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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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4.063522686991442,
8.583070202577295,
5.6882841523505245
],
[
2.3087944835775245,
3.9079447841585284,
2.7801275711941926
],
[
5.668941786422476,
5.627462285841471,
5.209850468805808
],
[
4.214867300659671,
6.7658750885352426,
2.9731864559608634
],
[
3.7628689693403286,
2.7695319814647568,
5.0167915840391375
]
] | [{"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
] | [
[
-1.06940619,
-0.79255999,
0.42976508
],
[
-0.79255993,
-0.26216794,
0.22007435
],
[
0.4297651,
0.22007434,
-0.09884002
]
] | -61.430446 | -62.718446 | [
[
-0.00373946,
0.00455156,
-0.00408258
],
[
0.00373946,
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0.00408258
],
[
0.0314671,
0.01903347,
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],
[
-0.0314671,
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],
[
0.02199841,
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],
[
-0.02199841,
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],
[
0.02611775,
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],
[
-0.02611775,
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],
[
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0.00630486
],
[
0.0164334,
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],
[
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],
[
0.02087588,
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],
[
0.01724885,
0.01830604,
-0.00828929
],
[
-0.01724885,
-0.01830604,
0.00828929
]
] | pbe | true | 2 | agm005266257-pbe-356 | 356 | 2 |
[
"Ca",
"Cl",
"O"
] | 14 | A4B2C | CaCl2O4 | Ca2 Cl4 O8 | 3 | [
1,
1,
1
] | 3 | [
[
5.40270684,
-0.10712745,
0.14397168
],
[
1.30010131,
6.40990206,
0.19323344
],
[
1.27347367,
3.22989858,
7.65305778
]
] | agm005266257 | [
[
1.9892853751348205,
5.956340647761666,
1.8852921138224774
],
[
5.98699644486518,
3.576332542238334,
6.104970786177523
],
[
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4.461901564183867,
0.9365036405840423
],
[
3.55806968557953,
5.070771625816135,
7.0537592594159575
],
[
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2.9123932446441474,
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],
[
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],
[
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7.510642522515335
],
[
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0.4796203774846648
],
[
3.9130387530120707,
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2.302759497261513
],
[
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],
[
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2.7798693198825113
],
[
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5.210393580117489
],
[
4.214617972482346,
6.762784072873515,
2.973201150752405
],
[
3.7616638475176534,
2.7698891171264854,
5.017061749247595
]
] | [{"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
] | [
[
-0.60923088,
-0.41396372,
0.23509532
],
[
-0.41396378,
-0.15257971,
0.14939334
],
[
0.23509544,
0.14939343,
-0.1924747
]
] | -61.430474 | -62.718474 | [
[
-0.00275389,
0.00502828,
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],
[
0.00275389,
-0.00502828,
0.00440383
],
[
0.02251802,
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],
[
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],
[
0.01157936,
0.00862995,
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],
[
-0.01157936,
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],
[
0.01615145,
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],
[
-0.01615145,
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0.00327404
],
[
0.00004142,
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],
[
-0.00004142,
0.00204035,
0.0003685
],
[
-0.01142673,
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0.00343318
],
[
0.01142673,
0.01337857,
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],
[
0.00123229,
0.00855727,
-0.0010011
],
[
-0.00123229,
-0.00855727,
0.0010011
]
] | pbe | true | 2 | agm005266257-pbe-357 | 357 | 2 |
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