209146 ], [ 0, 0.00300389, 0.00711186 ], [ 0, 0.01052103, -0.00108944 ], [ 0, -0.00019085, -0.00276939 ], [ 0.00090542, 0.0000658, -0.00099171 ], [ -0.00090542, 0.0000658, -0.00099171 ], [ 0, -0.00810353, 0.00432691 ], [ 0, 0, 0 ], [ -0.00554506, -0.00670519, -0.00428889 ], [ 0.00156687, -0.0042582, -0.00122345 ], [ 0.00554506, -0.00670519, -0.00428889 ], [ -0.00156687, -0.0042582, -0.00122345 ], [ 0, -0.00493051, 0.00476265 ], [ 0, 0.00522154, 0.00183112 ], [ 0.01006583, -0.00857092, 0.00048556 ], [ 0.00271927, -0.00535346, 0.00559866 ], [ -0.01006583, -0.00857092, 0.00048556 ], [ -0.00271927, -0.00535346, 0.00559866 ], [ 0, -0.01224155, -0.00694143 ], [ 0, 0, 0 ], [ -0.01006583, 0.00857092, -0.00048556 ], [ -0.00271927, 0.00535346, -0.00559866 ], [ 0.00271927, 0.00535346, -0.00559866 ], [ 0.01006583, 0.00857092, -0.00048556 ], [ 0, -0.00522154, -0.00183112 ], [ 0, 0.01224155, 0.00694143 ], [ -0.00156687, 0.0042582, 0.00122345 ], [ 0.00156687, 0.0042582, 0.00122345 ], [ 0.00554506, 0.00670519, 0.00428889 ], [ -0.00554506, 0.00670519, 0.00428889 ], [ 0, 0.00810353, -0.00432691 ], [ 0, 0.00493051, -0.00476265 ], [ -0.00090542, -0.0000658, 0.00099171 ], [ 0.00090542, -0.0000658, 0.00099171 ] ]
pbe
true
10
agm005266323-pbe-8
8
0
[ "Na", "O", "W" ]
43
A30B10C3
Na3O30W10
Na3 W10 O30
3
[ 1, 1, 1 ]
3
[ [ 5.49457105, 0, 0 ], [ 0, 6.73481293, 0.00248801 ], [ 0, 2.24021893, 15.87105723 ] ]
agm005266323
[ [ 0, 0, 0 ], [ 2.747285525, 2.2415369300839707, 11.106453732287413 ], [ 2.747285525, 6.73349492991603, 4.767091507712586 ], [ 2.747285525, 3.385036203009827, 14.280004480432074 ], [ 0, 3.367406465, 0.001244005 ], [ 2.747285525, 5.6016204921498725, 11.094955681288265 ], [ 0, 7.827996422110459, 12.690426293677184 ], [ 2.747285525, 1.120109465, 7.935528615 ], [ 0, 3.3720860200760585, 9.500556570875245 ], [ 2.747285525, 3.3734113678501276, 4.778589558711736 ], [ 0, 5.602945839923942, 6.372988669124753 ], [ 2.747285525, 5.589995656990173, 1.593540759567925 ], [ 0, 1.1470354378895418, 3.1831189463228156 ], [ 4.136191876202637, 4.461195380614313, 15.087428768901272 ], [ 1.358379173797363, 4.461195380614313, 15.087428768901272 ], [ 0, 6.752630335565758, 14.304005987953127 ], [ 2.747285525, 0, 0 ], [ 4.105296837265565, 6.752657925610367, 11.896066840127418 ], [ 4.121119223843987, 2.2391905125621925, 13.49169569067187 ], [ 1.3892742127344344, 6.752657925610367, 11.896066840127418 ], [ 1.3734518261560125, 2.2391905125621925, 13.49169569067187 ], [ 2.747285525, 4.460917601219763, 12.681647383388057 ], [ 0, 2.238696767569982, 11.11242449176958 ], [ 4.106364762094843, 4.460602957299779, 10.325253821480496 ], [ 4.1067126783337295, 2.2414376064215427, 8.755317580896289 ], [ 1.3882062879051564, 4.460602957299779, 10.325253821480496 ], [ 1.3878583716662707, 2.2414376064215427, 8.755317580896289 ], [ 2.747285525, 6.754079755352313, 9.541739588806575 ], [ 0, 4.487515930000001, 7.93677262 ], [ 1.3882062879051564, 4.514428902700222, 5.548291418519505 ], [ 1.3878583716662707, 6.733594253578458, 7.11822765910371 ], [ 4.1067126783337295, 6.733594253578458, 7.11822765910371 ], [ 4.106364762094843, 4.514428902700222, 5.548291418519505 ], [ 0, 6.736335092430019, 4.761120748230418 ], [ 2.747285525, 2.220952104647687, 6.331805651193425 ], [ 1.3734518261560125, 6.735841347437808, 2.38184954932813 ], [ 4.121119223843987, 6.735841347437808, 2.38184954932813 ], [ 1.3892742127344344, 2.222373934389634, 3.977478399872583 ], [ 4.105296837265565, 2.222373934389634, 3.977478399872583 ], [ 0, 2.2224015244342428, 1.5695392520468732 ], [ 2.747285525, 4.514114258780237, 3.1918978566119414 ], [ 1.358379173797363, 4.513836479385688, 0.7861164710987287 ], [ 4.136191876202637, 4.513836479385688, 0.7861164710987287 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Na", "Na", "Na", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.06976744186046512, 0.6976744186046512, 0.23255813953488372 ]
[ [ 0.112018, 0, 0 ], [ 0, -0.10910115, 0.00019956 ], [ 0, 0.00019972, -0.0869615 ] ]
-311.460886
-376.450886
[ [ 0, 0, 0 ], [ 0, -0.00147374, -0.00831261 ], [ 0, 0.00147374, 0.00831261 ], [ 0, 0.00541711, -0.00000681 ], [ 0, 0, 0 ], [ 0, -0.00661894, 0.00588252 ], [ 0, -0.00613964, -0.00407923 ], [ 0, 0, 0 ], [ 0, -0.00932458, 0.00921805 ], [ 0, 0.00661894, -0.00588252 ], [ 0, 0.00932458, -0.00921805 ], [ 0, -0.00541711, 0.00000681 ], [ 0, 0.00613964, 0.00407923 ], [ -0.00259343, -0.00219339, -0.00190517 ], [ 0.00259343, -0.00219339, -0.00190517 ], [ 0, -0.00130209, -0.00695303 ], [ 0, 0, 0 ], [ -0.00142487, -0.00577224, -0.0031679 ], [ 0.001331, -0.00576899, 0.00096865 ], [ 0.00142487, -0.00577224, -0.0031679 ], [ -0.001331, -0.00576899, 0.00096865 ], [ 0, 0.00005948, -0.00259791 ], [ 0, 0.0001231, 0.00516583 ], [ 0.00220199, -0.00118098, 0.00070802 ], [ -0.00100381, -0.00773149, 0.00067417 ], [ -0.00220199, -0.00118098, 0.00070802 ], [ 0.00100381, -0.00773149, 0.00067417 ], [ 0, -0.01197425, -0.01143072 ], [ 0, 0, 0 ], [ -0.00220199, 0.00118098, -0.00070802 ], [ 0.00100381, 0.00773149, -0.00067417 ], [ -0.00100381, 0.00773149, -0.00067417 ], [ 0.00220199, 0.00118098, -0.00070802 ], [ 0, -0.0001231, -0.00516583 ], [ 0, 0.01197425, 0.01143072 ], [ -0.001331, 0.00576899, -0.00096865 ], [ 0.001331, 0.00576899, -0.00096865 ], [ 0.00142487, 0.00577224, 0.0031679 ], [ -0.00142487, 0.00577224, 0.0031679 ], [ 0, 0.00130209, 0.00695303 ], [ 0, -0.00005948, 0.00259791 ], [ 0.00259343, 0.00219339, 0.00190517 ], [ -0.00259343, 0.00219339, 0.00190517 ] ]
pbe
true
10
agm005266323-pbe-9
9
0
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.342513, 0, 0 ], [ 0, 5.046749, 0 ], [ 0, 0.999522, 6.932307 ] ]
agm005266447
[ [ 4.269080807438001, 4.035128683792, 1.731149568654 ], [ 0.09782430743800001, 2.0111423162079998, 5.201157431346 ], [ 2.932443374578, 1.442862516565, 0.757534779732 ], [ 7.103699874578, 4.603408483435, 6.174772220267999 ], [ 8.330399671124, 1.479247528382, 1.8191066798699997 ], [ 4.159143171124, 4.5670234716180005, 5.11320032013 ], [ 5.6528784662869995, 2.013394313528, 6.778791061485 ], [ 6.8388918269320005, 3.9490665301699996, 3.3237916434479997 ], [ 1.481621966287, 4.032876686472, 0.153515938515 ], [ 2.667635326932, 2.0972044698300003, 3.608515356552 ], [ 0.591801187194, 5.372888695856, 5.917486578269999 ], [ 2.950229612294, 3.028890206622, 4.82502431814 ], [ 5.543057625155, 0.96350176807, 5.622683290788 ], [ 1.371801125155, 5.0827692319299995, 1.309623709212 ], [ 3.303868738364, 2.540431006199, 2.321380051248 ], [ 7.475125238364001, 3.5058399938010005, 4.610926948752 ], [ 4.763057687193999, 0.673382304144, 1.0148204217299999 ], [ 5.3021175072019995, 4.107160587088, 3.49922060439 ], [ 7.121486112294001, 3.0173807933780004, 2.1072826818599997 ], [ 1.130861007202, 1.9391104129120003, 3.4330863956099997 ], [ 7.17589598208, 1.0617561980730001, 0.20508537028799997 ], [ 3.00463948208, 4.984514801927, 6.727221629711999 ], [ 3.217014835521, 0.675881087195, 4.046657955873 ], [ 7.388271335521, 5.370389912805, 2.8856490441269997 ], [ 5.275204560264, 3.462642437051, 6.27082626606 ], [ 1.103948060264, 2.583628562949, 0.6614807339400001 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -2.73167368, 0, 0 ], [ 0, -1.21160593, 3.46184035 ], [ 0, 3.46184031, -0.86173914 ] ]
-180.920845
null
[ [ 0.01227766, 0.00020178, 0.08817805 ], [ 0.01227766, -0.00020178, -0.08817805 ], [ 0.00372829, 0.03063632, 0.15400907 ], [ 0.00372829, -0.03063632, -0.15400907 ], [ -0.02209239, -0.00372411, 0.0228661 ], [ -0.02209239, 0.00372411, -0.0228661 ], [ -0.05711341, 0.00378688, 0.07814052 ], [ 0.07439321, -0.04465896, 0.18655063 ], [ -0.05711341, -0.00378688, -0.07814052 ], [ 0.07439321, 0.04465896, -0.18655063 ], [ 0.05502442, 0.04342696, 0.15154796 ], [ -0.00901544, 0.06825243, 0.02489432 ], [ 0.01604696, -0.08033791, -0.03112852 ], [ 0.01604696, 0.08033791, 0.03112852 ], [ -0.05940712, -0.05665169, 0.21786734 ], [ -0.05940712, 0.05665169, -0.21786734 ], [ 0.05502442, -0.04342696, -0.15154796 ], [ -0.02090228, -0.00938529, 0.05303231 ], [ -0.00901544, -0.06825243, -0.02489432 ], [ -0.02090228, 0.00938529, -0.05303231 ], [ 0.03588462, 0.04598558, 0.02703266 ], [ 0.03588462, -0.04598558, -0.02703266 ], [ 0.03192028, -0.0340333, 0.07471808 ], [ 0.03192028, 0.0340333, -0.07471808 ], [ -0.0607448, -0.00982002, -0.05025737 ], [ -0.0607448, 0.00982002, 0.05025737 ] ]
pbe
true
4
agm005266447-pbe-0
0
0
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.33481001, 0, 0 ], [ 0, 5.04468216, 0.00590544 ], [ 0, 1.00722448, 6.93145735 ] ]
agm005266447
[ [ 4.26573075868797, 4.035516571596851, 1.73961972885481 ], [ 0.09832575368797, 2.016390068403149, 5.19774306114519 ], [ 2.9299154258788755, 1.444644099747804, 0.766431891200099 ], [ 7.0973204308788755, 4.607262540252196, 6.170930898799901 ], [ 8.321643093886703, 1.480592073506625, 1.821410355698247 ], [ 4.154238088886703, 4.571314566493375, 5.115952434301753 ], [ 5.644906190263987, 2.0206889608850593, 6.782941342471726 ], [ 6.836162828303942, 3.9491955065463866, 3.336439067703542 ], [ 1.4775011852639874, 4.031217679114941, 0.15442144752827347 ], [ 2.6687578233039417, 2.102711133453613, 3.6009237222964585 ], [ 0.5939068056864619, 5.379715347232127, 5.929361418178264 ], [ 2.947071048670559, 3.0365884599221347, 4.8283675918988065 ], [ 5.538712959363278, 0.9658106542907681, 5.620667114775662 ], [ 1.371307954363278, 5.086095985709232, 1.3166956752243368 ], [ 3.2979547980094446, 2.5393873575698254, 2.3341807868096347 ], [ 7.465359803009445, 3.5125192824301745, 4.603182003190364 ], [ 4.761311810686462, 0.6721912927678727, 1.008001371821736 ], [ 5.296214412609632, 4.109123551614039, 3.5055644988992842 ], [ 7.1144760536705585, 3.0153181800778657, 2.1089951981011934 ], [ 1.1288094076096313, 1.942783088385961, 3.4317982911007157 ], [ 7.1709997346267755, 1.063780403386109, 0.2075743659917028 ], [ 3.003594729626775, 4.9881262366138905, 6.729788424008297 ], [ 3.215582954205916, 0.6787025138237162, 4.049871748873643 ], [ 7.382987959205916, 5.373204126176283, 2.887491041126357 ], [ 5.267405975291068, 3.468085767326824, 6.270627083137973 ], [ 1.1000009702910671, 2.5838208726731757, 0.6667357068620264 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 3.03453705, 0, 0 ], [ 0, -1.35203682, -8.37519261 ], [ 0, -8.37519264, 16.58242221 ] ]
