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POSCAR_PBEsol+D3.vasp
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POSCAR_PBEsol+D3.vasp
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MAPSI
1.00000000000000
17.6573378295673784 0.0000000000000000 0.0000000000000000
0.0000000000000000 6.1339996948377973 0.0000000000000000
0.0000000000000000 0.0000000000000000 6.3877227663080287
Pb I S C N H
2 4 4 8 8 24
Direct
0.5000000000000000 0.3782642174470222 0.2154628586524767
0.0000000000000000 0.6217358125529875 0.7154628876524693
0.5000000000000000 0.8727673906489187 0.3027245326838844
0.0000000000000000 0.1272326093510743 0.8027245326838853
0.5000000000000000 0.3377058890379200 0.7299332421827510
0.0000000000000000 0.6622941409620537 0.2299332121827485
0.3348975466234376 0.3172254579447629 0.2250383835345603
0.1651024533765695 0.6827745120552350 0.7250383685345412
0.8348975166234360 0.6827745120552350 0.7250383685345412
0.6651024833765640 0.3172254579447629 0.2250383835345603
0.3082999247795777 0.5668627277595416 0.2699280576738841
0.1917000752204366 0.4331372722404722 0.7699280576738911
0.8082999547795587 0.4331372722404722 0.7699280576738911
0.6917000452204413 0.5668627277595416 0.2699280576738841
0.3624750800102700 0.8474314139278745 0.8094631837400608
0.1375249199897370 0.1525685710721132 0.3094631837400672
0.8624750800102493 0.1525685710721132 0.3094631837400672
0.6375249199897507 0.8474314139278745 0.8094631837400608
0.2881796497405689 0.7483340903996311 0.3020748946922122
0.2118203502594453 0.2516659096003617 0.8020749246922075
0.7881796797405431 0.2516659096003617 0.8020749246922075
0.7118203202594569 0.7483340903996311 0.3020748946922122
0.3330959917476565 0.0000511232327129 0.6507917949537936
0.1669040082523434 0.9999488807672658 0.1507917949538009
0.8330959917476630 0.9999488807672658 0.1507917949538009
0.6669040082523370 0.0000511232327129 0.6507917949537936
0.2863647692120571 0.0912272275311783 0.7074598193659333
0.2136352307879357 0.9087728024688311 0.2074598193659336
0.7863647392120615 0.9087728024688311 0.2074598193659336
0.7136352607879385 0.0912272275311783 0.7074598193659333
0.3159339381236137 0.9152268477794850 0.5145031931408199
0.1840660618763859 0.0847731482205221 0.0145031931408194
0.8159339381236210 0.0847731482205221 0.0145031931408194
0.6840660618763790 0.9152268477794850 0.5145031931408199
0.3749349778654792 0.1104184730765431 0.6082570640802359
0.1250650221345139 0.8895815349234716 0.1082570640802502
0.8749349478654767 0.8895815349234716 0.1082570640802502
0.6250650521345233 0.1104184730765431 0.6082570640802359
0.3810149986285572 0.9381099725186763 0.9487554515460961
0.1189850013714498 0.0618900494813256 0.4487554515461030
0.8810149686285549 0.0618900494813256 0.4487554515461030
0.6189850313714451 0.9381099725186763 0.9487554515460961
0.4109395420725523 0.7576279976262609 0.7438741991405086
0.0890604579274405 0.2423719873737270 0.2438741991404944
0.9109395720725408 0.2423719873737270 0.2438741991404944
0.5890604279274592 0.7576279976262609 0.7438741991405086
0.3173728687350260 0.7325742202549140 0.8529686998723397
0.1826271312649737 0.2674257947450768 0.3529686998723400
0.8173728687350194 0.2674257947450768 0.3529686998723400
0.6826271312649806 0.7325742202549140 0.8529686998723397