A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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C -1.09158 0.31253 0.00000 |
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C 0.40641 0.34539 0.00000 |
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O 0.99388 1.41528 -0.00000 |
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O 1.11593 -0.80223 0.00000 |
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H -1.50826 1.34248 0.00000 |
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H -1.45092 -0.22036 0.90489 |
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H -1.45092 -0.22036 -0.90489 |
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H 0.67957 -1.66578 0.00000
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