-180.901929
null
[ [ 0.02040655, 0.00062021, 0.07386294 ], [ 0.02040655, -0.00062021, -0.07386294 ], [ -0.01709984, 0.02281408, 0.11571804 ], [ -0.01709984, -0.02281408, -0.11571804 ], [ -0.01116811, 0.02654943, -0.03286267 ], [ -0.01116811, -0.02654943, 0.03286267 ], [ 0.35676502, -0.00779842, -0.53119776 ], [ -0.42360475, 0.21083612, -1.06204481 ], [ 0.35676502, 0.00779842, 0.53119776 ], [ -0.42360475, -0.21083612, 1.06204481 ], [ -0.31580292, 0.16050664, -0.34424375 ], [ -0.08189955, -0.13063523, -0.20820197 ], [ 0.07596627, 0.0933957, 0.12941864 ], [ 0.07596627, -0.0933957, -0.12941864 ], [ 0.44069922, 0.25895353, -0.73811678 ], [ 0.44069922, -0.25895353, 0.73811678 ], [ -0.31580292, -0.16050664, 0.34424375 ], [ 0.08341942, -0.02473243, 0.00135854 ], [ -0.08189955, 0.13063523, 0.20820197 ], [ 0.08341942, 0.02473243, -0.00135854 ], [ -0.06991097, 0.03762397, -0.0441151 ], [ -0.06991097, -0.03762397, 0.0441151 ], [ -0.06310985, 0.15085468, -0.05560895 ], [ -0.06310985, -0.15085468, 0.05560895 ], [ 0.00533952, -0.06576268, -0.00399673 ], [ 0.00533952, 0.06576268, 0.00399673 ] ]
pbe
true
4
agm005266447-pbe-1
1
0
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.30593102, 0, 0 ], [ 0, 5.03649268, 0.01647558 ], [ 0, 1.02005142, 7.00822461 ] ]
agm005266447
[ [ 4.259119959756971, 4.033741548698929, 1.809928249745984 ], [ 0.10615444975697119, 2.0228025513010706, 5.214771940254016 ], [ 2.920050801024272, 1.4581373259295143, 0.8528040480463469 ], [ 7.073016311024272, 4.598406774070487, 6.171896141953653 ], [ 8.29029527097347, 1.4872631995803967, 1.8377389839428264 ], [ 4.137329760973469, 4.569280900419604, 5.186961206057174 ], [ 5.632061618841641, 2.0158970306557498, 6.839431149216818 ], [ 6.808427888247005, 3.9429595086985136, 3.3593596584343532 ], [ 1.4790961088416417, 4.04064706934425, 0.18526904078318218 ], [ 2.655462378247005, 2.113584591301487, 3.665340531565647 ], [ 0.5846134531985612, 5.413414622571241, 6.032845433587716 ], [ 2.917800309014403, 3.0482573306623824, 4.8726755055897994 ], [ 5.540391134656656, 0.9648256398046138, 5.690359907352257 ], [ 1.387425624656657, 5.091718460195387, 1.3343402826477428 ], [ 3.3060319837857337, 2.540145116039907, 2.3853521770434027 ], [ 7.458997493785733, 3.5163989839600935, 4.639348012956597 ], [ 4.737578963198561, 0.643129477428759, 0.9918547564122837 ], [ 5.274027153005243, 4.106042445503084, 3.5667310865750426 ], [ 7.070765819014404, 3.0082867693376176, 2.1520246844102 ], [ 1.1210616430052442, 1.9505016544969167, 3.457969103424958 ], [ 7.147738709081567, 1.086272909988821, 0.2137435938294399 ], [ 2.9947731990815676, 4.970271190011179, 6.81095659617056 ], [ 3.202354777955477, 0.6969762204126526, 4.113280425524789 ], [ 7.355320287955477, 5.359567879587348, 2.9114197644752102 ], [ 5.230806659527502, 3.461317920653346, 6.324020002995739 ], [ 1.077841149527503, 2.595226179346654, 0.7006801870042612 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -1.32549152, 0, 0 ], [ 0, 7.57943965, 4.20527937 ], [ 0, 4.20527959, 9.20852228 ] ]
-180.963842
null
[ [ 0.04105116, 0.04047698, 0.02254667 ], [ 0.04105116, -0.04047698, -0.02254667 ], [ 0.04091517, -0.00454667, 0.01491637 ], [ 0.04091517, 0.00454667, -0.01491637 ], [ -0.0679588, 0.0280653, -0.0181307 ], [ -0.0679588, -0.0280653, 0.0181307 ], [ 0.00631855, 0.1770291, 0.30241423 ], [ -0.17906266, 0.14368282, 0.17859025 ], [ 0.00631855, -0.1770291, -0.30241423 ], [ -0.17906266, -0.14368282, -0.17859025 ], [ -0.01380058, -0.05968101, 0.0356703 ], [ -0.04279402, 0.15884075, 0.14715298 ], [ 0.07791055, -0.09442368, -0.1689533 ], [ 0.07791055, 0.09442368, 0.1689533 ], [ 0.07502298, 0.03492686, -0.06550992 ], [ 0.07502298, -0.03492686, 0.06550992 ], [ -0.01380058, 0.05968101, -0.0356703 ], [ 0.06138174, 0.03636783, -0.03499128 ], [ -0.04279402, -0.15884075, -0.14715298 ], [ 0.06138174, -0.03636783, 0.03499128 ], [ -0.13639084, 0.02956913, -0.0781098 ], [ -0.13639084, -0.02956913, 0.0781098 ], [ 0.01986185, -0.04340459, 0.0809238 ], [ 0.01986185, 0.04340459, -0.0809238 ], [ 0.11754492, -0.20713347, -0.00829113 ], [ 0.11754492, 0.20713347, 0.00829113 ] ]
pbe
true
4
agm005266447-pbe-10
10
0
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.09221482, 0, 0 ], [ 0, 5.04234978, 0.10044508 ], [ 0, 1.13652653, 7.3809545 ] ]
agm005266447
[ [ 4.09889745891116, 4.235884362536094, 2.1822883670492206 ], [ 0.0527900489111592, 1.942991947463907, 5.299111212950779 ], [ 2.9949882635830756, 1.7581348806556836, 0.9300468102615181 ], [ 7.041095673583076, 4.420741429344317, 6.5513527697384815 ], [ 8.058954279568985, 1.5433650912795174, 1.929281418608339 ], [ 4.0128468695689845, 4.635511218720484, 5.552118161391661 ], [ 5.5045064335531535, 2.013608068401069, 7.2063101930119755 ], [ 6.613168672177913, 3.92234641100051, 3.5954882623225974 ], [ 1.4583990235531537, 4.165268241598932, 0.2750893869880244 ], [ 2.567061262177913, 2.2565298989994904, 3.8859113176774027 ], [ 0.5603970435414517, 5.54461035169362, 6.471341084102569 ], [ 2.5947767742478205, 3.397980008208334, 4.938335305814434 ], [ 5.584400708626718, 5.834668288414124, 6.337205260119975 ], [ 1.5382932986267173, 0.3442080215858756, 1.1441943198800246 ], [ 3.2878668813660004, 2.5893528216112083, 2.6079779791094575 ], [ 7.333974291366, 3.5895234883887923, 4.873421600890542 ], [ 4.606504453541452, 0.6342659583063803, 1.0100584958974304 ], [ 5.139568261241093, 4.3384805510753655, 3.864724875719771 ], [ 6.64088418424782, 2.7808963017916666, 2.5430642741855656 ], [ 1.0934608512410928, 1.840395758924635, 3.616674704280228 ], [ 6.950071851778973, 1.3325340106534256, 0.2004207038095896 ], [ 2.903964441778973, 4.846342299346574, 7.28097887619041 ], [ 3.248692226655936, 1.0245670603158354, 4.619918450033852 ], [ 7.294799636655935, 5.1543092496841645, 2.8614811299661476 ], [ 4.9049411281513455, 3.2357927365102506, 6.400600543667445 ], [ 0.8588337181513452, 2.94308357348975, 1.0807990363325544 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -2.00322907, 0, 0 ], [ 0, -1.90373883, 0.4458745 ], [ 0, 0.4458743, 0.21894623 ] ]
-181.188478
null
[ [ 0.00097987, 0.00319984, 0.00680648 ], [ 0.00097987, -0.00319984, -0.00680648 ], [ 0.00109657, 0.00366194, 0.01271335 ], [ 0.00109657, -0.00366194, -0.01271335 ], [ -0.00573487, 0.00528694, 0.00377031 ], [ -0.00573487, -0.00528694, -0.00377031 ], [ -0.0173629, -0.03540779, 0.01096986 ], [ 0.02406234, -0.04343201, 0.01667489 ], [ -0.0173629, 0.03540779, -0.01096986 ], [ 0.02406234, 0.04343201, -0.01667489 ], [ 0.03604751, -0.00493477, 0.06367732 ], [ 0.01040681, -0.04972911, -0.05460664 ], [ -0.0105969, 0.04364695, 0.04250166 ], [ -0.0105969, -0.04364695, -0.04250166 ], [ -0.03434493, -0.01637587, 0.06723598 ], [ -0.03434493, 0.01637587, -0.06723598 ], [ 0.03604751, 0.00493477, -0.06367732 ], [ 0.00619787, -0.00343365, 0.00385808 ], [ 0.01040681, 0.04972911, 0.05460664 ], [ 0.00619787, 0.00343365, -0.00385808 ], [ -0.00877551, -0.00441461, 0.00285351 ], [ -0.00877551, 0.00441461, -0.00285351 ], [ -0.00129484, 0.00350355, -0.00194682 ], [ -0.00129484, -0.00350355, 0.00194682 ], [ -0.00068102, -0.00397543, 0.00276335 ], [ -0.00068102, 0.00397543, -0.00276335 ] ]
pbe
true
4
agm005266447-pbe-100
100
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.09053123, 0, 0 ], [ 0, 5.04218342, 0.10187302 ], [ 0, 1.13844219, 7.38783481 ] ]
agm005266447
[ [ 4.097989018055917, 4.236384909447944, 2.1855355669976357 ], [ 0.052723403055916405, 1.9442407005520554, 5.304172263002364 ], [ 2.9943802838262528, 1.7583646852583703, 0.9316015820074194 ], [ 7.039645898826253, 4.42226092474163, 6.558106247992581 ], [ 8.057230198930759, 1.5439163366299904, 1.9314511499687272 ], [ 4.011964583930759, 4.636709273370009, 5.558256680031273 ], [ 5.503092207624652, 2.014783291376364, 7.213396004846787 ], [ 6.612185351164508, 3.922406629934539, 3.6001047073898134 ], [ 1.457826592624653, 4.165842318623635, 0.27631182515321295 ], [ 2.5669197361645084, 2.25821898006546, 3.889603122610187 ], [ 0.5609401545270917, 5.546045260830079, 6.479775263630687 ], [ 2.5944582863651826, 3.3982228519148108, 4.942689578287109 ], [ 5.5829985011283725, 5.83693775010891, 6.345161522814288 ], [ 1.5377328861283726, 0.34368785989108996, 1.144546307185712 ], [ 3.2866385078078455, 2.5896991897830923, 2.612096138306856 ], [ 7.331904122807845, 3.5909264202169067, 4.8776116916931445 ], [ 4.606205769527092, 0.6345803491699211, 1.0099325663693128 ], [ 5.138494844904072, 4.339336649577116, 3.869362252189521 ], [ 6.639723901365183, 2.7824027580851887, 2.547018251712891 ], [ 1.0932292299040718, 1.8412889604228835, 3.6203455778104794 ], [ 6.948541905573652, 1.3324327704139678, 0.2009267190085461 ], [ 2.9032762905736518, 4.848192839586032, 7.288781110991454 ], [ 3.2479606714937703, 1.025737233110202, 4.6243217855203484 ], [ 7.293226286493771, 5.154888376889798, 2.8653860444796524 ], [ 4.9039326262829785, 3.2372304038144875, 6.407229925868175 ], [ 0.8586670112829782, 2.943395206185513, 1.0824779041318242 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -1.73990665, 0, 0 ], [ 0, -1.91973336, 0.2811075 ], [ 0, 0.28110755, 0.36168702 ] ]
-181.18925
null
