A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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7 |
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C -2.84576 1.12311 -0.06634 |
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Cl -4.62223 1.19754 -0.06068 |
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O -1.45320 1.06494 -0.07052 |
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H -2.79944 2.23146 -0.05062 |
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H -2.86670 0.55451 0.88604 |
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H -2.87131 0.58309 -1.03503 |
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H -0.86853 1.39271 -0.82228
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