A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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C -3.93872 0.79423 0.00000 |
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O -3.85062 2.01298 0.00000 |
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N -5.15916 0.20881 0.00000 |
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N -2.81516 0.03938 -0.00000 |
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H -6.01484 0.78370 0.00000 |
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H -5.25311 -0.81752 -0.00000 |
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H -1.88569 0.48524 -0.00000 |
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H -2.86978 -0.98979 -0.00000
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