[ [ 0.0043881, 0.00528759, 0.00847499 ], [ 0.0043881, -0.00528759, -0.00847499 ], [ 0.00084129, 0.00831459, 0.0186878 ], [ 0.00084129, -0.00831459, -0.0186878 ], [ -0.00804405, 0.00512575, 0.00657526 ], [ -0.00804405, -0.00512575, -0.00657526 ], [ 0.01869092, -0.00311415, -0.01853324 ], [ -0.01497403, -0.00244423, -0.02107243 ], [ 0.01869092, 0.00311415, 0.01853324 ], [ -0.01497403, 0.00244423, 0.02107243 ], [ -0.00213391, 0.00904086, 0.02036633 ], [ 0.01402286, -0.0254343, -0.04230002 ], [ -0.00936531, 0.02122063, 0.03128735 ], [ -0.00936531, -0.02122063, -0.03128735 ], [ -0.00107939, -0.00268224, 0.01401408 ], [ -0.00107939, 0.00268224, -0.01401408 ], [ -0.00213391, -0.00904086, -0.02036633 ], [ 0.00431328, -0.00464329, 0.00701806 ], [ 0.01402286, 0.0254343, 0.04230002 ], [ 0.00431328, 0.00464329, -0.00701806 ], [ -0.0046956, -0.00222052, 0.00791767 ], [ -0.0046956, 0.00222052, -0.00791767 ], [ 0.00302526, -0.00138572, -0.00130226 ], [ 0.00302526, 0.00138572, 0.00130226 ], [ -0.00498943, 0.00255269, -0.00062908 ], [ -0.00498943, -0.00255269, 0.00062908 ] ]
pbe
true
4
agm005266447-pbe-101
101
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.0894444, 0, 0 ], [ 0, 5.04207603, 0.10279481 ], [ 0, 1.13967881, 7.3922763 ] ]
agm005266447
[ [ 4.0974025225050115, 4.236708070744348, 2.1876318374140196 ], [ 0.052680322505012, 1.9450467692556508, 5.30743927258598 ], [ 2.9939877453450916, 1.7585130563332432, 0.9326053109387575 ], [ 7.038709945345092, 4.4232417836667555, 6.5624657990612425 ], [ 8.056117345171991, 1.5442722178879191, 1.932851812248314 ], [ 4.011395145171992, 4.63748262211208, 5.562219297751685 ], [ 5.5021791962980995, 2.015541941057019, 7.217970161286142 ], [ 6.611550554947516, 3.9224455938866107, 3.603084809092176 ], [ 1.4574569962980999, 4.166212898942981, 0.27710094871385804 ], [ 2.566828354947516, 2.259309246113389, 3.891986300907824 ], [ 0.561290710677308, 5.546971642656455, 6.485220287384958 ], [ 2.594252623091288, 3.398379521675068, 4.945499981518268 ], [ 5.582093361425708, 5.838402853276394, 6.350297946106371 ], [ 1.537371161425708, 0.34335198672360545, 1.1447731638936285 ], [ 3.2858455155415878, 2.5899228885902925, 2.614754933420543 ], [ 7.330567715541588, 3.5918319514097075, 4.8803161765794565 ], [ 4.606012910677308, 0.6347831973435438, 1.0098508226150418 ], [ 5.13780190299448, 4.33988931847547, 3.8723558506645093 ], [ 6.638974823091288, 2.783375318324932, 2.5495711284817317 ], [ 1.0930797029944799, 1.841865521524529, 3.62271525933549 ], [ 6.947554202912579, 1.3323674288451919, 0.2012533453365174 ], [ 2.90283200291258, 4.849387411154808, 7.2938177646634825 ], [ 3.247488363291216, 1.0264926263142087, 4.62716433258429 ], [ 7.292210563291215, 5.15526221368579, 2.86790677741571 ], [ 4.90328162933852, 3.23815852413243, 6.411509480125671 ], [ 0.8585594293385199, 2.9435963158675698, 1.0835616298743285 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -1.56804093, 0, 0 ], [ 0, -1.9341989, 0.17329848 ], [ 0, 0.1732983, 0.44215354 ] ]
-181.189414
null
[ [ 0.00656585, 0.00661567, 0.00951436 ], [ 0.00656585, -0.00661567, -0.00951436 ], [ 0.00065652, 0.01128678, 0.02247641 ], [ 0.00065652, -0.01128678, -0.02247641 ], [ -0.00954988, 0.00499329, 0.0085443 ], [ -0.00954988, -0.00499329, -0.0085443 ], [ 0.04216485, 0.01767309, -0.0376845 ], [ -0.04033903, 0.02392949, -0.04558507 ], [ 0.04216485, -0.01767309, 0.0376845 ], [ -0.04033903, -0.02392949, 0.04558507 ], [ -0.02673754, 0.0178753, -0.00785268 ], [ 0.01624847, -0.00999196, -0.03452293 ], [ -0.00840922, 0.00688389, 0.02403606 ], [ -0.00840922, -0.00688389, -0.02403606 ], [ 0.02025597, 0.00599531, -0.02027431 ], [ 0.02025597, -0.00599531, 0.02027431 ], [ -0.02673754, -0.0178753, 0.00785268 ], [ 0.00350961, -0.00551586, 0.00905438 ], [ 0.01624847, 0.00999196, 0.03452293 ], [ 0.00350961, 0.00551586, -0.00905438 ], [ -0.00238479, -0.00075973, 0.01118801 ], [ -0.00238479, 0.00075973, -0.01118801 ], [ 0.00572506, -0.00444727, -0.00089791 ], [ 0.00572506, 0.00444727, 0.00089791 ], [ -0.00770587, 0.00697029, -0.00297121 ], [ -0.00770587, -0.00697029, 0.00297121 ] ]
pbe
true
4
agm005266447-pbe-102
102
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.08663124, 0, 0 ], [ 0, 5.04059823, 0.10378994 ], [ 0, 1.14070877, 7.39693563 ] ]
agm005266447
[ [ 4.096072640477136, 4.236035451193417, 2.190026766646748 ], [ 0.05275702047713521, 1.9452715488065828, 5.310698803353252 ], [ 2.9929685611248065, 1.7584153637098479, 0.9340898720393626 ], [ 7.036284181124807, 4.422891636290151, 6.5666356979606375 ], [ 8.053099861830717, 1.5443288974653113, 1.9344929135974718 ], [ 4.009784241830716, 4.636978102534688, 5.566232656402528 ], [ 5.500929768881627, 2.0162265492622824, 7.222024892771225 ], [ 6.608697893667939, 3.9219671011601487, 3.6053087380231363 ], [ 1.4576141488816265, 4.165080450737717, 0.27870067722877423 ], [ 2.565382273667938, 2.2593398988398503, 3.895416831976863 ], [ 0.5609703369156116, 5.546833000541058, 6.490717902211139 ], [ 2.593802900893543, 3.3975228145484824, 4.947853511187161 ], [ 5.579841865976168, 5.838470398154597, 6.356130770535539 ], [ 1.5365262459761682, 0.34283660184540266, 1.1445947994644612 ], [ 3.284770767837211, 2.589606184659655, 2.617079053251084 ], [ 7.328086387837211, 3.5917008153403445, 4.883646516748916 ], [ 4.6042859569156125, 0.634473999458941, 1.010007667788861 ], [ 5.136081426509864, 4.339207406974463, 3.8756919437935196 ], [ 6.6371185208935435, 2.783784185451517, 2.5528720588128393 ], [ 1.0927658065098635, 1.8420995930255362, 3.62503362620648 ], [ 6.945040537453452, 1.33193176113675, 0.2018246782469702 ], [ 2.9017249174534516, 4.849375238863249, 7.298900891753029 ], [ 3.2464376289039265, 1.0269469556050463, 4.630129397994291 ], [ 7.289753248903927, 5.154360044394953, 2.8705961720057083 ], [ 4.901432618214533, 3.2384375368500287, 6.415948461127728 ], [ 0.8581169982145325, 2.942869463149971, 1.0847771088722715 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -0.59600802, 0, 0 ], [ 0, -0.49974792, 0.71330683 ], [ 0, 0.71330673, -0.09316851 ] ]
-181.189805
null
[ [ 0.00713632, 0.0072576, 0.01065045 ], [ 0.00713632, -0.0072576, -0.01065045 ], [ 0.00285505, 0.01157251, 0.02635789 ], [ 0.00285505, -0.01157251, -0.02635789 ], [ -0.00442066, 0.00585105, 0.00397505 ], [ -0.00442066, -0.00585105, -0.00397505 ], [ -0.00826287, 0.01654183, 0.02086062 ], [ 0.00476266, 0.02364413, 0.03483187 ], [ -0.00826287, -0.01654183, -0.02086062 ], [ 0.00476266, -0.02364413, -0.03483187 ], [ -0.00724903, 0.01072128, 0.01931412 ], [ 0.01118924, 0.02354017, -0.00230033 ], [ -0.00234717, -0.0230768, -0.00305044 ], [ -0.00234717, 0.0230768, 0.00305044 ], [ 0.00172499, -0.00441012, 0.01378156 ], [ 0.00172499, 0.00441012, -0.01378156 ], [ -0.00724903, -0.01072128, -0.01931412 ], [ -0.02582059, 0.00498519, 0.01075758 ], [ 0.01118924, -0.02354017, 0.00230033 ], [ -0.02582059, -0.00498519, -0.01075758 ], [ 0.02251964, 0.01150557, 0.01840745 ], [ 0.02251964, -0.01150557, -0.01840745 ], [ 0.00740203, -0.01400876, 0.00508225 ], [ 0.00740203, 0.01400876, -0.00508225 ], [ -0.00948961, 0.01720483, -0.01095762 ], [ -0.00948961, -0.01720483, 0.01095762 ] ]
pbe
true
4
agm005266447-pbe-103
103
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.08635892, 0, 0 ], [ 0, 5.04045517, 0.10388627 ], [ 0, 1.14080847, 7.39738666 ] ]
agm005266447
[ [ 4.095943922316071, 4.235970343552002, 2.19025858531871 ], [ 0.0527644623160704, 1.9452932964479976, 5.311014344681289 ], [ 2.992869874365117, 1.7584059403502317, 0.9342336168469224 ], [ 7.036049334365117, 4.422857699649769, 6.567039313153077 ], [ 8.052807808205028, 1.5443343772818672, 1.934651789501354 ], [ 4.009628348205028, 4.636929262718133, 5.566621140498645 ], [ 5.500808809793165, 2.0162927919662588, 7.222417385440839 ], [ 6.608421731005915, 3.9219207786929635, 3.6055240128039134 ], [ 1.4576293497931652, 4.164970848033741, 0.2788555445591613 ], [ 2.5652422710059146, 2.2593428613070374, 3.8957489171960864 ], [ 0.5609393165143228, 5.546819581089113, 6.491250135069517 ], [ 2.5937593817824185, 3.3974398745929366, 4.948081344000936 ], [ 5.579623962551551, 5.838476903319062, 6.35669538794929 ], [ 1.5364445025515507, 0.34278673668093806, 1.1445775420507096 ], [ 3.2846667020384417, 2.589575525530864, 2.6173040477692093 ], [ 7.327846162038442, 3.591688114469137, 4.883968882230791 ], [ 4.604118776514323, 0.6344440589108883, 1.0100227949304827 ], [ 5.135914936344555, 4.339141372427958, 3.876014825277059 ], [ 6.6369388417824196, 2.7838237654070634, 2.553191585999064 ], [ 1.0927354763445547, 1.8421222675720421, 3.62525810472294 ], [ 6.944797199860594, 1.33188956654752, 0.2018799656611509 ], [ 2.901617739860593, 4.849374073452481, 7.299392964338848 ], [ 3.2463359052130363, 1.0269909276339133, 4.630416394399051 ], [ 7.2895153652130364, 5.154272712366087, 2.8708565356009488 ], [ 4.901253652301507, 3.2384645521437925, 6.416378149775351 ], [ 0.8580741923015068, 2.9427990878562076, 1.0848947802246485 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -0.498249, 0, 0 ], [ 0, -0.35426105, 0.76383474 ], [ 0, 0.76383485, -0.14804379 ] ]
-181.189808
null
[ [ 0.00716941, 0.00732255, 0.01077489 ], [ 0.00716941, -0.00732255, -0.01077489 ], [ 0.0030548, 0.01156755, 0.02673415 ], [ 0.0030548, -0.01156755, -0.02673415 ], [ -0.00369822, 0.00584353, 0.00319255 ], [ -0.00369822, -0.00584353, -0.00319255 ], [ -0.01312859, 0.01646505, 0.02646051 ], [ 0.00908551, 0.02364413, 0.04255091 ], [ -0.01312859, -0.01646505, -0.02646051 ], [ 0.00908551, -0.02364413, -0.04255091 ], [ -0.00534701, 0.01008235, 0.02198215 ], [ 0.01060079, 0.02688757, 0.00089613 ], [ -0.00179713, -0.02600391, -0.00571875 ], [ -0.00179713, 0.02600391, 0.00571875 ], [ -0.00007608, -0.00529225, 0.01721617 ], [ -0.00007608, 0.00529225, -0.01721617 ], [ -0.00534701, -0.01008235, -0.02198215 ], [ -0.0288653, 0.00588927, 0.01090188 ], [ 0.01060079, -0.02688757, -0.00089613 ], [ -0.0288653, -0.00588927, -0.01090188 ], [ 0.02512594, 0.01251513, 0.01906295 ], [ 0.02512594, -0.01251513, -0.01906295 ], [ 0.00768694, -0.01495864, 0.00562132 ], [ 0.00768694, 0.01495864, -0.00562132 ], [ -0.00981107, 0.01815523, -0.01172609 ], [ -0.00981107, -0.01815523, 0.01172609 ] ]
