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 -0.0007270471
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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 0.7423394543 0.7423394543 1.3108758296 0.0000000000 0.0000000000 0.0011655470
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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 1.4317741236 1.4317741236 0.7728836446 0.0000000000 0.0000000000 0.0005353013
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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 2.1210280896 2.1210280896 1.3108014290 -0.0000000000 -0.0000000000 0.0011606418
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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 -0.0007039130
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