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mesh.yaml
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mesh.yaml
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mesh: [ 1, 1, 1 ]
nqpoint: 1
reciprocal_lattice:
- [ 0.20519429, 0.11846898, 0.00000000 ] # a*
- [ 0.00000000, 0.23693796, 0.00000000 ] # b*
- [ 0.00000000, 0.00000000, 0.18607456 ] # c*
natom: 9
lattice:
- [ 4.873429876587434, 0.000000000000000, 0.000000000000000 ] # a
- [ -2.436714938293717, 4.220514076686779, 0.000000000000000 ] # b
- [ 0.000000000000000, 0.000000000000000, 5.374189819951033 ] # c
points:
- symbol: Si # 1
coordinates: [ 0.464682951386930, 0.000000000000000, 0.666666666666667 ]
mass: 28.085500
- symbol: Si # 2
coordinates: [ 0.000000000000000, 0.464682951386930, 0.333333333333333 ]
mass: 28.085500
- symbol: Si # 3
coordinates: [ 0.535317048613070, 0.535317048613070, 0.000000000000000 ]
mass: 28.085500
- symbol: O # 4
coordinates: [ 0.135487870633840, 0.723982511991845, 0.554188772932831 ]
mass: 15.999400
- symbol: O # 5
coordinates: [ 0.276017488008155, 0.411505358641995, 0.220855439599497 ]
mass: 15.999400
- symbol: O # 6
coordinates: [ 0.588494641358005, 0.864512129366160, 0.887522106266164 ]
mass: 15.999400
- symbol: O # 7
coordinates: [ 0.411505358641995, 0.276017488008155, 0.779144560400503 ]
mass: 15.999400
- symbol: O # 8
coordinates: [ 0.864512129366160, 0.588494641358005, 0.112477893733836 ]
mass: 15.999400
- symbol: O # 9
coordinates: [ 0.723982511991845, 0.135487870633840, 0.445811227067169 ]
mass: 15.999400
phonon:
- q-position: [ 0.0000000, 0.0000000, 0.0000000 ]
weight: 1
band:
- # 1
frequency: -0.0000003363
eigenvector:
- # atom 1
- [ 0.39472961829055, 0.00000000000000 ]
- [ -0.00036396843208, 0.00000000000000 ]
- [ -0.00019019003942, 0.00000000000000 ]
- # atom 2
- [ 0.39472961829055, 0.00000000000000 ]
- [ -0.00036396843208, 0.00000000000000 ]
- [ -0.00019019003942, 0.00000000000000 ]
- # atom 3
- [ 0.39472961829055, 0.00000000000000 ]
- [ -0.00036396843208, 0.00000000000000 ]
- [ -0.00019019003942, 0.00000000000000 ]
- # atom 4
- [ 0.29792742487791, 0.00000000000000 ]
- [ -0.00027471001081, 0.00000000000000 ]
- [ -0.00014354845964, 0.00000000000000 ]
- # atom 5
- [ 0.29792742487790, 0.00000000000000 ]
- [ -0.00027471001080, 0.00000000000000 ]
- [ -0.00014354845965, 0.00000000000000 ]
- # atom 6
- [ 0.29792742487791, 0.00000000000000 ]
- [ -0.00027471001080, 0.00000000000000 ]
- [ -0.00014354845964, 0.00000000000000 ]
- # atom 7
- [ 0.29792742487791, 0.00000000000000 ]
- [ -0.00027471001080, 0.00000000000000 ]
- [ -0.00014354845964, 0.00000000000000 ]
- # atom 8
- [ 0.29792742487790, 0.00000000000000 ]
- [ -0.00027471001080, 0.00000000000000 ]
- [ -0.00014354845964, 0.00000000000000 ]
- # atom 9
- [ 0.29792742487791, 0.00000000000000 ]
- [ -0.00027471001080, 0.00000000000000 ]
- [ -0.00014354845964, 0.00000000000000 ]
- # 2
frequency: -0.0000001779
eigenvector:
- # atom 1
- [ 0.00031630852797, 0.00000000000000 ]
- [ 0.38605253654247, 0.00000000000000 ]
- [ -0.08231026168779, 0.00000000000000 ]
- # atom 2
- [ 0.00031630852798, 0.00000000000000 ]
- [ 0.38605253654247, 0.00000000000000 ]
- [ -0.08231026168779, 0.00000000000000 ]
- # atom 3
- [ 0.00031630852798, 0.00000000000000 ]
- [ 0.38605253654247, 0.00000000000000 ]
- [ -0.08231026168779, 0.00000000000000 ]
- # atom 4
- [ 0.00023873806484, 0.00000000000000 ]
- [ 0.29137828212076, 0.00000000000000 ]
- [ -0.06212476381141, 0.00000000000000 ]
- # atom 5
- [ 0.00023873806484, 0.00000000000000 ]
- [ 0.29137828212076, 0.00000000000000 ]
- [ -0.06212476381141, 0.00000000000000 ]
- # atom 6
- [ 0.00023873806484, 0.00000000000000 ]
- [ 0.29137828212076, 0.00000000000000 ]
- [ -0.06212476381141, 0.00000000000000 ]
- # atom 7
- [ 0.00023873806484, 0.00000000000000 ]
- [ 0.29137828212076, 0.00000000000000 ]
- [ -0.06212476381141, 0.00000000000000 ]
- # atom 8
- [ 0.00023873806484, 0.00000000000000 ]
- [ 0.29137828212076, 0.00000000000000 ]
- [ -0.06212476381141, 0.00000000000000 ]
- # atom 9
