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[
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[
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[
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[
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[
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[
1.0328372375,
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[
3.0985117124999997,
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[
3.0985117124999997,
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[
1.0328372375,
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17.541249740804304
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[
1.0328372375,
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13.953681069195692
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[
3.0985117124999997,
5.917304960462522,
7.042939470804306
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
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"Al",
"Al",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Br",
"Br",
"Br",
"Br"
] | 2024-05-07 00:00:00 | [
0.42857142857142855,
0.14285714285714285,
0.42857142857142855
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[
0.01028243,
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0
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0,
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0
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[
0,
0,
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] | -104.942571 | -107.078571 | [
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0,
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0,
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[
0,
0.0024648,
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[
0,
-0.0024648,
0.00130114
]
] | pbe | true | 62 | agm005266218-pbe-81 | 81 | 1 |
[
"Al",
"Br",
"Te"
] | 28 | A3B3C | Al3BrTe3 | Al12 Te12 Br4 | 3 | [
1,
1,
1
] | 3 | [
[
4.12765024,
0,
0
],
[
0,
11.3207013,
0
],
[
0,
0,
20.44224673
]
] | agm005266218 | [
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1.03191256,
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[
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[
3.09573768,
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
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"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Br",
"Br",
"Br",
"Br"
] | 2024-05-07 00:00:00 | [
0.42857142857142855,
0.14285714285714285,
0.42857142857142855
] | [
[
1.55529244,
0,
0
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[
0,
1.42338278,
0
],
[
0,
0,
2.59412898
]
] | -104.885723 | -107.021723 | [
[
0,
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[
0,
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0,
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0,
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0,
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0,
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0,
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[
0,
0.02158125,
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[
0,
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[
0,
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[
0,
0.04135631,
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[
0,
0.04135631,
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[
0,
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[
0,
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[
0,
0.04058987,
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],
[
0,
0.04058987,
-0.00234403
],
[
0,
-0.04058987,
0.00234403
]
] | pbe | true | 62 | agm005266218-pbe-9 | 9 | 0 |
[
"Lu",
"Sr"
] | 2 | AB | LuSr | Sr Lu | 2 | [
1,
1,
1
] | 3 | [
[
3.76106489,
0,
0
],
[
-1.88053245,
3.25717774,
0
],
[
0,
0,
6.28013113
]
] | agm005266241 | [
[
1.880532462138658,
1.0857259024760741,
0
],
[
0,
0,
3.140065565
]
] | [{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Lu"
] | 2024-05-07 00:00:00 | [
0.5,
0.5
] | [
[
-0.8498397,
0,
0
],
[
0,
-0.8498397,
0
],
[
0,
0,
-0.17170451
]
] | -5.612522 | -5.612522 | [
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 187 | agm005266241-pbe-0 | 0 | 0 |
[
"Lu",
"Sr"
] | 2 | AB | LuSr | Sr Lu | 2 | [
1,
1,
1
] | 3 | [
[
3.75736269,
0,
0
],
[
-1.87868135,
3.25397154,
0
],
[
0,
0,
6.27888213
]
] | agm005266241 | [
[
1.8786813621201466,
1.0846571691534281,
0
],
[
0,
0,
3.139441065
]
] | [{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Lu"
] | 2024-05-07 00:00:00 | [
0.5,
0.5
] | [
[
0.71876528,
0,
0
],
[
0,
0.71876528,
0
],
[
0,
0,
0.60359005
]
] | -5.611689 | -5.611689 | [
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 187 | agm005266241-pbe-1 | 1 | 0 |
[
"Lu",
"Sr"
] | 2 | AB | LuSr | Sr Lu | 2 | [
1,
1,
1
] | 3 | [
[
3.75911351,
0,
0
],
[
-1.87955675,
3.25548779,
0
],
[
0,
0,
6.2794728
]
] | agm005266241 | [
[
1.879556775462234,
1.0851625858150407,
0
],
[
0,
0,
3.1397364
]
] | [{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Lu"
] | 2024-05-07 00:00:00 | [
0.5,
0.5
] | [
[
0.65873292,
0,
0
],
[
0,
0.65873292,
0
],
[
0,
0,
0.65459937
]
] | -5.613501 | -5.613501 | [
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 187 | agm005266241-pbe-2 | 2 | 0 |
[
"Lu",
"Sr"
] | 2 | AB | LuSr | Sr Lu | 2 | [
1,
1,
1
] | 3 | [
[
3.76000142,
0,
0
],
[
-1.88000071,
3.25625675,
0
],
[
0,
0,
6.27977235
]
] | agm005266241 | [
[
1.8800007288000073,
1.0854189058124775,
0
],
[
0,
0,
3.139886175
]
] | [{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Lu"
] | 2024-05-07 00:00:00 | [
0.5,
0.5
] | [
[
0.1741708,
0,
0
],
[
0,
0.1741708,
0
],
[
0,
0,
0.2232623
]
] | -5.614647 | -5.614647 | [
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 187 | agm005266241-pbe-3 | 3 | 0 |
[
"Lu",
"Sr"
] | 2 | AB | LuSr | Sr Lu | 2 | [
1,
1,
1
] | 3 | [
[
3.76027123,
0,
0
],
[
-1.88013561,
3.25649041,
0
],
[
0,
0,
6.27986338
]
] | agm005266241 | [
[
1.880135635468023,
1.0854967924783652,
0
],
[
0,
0,
3.13993169
]
] | [{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Lu"
] | 2024-05-07 00:00:00 | [
0.5,
0.5
] | [
[
0.20332599,
0,
0
],
[
0,
0.20332599,
0
],
[
0,
0,
1.10293074
]
] | -5.585759 | -5.585759 | [