pbe
true
4
agm005266447-pbe-104
104
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.0837874, 0, 0 ], [ 0, 5.03916356, 0.105144 ], [ 0, 1.14229464, 7.40065452 ] ]
agm005266447
[ [ 4.094851965501259, 4.23566605176306, 2.192590112512368 ], [ 0.052958265501258005, 1.9457921482369405, 5.313208407487632 ], [ 2.991994754633586, 1.7585814796648427, 0.9359935493947331 ], [ 7.033888454633586, 4.422876720335157, 6.569804970605266 ], [ 8.05002020746209, 1.544625786735413, 1.936006832854758 ], [ 4.00812650746209, 4.636832413264587, 5.569791687145242 ], [ 5.499267024052153, 2.0177996663361966, 7.225886584219407 ], [ 6.606110107973143, 3.9222521195952047, 3.608305371165518 ], [ 1.457373324052152, 4.163658533663804, 0.27991193578059237 ], [ 2.564216407973142, 2.2592060804047955, 3.897493148834481 ], [ 0.560565467818434, 5.547355731682225, 6.496055976713172 ], [ 2.5934667034634282, 3.3977429982552234, 4.9500349329782205 ], [ 5.577594073685712, 5.838407858343527, 6.361219450230414 ], [ 1.5357003736857122, 0.34305034165647363, 1.144579069769586 ], [ 3.283668717138576, 2.5894021546617947, 2.6195237648760825 ], [ 7.325562417138576, 3.592056045338206, 4.886274755123917 ], [ 4.602459167818434, 0.6341024683177756, 1.009742543286828 ], [ 5.133751705541862, 4.338982416701532, 3.8789908767659353 ], [ 6.635360403463428, 2.783715201744777, 2.555763587021779 ], [ 1.091858005541862, 1.842475783298469, 3.6268076432340646 ], [ 6.943021833985147, 1.3317858211904434, 0.2028083481144588 ], [ 2.901128133985146, 4.849672378809557, 7.302990171885541 ], [ 3.2455128364212062, 1.0274715878373555, 4.6326431683878 ], [ 7.287406536421207, 5.153986612162644, 2.8731553516121986 ], [ 4.899397131002556, 3.23956691040905, 6.419507520951576 ], [ 0.857503431002556, 2.94189128959095, 1.086290999048424 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 0.25907506, 0, 0 ], [ 0, 0.20444534, 0.05885279 ], [ 0, 0.0588528, 0.19284168 ] ]
-181.190133
null
[ [ 0.00716857, 0.00698219, 0.01202637 ], [ 0.00716857, -0.00698219, -0.01202637 ], [ 0.00273581, 0.01121004, 0.02681672 ], [ 0.00273581, -0.01121004, -0.02681672 ], [ -0.00146372, 0.00680536, -0.00098651 ], [ -0.00146372, -0.00680536, 0.00098651 ], [ -0.01057469, -0.00147304, 0.01155438 ], [ 0.0096685, 0.00513204, 0.01705473 ], [ -0.01057469, 0.00147304, -0.01155438 ], [ 0.0096685, -0.00513204, -0.01705473 ], [ -0.01212859, 0.00748816, 0.00884388 ], [ -0.00093758, 0.01212305, -0.00792638 ], [ 0.00515859, -0.01359038, -0.00171676 ], [ 0.00515859, 0.01359038, 0.00171676 ], [ 0.00971084, -0.00378429, -0.00321651 ], [ 0.00971084, 0.00378429, 0.00321651 ], [ -0.01212859, -0.00748816, -0.00884388 ], [ -0.02739162, 0.00824686, 0.00478642 ], [ -0.00093758, -0.01212305, 0.00792638 ], [ -0.02739162, -0.00824686, -0.00478642 ], [ 0.0177575, 0.01497768, 0.01272285 ], [ 0.0177575, -0.01497768, -0.01272285 ], [ -0.00234973, -0.00153905, -0.00220433 ], [ -0.00234973, 0.00153905, 0.00220433 ], [ 0.00264612, 0.00462383, -0.00431127 ], [ 0.00264612, -0.00462383, 0.00431127 ] ]
pbe
true
4
agm005266447-pbe-105
105
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.08214802, 0, 0 ], [ 0, 5.03834013, 0.10594582 ], [ 0, 1.14324209, 7.40273783 ] ]
agm005266447
[ [ 4.0941557801227955, 4.2354720656770315, 2.194076609604483 ], [ 0.053081770122795593, 1.9461101543229675, 5.314607040395518 ], [ 2.991436798744219, 1.75869343229855, 0.937115655706913 ], [ 7.0325108087442185, 4.42288878770145, 6.571567994293088 ], [ 8.048243166591659, 1.5448115451617428, 1.9368707441378459 ], [ 4.00716915659166, 4.6367706748382576, 5.571812905862155 ], [ 5.498284085683797, 2.0187603075594516, 7.22809825400181 ], [ 6.604636396704764, 3.9224633349580023, 3.6100786290570688 ], [ 1.4572100756837971, 4.162821912440549, 0.2805853959981902 ], [ 2.563562386704765, 2.259118885041997, 3.8986050209429317 ], [ 0.5603271592570997, 5.547697502131492, 6.499120001639631 ], [ 2.593280040866904, 3.3979361161879833, 4.951280291028663 ], [ 5.5763000098416144, 5.838363837447382, 6.364103667884818 ], [ 1.5352259998416142, 0.34321838255261894, 1.1445799821151827 ], [ 3.2830324555148382, 2.589291638643006, 2.6209388599306553 ], [ 7.324106465514838, 3.592290581356994, 4.887744790069346 ], [ 4.6014011692571, 0.6338847178685071, 1.0095636483603696 ], [ 5.132372673761876, 4.33888111897125, 3.8808882283539554 ], [ 6.634354050866904, 2.783646103812017, 2.557403358971337 ], [ 1.0912986637618762, 1.842701101028749, 3.6277954216460455 ], [ 6.941889966534409, 1.3317196932794428, 0.203400256942151 ], [ 2.900815956534409, 4.849862526720557, 7.30528339305785 ], [ 3.2449880067121337, 1.0277779997096552, 4.634062682605232 ], [ 7.286062016712134, 5.153804220290345, 2.8746209673947685 ], [ 4.898213610110189, 3.2402695828923327, 6.421502505610575 ], [ 0.8571396001101887, 2.941312637107668, 1.0871811443894261 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 0.74375159, 0, 0 ], [ 0, 0.55905756, -0.40535172 ], [ 0, -0.40535161, 0.37021265 ] ]
-181.190202
null
[ [ 0.00676785, 0.00636571, 0.01200791 ], [ 0.00676785, -0.00636571, -0.01200791 ], [ 0.00238446, 0.01019587, 0.02511478 ], [ 0.00238446, -0.01019587, -0.02511478 ], [ 0.00049394, 0.00695027, -0.00419159 ], [ 0.00049394, -0.00695027, 0.00419159 ], [ -0.00884919, -0.01291623, 0.00210089 ], [ 0.01000724, -0.00662982, 0.00094353 ], [ -0.00884919, 0.01291623, -0.00210089 ], [ 0.01000724, 0.00662982, -0.00094353 ], [ -0.01635375, 0.00592761, 0.000989 ], [ -0.0082132, 0.00241786, -0.01428732 ], [ 0.00962621, -0.00546139, 0.00139162 ], [ 0.00962621, 0.00546139, -0.00139162 ], [ 0.01585307, -0.00298233, -0.01577163 ], [ 0.01585307, 0.00298233, 0.01577163 ], [ -0.01635375, -0.00592761, -0.000989 ], [ -0.02658495, 0.00984258, 0.00097157 ], [ -0.0082132, -0.00241786, 0.01428732 ], [ -0.02658495, -0.00984258, -0.00097157 ], [ 0.01306016, 0.01671943, 0.00870843 ], [ 0.01306016, -0.01671943, -0.00870843 ], [ -0.00866404, 0.00668797, -0.00738228 ], [ -0.00866404, -0.00668797, 0.00738228 ], [ 0.0104722, -0.00373326, 0.00027162 ], [ 0.0104722, 0.00373326, -0.00027162 ] ]
pbe
true
4
agm005266447-pbe-106
106
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.08212856, 0, 0 ], [ 0, 5.0382906, 0.10610806 ], [ 0, 1.14343476, 7.40437652 ] ]
agm005266447
[ [ 4.094380142399465, 4.2357383240438, 2.195104997568562 ], [ 0.0533158623994656, 1.9459870359561995, 5.3153795824314365 ], [ 2.9915130844232656, 1.7590896818346744, 0.9383053616632684 ], [ 7.032577364423265, 4.422635678165326, 6.572179218336731 ], [ 8.048146927184337, 1.545094144988622, 1.9373169432587303 ], [ 4.007082647184338, 4.636631215011378, 5.57316763674127 ], [ 5.498151958937598, 2.0187610278987744, 7.229794240007244 ], [ 6.604764517752359, 3.9225614179282737, 3.6111381573617276 ], [ 1.4570876789375984, 4.162964332101225, 0.280690339992755 ], [ 2.563700237752359, 2.259163942071726, 3.899346422638272 ], [ 0.5598812930441543, 5.548115596541251, 6.501032927547129 ], [ 2.593295052828225, 3.3980909980228273, 4.951790567828074 ], [ 5.576404501617373, 5.838325871858393, 6.365889023387582 ], [ 1.5353402216173735, 0.34339948814160715, 1.144595556612418 ], [ 3.2833998847592354, 2.589220099067317, 2.6214317749986313 ], [ 7.3244641647592355, 3.5925052609326826, 4.889052805001368 ], [ 4.600945573044154, 0.6336097634587488, 1.00945165245287 ], [ 5.131555416976129, 4.339180441742498, 3.882012707422976 ], [ 6.6343593328282235, 2.783634361977173, 2.5586940121719257 ], [ 1.0904911369761288, 1.8425449182575016, 3.6284718725770237 ], [ 6.942335630595014, 1.3321640894344464, 0.2038813155066048 ], [ 2.901271350595015, 4.8495612705655535, 7.306603264493395 ], [ 3.244866073853439, 1.0279034079357925, 4.634971673730519 ], [ 7.285930353853439, 5.153821952064208, 2.8755129062694804 ], [ 4.898322320847075, 3.2404846356286705, 6.422896188542975 ], [ 0.857258040847076, 2.9412407243713297, 1.0875883914570241 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -0.29554956, 0, 0 ], [ 0, 0.33967017, -0.31304846 ], [ 0, -0.31304846, 0.00891853 ] ]
-181.190369
null
[ [ 0.00602912, 0.00579215, 0.01199864 ], [ 0.00602912, -0.00579215, -0.01199864 ], [ 0.00166507, 0.00889733, 0.02136708 ], [ 0.00166507, -0.00889733, -0.02136708 ], [ -0.00072037, 0.00349695, -0.00141357 ], [ -0.00072037, -0.00349695, 0.00141357 ], [ 0.00879547, -0.00498841, 0.00465236 ], [ -0.00853548, 0.0009261, 0.01412119 ], [ 0.00879547, 0.00498841, -0.00465236 ], [ -0.00853548, -0.0009261, -0.01412119 ], [ -0.01057984, 0.00287683, 0.00449604 ], [ -0.00966827, 0.00302287, -0.01279668 ], [ 0.01023153, -0.00028322, 0.00367847 ], [ 0.01023153, 0.00028322, -0.00367847 ], [ 0.00595229, -0.00598351, -0.00222152 ], [ 0.00595229, 0.00598351, 0.00222152 ], [ -0.01057984, -0.00287683, -0.00449604 ], [ 0.00847545, 0.00006059, -0.00261442 ], [ -0.00966827, -0.00302287, 0.01279668 ], [ 0.00847545, -0.00006059, 0.00261442 ], [ -0.01594039, 0.0076853, 0.00082685 ], [ -0.01594039, -0.0076853, -0.00082685 ], [ -0.00989543, 0.00686081, -0.00641193 ], [ -0.00989543, -0.00686081, 0.00641193 ], [ 0.01419086, -0.01155621, 0.00384661 ], [ 0.01419086, 0.01155621, -0.00384661 ] ]
pbe
true
4
agm005266447-pbe-107
107
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.08211774, 0, 0 ], [ 0, 5.03826305, 0.10619829 ], [ 0, 1.14354191, 7.40528791 ] ]
agm005266447
