mirror of https://github.com/QMCPACK/qmcpack.git
56 lines
2.4 KiB
Plaintext
56 lines
2.4 KiB
Plaintext
CRYSTAL
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PRIMVEC
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4.55460000 -4.55460000 0.00000000
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4.55460000 4.55460000 0.00000000
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0.00000000 0.00000000 11.41120000
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PRIMCOORD
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48 1
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8 1.36683546 1.36683546 0.00000000
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8 3.18776454 3.18776454 0.00000000
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8 3.64413546 0.91046454 1.42640000
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8 5.46506454 -0.91046454 1.42640000
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8 1.36683546 1.36683546 2.85280000
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8 3.18776454 3.18776454 2.85280000
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8 3.64413546 0.91046454 4.27920000
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8 5.46506454 -0.91046454 4.27920000
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8 5.92143546 1.36683546 0.00000000
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8 3.18776454 -1.36683546 0.00000000
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8 3.64413546 -3.64413546 1.42640000
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8 0.91046454 -0.91046454 1.42640000
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8 5.92143546 1.36683546 2.85280000
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8 3.18776454 -1.36683546 2.85280000
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8 3.64413546 -3.64413546 4.27920000
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8 0.91046454 -0.91046454 4.27920000
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8 1.36683546 1.36683546 5.70560000
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8 3.18776454 3.18776454 5.70560000
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8 3.64413546 0.91046454 7.13200000
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8 5.46506454 -0.91046454 7.13200000
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8 1.36683546 1.36683546 8.55840000
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8 3.18776454 3.18776454 8.55840000
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8 3.64413546 0.91046454 9.98480000
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8 5.46506454 -0.91046454 9.98480000
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8 5.92143546 1.36683546 5.70560000
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8 3.18776454 -1.36683546 5.70560000
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8 3.64413546 -3.64413546 7.13200000
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8 0.91046454 -0.91046454 7.13200000
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8 5.92143546 1.36683546 8.55840000
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8 3.18776454 -1.36683546 8.55840000
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8 3.64413546 -3.64413546 9.98480000
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8 0.91046454 -0.91046454 9.98480000
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23 0.00000000 0.00000000 0.00000000
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23 2.27730000 2.27730000 1.42640000
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23 0.00000000 0.00000000 2.85280000
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23 2.27730000 2.27730000 4.27920000
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23 4.55460000 0.00000000 0.00000000
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23 2.27730000 -2.27730000 1.42640000
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23 4.55460000 0.00000000 2.85280000
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23 2.27730000 -2.27730000 4.27920000
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23 0.00000000 0.00000000 5.70560000
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23 2.27730000 2.27730000 7.13200000
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23 0.00000000 0.00000000 8.55840000
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23 2.27730000 2.27730000 9.98480000
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23 4.55460000 0.00000000 5.70560000
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23 2.27730000 -2.27730000 7.13200000
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23 4.55460000 0.00000000 8.55840000
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23 2.27730000 -2.27730000 9.98480000
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