msspec_python3/msspec/es/cluster_examples/H2O.xyz

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Properties=species:S:1:pos:R:3:Z:I:1 pbc="F F F"
O 0.00000000 0.00000000 0.11926200 8
H 0.00000000 0.76323900 -0.47704700 1
H 0.00000000 -0.76323900 -0.47704700 1