msspec_python3/msspec/es/cluster_examples/mgo.xyz

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2019-11-14 15:16:51 +01:00
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Lattice="4.21 0.0 0.0 0.0 4.21 0.0 0.0 0.0 4.21" Properties=species:S:1:pos:R:3:Z:I:1:tags:I:1 pbc="T T T"
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O -2.10500000 12.63000000 -6.31500000 8 0
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O -2.10500000 10.52500000 0.00000000 8 0
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O -2.10500000 12.63000000 -2.10500000 8 0
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O 4.21000000 -12.63000000 -4.21000000 8 0
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O 4.21000000 -12.63000000 0.00000000 8 0
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O 2.10500000 -8.42000000 -10.52500000 8 0
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O 2.10500000 -10.52500000 -4.21000000 8 0
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O 2.10500000 -8.42000000 -6.31500000 8 0
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O 2.10500000 -10.52500000 0.00000000 8 0
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O 2.10500000 -4.21000000 -6.31500000 8 0
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O 4.21000000 -6.31500000 -2.10500000 8 0
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O 2.10500000 -4.21000000 -2.10500000 8 0
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O 2.10500000 -2.10500000 -12.63000000 8 0
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O 2.10500000 -2.10500000 -8.42000000 8 0
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O 2.10500000 0.00000000 -6.31500000 8 0
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O 2.10500000 -2.10500000 0.00000000 8 0
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O 2.10500000 0.00000000 -2.10500000 8 0
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O 2.10500000 2.10500000 -12.63000000 8 0
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O 2.10500000 2.10500000 -8.42000000 8 0
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O 2.10500000 2.10500000 -4.21000000 8 0
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O 2.10500000 4.21000000 -6.31500000 8 0
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O 2.10500000 2.10500000 0.00000000 8 0
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O 2.10500000 4.21000000 -2.10500000 8 0
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O 2.10500000 6.31500000 -12.63000000 8 0
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O 2.10500000 6.31500000 -8.42000000 8 0
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O 2.10500000 8.42000000 -10.52500000 8 0
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O 2.10500000 6.31500000 -4.21000000 8 0
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O 2.10500000 8.42000000 -6.31500000 8 0
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O 4.21000000 8.42000000 0.00000000 8 0
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O 2.10500000 8.42000000 -2.10500000 8 0
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O 2.10500000 10.52500000 -8.42000000 8 0
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O 6.31500000 -12.63000000 -2.10500000 8 0
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O 8.42000000 -2.10500000 -6.31500000 8 0
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O 6.31500000 -2.10500000 -4.21000000 8 0
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Mg 10.52500000 -8.42000000 0.00000000 12 1
O 10.52500000 -8.42000000 -2.10500000 8 0
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Mg 10.52500000 -6.31500000 -6.31500000 12 1
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O 10.52500000 -2.10500000 -8.42000000 8 0
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O 12.63000000 -2.10500000 -2.10500000 8 0
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O 10.52500000 0.00000000 -2.10500000 8 0
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O 10.52500000 2.10500000 0.00000000 8 0
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O 10.52500000 4.21000000 -2.10500000 8 0
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O 10.52500000 6.31500000 -4.21000000 8 0
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O 12.63000000 6.31500000 -2.10500000 8 0
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Mg 12.63000000 6.31500000 0.00000000 12 1
O 10.52500000 6.31500000 0.00000000 8 0
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