- [ 0.00023873806484, 0.00000000000000 ]
- [ 0.29137828212076, 0.00000000000000 ]
- [ -0.06212476381141, 0.00000000000000 ]
- # 3
frequency: 0.0000004460
eigenvector:
- # atom 1
- [ -0.00026190491743, 0.00000000000000 ]
- [ -0.08231006473802, 0.00000000000000 ]
- [ -0.38605261927581, 0.00000000000000 ]
- # atom 2
- [ -0.00026190491743, 0.00000000000000 ]
- [ -0.08231006473802, 0.00000000000000 ]
- [ -0.38605261927581, 0.00000000000000 ]
- # atom 3
- [ -0.00026190491743, 0.00000000000000 ]
- [ -0.08231006473802, 0.00000000000000 ]
- [ -0.38605261927581, 0.00000000000000 ]
- # atom 4
- [ -0.00019767621682, 0.00000000000000 ]
- [ -0.06212461516096, 0.00000000000000 ]
- [ -0.29137834456484, 0.00000000000000 ]
- # atom 5
- [ -0.00019767621682, 0.00000000000000 ]
- [ -0.06212461516096, 0.00000000000000 ]
- [ -0.29137834456484, 0.00000000000000 ]
- # atom 6
- [ -0.00019767621682, 0.00000000000000 ]
- [ -0.06212461516096, 0.00000000000000 ]
- [ -0.29137834456484, 0.00000000000000 ]
- # atom 7
- [ -0.00019767621682, 0.00000000000000 ]
- [ -0.06212461516096, 0.00000000000000 ]
- [ -0.29137834456484, 0.00000000000000 ]
- # atom 8
- [ -0.00019767621682, 0.00000000000000 ]
- [ -0.06212461516096, 0.00000000000000 ]
- [ -0.29137834456484, 0.00000000000000 ]
- # atom 9
- [ -0.00019767621682, 0.00000000000000 ]
- [ -0.06212461516096, 0.00000000000000 ]
- [ -0.29137834456484, 0.00000000000000 ]
- # 4
frequency: 3.8184286454
eigenvector:
- # atom 1
- [ 0.00000087370971, 0.00000000000000 ]
- [ -0.13696312510045, 0.00000000000000 ]
- [ -0.05828648873957, 0.00000000000000 ]
- # atom 2
- [ -0.10799919482574, 0.00000000000000 ]
- [ 0.05009512429979, 0.00000000000000 ]
- [ 0.02914363657207, 0.00000000000000 ]
- # atom 3
- [ 0.10799803541003, 0.00000000000000 ]
- [ 0.05009680256183, 0.00000000000000 ]
- [ 0.02914285216750, 0.00000000000000 ]
- # atom 4
- [ -0.07476452403937, 0.00000000000000 ]
- [ -0.22902495885622, 0.00000000000000 ]
- [ 0.27748740577838, 0.00000000000000 ]
- # atom 5
- [ -0.02696779045548, 0.00000000000000 ]
- [ 0.27285857102589, 0.00000000000000 ]
- [ 0.05812486478953, 0.00000000000000 ]
- # atom 6
- [ 0.38377772937149, 0.00000000000000 ]
- [ -0.01947637941673, 0.00000000000000 ]
- [ -0.33561227056791, 0.00000000000000 ]
- # atom 7
- [ 0.07476833533638, 0.00000000000000 ]
- [ -0.22902087508602, 0.00000000000000 ]
- [ 0.27748387320287, 0.00000000000000 ]
- # atom 8
- [ 0.02696380265753, 0.00000000000000 ]
- [ 0.27286191199037, 0.00000000000000 ]
- [ 0.05813036540760, 0.00000000000000 ]
- # atom 9
- [ -0.38377717433333, 0.00000000000000 ]
- [ -0.01947942126375, 0.00000000000000 ]
- [ -0.33561423861046, 0.00000000000000 ]
- # 5
frequency: 3.8184286454
eigenvector:
- # atom 1
- [ -0.11244899294122, 0.00000000000000 ]
- [ -0.00000106418038, 0.00000000000000 ]
- [ -0.00000045287619, 0.00000000000000 ]
- # atom 2
- [ 0.07460925645901, 0.00000000000000 ]
- [ 0.10799900435507, 0.00000000000000 ]
- [ -0.05047735350777, 0.00000000000000 ]
- # atom 3
- [ 0.07461093472105, 0.00000000000000 ]
- [ -0.10799822588070, 0.00000000000000 ]
- [ 0.05047780638396, 0.00000000000000 ]
- # atom 4
- [ -0.24526311402484, 0.00000000000000 ]
- [ 0.26279480062380, 0.00000000000000 ]
- [ -0.22732424108857, 0.00000000000000 ]
- # atom 5
- [ 0.25662041585726, 0.00000000000000 ]
- [ 0.21499806703991, 0.00000000000000 ]
- [ 0.35397326317860, 0.00000000000000 ]
- # atom 6
- [ -0.03571453458536, 0.00000000000000 ]
- [ -0.19574745278706, 0.00000000000000 ]
- [ -0.12664902209004, 0.00000000000000 ]
- # atom 7
- [ -0.24526195217975, 0.00000000000000 ]
- [ -0.26279835956266, 0.00000000000000 ]
- [ 0.22732855312179, 0.00000000000000 ]
- # atom 8
- [ 0.25662083489664, 0.00000000000000 ]
- [ -0.21499382688381, 0.00000000000000 ]
- [ -0.35397235989508, 0.00000000000000 ]
- # atom 9
- [ -0.03572049835748, 0.00000000000000 ]
- [ 0.19574715010706, 0.00000000000000 ]
- [ 0.12664380677329, 0.00000000000000 ]
- # 6
frequency: 6.7008537712
eigenvector:
- # atom 1
