mirror of https://gitlab.com/QEF/q-e.git
42 lines
2.7 KiB
Plaintext
42 lines
2.7 KiB
Plaintext
ANIMSTEPS 5
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CRYSTAL
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PRIMVEC
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5.7269022594 0.0000000000 0.0000000000
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0.0000000000 5.7269022594 0.0000000000
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0.0000000000 0.0000000000 12.0000047284
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PRIMCOORD 1
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5 1
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Al 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000
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Al 2.8634511297 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000
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Al 0.0000000000 2.8634511297 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000
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Al 2.8634511297 2.8634511297 0.0000000000 0.0000000000 0.0000000000 0.0000000000
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H 0.0000000000 0.0000000000 1.6460341083 -0.0000000000 -0.0000000000 -0.0002361883
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PRIMCOORD 2
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5 1
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Al 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000
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Al 2.8634511297 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000
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Al 0.0000000000 2.8634511297 0.0000000000 0.0000000000 -0.0000000000 0.0000000000
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Al 2.8634511297 2.8634511297 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000
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H 0.7451333082 0.7451333082 1.3150827392 0.0000000000 0.0000000000 -0.0000876181
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PRIMCOORD 3
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5 1
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Al 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000
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Al 2.8634511297 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000
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Al 0.0000000000 2.8634511297 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000
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Al 2.8634511297 2.8634511297 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000
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H 1.4317579518 1.4317579518 0.7879050536 0.0000000000 0.0000000000 -0.0002313532
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PRIMCOORD 4
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5 1
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Al 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
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Al 2.8634511297 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000
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Al 0.0000000000 2.8634511297 0.0000000000 0.0000000000 -0.0000000000 0.0000000000
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Al 2.8634511297 2.8634511297 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000
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H 2.1184647597 2.1184647597 1.3152116370 -0.0000000000 -0.0000000000 0.0000037250
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PRIMCOORD 5
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5 1
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Al 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
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Al 2.8634511297 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000
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Al 0.0000000000 2.8634511297 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000
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Al 2.8634511297 2.8634511297 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000
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H 2.8634511297 2.8634511297 1.6460341083 0.0000000000 -0.0000000000 -0.0002237136
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