A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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8 |
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C 1.02239 0.04254 0.08466 |
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O 0.41209 0.95254 -0.45320 |
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N 0.40972 -0.98915 0.69444 |
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N 2.36659 -0.01654 0.11958 |
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H -0.60100 -0.99244 0.69639 |
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H 0.90581 -1.74231 1.13959 |
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H 2.87526 0.73534 -0.32483 |
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H 2.87621 -0.76297 0.56076
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