[ [ 4.094504944760491, 4.235886422402602, 2.195676998933116 ], [ 0.053446074760491194, 1.9459185375973982, 5.315809201066884 ], [ 2.991555551693477, 1.7593100151683259, 0.938967045959632 ], [ 7.032614421693477, 4.422494944831675, 6.572519154040368 ], [ 8.048093479095792, 1.545251304424616, 1.9375650965060522 ], [ 4.007034609095793, 4.636553655575384, 5.573921103493947 ], [ 5.4980784057080925, 2.018761412985886, 7.230737475095624 ], [ 6.604835769369484, 3.922615983357837, 3.6117273716581524 ], [ 1.4570195357080928, 4.163043547014114, 0.2807487249043762 ], [ 2.563776899369485, 2.259188976642163, 3.899758828341848 ], [ 0.5596333923390934, 5.548348147616772, 6.502096937092298 ], [ 2.593303461751382, 3.398177166559309, 4.952074248886464 ], [ 5.57646258214595, 5.838304732982547, 6.366882027757841 ], [ 1.5354037121459507, 0.3435002270174531, 1.1446041722421596 ], [ 3.2836043310095704, 2.5891802844210785, 2.6217059600318975 ], [ 7.32466320100957, 3.5926246755789215, 4.889780239968102 ], [ 4.600692262339093, 0.6334568123832283, 1.0093892629077026 ], [ 5.131100959393878, 4.3393468870072125, 3.882638103072732 ], [ 6.634362331751381, 2.7836277934406914, 2.559411951113536 ], [ 1.0900420893938787, 1.8424580729927875, 3.628848096927268 ], [ 6.942583509486393, 1.3324112560648393, 0.2041488587064267 ], [ 2.901524639486392, 4.849393703935161, 7.307337341293573 ], [ 3.2447982851444928, 1.0279731216093568, 4.6354772474493435 ], [ 7.285857155144492, 5.153831838390643, 2.8760089525506567 ], [ 4.8983827639435935, 3.2406042023331025, 6.423671376639346 ], [ 0.8573238939435935, 2.941200757666898, 1.0878148233606548 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -0.87142273, 0, 0 ], [ 0, 0.21778198, -0.26578739 ], [ 0, -0.26578728, -0.19843139 ] ]
-181.190398
null
[ [ 0.00570807, 0.00553119, 0.01212969 ], [ 0.00570807, -0.00553119, -0.01212969 ], [ 0.00129804, 0.0083119, 0.01956483 ], [ 0.00129804, -0.0083119, -0.01956483 ], [ -0.00127099, 0.00165645, -0.00000224 ], [ -0.00127099, -0.00165645, 0.00000224 ], [ 0.01849904, -0.00050077, 0.00602575 ], [ -0.0187469, 0.00509256, 0.0214082 ], [ 0.01849904, 0.00050077, -0.00602575 ], [ -0.0187469, -0.00509256, -0.0214082 ], [ -0.0077352, 0.00141009, 0.00668883 ], [ -0.01045601, 0.00340187, -0.01239245 ], [ 0.01059045, 0.00241397, 0.00522719 ], [ 0.01059045, -0.00241397, -0.00522719 ], [ 0.00067004, -0.00753714, 0.00529885 ], [ 0.00067004, 0.00753714, -0.00529885 ], [ -0.0077352, -0.00141009, -0.00668883 ], [ 0.02717988, -0.00528036, -0.00433965 ], [ -0.01045601, -0.00340187, 0.01239245 ], [ 0.02717988, 0.00528036, 0.00433965 ], [ -0.03145164, 0.00287434, -0.00329613 ], [ -0.03145164, -0.00287434, 0.00329613 ], [ -0.01051992, 0.00680971, -0.0060369 ], [ -0.01051992, -0.00680971, 0.0060369 ], [ 0.01623514, -0.01577182, 0.00594942 ], [ 0.01623514, 0.01577182, -0.00594942 ] ]
pbe
true
4
agm005266447-pbe-108
108
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.0814465, 0, 0 ], [ 0, 5.03833114, 0.10617556 ], [ 0, 1.14350522, 7.4061775 ] ]
agm005266447
[ [ 4.094389711772551, 4.236161283699833, 2.1963505679118818 ], [ 0.05366646177255, 1.9456750763001682, 5.316002492088118 ], [ 2.99137764658491, 1.7596854212340243, 0.9399257310139274 ], [ 7.03210089658491, 4.422150938765976, 6.572427328986073 ], [ 8.047359120291931, 1.545438074813985, 1.9377780642602946 ], [ 4.00663587029193, 4.636398285186015, 5.574574995739705 ], [ 5.49778494101301, 2.0186167708706364, 7.231723549496034 ], [ 6.604136987224635, 3.9227352389609873, 3.6125227394131425 ], [ 1.45706169101301, 4.163219589129364, 0.2806295105039664 ], [ 2.5634137372246353, 2.259101121039013, 3.899830320586858 ], [ 0.559200458620935, 5.548587025823974, 6.503157118708705 ], [ 2.5929662132292304, 3.398267134628232, 4.952065897020153 ], [ 5.576212550789235, 5.838272236634208, 6.367836375151951 ], [ 1.5354893007892352, 0.3435641233657916, 1.1445166848480484 ], [ 3.283581982707405, 2.589024129113669, 2.621979084447946 ], [ 7.324305232707405, 3.5928122308863313, 4.890373975552054 ], [ 4.599923708620935, 0.6332493341760266, 1.0091959412912954 ], [ 5.13050889658788, 4.3394630552863775, 3.883126155343181 ], [ 6.63368946322923, 2.7835692253717683, 2.560287162979847 ], [ 1.08978564658788, 1.8423733047136222, 3.629226904656819 ], [ 6.941897002968885, 1.3327567375650282, 0.2043790705206954 ], [ 2.901173752968885, 4.849079622434972, 7.307973989479304 ], [ 3.24431900221734, 1.0280478922744825, 4.635872937405284 ], [ 7.28504225221734, 5.153788467725518, 2.8764801225947156 ], [ 4.89826396381302, 3.240444555121984, 6.424446329961501 ], [ 0.85754071381302, 2.941391804878016, 1.0879067300384988 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -0.76330313, 0, 0 ], [ 0, 0.04684556, -0.13365721 ], [ 0, -0.13365721, -0.2394026 ] ]
-181.190534
null
[ [ 0.00489743, 0.00522151, 0.01149784 ], [ 0.00489743, -0.00522151, -0.01149784 ], [ 0.00081776, 0.00671852, 0.01595246 ], [ 0.00081776, -0.00671852, -0.01595246 ], [ -0.00310656, -0.00014131, 0.00093038 ], [ -0.00310656, 0.00014131, -0.00093038 ], [ 0.00897047, -0.00130394, 0.00522286 ], [ -0.01106445, 0.00331418, 0.01271786 ], [ 0.00897047, 0.00130394, -0.00522286 ], [ -0.01106445, -0.00331418, -0.01271786 ], [ -0.00404967, 0.00065578, 0.0076053 ], [ -0.00968746, 0.00383963, -0.01161704 ], [ 0.01015125, 0.0013524, 0.00370363 ], [ 0.01015125, -0.0013524, -0.00370363 ], [ -0.00020963, -0.0058505, 0.00538795 ], [ -0.00020963, 0.0058505, -0.00538795 ], [ -0.00404967, -0.00065578, -0.0076053 ], [ 0.02406219, -0.00481023, 0.00019302 ], [ -0.00968746, -0.00383963, 0.01161704 ], [ 0.02406219, 0.00481023, -0.00019302 ], [ -0.02568042, 0.00262517, -0.0000528 ], [ -0.02568042, -0.00262517, 0.0000528 ], [ -0.00686337, 0.00118149, -0.00241403 ], [ -0.00686337, -0.00118149, 0.00241403 ], [ 0.01176246, -0.01107118, 0.00187329 ], [ 0.01176246, 0.01107118, -0.00187329 ] ]
pbe
true
4
agm005266447-pbe-109
109
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.30032866, 0, 0 ], [ 0, 5.03847075, 0.01984743 ], [ 0, 1.02507662, 7.02880608 ] ]
agm005266447
[ [ 4.258378868865311, 4.0371196460521945, 1.8269204660053917 ], [ 0.1082145388653108, 2.0264277239478057, 5.221733043994608 ], [ 2.918548780923064, 1.4621838792112685, 0.872086169081992 ], [ 7.068713110923063, 4.6013634907887315, 6.176567340918008 ], [ 8.284279393512882, 1.490753946977593, 1.841461394772173 ], [ 4.134115063512883, 4.572793423022407, 5.207192115227827 ], [ 5.628743624858959, 2.018244406724769, 6.859597570074256 ], [ 6.802443713714032, 3.9456343392281124, 3.371046261136409 ], [ 1.4785792948589598, 4.045302963275231, 0.1890559399257432 ], [ 2.6522793837140326, 2.117913030771888, 3.6776072488635907 ], [ 0.5833598807309365, 5.424873434228499, 6.060654787362277 ], [ 2.911025944048646, 3.055118111521722, 4.887203918536038 ], [ 5.542201078118336, 0.9665098095995942, 5.7073949906741035 ], [ 1.3920367481183358, 5.097037560400406, 1.341258519325896 ], [ 3.308034316001056, 2.54248520357301, 2.3989546786079936 ], [ 7.4581986460010565, 3.52106216642699, 4.649698831392006 ], [ 4.733524210730936, 0.6386739357715019, 0.9879987226377228 ], [ 5.269824382084564, 4.109715247208302, 3.5818092500049867 ], [ 7.061190274048646, 3.008429258478279, 2.161449591463962 ], [ 1.1196600520845634, 1.9538321227916984, 3.4668442599950127 ], [ 7.141592901672894, 1.0921799116096562, 0.21435156794228308 ], [ 2.9914285716728948, 4.971367458390344, 6.834301942057716 ], [ 3.1992286277285804, 0.7025228745118406, 4.129473717403654 ], [ 7.34939295772858, 5.361024495488159, 2.9191797925963465 ], [ 5.224837015763796, 3.4618273339612307, 6.339738716867551 ], [ 1.0746726857637967, 2.60172003603877, 0.7089147931324493 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -0.95529314, 0, 0 ], [ 0, 5.10074437, 3.01473505 ], [ 0, 3.01473491, 6.35298542 ] ]
-180.972824
null
[ [ 0.0440677, 0.05224932, 0.01168684 ], [ 0.0440677, -0.05224932, -0.01168684 ], [ 0.04372512, -0.01111991, -0.01074134 ], [ 0.04372512, 0.01111991, 0.01074134 ], [ -0.10300782, 0.0105746, 0.00275313 ], [ -0.10300782, -0.0105746, -0.00275313 ], [ 0.0231455, 0.15550476, 0.16753362 ], [ -0.11085508, 0.10517407, 0.09361512 ], [ 0.0231455, -0.15550476, -0.16753362 ], [ -0.11085508, -0.10517407, -0.09361512 ], [ -0.07240324, -0.04783304, -0.03653922 ], [ -0.05201576, 0.12163697, 0.06777613 ], [ 0.06309792, -0.06837064, -0.10947954 ], [ 0.06309792, 0.06837064, 0.10947954 ], [ 0.06090985, 0.0288989, -0.05131468 ], [ 0.06090985, -0.0288989, 0.05131468 ], [ -0.07240324, 0.04783304, 0.03653922 ], [ 0.02959602, 0.04830612, -0.0128547 ], [ -0.05201576, -0.12163697, -0.06777613 ], [ 0.02959602, -0.04830612, 0.0128547 ], [ -0.08151894, 0.02720378, -0.0426206 ], [ -0.08151894, -0.02720378, 0.0426206 ], [ 0.04423469, -0.06509726, 0.1077405 ], [ 0.04423469, 0.06509726, -0.1077405 ], [ 0.11102403, -0.19430954, -0.01839934 ], [ 0.11102403, 0.19430954, 0.01839934 ] ]
pbe
true
4
agm005266447-pbe-11
11
0
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.07989085, 0, 0 ], [ 0, 5.03848896, 0.1061229 ], [ 0, 1.14342017, 7.40823919 ] ]
agm005266447
[ [ 4.094122466730695, 4.236798315198791, 2.19791184977121 ], [ 0.0541770417306945, 1.9451108148012086, 5.31645024022879 ], [ 2.9909652731111747, 1.7605553118457444, 0.9421480716548549 ], [ 7.030910698111174, 4.421353818154255, 6.572214018345145 ], [ 8.045657241256544, 1.5458708992276342, 1.938271580372016 ], [ 4.005711816256544, 4.636038230772366, 5.576090509627984 ], [ 5.497104856457858, 2.018281559557046, 7.234008924716688 ], [ 6.602517551608155, 3.923011731831756, 3.614366345888598 ], [ 1.4571594314578575, 4.163627570442953, 0.2803531652833111 ], [ 2.562572126608155, 2.2588973981682443, 3.8999957441114015 ], [ 0.5581974009973545, 5.549140697517884, 6.50561440205684 ], [ 2.5921848457744963, 3.398475685236326, 4.952046161679285 ], [ 5.575633073232282, 5.838196997442656, 6.370048309512506 ], [ 1.5356876482322819, 0.3437121325573432, 1.1443137804874939 ], [ 3.2835300408988246, 2.588662136276658, 2.622612121533794 ], [ 7.323475465898825, 3.593246993723341, 4.891749968466206 ], [ 4.598142825997354, 0.6327684324821157, 1.0087476879431594 ], [ 5.129136850480929, 4.339732230853151, 3.8842572961275237 ], [ 6.632130270774496, 2.783433444763674, 2.5623159283207144 ], [ 1.089191425480929, 1.8421768991468483, 3.630104793872476 ], [ 6.940305872477798, 1.333557417265084, 0.2049125976237601 ], [ 2.9003604474777975, 4.848351712734916, 7.309449492376239 ], [ 3.243208234399893, 1.0282210632107456, 4.636789772225191 ], [ 7.283153659399893, 5.153688066789255, 2.8775723177748085 ], [ 4.897988464228848, 3.2400746257304536, 6.426242535742684 ], [ 0.8580430392288481, 2.941834504269546, 1.0881195542573152 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -0.51435604, 0, 0 ], [ 0, -0.34675818, 0.17179152 ], [ 0, 0.17179141, -0.33363053 ] ]
