mirror of https://gitlab.com/QEF/q-e.git
42 lines
2.4 KiB
Plaintext
42 lines
2.4 KiB
Plaintext
ANIMSTEPS 7
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CRYSTAL
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PRIMVEC
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6.3501265031 0.0000000000 0.0000000000
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0.0000000000 2.6458860429 0.0000000000
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0.0000000000 0.0000000000 2.6458860429
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PRIMCOORD 1
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3 1
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H -2.4165936061 0.0000000000 0.0000000000 -0.0004988244 0.0000000000 0.0000000000
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H 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
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H 0.8243346657 0.0000000000 0.0000000000 0.0001471169 0.0000000000 0.0000000000
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PRIMCOORD 2
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3 1
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H -1.8714888224 0.0000000000 0.0000000000 -0.0048498460 0.0000000000 0.0000000000
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H 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
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H 0.8349543465 0.0000000000 0.0000000000 -0.0011321616 0.0000000000 0.0000000000
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PRIMCOORD 3
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3 1
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H -1.4066572968 0.0000000000 0.0000000000 -0.0086866838 0.0000000000 0.0000000000
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H 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
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H 0.8818770137 0.0000000000 0.0000000000 -0.0052976192 0.0000000000 0.0000000000
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PRIMCOORD 4
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3 1
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H -1.0525833550 0.0000000000 0.0000000000 0.0006360705 -0.0000000000 0.0000000000
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H 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
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H 1.0525658480 0.0000000000 0.0000000000 -0.0006360705 0.0000000000 0.0000000000
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PRIMCOORD 5
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3 1
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H -0.8818808868 0.0000000000 0.0000000000 0.0052979215 0.0000000000 0.0000000000
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H 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000
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H 1.4066399123 0.0000000000 0.0000000000 0.0086865992 0.0000000000 0.0000000000
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PRIMCOORD 6
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3 1
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H -0.8349547292 0.0000000000 0.0000000000 0.0011321724 0.0000000000 0.0000000000
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H 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000
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H 1.8714775765 0.0000000000 0.0000000000 0.0048499994 0.0000000000 0.0000000000
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PRIMCOORD 7
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3 1
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H -0.8243346657 0.0000000000 0.0000000000 -0.0001422729 0.0000000000 0.0000000000
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H 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000
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H 2.4165936061 0.0000000000 0.0000000000 0.0004329512 0.0000000000 0.0000000000
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