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[
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[
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1
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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1
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[
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[
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[
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[
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[
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[
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6.578933115937728,
2.975103944515764
],
[
3.753394585519302,
2.725110734062272,
5.064800485484236
]
] | [{"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
] | [
[
-0.92975569,
-0.10683268,
0.19345939
],
[
-0.10683262,
-0.33395939,
0.24020671
],
[
0.19345938,
0.24020669,
-1.22848375
]
] | -61.425352 | -62.713352 | [
[
0.00066051,
-0.02145387,
0.00553492
],
[
-0.00066051,
0.02145387,
-0.00553492
],
[
-0.00761926,
0.01684985,
0.00961596
],
[
0.00761926,
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],
[
-0.01911377,
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0.01408973
],
[
0.01911377,
0.01569829,
-0.01408973
],
[
-0.00626267,
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0.0033862
],
[
0.00626267,
0.00723537,
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],
[
-0.05113546,
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0.01808364
],
[
0.05113546,
0.04414902,
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],
[
0.01713602,
0.0369658,
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],
[
-0.01713602,
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],
[
0.05337792,
0.03767569,
-0.02673757
],
[
-0.05337792,
-0.03767569,
0.02673757
]
] | pbe | true | 2 | agm005266257-pbe-266 | 266 | 2 |
[
"Ca",
"Cl",
"O"
] | 14 | A4B2C | CaCl2O4 | Ca2 Cl4 O8 | 3 | [
1,
1,
1
] | 3 | [
[
5.39044004,
-0.07361325,
0.12902118
],
[
1.33541545,
6.28364154,
0.14819834
],
[
1.26453079,
3.119176,
7.75780682
]
] | agm005266257 | [
[
2.0237531219153118,
5.85142731718704,
1.8498878081660994
],
[
5.966633158084687,
3.477776972812959,
6.185138531833901
],
[
4.457733900337773,
4.343074742807188,
0.8448399228632498
],
[
3.5326523796622262,
4.986129547192812,
7.19018641713675
],
[
1.0439234552605083,
2.8385871870506283,
3.164434813104488
],
[
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6.490617102949371,
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],
[
2.2331661673715137,
4.025513009955139,
7.6087297442712725
],
[
5.757220112628486,
5.30369128004486,
0.4262965957287276
],
[
3.8971966087489633,
0.9358740308050567,
2.366259763429515
],
[
4.093189671251037,
8.393330259194943,
5.668766576570485
],
[
2.30900367839181,
3.793383759878422,
2.7508102222644837
],
[
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5.535820530121578,
5.284216117735516
],
[
4.236338988581162,
6.595270470700011,
2.9763682712431363
],
[
3.7540472914188383,
2.733933819299989,
5.058658068756863
]
] | [{"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
] | [
[
-2.73638249,
-1.14579731,
1.05499309
],
[
-1.1457973,
-0.99065931,
0.38471207
],
[
1.05499311,
0.38471208,
-1.19659513
]
] | -61.425161 | -62.713161 | [
[
0.00141724,
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0.01119167
],
[
-0.00141724,
0.01222039,
-0.01119167
],
[
0.01435847,
0.03807289,
0.00527288
],
[
-0.01435847,
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],
[
-0.01170678,
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],
[
0.01170678,
0.01058752,
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],
[
0.0236038,
0.01523087,
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],
[
-0.0236038,
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0.00378304
],
[
-0.15349291,
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0.0628875
],
[
0.15349291,
0.11074118,
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],
[
0.01158306,
0.01891955,
0.00068723
],
[
-0.01158306,
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],
[
0.15728382,
0.10180745,
-0.07233843
],
[
-0.15728382,
-0.10180745,
0.07233843
]
] | pbe | true | 2 | agm005266257-pbe-267 | 267 | 2 |
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