- [ 0.27787297153450, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- # atom 2
- [ -0.13893648576725, 0.00000000000000 ]
- [ 0.24064505237395, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- # atom 3
- [ -0.13893648576725, 0.00000000000000 ]
- [ -0.24064505237395, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- # atom 4
- [ 0.05064885951031, 0.00000000000000 ]
- [ 0.29444190274816, 0.00000000000000 ]
- [ -0.19697368212101, 0.00000000000000 ]
- # atom 5
- [ -0.28031859747369, 0.00000000000000 ]
- [ -0.10335775236544, 0.00000000000000 ]
- [ -0.19697368212101, 0.00000000000000 ]
- # atom 6
- [ 0.22966973796338, 0.00000000000000 ]
- [ -0.19108415038271, 0.00000000000000 ]
- [ -0.19697368212101, 0.00000000000000 ]
- # atom 7
- [ 0.05064885951031, 0.00000000000000 ]
- [ -0.29444190274816, 0.00000000000000 ]
- [ 0.19697368212101, 0.00000000000000 ]
- # atom 8
- [ -0.28031859747369, 0.00000000000000 ]
- [ 0.10335775236545, 0.00000000000000 ]
- [ 0.19697368212101, 0.00000000000000 ]
- # atom 9
- [ 0.22966973796338, 0.00000000000000 ]
- [ 0.19108415038271, 0.00000000000000 ]
- [ 0.19697368212101, 0.00000000000000 ]
- # 7
frequency: 7.6470896853
eigenvector:
- # atom 1
- [ -0.01955933548788, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- # atom 2
- [ 0.08651161372655, 0.00000000000000 ]
- [ 0.06124009108215, 0.00000000000000 ]
- [ -0.20471692361887, 0.00000000000000 ]
- # atom 3
- [ 0.08651161372655, 0.00000000000000 ]
- [ -0.06124009108215, 0.00000000000000 ]
- [ 0.20471692361887, 0.00000000000000 ]
- # atom 4
- [ 0.12968288373420, 0.00000000000000 ]
- [ 0.02241541765516, 0.00000000000000 ]
- [ -0.17769081711785, 0.00000000000000 ]
- # atom 5
- [ 0.09008021616296, 0.00000000000000 ]
- [ -0.47561643978374, 0.00000000000000 ]
- [ 0.02817121635084, 0.00000000000000 ]
- # atom 6
- [ -0.32142669048745, 0.00000000000000 ]
- [ -0.19230359488997, 0.00000000000000 ]
- [ 0.14951960076701, 0.00000000000000 ]
- # atom 7
- [ 0.12968288373419, 0.00000000000000 ]
- [ -0.02241541765516, 0.00000000000000 ]
- [ 0.17769081711785, 0.00000000000000 ]
- # atom 8
- [ 0.09008021616297, 0.00000000000000 ]
- [ 0.47561643978373, 0.00000000000000 ]
- [ -0.02817121635085, 0.00000000000000 ]
- # atom 9
- [ -0.32142669048746, 0.00000000000000 ]
- [ 0.19230359488998, 0.00000000000000 ]
- [ -0.14951960076701, 0.00000000000000 ]
- # 8
frequency: 7.6470896853
eigenvector:
- # atom 1
- [ 0.00000000000000, 0.00000000000000 ]
- [ 0.12186859679803, 0.00000000000000 ]
- [ 0.23638674191805, 0.00000000000000 ]
- # atom 2
- [ 0.06124009108215, 0.00000000000000 ]
- [ 0.01579764758360, 0.00000000000000 ]
- [ -0.11819337095902, 0.00000000000000 ]
- # atom 3
- [ -0.06124009108215, 0.00000000000000 ]
- [ 0.01579764758360, 0.00000000000000 ]
- [ -0.11819337095903, 0.00000000000000 ]
- # atom 4
- [ 0.45275182900086, 0.00000000000000 ]
- [ -0.19745861079439, 0.00000000000000 ]
- [ 0.07006052240840, 0.00000000000000 ]
- # atom 5
- [ -0.04528002843803, 0.00000000000000 ]
- [ -0.15785594322316, 0.00000000000000 ]
- [ -0.18891502284747, 0.00000000000000 ]
- # atom 6
- [ 0.23803281645573, 0.00000000000000 ]
- [ 0.25365096342726, 0.00000000000000 ]
- [ 0.11885450043908, 0.00000000000000 ]
- # atom 7
- [ -0.45275182900086, 0.00000000000000 ]
- [ -0.19745861079439, 0.00000000000000 ]
- [ 0.07006052240839, 0.00000000000000 ]
- # atom 8
- [ 0.04528002843803, 0.00000000000000 ]
- [ -0.15785594322316, 0.00000000000000 ]
- [ -0.18891502284747, 0.00000000000000 ]
- # atom 9
- [ -0.23803281645572, 0.00000000000000 ]
- [ 0.25365096342726, 0.00000000000000 ]
- [ 0.11885450043908, 0.00000000000000 ]
- # 9
frequency: 10.1035398322
eigenvector:
- # atom 1
- [ 0.40031021943024, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- # atom 2
- [ -0.20015510971512, 0.00000000000000 ]
- [ 0.34667881942111, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- # atom 3
- [ -0.20015510971512, 0.00000000000000 ]
- [ -0.34667881942111, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- # atom 4
- [ 0.16650547352896, 0.00000000000000 ]
