A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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C 1.08134 0.00760 -0.05767 |
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H 2.17354 0.00760 -0.05767 |
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H 0.71728 -0.90733 -0.53017 |
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H 0.71728 0.87426 -0.61377 |
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H 0.71728 0.05587 0.97094
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