Search is not available for this dataset
num_atoms
int64 3
3
| positions
listlengths 3
3
| energy_eV
float64 -4.72
518
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[
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] | 17.952518 |
3 |
[
[
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[
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] | 203.851929 |
3 |
[
[
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[
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] | 260.266144 |
3 |
[
[
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[
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] | 200.571533 |
3 |
[
[
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[
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] | 83.879921 |
3 |
[
[
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3 |
[
[
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] | 65.482368 |
3 |
[
[
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] | 319.770935 |
3 |
[
[
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3 |
[
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[
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] | 17.263796 |
3 |
[
[
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[
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] | 110.137482 |
3 |
[
[
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[
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] | 101.682007 |
3 |
[
[
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[
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] | 126.735016 |
3 |
[
[
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[
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] | 174.629913 |
3 |
[
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] | 8.530723 |
3 |
[
[
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[
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] | 82.462662 |
3 |
[
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[
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] | 201.988846 |
3 |
[
[
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[
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] | 11.75996 |
3 |
[
[
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[
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] | 246.793274 |
3 |
[
[
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[
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] | 148.929428 |
3 |
[
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] | 177.978882 |
3 |
[
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[
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] | 330.438171 |
3 |
[
[
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[
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] | 191.03067 |
3 |
[
[
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[
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[
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] | 187.572845 |
3 |
[
[
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] | 294.382813 |
3 |
[
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] | 182.828003 |
3 |
[
[
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[
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] | 168.086945 |
3 |
[
[
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] | 16.904608 |
3 |
[
[
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[
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] | 126.852188 |
3 |
[
[
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[
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] | 102.445831 |
3 |
[
[
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[
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] | 173.262939 |
3 |
[
[
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[
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] | 93.401688 |
3 |
[
[
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[
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] | 122.169701 |
3 |
[
[
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[
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[
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] | 139.311768 |
3 |
[
[
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[
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[
-3.0627574920654297,
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] | 78.750275 |
3 |
[
[
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[
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[
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] | 68.697456 |
3 |
[
[
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[
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[
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] | 215.561417 |
3 |
[
[
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[
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],
[
-2.3018243312835693,
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]
] | 47.402252 |
3 |
[
[
0.03105091117322445,
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[
-0.4359489679336548,
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],
[
-1.0237560272216797,
2.4752020835876465,
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]
] | 100.8936 |
3 |
[
[
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[
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],
[
-0.6628798842430115,
1.9429057836532593,
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]
] | 266.913513 |
3 |
[
[
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[
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[
-0.5821152925491333,
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]
] | 82.418106 |
3 |
[
[
0.46695899963378906,
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[
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],
[
-0.7901265621185303,
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]
] | 96.39566 |
3 |
[
[
0.07293259352445602,
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[
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],
[
-1.6062246561050415,
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]
] | 211.373077 |
3 |
[
[
0.5881349444389343,
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],
[
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],
[
-0.8864967823028564,
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0.8841184377670288
]
] | 15.057182 |
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