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 187 | agm005266241-pbe-4 | 4 | 0 |
[
"Lu",
"Sr"
] | 2 | AB | LuSr | Sr Lu | 2 | [
1,
1,
1
] | 3 | [
[
3.76066806,
0,
0
],
[
-1.88033403,
3.25683408,
0
],
[
0,
0,
6.27999725
]
] | agm005266241 | [
[
1.8803340488033404,
1.0856113491438864,
0
],
[
0,
0,
3.139998625
]
] | [{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Lu"
] | 2024-05-07 00:00:00 | [
0.5,
0.5
] | [
[
-0.0413151,
0,
0
],
[
0,
-0.0413151,
0
],
[
0,
0,
0.05366831
]
] | -5.614631 | -5.614631 | [
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 187 | agm005266241-pbe-5 | 5 | 0 |
[
"Lu",
"Sr"
] | 2 | AB | LuSr | Sr Lu | 2 | [
1,
1,
1
] | 3 | [
[
3.76066806,
0,
0
],
[
-1.88033403,
3.25683408,
0
],
[
0,
0,
6.27999725
]
] | agm005266241 | [
[
1.8803340488033404,
1.0856113491438864,
0
],
[
0,
0,
3.139998625
]
] | [{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Lu"
] | 2024-05-07 00:00:00 | [
0.5,
0.5
] | [
[
-0.00537139,
0,
0
],
[
0,
-0.00537139,
0
],
[
0,
0,
0.13194109
]
] | -5.614544 | -5.614544 | [
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 187 | agm005266241-pbe-6 | 6 | 1 |
[
"Ca",
"Cl",
"O"
] | 14 | A4B2C | CaCl2O4 | Ca2 Cl4 O8 | 3 | [
1,
1,
1
] | 3 | [
[
5.285327,
0,
0
],
[
1.392713,
5.847654,
0
],
[
1.079338,
2.764426,
8.171745
]
] | agm005266257 | [
[
2.106868313464,
5.548280827016001,
1.751605369005
],
[
5.650509686536,
3.063799172984,
6.420139630994999
],
[
4.397647832825,
4.045461588794,
0.47595511577999994
],
[
3.359730167175,
4.566618411206,
7.69578988422
],
[
0.9016675821619999,
2.614563884596,
3.08316670152
],
[
6.855710417838,
5.997516115404,
5.08857829848
],
[
1.976241018208,
3.67472249866,
7.9735393250249995
],
[
5.781136981792,
4.93735750134,
0.19820567497499997
],
[
5.2008243958500895,
6.4537041293740005,
2.72205728997
],
[
2.5565536041499097,
2.1583758706259997,
5.449687710029999
],
[
2.228920249081,
3.4440154061820003,
2.62675839978
],
[
5.528457750919,
5.168064593818,
5.54498660022
],
[
4.255722090428,
5.783907609714,
3.23380464885
],
[
3.5016559095719995,
2.828172390286,
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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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"O",
"O",
"O",
"O",
"O",
"O"
] | 2024-05-07 00:00:00 | [
0.14285714285714285,
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] | [
[
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[
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] | -61.409697 | -62.697697 | [
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[
-0.02432832,
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]
] | pbe | true | 2 | agm005266257-pbe-173 | 173 | 1 |
[
"Ca",
"Cl",
"O"
] | 14 | A4B2C | CaCl2O4 | Ca2 Cl4 O8 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm005266257 | [
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[
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] | [{"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",
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"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
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"O",
"O"
] | 2024-05-07 00:00:00 | [
0.14285714285714285,
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] | -61.409957 | -62.697957 | [
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[
0.02484598,
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] | pbe | true | 2 | agm005266257-pbe-174 | 174 | 1 |
[
"Ca",
"Cl",
"O"
] | 14 | A4B2C | CaCl2O4 | Ca2 Cl4 O8 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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]
] | agm005266257 | [
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] | [{"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"]}] | [
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"Cl",
"Cl",
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"O",
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"O",
"O",
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"O",
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] | 2024-05-07 00:00:00 | [
0.14285714285714285,
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[
0.04479747,
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]
] | pbe | true | 2 | agm005266257-pbe-175 | 175 | 1 |
[
"Ca",
"Cl",
"O"
] | 14 | A4B2C | CaCl2O4 | Ca2 Cl4 O8 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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],
[
1.26219058,
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]
] | agm005266257 | [
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[
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] | [{"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",
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"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
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] | 2024-05-07 00:00:00 | [
0.14285714285714285,
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] | [
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[
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]
] | -61.410112 | -62.698112 | [
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[
0.03635102,
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]
] | pbe | true | 2 | agm005266257-pbe-176 | 176 | 1 |
[
"Ca",
"Cl",
"O"
] | 14 | A4B2C | CaCl2O4 | Ca2 Cl4 O8 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
1.26314175,
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]
] | agm005266257 | [
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[
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] | [{"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"]}] | [
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"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2024-05-07 00:00:00 | [
0.14285714285714285,
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] | [
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[
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]
] | -61.410355 | -62.698355 | [
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[
0.01180111,
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]
] | pbe | true | 2 | agm005266257-pbe-177 | 177 | 1 |
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