-181.190713
null
[ [ 0.00295897, 0.00435612, 0.00974509 ], [ 0.00295897, -0.00435612, -0.00974509 ], [ -0.00035445, 0.00276057, 0.0069562 ], [ -0.00035445, -0.00276057, -0.0069562 ], [ -0.00751416, -0.00463674, 0.00318543 ], [ -0.00751416, 0.00463674, -0.00318543 ], [ -0.01314635, -0.00332968, 0.00339729 ], [ 0.00691378, -0.00095928, -0.00750033 ], [ -0.01314635, 0.00332968, -0.00339729 ], [ 0.00691378, 0.00095928, 0.00750033 ], [ 0.00410925, -0.00072603, 0.01038836 ], [ -0.00797389, 0.00497526, -0.01042171 ], [ 0.00937598, -0.0012973, 0.00071812 ], [ 0.00937598, 0.0012973, -0.00071812 ], [ -0.00187058, -0.00203152, 0.00569628 ], [ -0.00187058, 0.00203152, -0.00569628 ], [ 0.00410925, 0.00072603, -0.01038836 ], [ 0.01645112, -0.0036456, 0.01084852 ], [ -0.00797389, -0.00497526, 0.01042171 ], [ 0.01645112, 0.0036456, -0.01084852 ], [ -0.01214845, 0.00234242, 0.00766684 ], [ -0.01214845, -0.00234242, -0.00766684 ], [ 0.0014285, -0.01181912, 0.00571848 ], [ 0.0014285, 0.01181912, -0.00571848 ], [ 0.00177028, -0.00026065, -0.00735809 ], [ 0.00177028, 0.00026065, 0.00735809 ] ]
pbe
true
4
agm005266447-pbe-110
110
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.07925889, 0, 0 ], [ 0, 5.03855307, 0.1061015 ], [ 0, 1.14338562, 7.40907672 ] ]
agm005266447
[ [ 4.09401384512179, 4.237057080682077, 2.1985461570582254 ], [ 0.0543844001217904, 1.9448816093179226, 5.316632062941775 ], [ 2.9907978302697584, 1.7609087393956695, 0.9430509586958238 ], [ 7.0304272752697585, 4.42102995060433, 6.572127261304176 ], [ 8.044965910093273, 1.546046756384412, 1.938472090705873 ], [ 4.005336465093273, 4.6358919336155875, 5.576706129294127 ], [ 5.496828493006714, 2.018145429127574, 7.234937332432359 ], [ 6.6018596749535625, 3.9231240217534866, 3.6151152981579924 ], [ 1.4571990480067143, 4.163793260872426, 0.2802408875676406 ], [ 2.5622302299535633, 2.2588146682465133, 3.9000629218420078 ], [ 0.5577899331582886, 5.54936561769106, 6.506612707062384 ], [ 2.59186737533975, 3.3985604394663156, 4.952038094812778 ], [ 5.575397669860187, 5.838166396755219, 6.370946944826285 ], [ 1.5357682248601865, 0.3437722932447813, 1.1442312751737145 ], [ 3.2835089758915137, 2.5885150729977537, 2.6228693213875425 ], [ 7.323138420891514, 3.593423617002246, 4.892308898612456 ], [ 4.597419378158289, 0.6325730723089404, 1.0085655129376156 ], [ 5.128579508467015, 4.339841581822185, 3.8847167959805087 ], [ 6.63149682033975, 2.783378250533685, 2.5631401251872217 ], [ 1.0889500634670148, 1.842097108177815, 3.6304614240194915 ], [ 6.93965954858863, 1.3338826957174836, 0.2051293254145028 ], [ 2.9000301035886307, 4.848055994282516, 7.310048894585497 ], [ 3.2427570324651755, 1.0282914383646915, 4.637162139254139 ], [ 7.2823864774651765, 5.1536472516353085, 2.8780160807458604 ], [ 4.897876513240831, 3.2399243023905724, 6.4269722217015195 ], [ 0.8582470682408315, 2.942014387609428, 1.0882059982984804 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ -0.41497094, 0, 0 ], [ 0, -0.50903585, 0.29576926 ], [ 0, 0.29576925, -0.37321648 ] ]
-181.190731
null
[ [ 0.0021716, 0.00404823, 0.00905739 ], [ 0.0021716, -0.00404823, -0.00905739 ], [ -0.00083676, 0.00116282, 0.00329377 ], [ -0.00083676, -0.00116282, -0.00329377 ], [ -0.00930501, -0.00620357, 0.00415635 ], [ -0.00930501, 0.00620357, -0.00415635 ], [ -0.02217582, -0.00411133, 0.00261302 ], [ 0.0142597, -0.00265313, -0.01577037 ], [ -0.02217582, 0.00411133, -0.00261302 ], [ 0.0142597, 0.00265313, 0.01577037 ], [ 0.00748728, -0.00140927, 0.01133348 ], [ -0.00722238, 0.00530143, -0.00983996 ], [ 0.00907292, -0.00231946, -0.0005972 ], [ 0.00907292, 0.00231946, 0.0005972 ], [ -0.00259496, -0.0004803, 0.00584146 ], [ -0.00259496, 0.0004803, -0.00584146 ], [ 0.00748728, 0.00140927, -0.01133348 ], [ 0.01344072, -0.00310434, 0.0151309 ], [ -0.00722238, -0.00530143, 0.00983996 ], [ 0.01344072, 0.00310434, -0.0151309 ], [ -0.00675382, 0.00234214, 0.01085265 ], [ -0.00675382, -0.00234214, -0.01085265 ], [ 0.00473805, -0.01700807, 0.00903321 ], [ 0.00473805, 0.01700807, -0.00903321 ], [ -0.00228151, 0.00405586, -0.01124406 ], [ -0.00228151, -0.00405586, 0.01124406 ] ]
pbe
true
4
agm005266447-pbe-111
111
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.07804531, 0, 0 ], [ 0, 5.03823217, 0.10630209 ], [ 0, 1.14359624, 7.40962424 ] ]
agm005266447
[ [ 4.093678386445648, 4.237195868246016, 2.1995054576721067 ], [ 0.0546557314456476, 1.944632541753983, 5.316420872327893 ], [ 2.990403757604949, 1.7612273133894534, 0.9441417353058069 ], [ 7.02942641260495, 4.420601096610547, 6.571784594694193 ], [ 8.043489936357867, 1.546074500989755, 1.9387408296600097 ], [ 4.004467281357866, 4.635753909010245, 5.57718550033999 ], [ 5.49569722567164, 2.0180793839557394, 7.23569085541581 ], [ 6.601017619487096, 3.923047530404215, 3.6155732599502137 ], [ 1.4566745706716404, 4.16374902604426, 0.28023547458419 ], [ 2.5619949644870963, 2.258780879595785, 3.900353070049787 ], [ 0.5574659068431, 5.549443946618133, 6.507833214227376 ], [ 2.591197179063199, 3.3987261596222718, 4.951688509726834 ], [ 5.57497540468534, 5.837914987051874, 6.371823274681692 ], [ 1.5359527496853396, 0.34391342294812577, 1.1441030553183082 ], [ 3.283219732878594, 2.588259177565886, 2.6232446566511642 ], [ 7.322242387878593, 3.593569232434114, 4.892681673348836 ], [ 4.5964885618431, 0.632384463381866, 1.0080931157726247 ], [ 5.127924987186053, 4.339731712747709, 3.885521276269137 ], [ 6.6302198340632, 2.7831022503777274, 2.564237820273166 ], [ 1.0889023321860525, 1.8420966972522907, 3.6304050537308634 ], [ 6.9383585688026645, 1.334195365412464, 0.20564953171006584 ], [ 2.8993359138026644, 4.8476330445875355, 7.310276798289935 ], [ 3.242153858618866, 1.0281357813011067, 4.637545447750625 ], [ 7.281176513618866, 5.153692628698893, 2.878380882249375 ], [ 4.8973904989111485, 3.2398845355892885, 6.4273126106708425 ], [ 0.8583678439111485, 2.9419438744107116, 1.088613719329158 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 0.06297135, 0, 0 ], [ 0, -0.23191429, 0.25186016 ], [ 0, 0.25186017, 0.26883532 ] ]
-181.190834
null
[ [ 0.00078988, 0.00336962, 0.00845454 ], [ 0.00078988, -0.00336962, -0.00845454 ], [ -0.00230931, 0.00057726, -0.0006381 ], [ -0.00230931, -0.00057726, 0.0006381 ], [ -0.00195013, -0.0003705, -0.00314033 ], [ -0.00195013, 0.0003705, 0.00314033 ], [ 0.00088717, 0.00385768, -0.02196391 ], [ 0.0105472, 0.00073009, -0.01220211 ], [ 0.00088717, -0.00385768, 0.02196391 ], [ 0.0105472, -0.00073009, 0.01220211 ], [ -0.01100125, 0.00474783, -0.01353096 ], [ -0.00631651, 0.00814719, -0.00176028 ], [ 0.00579448, -0.00262378, -0.00145265 ], [ 0.00579448, 0.00262378, 0.00145265 ], [ 0.00491244, 0.0023493, 0.00178813 ], [ 0.00491244, -0.0023493, -0.00178813 ], [ -0.01100125, -0.00474783, 0.01353096 ], [ 0.00868317, -0.00023339, 0.01261258 ], [ -0.00631651, -0.00814719, 0.00176028 ], [ 0.00868317, 0.00023339, -0.01261258 ], [ -0.00606887, 0.00088533, 0.01104694 ], [ -0.00606887, -0.00088533, -0.01104694 ], [ 0.00287564, -0.00899844, 0.0071281 ], [ 0.00287564, 0.00899844, -0.0071281 ], [ -0.0068439, 0.00436492, -0.01274836 ], [ -0.0068439, -0.00436492, 0.01274836 ] ]
pbe
true
4
agm005266447-pbe-112
112
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.07758989, 0, 0 ], [ 0, 5.03811175, 0.10637737 ], [ 0, 1.14367528, 7.40982971 ] ]
agm005266447
[ [ 4.093552442208917, 4.237247938283966, 2.1998654437678633 ], [ 0.0547574972089166, 1.9445390917160335, 5.316341636232137 ], [ 2.9902559255229244, 1.7613468379173174, 0.944551124583374 ], [ 7.029050870522924, 4.420440192082682, 6.5716559554166265 ], [ 8.042936060061114, 1.5460849062217765, 1.938841627056475 ], [ 4.004141115061113, 4.635702123778223, 5.577365452943526 ], [ 5.495272690224498, 2.01805458021659, 7.235973620458507 ], [ 6.600701529089653, 3.9230187616559595, 3.6157451084533534 ], [ 1.456477745224498, 4.16373244978341, 0.2802334595414932 ], [ 2.5619065840896527, 2.25876826834404, 3.9004619715466475 ], [ 0.5573443324057277, 5.5494733040181305, 6.508291258685909 ], [ 2.590945681296, 3.398788334893012, 4.951557327837224 ], [ 5.574816918218071, 5.837820644396976, 6.372152104994658 ], [ 1.5360219732180707, 0.3439663856030245, 1.144054975005342 ], [ 3.2831111279341445, 2.5881631407253702, 2.6233855294748794 ], [ 7.321906072934145, 3.5936238892746295, 4.892821550525121 ], [ 4.596139277405728, 0.6323137259818687, 1.0079158213140924 ], [ 5.127679345028356, 4.339690472889813, 3.8858231642732894 ], [ 6.629740626296001, 2.7829986951069876, 2.564649752162777 ], [ 1.0888844000283557, 1.8420965571101875, 3.630383915726711 ], [ 6.937870389637413, 1.334312719034281, 0.20584482044976982 ], [ 2.899075444637413, 4.847474310965719, 7.310362259550232 ], [ 3.2419275358799795, 1.028077406082717, 4.637689280621313 ], [ 7.28072248087998, 5.153709623917282, 2.8785177993786872 ], [ 4.897208096320695, 3.239869633823489, 6.427440402708606 ], [ 0.8584131513206956, 2.941917396176511, 1.0887666772913942 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 0.22919546, 0, 0 ], [ 0, -0.14126612, 0.23408286 ], [ 0, 0.23408274, 0.49869818 ] ]
