filename stringlengths 25 27 | content stringlengths 4.6k 4.6k |
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optimized_conformer_86.xyz | 84
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optimized_conformer_87.xyz | 84
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optimized_conformer_88.xyz | 84
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optimized_conformer_89.xyz | 84
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C 0.90659034 -0.33927973 3.51679362
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C 3.37842373 -1.51015762 ... |
optimized_conformer_9.xyz | 84
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C 1.45621669 -0.47834907 3.18604325
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C 3.31102829 -1.64475321 ... |
optimized_conformer_90.xyz | 84
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C 1.30691671 -0.38742295 3.02799743
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C 3.18077915 -1.54086515 ... |
optimized_conformer_91.xyz | 84
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C 0.90436760 -0.39178842 3.36354935
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C 3.48522242 -2.35441339 ... |
optimized_conformer_92.xyz | 84
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C 1.54759401 -0.30277129 3.02322380
C 3.11054067 -1.44271503 0.81999960
C 3.10544529 -1.78325485 ... |
optimized_conformer_93.xyz | 84
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C 1.65414248 -0.39171570 2.94827260
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C 3.15661698 -1.53321495 ... |
optimized_conformer_94.xyz | 84
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C 2.95296179 0.20511741 1.41142381
C 1.18020731 -0.28564038 3.13540374
C 2.56911704 -1.14090694 0.82154177
C 2.80159812 -1.83151140 ... |
optimized_conformer_95.xyz | 84
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C 3.13611079 0.49508222 1.70322615
C 1.31039242 -0.29864225 3.17107750
C 3.01030091 -0.74929300 0.78680063
C 3.19738469 -1.12526608 ... |
optimized_conformer_96.xyz | 84
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C 1.18810934 -0.30574964 3.34691956
C 3.05463845 -1.25577885 1.41481465
C 3.22110309 -1.58822774 ... |
optimized_conformer_97.xyz | 84
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C 0.93765298 -0.55752732 3.43916061
C 2.62819166 -1.77975606 1.55921462
C 2.71725614 -2.18339130 ... |
optimized_conformer_98.xyz | 84
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C 3.10323836 -0.13382862 1.98188613
C 1.04403205 -0.28008442 3.30262467
C 2.85198136 -1.44466470 1.49032504
C 3.10474724 -1.79099703 ... |
optimized_conformer_99.xyz | 84
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C 0.38336783 -0.57256713 3.59802611
C 2.54864084 -0.99891967 1.82726257
C 2.91402067 -1.18286351 ... |
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