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

2 years ago
5
XYZ file generated by Avogadro.
C -2.23209 1.11879 -0.00000
H -1.43210 0.87042 0.66574
H -1.90949 1.88312 -0.67574
H -2.51738 0.24944 -0.55475
H -3.06940 1.47217 0.56475