mirror of https://github.com/phonopy/phonopy.git
20 lines
778 B
Plaintext
20 lines
778 B
Plaintext
$periodic 3
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$lattice
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10.357962933 0.0000000000 0.0000000000
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0.0000000000 10.357962933 0.0000000000
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0.0000000000 0.0000000000 10.357962933
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$coord
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2.58949092075 2.58949092075 2.58949092075 si
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-2.58949092075 -2.58949092075 2.58949092075 si
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-2.58949092075 2.58949092075 -2.58949092075 si
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2.58949092075 -2.58949092075 -2.58949092075 si
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0.00000000000 0.00000000000 0.00000000000 si
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5.17898184151 5.17898184151 0.00000000000 si
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5.17898184151 0.00000000000 5.17898184151 si
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0.00000000000 5.17898184151 5.17898184151 si
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# Test comment and make sure that $coordinateupdate is skipped
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$coordinateupdate statistics on
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$title
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TURBOMOLE-test
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$end
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