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 -0.0011747118
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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 0.7386216612 0.7386216612 1.3145009089 0.0000000000 0.0000000000 0.0005467939
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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 1.4317204441 1.4317204441 0.8040646602 -0.0000000000 -0.0000000000 -0.0010189683
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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 2.1248514471 2.1248514471 1.3144731173 -0.0000000000 -0.0000000000 0.0005575983
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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 -0.0011563747
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