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msspec_python3/msspec/es/cluster_examples/copper.xyz

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Initial commit for the dynamic version
2019-11-14 15:16:51 +01:00
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Lattice="36.0 0.0 0.0 0.0 36.0 0.0 0.0 0.0 36.0" Properties=species:S:1:pos:R:3:Z:I:1 pbc="T T T"
Cu -5.40000000 -3.60000000 -1.80000000 29
Cu -5.40000000 -1.80000000 -3.60000000 29
Cu -5.40000000 -1.80000000 0.00000000 29
Cu -5.40000000 0.00000000 -1.80000000 29
Cu -5.40000000 1.80000000 -3.60000000 29
Cu -7.20000000 0.00000000 0.00000000 29
Cu -5.40000000 1.80000000 0.00000000 29
Cu -5.40000000 3.60000000 -1.80000000 29
Cu -3.60000000 -5.40000000 -1.80000000 29
Cu -1.80000000 -5.40000000 -3.60000000 29
Cu -1.80000000 -5.40000000 0.00000000 29
Cu -3.60000000 -1.80000000 -5.40000000 29
Cu -1.80000000 -3.60000000 -5.40000000 29
Cu -3.60000000 -3.60000000 -3.60000000 29
Cu -3.60000000 -1.80000000 -1.80000000 29
Cu -1.80000000 -3.60000000 -1.80000000 29
Cu -1.80000000 -1.80000000 -3.60000000 29
Cu -3.60000000 -3.60000000 0.00000000 29
Cu -1.80000000 -1.80000000 0.00000000 29
Cu -3.60000000 1.80000000 -5.40000000 29
Cu -1.80000000 0.00000000 -5.40000000 29
Cu -3.60000000 0.00000000 -3.60000000 29
Cu -3.60000000 1.80000000 -1.80000000 29
Cu -1.80000000 0.00000000 -1.80000000 29
Cu -1.80000000 1.80000000 -3.60000000 29
Cu -3.60000000 0.00000000 0.00000000 29
Cu -1.80000000 1.80000000 0.00000000 29
Cu -1.80000000 3.60000000 -5.40000000 29
Cu -3.60000000 3.60000000 -3.60000000 29
Cu -3.60000000 5.40000000 -1.80000000 29
Cu -1.80000000 3.60000000 -1.80000000 29
Cu -1.80000000 5.40000000 -3.60000000 29
Cu -3.60000000 3.60000000 0.00000000 29
Cu -1.80000000 5.40000000 0.00000000 29
Cu 0.00000000 -5.40000000 -1.80000000 29
Cu 1.80000000 -5.40000000 -3.60000000 29
Cu 0.00000000 -7.20000000 0.00000000 29
Cu 1.80000000 -5.40000000 0.00000000 29
Cu 0.00000000 -1.80000000 -5.40000000 29
Cu 1.80000000 -3.60000000 -5.40000000 29
Cu 0.00000000 -3.60000000 -3.60000000 29
Cu 0.00000000 -1.80000000 -1.80000000 29
Cu 1.80000000 -3.60000000 -1.80000000 29
Cu 1.80000000 -1.80000000 -3.60000000 29
Cu 0.00000000 -3.60000000 0.00000000 29
Cu 1.80000000 -1.80000000 0.00000000 29
Cu 0.00000000 0.00000000 -7.20000000 29
Cu 0.00000000 1.80000000 -5.40000000 29
Cu 1.80000000 0.00000000 -5.40000000 29
Cu 0.00000000 0.00000000 -3.60000000 29
Cu 0.00000000 1.80000000 -1.80000000 29
Cu 1.80000000 0.00000000 -1.80000000 29
Cu 1.80000000 1.80000000 -3.60000000 29
Cu 0.00000000 0.00000000 0.00000000 29
Cu 1.80000000 1.80000000 0.00000000 29
Cu 1.80000000 3.60000000 -5.40000000 29
Cu 0.00000000 3.60000000 -3.60000000 29
Cu 0.00000000 5.40000000 -1.80000000 29
Cu 1.80000000 3.60000000 -1.80000000 29
Cu 1.80000000 5.40000000 -3.60000000 29
Cu 0.00000000 3.60000000 0.00000000 29
Cu 1.80000000 5.40000000 0.00000000 29
Cu 0.00000000 7.20000000 0.00000000 29
Cu 3.60000000 -5.40000000 -1.80000000 29
Cu 3.60000000 -1.80000000 -5.40000000 29
Cu 3.60000000 -3.60000000 -3.60000000 29
Cu 3.60000000 -1.80000000 -1.80000000 29
Cu 5.40000000 -3.60000000 -1.80000000 29
Cu 5.40000000 -1.80000000 -3.60000000 29
Cu 3.60000000 -3.60000000 0.00000000 29
Cu 5.40000000 -1.80000000 0.00000000 29
Cu 3.60000000 1.80000000 -5.40000000 29
Cu 3.60000000 0.00000000 -3.60000000 29
Cu 3.60000000 1.80000000 -1.80000000 29
Cu 5.40000000 0.00000000 -1.80000000 29
Cu 5.40000000 1.80000000 -3.60000000 29
Cu 3.60000000 0.00000000 0.00000000 29
Cu 5.40000000 1.80000000 0.00000000 29
Cu 3.60000000 3.60000000 -3.60000000 29
Cu 3.60000000 5.40000000 -1.80000000 29
Cu 5.40000000 3.60000000 -1.80000000 29
Cu 3.60000000 3.60000000 0.00000000 29
Cu 7.20000000 0.00000000 0.00000000 29