- [ -0.06040341316880, 0.00000000000000 ]
- [ 0.23488270634293, 0.00000000000000 ]
- # atom 5
- [ -0.03094184648501, 0.00000000000000 ]
- [ 0.17439967652964, 0.00000000000000 ]
- [ 0.23488270634293, 0.00000000000000 ]
- # atom 6
- [ -0.13556362704395, 0.00000000000000 ]
- [ -0.11399626336084, 0.00000000000000 ]
- [ 0.23488270634293, 0.00000000000000 ]
- # atom 7
- [ 0.16650547352896, 0.00000000000000 ]
- [ 0.06040341316880, 0.00000000000000 ]
- [ -0.23488270634293, 0.00000000000000 ]
- # atom 8
- [ -0.03094184648501, 0.00000000000000 ]
- [ -0.17439967652964, 0.00000000000000 ]
- [ -0.23488270634293, 0.00000000000000 ]
- # atom 9
- [ -0.13556362704395, 0.00000000000000 ]
- [ 0.11399626336084, 0.00000000000000 ]
- [ -0.23488270634293, 0.00000000000000 ]
- # 10
frequency: 10.2390822558
eigenvector:
- # atom 1
- [ 0.00000000000000, 0.00000000000000 ]
- [ 0.05909951017463, 0.00000000000000 ]
- [ 0.18584929898441, 0.00000000000000 ]
- # atom 2
- [ -0.05118167716245, 0.00000000000000 ]
- [ -0.02954975508732, 0.00000000000000 ]
- [ 0.18584929898441, 0.00000000000000 ]
- # atom 3
- [ 0.05118167716245, 0.00000000000000 ]
- [ -0.02954975508731, 0.00000000000000 ]
- [ 0.18584929898441, 0.00000000000000 ]
- # atom 4
- [ -0.21632884533560, 0.00000000000000 ]
- [ 0.29273570900298, 0.00000000000000 ]
- [ -0.12311760637300, 0.00000000000000 ]
- # atom 5
- [ -0.14535213792363, 0.00000000000000 ]
- [ -0.33371413013347, 0.00000000000000 ]
- [ -0.12311760637300, 0.00000000000000 ]
- # atom 6
- [ 0.36168098325923, 0.00000000000000 ]
- [ 0.04097842113050, 0.00000000000000 ]
- [ -0.12311760637301, 0.00000000000000 ]
- # atom 7
- [ 0.21632884533560, 0.00000000000000 ]
- [ 0.29273570900298, 0.00000000000000 ]
- [ -0.12311760637301, 0.00000000000000 ]
- # atom 8
- [ 0.14535213792363, 0.00000000000000 ]
- [ -0.33371413013348, 0.00000000000000 ]
- [ -0.12311760637300, 0.00000000000000 ]
- # atom 9
- [ -0.36168098325923, 0.00000000000000 ]
- [ 0.04097842113050, 0.00000000000000 ]
- [ -0.12311760637300, 0.00000000000000 ]
- # 11
frequency: 11.2179361233
eigenvector:
- # atom 1
- [ 0.00000000000000, 0.00000000000000 ]
- [ -0.38066523861614, 0.00000000000000 ]
- [ 0.23910986180495, 0.00000000000000 ]
- # atom 2
- [ -0.21063362681314, 0.00000000000000 ]
- [ -0.01583709519327, 0.00000000000000 ]
- [ -0.11955493090248, 0.00000000000000 ]
- # atom 3
- [ 0.21063362681314, 0.00000000000000 ]
- [ -0.01583709519327, 0.00000000000000 ]
- [ -0.11955493090248, 0.00000000000000 ]
- # atom 4
- [ -0.22424258918935, 0.00000000000000 ]
- [ -0.02520688883210, 0.00000000000000 ]
- [ 0.00869530542236, 0.00000000000000 ]
- # atom 5
- [ -0.21330997177632, 0.00000000000000 ]
- [ 0.21362424602564, 0.00000000000000 ]
- [ -0.31301890709703, 0.00000000000000 ]
- # atom 6
- [ -0.01194245048137, 0.00000000000000 ]
- [ 0.08474075418723, 0.00000000000000 ]
- [ 0.30432360167468, 0.00000000000000 ]
- # atom 7
- [ 0.22424258918935, 0.00000000000000 ]
- [ -0.02520688883210, 0.00000000000000 ]
- [ 0.00869530542236, 0.00000000000000 ]
- # atom 8
- [ 0.21330997177632, 0.00000000000000 ]
- [ 0.21362424602564, 0.00000000000000 ]
- [ -0.31301890709703, 0.00000000000000 ]
- # atom 9
- [ 0.01194245048137, 0.00000000000000 ]
- [ 0.08474075418723, 0.00000000000000 ]
- [ 0.30432360167468, 0.00000000000000 ]
- # 12
frequency: 11.2179361233
eigenvector:
- # atom 1
- [ -0.10577228594768, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- # atom 2
- [ 0.25905585747518, 0.00000000000000 ]
- [ 0.21063362681314, 0.00000000000000 ]
- [ 0.20707521461848, 0.00000000000000 ]
- # atom 3
- [ 0.25905585747518, 0.00000000000000 ]
- [ -0.21063362681314, 0.00000000000000 ]
- [ -0.20707521461848, 0.00000000000000 ]
- # atom 4
- [ -0.20731229641928, 0.00000000000000 ]
- [ -0.07542075177534, 0.00000000000000 ]
- [ 0.35642286362155, 0.00000000000000 ]
- # atom 5
- [ 0.03151883843846, 0.00000000000000 ]
- [ -0.08635336918837, 0.00000000000000 ]
- [ -0.17068107642135, 0.00000000000000 ]
- # atom 6
- [ -0.09736465339995, 0.00000000000000 ]
