A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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C 1.06814 0.06987 0.02180 |
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H 2.16034 0.06987 0.02180 |
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H 0.70408 -0.65279 0.75536 |
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H 0.70407 -0.20408 -0.97083 |
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H 0.70407 1.06648 0.28086
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