A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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5 |
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XYZ file generated by Avogadro. |
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C -2.23209 1.11879 -0.00000 |
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H -1.43210 0.87042 0.66574 |
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H -1.90949 1.88312 -0.67574 |
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H -2.51738 0.24944 -0.55475 |
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H -3.06940 1.47217 0.56475
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