- [ -0.28772089048333, 0.00000000000000 ]
- [ -0.18574178720020, 0.00000000000000 ]
- # atom 7
- [ -0.20731229641928, 0.00000000000000 ]
- [ 0.07542075177534, 0.00000000000000 ]
- [ -0.35642286362155, 0.00000000000000 ]
- # atom 8
- [ 0.03151883843846, 0.00000000000000 ]
- [ 0.08635336918837, 0.00000000000000 ]
- [ 0.17068107642135, 0.00000000000000 ]
- # atom 9
- [ -0.09736465339995, 0.00000000000000 ]
- [ 0.28772089048333, 0.00000000000000 ]
- [ 0.18574178720020, 0.00000000000000 ]
- # 13
frequency: 13.0408191519
eigenvector:
- # atom 1
- [ 0.21904082786144, 0.00000000000000 ]
- [ -0.00001219993754, 0.00000000000000 ]
- [ 0.00000862479744, 0.00000000000000 ]
- # atom 2
- [ 0.23199750364077, 0.00000000000000 ]
- [ 0.00746923219485, 0.00000000000000 ]
- [ 0.14467842897012, 0.00000000000000 ]
- # atom 3
- [ 0.23199827603445, 0.00000000000000 ]
- [ -0.00749229424484, 0.00000000000000 ]
- [ -0.14468705376756, 0.00000000000000 ]
- # atom 4
- [ -0.17370153729178, 0.00000000000000 ]
- [ 0.26310278246052, 0.00000000000000 ]
- [ -0.11294675276777, 0.00000000000000 ]
- # atom 5
- [ -0.06976009265470, 0.00000000000000 ]
- [ 0.16233986403694, 0.00000000000000 ]
- [ -0.25393916724743, 0.00000000000000 ]
- # atom 6
- [ -0.20899406208752, 0.00000000000000 ]
- [ 0.12270539168696, 0.00000000000000 ]
- [ 0.36688592001520, 0.00000000000000 ]
- # atom 7
- [ -0.17371210192692, 0.00000000000000 ]
- [ -0.26308957162497, 0.00000000000000 ]
- [ 0.11290974367003, 0.00000000000000 ]
- # atom 8
- [ -0.06978106168088, 0.00000000000000 ]
- [ -0.16231592171659, 0.00000000000000 ]
- [ 0.25396776957912, 0.00000000000000 ]
- # atom 9
- [ -0.20901912265663, 0.00000000000000 ]
- [ -0.12269582557597, 0.00000000000000 ]
- [ -0.36687751324914, 0.00000000000000 ]
- # 14
frequency: 13.0408191519
eigenvector:
- # atom 1
- [ 0.00001130805414, 0.00000000000000 ]
- [ 0.23631691049633, 0.00000000000000 ]
- [ -0.16706523935278, 0.00000000000000 ]
- # atom 2
- [ 0.00749274018654, 0.00000000000000 ]
- [ 0.22336023471700, 0.00000000000000 ]
- [ 0.08354008897008, 0.00000000000000 ]
- # atom 3
- [ -0.00746878625315, 0.00000000000000 ]
- [ 0.22335946232332, 0.00000000000000 ]
- [ 0.08352515038270, 0.00000000000000 ]
- # atom 4
- [ -0.10232924299576, 0.00000000000000 ]
- [ -0.12793559073089, 0.00000000000000 ]
- [ 0.35843353125075, 0.00000000000000 ]
- # atom 5
- [ -0.20309216141934, 0.00000000000000 ]
- [ -0.23187703536796, 0.00000000000000 ]
- [ -0.27703152279723, 0.00000000000000 ]
- # atom 6
- [ -0.24272663376932, 0.00000000000000 ]
- [ -0.09264306593514, 0.00000000000000 ]
- [ -0.08140200845353, 0.00000000000000 ]
- # atom 7
- [ 0.10231130765338, 0.00000000000000 ]
- [ -0.12796275558270, 0.00000000000000 ]
- [ 0.35844519116601, 0.00000000000000 ]
- # atom 8
- [ 0.20308495756176, 0.00000000000000 ]
- [ -0.23189379582874, 0.00000000000000 ]
- [ -0.27700530193604, 0.00000000000000 ]
- # atom 9
- [ 0.24270505370238, 0.00000000000000 ]
- [ -0.09265573485298, 0.00000000000000 ]
- [ -0.08143988922997, 0.00000000000000 ]
- # 15
frequency: 13.6394451480
eigenvector:
- # atom 1
- [ -0.14243459855568, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- # atom 2
- [ 0.07121729927784, 0.00000000000000 ]
- [ -0.12335198072706, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- # atom 3
- [ 0.07121729927784, 0.00000000000000 ]
- [ 0.12335198072706, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- # atom 4
- [ 0.35215689777205, 0.00000000000000 ]
- [ -0.09562289724799, 0.00000000000000 ]
- [ -0.15285496428730, 0.00000000000000 ]
- # atom 5
- [ -0.09326659068579, 0.00000000000000 ]
- [ 0.35278826821252, 0.00000000000000 ]
- [ -0.15285496428730, 0.00000000000000 ]
- # atom 6
- [ -0.25889030708626, 0.00000000000000 ]
- [ -0.25716537096452, 0.00000000000000 ]
- [ -0.15285496428730, 0.00000000000000 ]
- # atom 7
- [ 0.35215689777205, 0.00000000000000 ]
- [ 0.09562289724799, 0.00000000000000 ]
- [ 0.15285496428730, 0.00000000000000 ]
- # atom 8
- [ -0.09326659068580, 0.00000000000000 ]
- [ -0.35278826821251, 0.00000000000000 ]
