cbutadiene.xyz
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output/cbutadiene/cbutadiene.xyz
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10
output/cbutadiene/cbutadiene.xyz
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@ -0,0 +1,10 @@
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C -0.82021 1.29573 -1.72332
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C 0.37984 0.46351 -1.63817
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C -1.13952 0.96288 -0.47631
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C 0.06045 0.13069 -0.39109
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H -1.28260 1.92908 -2.47237
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H -1.96108 1.21924 0.18325
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H 1.20268 0.20539 -2.29562
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H 0.52113 -0.50209 0.35924
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