-181.190849
null
[ [ 0.00027025, 0.00305616, 0.00800045 ], [ 0.00027025, -0.00305616, -0.00800045 ], [ -0.0028459, 0.00012676, -0.00247391 ], [ -0.0028459, -0.00012676, 0.00247391 ], [ 0.00037736, 0.00192979, -0.00613921 ], [ 0.00037736, -0.00192979, 0.00613921 ], [ 0.00953587, 0.00673488, -0.03103008 ], [ 0.00915671, 0.00192351, -0.01072464 ], [ 0.00953587, -0.00673488, 0.03103008 ], [ 0.00915671, -0.00192351, 0.01072464 ], [ -0.01784025, 0.00704207, -0.02221089 ], [ -0.00618427, 0.00934607, 0.00083896 ], [ 0.00484522, -0.00290652, -0.00122255 ], [ 0.00484522, 0.00290652, 0.00122255 ], [ 0.00774988, 0.00325257, 0.00051188 ], [ 0.00774988, -0.00325257, -0.00051188 ], [ -0.01784025, -0.00704207, 0.02221089 ], [ 0.00714121, 0.00057439, 0.01184271 ], [ -0.00618427, -0.00934607, -0.00083896 ], [ 0.00714121, -0.00057439, -0.01184271 ], [ -0.00591733, 0.00028498, 0.01149274 ], [ -0.00591733, -0.00028498, -0.01149274 ], [ 0.00211034, -0.00648122, 0.00638577 ], [ 0.00211034, 0.00648122, -0.00638577 ], [ -0.00839908, 0.004551, -0.01312125 ], [ -0.00839908, -0.004551, 0.01312125 ] ]
pbe
true
4
agm005266447-pbe-113
113
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.07688716, 0, 0 ], [ 0, 5.03776811, 0.10669994 ], [ 0, 1.14405139, 7.41079059 ] ]
agm005266447
[ [ 4.0934204470631, 4.237402378177234, 2.201046522068254 ], [ 0.0549768670631004, 1.9444171218227657, 5.3164440079317465 ], [ 2.9899861692841356, 1.7615952185792236, 0.9454787838949559 ], [ 7.028429749284135, 4.420224281420777, 6.572011746105045 ], [ 8.042033614989425, 1.5461740882025024, 1.9391163987143178 ], [ 4.003590034989425, 4.635645411797498, 5.578374131285682 ], [ 5.494732342524655, 2.018317001867741, 7.23653480465988 ], [ 6.600414821844606, 3.9230337479059196, 3.6162697414349942 ], [ 1.456288762524655, 4.163502498132259, 0.2809557253401195 ], [ 2.561971241844606, 2.25878575209408, 3.901220788565006 ], [ 0.5567758548555336, 5.54976486409155, 6.509444862518014 ], [ 2.590385165491385, 3.399183026131478, 4.951736858913623 ], [ 5.5747473982460125, 5.83765907412504, 6.373426016493203 ], [ 1.5363038182460123, 0.3441604258749596, 1.144064513506797 ], [ 3.2831294387890204, 2.5880563729137, 2.6239461455051734 ], [ 7.32157301878902, 3.5937631270862997, 4.8935443844948265 ], [ 4.595219434855534, 0.6320546359084498, 1.0080456674819867 ], [ 5.1274568180613995, 4.339654866709527, 3.887070227102197 ], [ 6.628828745491385, 2.782636473868522, 2.5657536710863766 ], [ 1.0890132380613995, 1.842164633290473, 3.6304203028978033 ], [ 6.936954075295968, 1.3345443400923795, 0.2065220227872439 ], [ 2.8985104952959677, 4.84727515990762, 7.310968507212756 ], [ 3.2415937234932337, 1.0279610555901435, 4.638451064395371 ], [ 7.280037303493233, 5.153858444409856, 2.87903946560463 ], [ 4.896821628283085, 3.240063520866882, 6.427994974442273 ], [ 0.8583780482830861, 2.941755979133118, 1.089495555557728 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 0.1922046, 0, 0 ], [ 0, 0.1297749, 0.21751977 ], [ 0, 0.2175198, 0.30050004 ] ]
-181.190935
null
[ [ 0.00042577, 0.00237095, 0.00932142 ], [ 0.00042577, -0.00237095, -0.00932142 ], [ -0.00214424, -0.00054672, -0.00350276 ], [ -0.00214424, 0.00054672, 0.00350276 ], [ 0.00375396, 0.00421617, -0.00566692 ], [ 0.00375396, -0.00421617, 0.00566692 ], [ -0.00418568, 0.0014786, 0.0018859 ], [ 0.00333048, 0.00001064, 0.00391981 ], [ -0.00418568, -0.0014786, -0.0018859 ], [ 0.00333048, -0.00001064, -0.00391981 ], [ -0.00087265, 0.00093799, 0.00399715 ], [ -0.00380921, 0.00680645, 0.00540628 ], [ 0.00156991, -0.00223505, -0.0038058 ], [ 0.00156991, 0.00223505, 0.0038058 ], [ 0.00880414, 0.00332546, 0.00656612 ], [ 0.00880414, -0.00332546, -0.00656612 ], [ -0.00087265, -0.00093799, -0.00399715 ], [ 0.00707207, 0.00214725, 0.00737605 ], [ -0.00380921, -0.00680645, -0.00540628 ], [ 0.00707207, -0.00214725, -0.00737605 ], [ -0.00623058, 0.0008898, 0.00686879 ], [ -0.00623058, -0.0008898, -0.00686879 ], [ 0.00012933, 0.00381934, 0.00430626 ], [ 0.00012933, -0.00381934, -0.00430626 ], [ -0.00784329, -0.00038888, -0.01104635 ], [ -0.00784329, 0.00038888, 0.01104635 ] ]
pbe
true
4
agm005266447-pbe-114
114
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.07647757, 0, 0 ], [ 0, 5.03756782, 0.10688794 ], [ 0, 1.14427061, 7.41135063 ] ]
agm005266447
[ [ 4.093343541518026, 4.237492377850693, 2.201734919236845 ], [ 0.0551047565180259, 1.9443460521493063, 5.3165036507631545 ], [ 2.9898289702245804, 1.7617400335780375, 0.9460194694325567 ], [ 7.028067755224581, 4.420098396421961, 6.572219100567444 ], [ 8.041507633593536, 1.5462261016487335, 1.9392765912587373 ], [ 4.003268848593535, 4.635612328351265, 5.578961978741263 ], [ 5.494417352979711, 2.0184699495386313, 7.236861917163407 ], [ 6.6002476119220255, 3.92304246323686, 3.6165755428470785 ], [ 1.4561785679797103, 4.163368480461369, 0.2813766528365928 ], [ 2.5620088269220265, 2.25879596676314, 3.9016630271529222 ], [ 0.5564445905516359, 5.5499348023454385, 6.510117187218942 ], [ 2.5900584335226364, 3.3994130785541667, 4.951841422149804 ], [ 5.574706908739492, 5.837564948505035, 6.374168488584546 ], [ 1.5364681237394915, 0.3442734814949648, 1.1440700814154543 ], [ 3.283140144720551, 2.587994155326564, 2.624272915628463 ], [ 7.3213789297205505, 3.5938442746734354, 4.893965654371538 ], [ 4.594683375551636, 0.6319036276545614, 1.008121382781058 ], [ 5.127327071293135, 4.339634093427922, 3.88779712462159 ], [ 6.628297218522636, 2.7824253514458324, 2.5663971478501963 ], [ 1.0890882862931357, 1.8422043365720786, 3.6304414453784104 ], [ 6.936420087528557, 1.3346793421129768, 0.2069167420225299 ], [ 2.8981813025285565, 4.8471590878870225, 7.31132182797747 ], [ 3.241399212578501, 1.027893271848548, 4.638895046238993 ], [ 7.279637997578501, 5.153945158151451, 2.879343523761007 ], [ 4.896596321718758, 3.2401764788910805, 6.428318181038803 ], [ 0.858357536718759, 2.9416619511089195, 1.089920388961198 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 0.17601486, 0, 0 ], [ 0, 0.28909455, 0.20910636 ], [ 0, 0.2091062, 0.19123566 ] ]
-181.190951
null
[ [ 0.00052367, 0.00194578, 0.01012777 ], [ 0.00052367, -0.00194578, -0.01012777 ], [ -0.00177607, -0.00094071, -0.00414339 ], [ -0.00177607, 0.00094071, 0.00414339 ], [ 0.00565488, 0.00557513, -0.00529486 ], [ 0.00565488, -0.00557513, 0.00529486 ], [ -0.01210747, -0.00164847, 0.02111704 ], [ -0.00011908, -0.00114166, 0.0125261 ], [ -0.01210747, 0.00164847, -0.02111704 ], [ -0.00011908, 0.00114166, -0.0125261 ], [ 0.00906386, -0.00265032, 0.01934883 ], [ -0.00240431, 0.00535066, 0.00790456 ], [ -0.00031183, -0.00193768, -0.00531707 ], [ -0.00031183, 0.00193768, 0.00531707 ], [ 0.00937414, 0.00333976, 0.0101544 ], [ 0.00937414, -0.00333976, -0.0101544 ], [ 0.00906386, 0.00265032, -0.01934883 ], [ 0.00706761, 0.00308477, 0.00493691 ], [ -0.00240431, -0.00535066, -0.00790456 ], [ 0.00706761, -0.00308477, -0.00493691 ], [ -0.00645377, 0.00129184, 0.0043274 ], [ -0.00645377, -0.00129184, -0.0043274 ], [ -0.00100293, 0.00960063, 0.00308142 ], [ -0.00100293, -0.00960063, -0.00308142 ], [ -0.00750871, -0.00313387, -0.00991626 ], [ -0.00750871, 0.00313387, 0.00991626 ] ]
pbe
true
4
agm005266447-pbe-115
115
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.07600275, 0, 0 ], [ 0, 5.037453, 0.10736454 ], [ 0, 1.14492048, 7.41253948 ] ]
agm005266447
[ [ 4.093333057961268, 4.237936523946418, 2.203297354380731 ], [ 0.0553316829612675, 1.9444369560535826, 5.316606665619269 ], [ 2.9896068404859455, 1.762069609925706, 0.9469239797678234 ], [ 7.027608215485945, 4.420303870074294, 6.572980040232177 ], [ 8.040953786425304, 1.5465568142031445, 1.9395396078734408 ], [ 4.002952411425302, 4.635816665796856, 5.58036441212656 ], [ 5.493782034515138, 2.0190067258537163, 7.238120250658242 ], [ 6.600138525326108, 3.9233166379491244, 3.61757575767475 ], [ 1.4557806595151377, 4.163366754146284, 0.2817837693417578 ], [ 2.5621371503261074, 2.259056842050876, 3.9023282623252507 ], [ 0.5560910173173276, 5.55060945809792, 6.512008544703718 ], [ 2.589528205813173, 3.400212768704167, 4.95242966253833 ], [ 5.574779415735961, 5.837819070966568, 6.375670594411325 ], [ 1.5367780407359601, 0.34455440903343115, 1.1442334255886748 ], [ 3.2834391981802677, 2.588153306310414, 2.62518877714778 ], [ 7.321440573180268, 3.5942201736895862, 4.89471524285222 ], [ 4.594092392317328, 0.6317640219020796, 1.0078954752962814 ], [ 5.1273911531535505, 4.339973134384456, 3.889367888211117 ], [ 6.627529580813174, 2.782160711295833, 2.5674743574616703 ], [ 1.08938977815355, 1.8424003456155442, 3.630536131788883 ], [ 6.935572230666312, 1.3349972104359542, 0.2077174316926534 ], [ 2.897570855666313, 4.847376269564046, 7.312186588307347 ], [ 3.2411371765357955, 1.0281686092943076, 4.6398698505834615 ], [ 7.279138551535795, 5.154204870705692, 2.8800341694165397 ], [ 4.8961913464265505, 3.2406428743439726, 6.428940914382498 ], [ 0.8581899714265501, 2.9417306056560277, 1.0909631056175026 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 0.29565942, 0, 0 ], [ 0, 0.09891954, -0.13750466 ], [ 0, -0.13750466, 0.21382419 ] ]
-181.191021
null
[ [ 0.00088413, 0.00216431, 0.01046887 ], [ 0.00088413, -0.00216431, -0.01046887 ], [ -0.00182654, -0.00107822, -0.00498613 ], [ -0.00182654, 0.00107822, 0.00498613 ], [ 0.00280083, 0.00255983, -0.00073396 ], [ 0.00280083, -0.00255983, 0.00073396 ], [ 0.00199209, -0.00588885, 0.00735063 ], [ -0.00532896, -0.00747879, 0.00054468 ], [ 0.00199209, 0.00588885, -0.00735063 ], [ -0.00532896, 0.00747879, -0.00054468 ], [ 0.00037076, -0.00078941, 0.01274212 ], [ -0.00093621, -0.00551827, 0.00111657 ], [ -0.00343157, 0.00837301, 0.00317552 ], [ -0.00343157, -0.00837301, -0.00317552 ], [ 0.01514811, 0.00538432, 0.00289029 ], [ 0.01514811, -0.00538432, -0.00289029 ], [ 0.00037076, 0.00078941, -0.01274212 ], [ 0.00432795, 0.00411412, 0.00159357 ], [ -0.00093621, 0.00551827, -0.00111657 ], [ 0.00432795, -0.00411412, -0.00159357 ], [ -0.00992134, 0.00098521, -0.00138539 ], [ -0.00992134, -0.00098521, 0.00138539 ], [ -0.00121439, 0.01565711, 0.00178994 ], [ -0.00121439, -0.01565711, -0.00178994 ], [ -0.00286486, -0.01363372, -0.00164673 ], [ -0.00286486, 0.01363372, 0.00164673 ] ]