- [ 0.15285496428730, 0.00000000000000 ]
- # atom 9
- [ -0.25889030708626, 0.00000000000000 ]
- [ 0.25716537096452, 0.00000000000000 ]
- [ 0.15285496428730, 0.00000000000000 ]
- # 16
frequency: 14.4510282000
eigenvector:
- # atom 1
- [ -0.00000000000000, 0.00000000000000 ]
- [ -0.20845569940121, 0.00000000000000 ]
- [ -0.21144517765051, 0.00000000000000 ]
- # atom 2
- [ 0.18052793124510, 0.00000000000000 ]
- [ 0.10422784970060, 0.00000000000000 ]
- [ -0.21144517765051, 0.00000000000000 ]
- # atom 3
- [ -0.18052793124510, 0.00000000000000 ]
- [ 0.10422784970060, 0.00000000000000 ]
- [ -0.21144517765051, 0.00000000000000 ]
- # atom 4
- [ -0.31018671760188, 0.00000000000000 ]
- [ -0.08215087698501, 0.00000000000000 ]
- [ 0.14007383559531, 0.00000000000000 ]
- # atom 5
- [ 0.22623810521313, 0.00000000000000 ]
- [ -0.22755413886723, 0.00000000000000 ]
- [ 0.14007383559531, 0.00000000000000 ]
- # atom 6
- [ 0.08394861238875, 0.00000000000000 ]
- [ 0.30970501585224, 0.00000000000000 ]
- [ 0.14007383559531, 0.00000000000000 ]
- # atom 7
- [ 0.31018671760188, 0.00000000000000 ]
- [ -0.08215087698501, 0.00000000000000 ]
- [ 0.14007383559531, 0.00000000000000 ]
- # atom 8
- [ -0.22623810521313, 0.00000000000000 ]
- [ -0.22755413886723, 0.00000000000000 ]
- [ 0.14007383559531, 0.00000000000000 ]
- # atom 9
- [ -0.08394861238875, 0.00000000000000 ]
- [ 0.30970501585224, 0.00000000000000 ]
- [ 0.14007383559531, 0.00000000000000 ]
- # 17
frequency: 20.7388004962
eigenvector:
- # atom 1
- [ -0.08997465302535, 0.00000000000000 ]
- [ -0.00097354473141, 0.00000000000000 ]
- [ -0.00263755982479, 0.00000000000000 ]
- # atom 2
- [ 0.15118939759452, 0.00000000000000 ]
- [ 0.13961311106921, 0.00000000000000 ]
- [ -0.54385261998573, 0.00000000000000 ]
- # atom 3
- [ 0.15235898764102, 0.00000000000000 ]
- [ -0.13953441114747, 0.00000000000000 ]
- [ 0.54649017981052, 0.00000000000000 ]
- # atom 4
- [ -0.17115007747699, 0.00000000000000 ]
- [ -0.18144324925385, 0.00000000000000 ]
- [ 0.01063714996595, 0.00000000000000 ]
- # atom 5
- [ -0.11767818291239, 0.00000000000000 ]
- [ 0.15503184086705, 0.00000000000000 ]
- [ -0.12942710121805, 0.00000000000000 ]
- # atom 6
- [ 0.14698184559067, 0.00000000000000 ]
- [ -0.05951372327483, 0.00000000000000 ]
- [ 0.11878995125210, 0.00000000000000 ]
- # atom 7
- [ -0.17218447574638, 0.00000000000000 ]
- [ 0.18079512205320, 0.00000000000000 ]
- [ -0.01183763889744, 0.00000000000000 ]
- # atom 8
- [ -0.11589493856422, 0.00000000000000 ]
- [ -0.15522008263851, 0.00000000000000 ]
- [ 0.12994579527572, 0.00000000000000 ]
- # atom 9
- [ 0.14695799616555, 0.00000000000000 ]
- [ 0.06153568887435, 0.00000000000000 ]
- [ -0.11810815637828, 0.00000000000000 ]
- # 18
frequency: 20.7388004962
eigenvector:
- # atom 1
- [ 0.00037698152497, 0.00000000000000 ]
- [ -0.23235714116548, 0.00000000000000 ]
- [ -0.62950970897134, 0.00000000000000 ]
- # atom 2
- [ -0.14020967427565, 0.00000000000000 ]
- [ 0.00880690945439, 0.00000000000000 ]
- [ 0.31703904829793, 0.00000000000000 ]
- # atom 3
- [ 0.13893784794102, 0.00000000000000 ]
- [ 0.00997649950089, 0.00000000000000 ]
- [ 0.31247066067340, 0.00000000000000 ]
- # atom 4
- [ 0.12415982814610, 0.00000000000000 ]
- [ -0.07658580094452, 0.00000000000000 ]
- [ -0.14330818206110, 0.00000000000000 ]
- # atom 5
- [ -0.21231526197480, 0.00000000000000 ]
- [ -0.02311390637991, 0.00000000000000 ]
- [ 0.06244204893617, 0.00000000000000 ]
- # atom 6
- [ 0.00223030216708, 0.00000000000000 ]
- [ 0.24154612212314, 0.00000000000000 ]
- [ 0.08086613312493, 0.00000000000000 ]
- # atom 7
- [ -0.12272130319384, 0.00000000000000 ]
- [ -0.07810353031634, 0.00000000000000 ]
- [ -0.14321401576099, 0.00000000000000 ]
- # atom 8
- [ 0.21329390149787, 0.00000000000000 ]
- [ -0.02181399313419, 0.00000000000000 ]
- [ 0.06135531187448, 0.00000000000000 ]
- # atom 9
- [ -0.00346187001500, 0.00000000000000 ]
- [ 0.24103894159558, 0.00000000000000 ]
- [ 0.08185870388651, 0.00000000000000 ]
- # 19
frequency: 23.0800946885
eigenvector:
