msspec_python3/msspec/es/cluster_examples/GeCl4.xyz

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2019-11-14 15:16:51 +01:00
5
Properties=species:S:1:pos:R:3:Z:I:1 pbc="F F F"
Ge 0.0000 0.0000 0.0000 32
Cl 1.2100 1.2100 1.2100 17
Cl 1.2100 -1.2100 -1.2100 17
Cl -1.2100 1.2100 -1.2100 17
Cl -1.2100 -1.2100 1.2100 17