pbe
true
4
agm005266447-pbe-116
116
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.07576999, 0, 0 ], [ 0, 5.03739672, 0.10759817 ], [ 0, 1.14523906, 7.41312228 ] ]
agm005266447
[ [ 4.093327982500846, 4.238154287133964, 2.204063242460436 ], [ 0.055442987500846495, 1.9444814928660363, 5.316657207539564 ], [ 2.989497983549088, 1.762231204564053, 0.9473673787237116 ], [ 7.027382978549087, 4.420404575435947, 6.573353071276288 ], [ 8.040682303789747, 1.5467189694604053, 1.9396686121525881 ], [ 4.002797308789748, 4.6359168105395945, 5.581051837847411 ], [ 5.493470580586889, 2.019269868696715, 7.238737159532844 ], [ 6.600085024273499, 3.9234510454676994, 3.618066036182545 ], [ 1.4555855855868889, 4.163365911303286, 0.28198329046715487 ], [ 2.5622000292734994, 2.2591847345323006, 3.902654413817455 ], [ 0.5559177548714225, 5.550940220976129, 6.512935741014988 ], [ 2.5892682336105812, 3.400604802672566, 4.952718014889016 ], [ 5.574814985176662, 5.837943684927096, 6.376406958244695 ], [ 1.5369299901766627, 0.34469209507290444, 1.1443134917553042 ], [ 3.2835858695665276, 2.5882313292220944, 2.625637712579269 ], [ 7.321470864566527, 3.594404450777906, 4.89508273742073 ], [ 4.593802749871422, 0.6316955590238714, 1.0077847089850118 ], [ 5.127422576981156, 4.34013929204444, 3.8901378842241767 ], [ 6.627153228610582, 2.7820309773274343, 2.5680024351109827 ], [ 1.089537581981156, 1.8424964879555605, 3.6305825657758226 ], [ 6.935156635413189, 1.335153039064303, 0.2081099145663332 ], [ 2.897271640413189, 4.847482740935697, 7.312610535433667 ], [ 3.2410087950252495, 1.028303593998903, 4.640347741142463 ], [ 7.278893790025249, 5.154332186001097, 2.880372708857537 ], [ 4.895992813646729, 3.240871465022763, 6.429246106989813 ], [ 0.858107818646729, 2.941764314977237, 1.0914743430101868 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 0.36098851, 0, 0 ], [ 0, 0.00905314, -0.30861848 ], [ 0, -0.3086186, 0.22711997 ] ]
-181.191034
null
[ [ 0.00082967, 0.00214927, 0.01019875 ], [ 0.00082967, -0.00214927, -0.01019875 ], [ -0.00185893, -0.00125207, -0.00565119 ], [ -0.00185893, 0.00125207, 0.00565119 ], [ 0.0017393, 0.00112295, 0.0016002 ], [ 0.0017393, -0.00112295, -0.0016002 ], [ 0.00891422, -0.00799317, 0.00053279 ], [ -0.00788074, -0.01052744, -0.00534913 ], [ 0.00891422, 0.00799317, -0.00053279 ], [ -0.00788074, 0.01052744, 0.00534913 ], [ -0.00394903, 0.00015584, 0.00934189 ], [ -0.0001692, -0.01094367, -0.0022197 ], [ -0.00503854, 0.01335859, 0.00704865 ], [ -0.00503854, -0.01335859, -0.00704865 ], [ 0.01796482, 0.00647086, -0.00071127 ], [ 0.01796482, -0.00647086, 0.00071127 ], [ -0.00394903, -0.00015584, -0.00934189 ], [ 0.00298827, 0.00486083, -0.00010114 ], [ -0.0001692, 0.01094367, 0.0022197 ], [ 0.00298827, -0.00486083, 0.00010114 ], [ -0.01162536, 0.00093132, -0.0044016 ], [ -0.01162536, -0.00093132, 0.0044016 ], [ -0.00128937, 0.01869064, 0.00104581 ], [ -0.00128937, -0.01869064, -0.00104581 ], [ -0.00062509, -0.01872819, 0.00222033 ], [ -0.00062509, 0.01872819, -0.00222033 ] ]
pbe
true
4
agm005266447-pbe-117
117
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.07580599, 0, 0 ], [ 0, 5.03729157, 0.10779177 ], [ 0, 1.14547166, 7.41445195 ] ]
agm005266447
[ [ 4.093580266511036, 4.238512746416307, 2.2056228768440658 ], [ 0.05567727151103669, 1.9442504835836931, 5.316620843155935 ], [ 2.989425706527714, 1.7624651432378315, 0.9480295742152777 ], [ 7.027328701527713, 4.420298086762168, 6.5742141457847225 ], [ 8.040682129281873, 1.5469574261605896, 1.9399448473026937 ], [ 4.002779134281872, 4.63580580383941, 5.582298872697306 ], [ 5.493406558432478, 2.0192247673441672, 7.240093048871259 ], [ 6.600195365571678, 3.9232895174612326, 3.61881461162467 ], [ 1.4555035634324784, 4.163538462655832, 0.2821506711287406 ], [ 2.562292370571679, 2.259473712538767, 3.90342910837533 ], [ 0.5555304946329851, 5.551251885330238, 6.5148775648115285 ], [ 2.5889228253720633, 3.4008560937841947, 4.953229433001585 ], [ 5.575098908327461, 5.83817083912998, 6.377913075032594 ], [ 1.5371959133274617, 0.3445923908700199, 1.1443306449674064 ], [ 3.284469706066231, 2.5883982093695654, 2.6264439805629833 ], [ 7.3223727010662305, 3.594365020630434, 4.895799739437016 ], [ 4.593433489632984, 0.6315113446697617, 1.0073661551884725 ], [ 5.127855038779009, 4.34037592033596, 3.8915282416602492 ], [ 6.626825820372063, 2.7819071362158043, 2.5690142869984145 ], [ 1.089952043779009, 1.84238730966404, 3.6307154783397513 ], [ 6.934511444333146, 1.3354626897297994, 0.2086976485481171 ], [ 2.8966084493331468, 4.847300540270201, 7.313546071451883 ], [ 3.2409270598777082, 1.0287529207006536, 4.641403626966739 ], [ 7.278830054877708, 5.154010309299347, 2.88084009303326 ], [ 4.895890917554202, 3.2405587592695424, 6.429954204278872 ], [ 0.8579879225542022, 2.942204470730457, 1.0922895157211274 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 0.35229764, 0, 0 ], [ 0, -0.01458857, -0.13594712 ], [ 0, -0.13594731, 0.12244289 ] ]
-181.191132
null
[ [ 0.00179833, 0.00446816, 0.00964197 ], [ 0.00179833, -0.00446816, -0.00964197 ], [ -0.00138834, -0.00089123, -0.00479244 ], [ -0.00138834, 0.00089123, 0.00479244 ], [ -0.00094137, -0.00296839, 0.00421255 ], [ -0.00094137, 0.00296839, -0.00421255 ], [ 0.00757079, -0.00218452, -0.00354559 ], [ 0.00243771, -0.00773484, 0.01046416 ], [ 0.00757079, 0.00218452, 0.00354559 ], [ 0.00243771, 0.00773484, -0.01046416 ], [ -0.01011266, 0.00318805, 0.00128483 ], [ 0.00162067, -0.00396323, 0.00270366 ], [ -0.0061805, 0.0041189, 0.00298911 ], [ -0.0061805, -0.0041189, -0.00298911 ], [ 0.00900053, 0.00298783, 0.00880598 ], [ 0.00900053, -0.00298783, -0.00880598 ], [ -0.01011266, -0.00318805, -0.00128483 ], [ -0.00137763, 0.00531913, 0.00031482 ], [ 0.00162067, 0.00396323, -0.00270366 ], [ -0.00137763, -0.00531913, -0.00031482 ], [ -0.0031724, 0.0033246, -0.00330411 ], [ -0.0031724, -0.0033246, 0.00330411 ], [ 0.00325913, 0.01110275, 0.00492705 ], [ 0.00325913, -0.01110275, -0.00492705 ], [ -0.00251427, -0.01413916, 0.00268653 ], [ -0.00251427, 0.01413916, -0.00268653 ] ]
pbe
true
4
agm005266447-pbe-118
118
1
[ "Li", "O", "P", "V" ]
26
A8B2C2D
Li2O8P2V
Li4 V2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.07584349, 0, 0 ], [ 0, 5.03718201, 0.1079935 ], [ 0, 1.14571402, 7.4158374 ] ]
agm005266447
[ [ 4.093843084763375, 4.238886297898995, 2.2072480882204792 ], [ 0.0559213397633748, 1.9440097321010057, 5.316582811779521 ], [ 2.98935043061196, 1.7627089341661908, 0.948719679724053 ], [ 7.0272721756119605, 4.420187095833809, 6.575111220275947 ], [ 8.040681913512019, 1.5472058282233165, 1.9402326258533873 ], [ 4.00276016851202, 4.635690201776684, 5.583598274146613 ], [ 5.493339760171263, 2.0191777691790076, 7.241505813569042 ], [ 6.600310325380716, 3.923121168005439, 3.619594595286472 ], [ 1.4554180151712632, 4.163718260820993, 0.282325086430958 ], [ 2.562388580380715, 2.259774861994561, 3.9042363047135282 ], [ 0.5551270208278081, 5.551576626588678, 6.516900943643145 ], [ 2.588562954440849, 3.4011178978738705, 4.9537622785086555 ], [ 5.5753946909851475, 5.838407516026765, 6.379482427377482 ], [ 1.5374729459851477, 0.34448851397323466, 1.144348472622518 ], [ 3.285390663346635, 2.588572070104416, 2.6272841260754918 ], [ 7.323312408346635, 3.5943239598955845, 4.896546773924507 ], [ 4.593048765827808, 0.6313194034113224, 1.006929956356856 ], [ 5.12830565829908, 4.340622505269549, 3.892976998508525 ], [ 6.62648469944085, 2.7817781321261297, 2.570068621491344 ], [ 1.0903839132990805, 1.842273524730452, 3.630853901491475 ], [ 6.933839188905014, 1.3357853644891113, 0.20931019696967001 ], [ 2.895917443905014, 4.847110665510889, 7.314520703030331 ], [ 3.240841887902748, 1.029221079720815, 4.642503761472506 ], [ 7.278763632902748, 5.153674950279186, 2.881327138527494 ], [ 4.895784761158477, 3.2402329213850063, 6.430691878460575 ], [ 0.8578630161584769, 2.942663108614994, 1.0931390215394259 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.15384615384615385, 0.6153846153846154, 0.15384615384615385, 0.07692307692307693 ]
[ [ 0.34778347, 0, 0 ], [ 0, -0.03654603, 0.04269579 ], [ 0, 0.0426958, 0.01582094 ] ]
-181.191184
null
[ [ 0.00262454, 0.00679059, 0.00863723 ], [ 0.00262454, -0.00679059, -0.00863723 ], [ -0.00090497, -0.00063484, -0.0041526 ], [ -0.00090497, 0.00063484, 0.0041526 ], [ -0.00348712, -0.00709147, 0.00689716 ], [ -0.00348712, 0.00709147, -0.00689716 ], [ 0.00617232, 0.00386899, -0.00785176 ], [ 0.01322174, -0.00474277, 0.02690781 ], [ 0.00617232, -0.00386899, 0.00785176 ], [ 0.01322174, 0.00474277, -0.02690781 ], [ -0.01674912, 0.00645449, -0.00718928 ], [ 0.00343111, 0.00327027, 0.0077487 ], [ -0.00731753, -0.00557535, -0.00132702 ], [ -0.00731753, 0.00557535, 0.00132702 ], [ -0.00025681, -0.00058351, 0.01865154 ], [ -0.00025681, 0.00058351, -0.01865154 ], [ -0.01674912, -0.00645449, 0.00718928 ], [ -0.005814, 0.00598719, 0.00074835 ], [ 0.00343111, -0.00327027, -0.0077487 ], [ -0.005814, -0.00598719, -0.00074835 ], [ 0.00559055, 0.00593115, -0.00226557 ], [ 0.00559055, -0.00593115, 0.00226557 ], [ 0.00793481, 0.00329278, 0.00891047 ], [ 0.00793481, -0.00329278, -0.00891047 ], [ -0.00444551, -0.00937537, 0.00306961 ], [ -0.00444551, 0.00937537, -0.00306961 ] ]
pbe
true
4
agm005266447-pbe-119
119
1