- # atom 1
- [ 0.00000000000000, 0.00000000000000 ]
- [ -0.52472621882254, 0.00000000000000 ]
- [ 0.15904776492483, 0.00000000000000 ]
- # atom 2
- [ 0.45442623553208, 0.00000000000000 ]
- [ 0.26236310941127, 0.00000000000000 ]
- [ 0.15904776492483, 0.00000000000000 ]
- # atom 3
- [ -0.45442623553208, 0.00000000000000 ]
- [ 0.26236310941127, 0.00000000000000 ]
- [ 0.15904776492483, 0.00000000000000 ]
- # atom 4
- [ 0.07159479939891, 0.00000000000000 ]
- [ 0.01107515323969, 0.00000000000000 ]
- [ -0.10536267945872, 0.00000000000000 ]
- # atom 5
- [ -0.04538876375583, 0.00000000000000 ]
- [ 0.05646533843846, 0.00000000000000 ]
- [ -0.10536267945872, 0.00000000000000 ]
- # atom 6
- [ -0.02620603564308, 0.00000000000000 ]
- [ -0.06754049167815, 0.00000000000000 ]
- [ -0.10536267945872, 0.00000000000000 ]
- # atom 7
- [ -0.07159479939891, 0.00000000000000 ]
- [ 0.01107515323969, 0.00000000000000 ]
- [ -0.10536267945872, 0.00000000000000 ]
- # atom 8
- [ 0.04538876375583, 0.00000000000000 ]
- [ 0.05646533843846, 0.00000000000000 ]
- [ -0.10536267945872, 0.00000000000000 ]
- # atom 9
- [ 0.02620603564308, 0.00000000000000 ]
- [ -0.06754049167815, 0.00000000000000 ]
- [ -0.10536267945872, 0.00000000000000 ]
- # 20
frequency: 23.7479637105
eigenvector:
- # atom 1
- [ -0.62745286438800, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- # atom 2
- [ 0.07527568413732, 0.00000000000000 ]
- [ 0.40572051665833, 0.00000000000000 ]
- [ 0.13580037843006, 0.00000000000000 ]
- # atom 3
- [ 0.07527568413732, 0.00000000000000 ]
- [ -0.40572051665833, 0.00000000000000 ]
- [ -0.13580037843006, 0.00000000000000 ]
- # atom 4
- [ 0.20981995580899, 0.00000000000000 ]
- [ 0.01999869998463, 0.00000000000000 ]
- [ -0.10332741791876, 0.00000000000000 ]
- # atom 5
- [ 0.00686550952263, 0.00000000000000 ]
- [ 0.00949053086381, 0.00000000000000 ]
- [ -0.01044615089523, 0.00000000000000 ]
- # atom 6
- [ 0.09924239125991, 0.00000000000000 ]
- [ 0.19050832171921, 0.00000000000000 ]
- [ 0.11377356881399, 0.00000000000000 ]
- # atom 7
- [ 0.20981995580899, 0.00000000000000 ]
- [ -0.01999869998463, 0.00000000000000 ]
- [ 0.10332741791876, 0.00000000000000 ]
- # atom 8
- [ 0.00686550952263, 0.00000000000000 ]
- [ -0.00949053086381, 0.00000000000000 ]
- [ 0.01044615089523, 0.00000000000000 ]
- # atom 9
- [ 0.09924239125991, 0.00000000000000 ]
- [ -0.19050832171921, 0.00000000000000 ]
- [ -0.11377356881399, 0.00000000000000 ]
- # 21
frequency: 23.7479637105
eigenvector:
- # atom 1
- [ 0.00000000000000, 0.00000000000000 ]
- [ -0.30951853364576, 0.00000000000000 ]
- [ 0.15680877008530, 0.00000000000000 ]
- # atom 2
- [ -0.40572051665833, 0.00000000000000 ]
- [ 0.39321001487956, 0.00000000000000 ]
- [ -0.07840438504265, 0.00000000000000 ]
- # atom 3
- [ 0.40572051665833, 0.00000000000000 ]
- [ 0.39321001487956, 0.00000000000000 ]
- [ -0.07840438504265, 0.00000000000000 ]
- # atom 4
- [ 0.12666633506047, 0.00000000000000 ]
- [ -0.00079861525203, 0.00000000000000 ]
- [ -0.07171828861278, 0.00000000000000 ]
- # atom 5
- [ 0.13717450418129, 0.00000000000000 ]
- [ -0.20375306153839, 0.00000000000000 ]
- [ 0.12534331313148, 0.00000000000000 ]
- # atom 6
- [ -0.04384328667411, 0.00000000000000 ]
- [ -0.11137617980111, 0.00000000000000 ]
- [ -0.05362502451870, 0.00000000000000 ]
- # atom 7
- [ -0.12666633506047, 0.00000000000000 ]
- [ -0.00079861525203, 0.00000000000000 ]
- [ -0.07171828861278, 0.00000000000000 ]
- # atom 8
- [ -0.13717450418129, 0.00000000000000 ]
- [ -0.20375306153839, 0.00000000000000 ]
- [ 0.12534331313148, 0.00000000000000 ]
- # atom 9
- [ 0.04384328667411, 0.00000000000000 ]
- [ -0.11137617980111, 0.00000000000000 ]
- [ -0.05362502451870, 0.00000000000000 ]
- # 22
frequency: 32.0948577419
eigenvector:
- # atom 1
- [ 0.00000000000000, 0.00000000000000 ]
- [ 0.33946222499261, 0.00000000000000 ]
- [ -0.10653699890383, 0.00000000000000 ]
- # atom 2
- [ 0.06386565345856, 0.00000000000000 ]
- [ 0.22884366834380, 0.00000000000000 ]
- [ 0.05326849945191, 0.00000000000000 ]
