A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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7 lines
199 B

2 years ago
4
N -3.92638 2.02046 -0.01511
H -2.88327 2.03305 0.00110
H -4.26440 3.00059 -0.13170
H -4.26440 1.66429 0.90542