- # atom 3
- [ -0.06386565345856, 0.00000000000000 ]
- [ 0.22884366834380, 0.00000000000000 ]
- [ 0.05326849945191, 0.00000000000000 ]
- # atom 4
- [ -0.13945474486890, 0.00000000000000 ]
- [ -0.29557359016148, 0.00000000000000 ]
- [ -0.26422050618092, 0.00000000000000 ]
- # atom 5
- [ 0.02052465604079, 0.00000000000000 ]
- [ 0.03588495172308, 0.00000000000000 ]
- [ -0.00993496553374, 0.00000000000000 ]
- # atom 6
- [ 0.22758647315933, 0.00000000000000 ]
- [ -0.26839054448922, 0.00000000000000 ]
- [ 0.27415547171466, 0.00000000000000 ]
- # atom 7
- [ 0.13945474486889, 0.00000000000000 ]
- [ -0.29557359016148, 0.00000000000000 ]
- [ -0.26422050618092, 0.00000000000000 ]
- # atom 8
- [ -0.02052465604079, 0.00000000000000 ]
- [ 0.03588495172308, 0.00000000000000 ]
- [ -0.00993496553374, 0.00000000000000 ]
- # atom 9
- [ -0.22758647315933, 0.00000000000000 ]
- [ -0.26839054448922, 0.00000000000000 ]
- [ 0.27415547171466, 0.00000000000000 ]
- # 23
frequency: 32.0948577419
eigenvector:
- # atom 1
- [ 0.19197081612753, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- # atom 2
- [ 0.30258937277634, 0.00000000000000 ]
- [ 0.06386565345856, 0.00000000000000 ]
- [ 0.09226374749367, 0.00000000000000 ]
- # atom 3
- [ 0.30258937277634, 0.00000000000000 ]
- [ -0.06386565345856, 0.00000000000000 ]
- [ -0.09226374749367, 0.00000000000000 ]
- # atom 4
- [ -0.05647919845693, 0.00000000000000 ]
- [ -0.21189233442305, 0.00000000000000 ]
- [ -0.16401969041956, 0.00000000000000 ]
- # atom 5
- [ -0.38793774034149, 0.00000000000000 ]
- [ -0.05191293351335, 0.00000000000000 ]
- [ 0.31083151576324, 0.00000000000000 ]
- # atom 6
- [ -0.08366224412920, 0.00000000000000 ]
- [ 0.15514888360518, 0.00000000000000 ]
- [ -0.14681182534368, 0.00000000000000 ]
- # atom 7
- [ -0.05647919845693, 0.00000000000000 ]
- [ 0.21189233442305, 0.00000000000000 ]
- [ 0.16401969041956, 0.00000000000000 ]
- # atom 8
- [ -0.38793774034149, 0.00000000000000 ]
- [ 0.05191293351335, 0.00000000000000 ]
- [ -0.31083151576324, 0.00000000000000 ]
- # atom 9
- [ -0.08366224412920, 0.00000000000000 ]
- [ -0.15514888360518, 0.00000000000000 ]
- [ 0.14681182534368, 0.00000000000000 ]
- # 24
frequency: 32.3972625651
eigenvector:
- # atom 1
- [ 0.00000000000000, 0.00000000000000 ]
- [ -0.10511516492782, 0.00000000000000 ]
- [ -0.27014158606187, 0.00000000000000 ]
- # atom 2
- [ 0.09103240315048, 0.00000000000000 ]
- [ 0.05255758246390, 0.00000000000000 ]
- [ -0.27014158606188, 0.00000000000000 ]
- # atom 3
- [ -0.09103240315048, 0.00000000000000 ]
- [ 0.05255758246390, 0.00000000000000 ]
- [ -0.27014158606188, 0.00000000000000 ]
- # atom 4
- [ 0.13611349038517, 0.00000000000000 ]
- [ 0.27221507256672, 0.00000000000000 ]
- [ 0.17895782033881, 0.00000000000000 ]
- # atom 5
- [ -0.30380191332839, 0.00000000000000 ]
- [ -0.01822979581203, 0.00000000000000 ]
- [ 0.17895782033881, 0.00000000000000 ]
- # atom 6
- [ 0.16768842294321, 0.00000000000000 ]
- [ -0.25398527675468, 0.00000000000000 ]
- [ 0.17895782033880, 0.00000000000000 ]
- # atom 7
- [ -0.13611349038517, 0.00000000000000 ]
- [ 0.27221507256672, 0.00000000000000 ]
- [ 0.17895782033881, 0.00000000000000 ]
- # atom 8
- [ 0.30380191332839, 0.00000000000000 ]
- [ -0.01822979581203, 0.00000000000000 ]
- [ 0.17895782033881, 0.00000000000000 ]
- # atom 9
- [ -0.16768842294321, 0.00000000000000 ]
- [ -0.25398527675468, 0.00000000000000 ]
- [ 0.17895782033880, 0.00000000000000 ]
- # 25
frequency: 32.5537855122
eigenvector:
- # atom 1
- [ 0.27492555060945, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- # atom 2
- [ -0.13746277530473, 0.00000000000000 ]
- [ 0.23809251097721, 0.00000000000000 ]
- [ -0.00000000000000, 0.00000000000000 ]
- # atom 3
- [ -0.13746277530473, 0.00000000000000 ]
- [ -0.23809251097721, 0.00000000000000 ]
- [ 0.00000000000000, 0.00000000000000 ]
- # atom 4
- [ -0.11118815734345, 0.00000000000000 ]
- [ -0.25918781177395, 0.00000000000000 ]
- [ -0.22211147960452, 0.00000000000000 ]
- # atom 5
- [ 0.28005730801927, 0.00000000000000 ]