# Fileset [phonopy_training_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/0d13455d-2a05-4012-b295-56c462cdb33a/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Na2SiF6 / P321 (150) / materials id 3775](https://mdr.nims.go.jp/datasets/cad0585b-5f3e-4201-951d-8cb37d36de94) ## Fulltext phonopy: version: "2.24.2" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "P321" number: 150 Hall_symbol: "P 3 2\""primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 1.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 8.907351381942332, 0.000000000000000, 0.000000000000000 ] # a - [ -4.453675690971166, 7.713992577196485, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.048712760000000 ] # c points: - symbol: F # 1 coordinates: [ 0.740219900000008, 0.226389740000005, 0.688419349999999 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.773610259999995, 0.513830160000004, 0.688419349999999 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.486169839999996, 0.259780099999992, 0.688419349999999 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.513830160000004, 0.773610259999995, 0.311580650000001 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.259780099999992, 0.486169839999996, 0.311580650000001 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.226389740000005, 0.740219900000008, 0.311580650000001 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.596380590000015, 0.442763480000011, 0.298620020000009 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.557236519999989, 0.153617110000004, 0.298620020000009 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.846382889999996, 0.403619409999985, 0.298620020000009 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.085029820000015, 0.903608830000011, 0.807047600000005 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.096391169999989, 0.181420990000004, 0.807047600000005 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.818579009999996, 0.914970179999985, 0.807047600000005 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.181420990000004, 0.096391169999989, 0.192952399999995 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.914970179999985, 0.818579009999996, 0.192952399999995 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.903608830000011, 0.085029820000015, 0.192952399999995 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.442763480000011, 0.596380590000015, 0.701379979999991 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.403619409999985, 0.846382889999996, 0.701379979999991 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.153617110000004, 0.557236519999989, 0.701379979999991 ] mass: 18.998403 - symbol: Na # 19 coordinates: [ 0.000000000000000, 0.288944275000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 20 coordinates: [ 0.288944275000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 21 coordinates: [ 0.711055725000000, 0.711055725000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 22 coordinates: [ 0.000000000000000, 0.623504345000002, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 23 coordinates: [ 0.623504345000002, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 24 coordinates: [ 0.376495654999998, 0.376495654999998, 0.000000000000000 ] mass: 22.989769 - symbol: Si # 25 coordinates: [ 0.666666666666667, 0.333333333333333, 0.493721599999997 ] mass: 28.085500 - symbol: Si # 26 coordinates: [ 0.333333333333333, 0.666666666666667, 0.506278400000003 ] mass: 28.085500 - symbol: Si # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reciprocal_lattice: # without 2pi - [ 0.112266818397585, 0.064817277822909, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.129634555645817, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.198070289900985 ] # c*unit_cell: lattice: - [ 8.907351381942332, 0.000000000000000, 0.000000000000000 ] # a - [ -4.453675690971166, 7.713992577196485, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.048712760000000 ] # c points: - symbol: F # 1 coordinates: [ 0.740219900000008, 0.226389740000005, 0.688419349999999 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.773610259999995, 0.513830160000004, 0.688419349999999 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.486169839999996, 0.259780099999992, 0.688419349999999 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.513830160000004, 0.773610259999995, 0.311580650000001 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.259780099999992, 0.486169839999996, 0.311580650000001 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.226389740000005, 0.740219900000008, 0.311580650000001 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.596380590000015, 0.442763480000011, 0.298620020000009 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.557236519999989, 0.153617110000004, 0.298620020000009 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.846382889999996, 0.403619409999985, 0.298620020000009 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.085029820000015, 0.903608830000011, 0.807047600000005 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.096391169999989, 0.181420990000004, 0.807047600000005 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.818579009999996, 0.914970179999985, 0.807047600000005 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.181420990000004, 0.096391169999989, 0.192952399999995 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.914970179999985, 0.818579009999996, 0.192952399999995 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.903608830000011, 0.085029820000015, 0.192952399999995 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.442763480000011, 0.596380590000015, 0.701379979999991 ] mass: 18.998403 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.403619409999985, 0.846382889999996, 0.701379979999991 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.153617110000004, 0.557236519999989, 0.701379979999991 ] mass: 18.998403 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.000000000000000, 0.288944275000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.288944275000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.711055725000000, 0.711055725000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.000000000000000, 0.623504345000002, 0.000000000000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.623504345000002, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.376495654999998, 0.376495654999998, 0.000000000000000 ] mass: 22.989769 reduced_to: 24 - symbol: Si # 25 coordinates: [ 0.666666666666667, 0.333333333333333, 0.493721599999997 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.333333333333333, 0.666666666666667, 0.506278400000003 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 27supercell: lattice: - [ 8.907351381942332, 0.000000000000000, 0.000000000000000 ] # a - [ -4.453675690971166, 7.713992577196485, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.097425520000000 ] # c points: - symbol: F # 1 coordinates: [ 0.740219900000008, 0.226389740000005, 0.344209674999999 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.740219900000008, 0.226389740000005, 0.844209674999999 ] mass: 18.998403 reduced_to: 1 - symbol: F # 3 coordinates: [ 0.773610259999995, 0.513830160000004, 0.344209674999999 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.773610259999995, 0.513830160000004, 0.844209674999999 ] mass: 18.998403 reduced_to: 3 - symbol: F # 5 coordinates: [ 0.486169839999996, 0.259780099999992, 0.344209674999999 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.486169839999996, 0.259780099999992, 0.844209674999999 ] mass: 18.998403 reduced_to: 5 - symbol: F # 7 coordinates: [ 0.513830160000004, 0.773610259999995, 0.155790325000001 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.513830160000004, 0.773610259999995, 0.655790325000001 ] mass: 18.998403 reduced_to: 7 - symbol: F # 9 coordinates: [ 0.259780099999992, 0.486169839999996, 0.155790325000001 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.259780099999992, 0.486169839999996, 0.655790325000001 ] mass: 18.998403 reduced_to: 9 - symbol: F # 11 coordinates: [ 0.226389740000005, 0.740219900000008, 0.155790325000001 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.226389740000005, 0.740219900000008, 0.655790325000001 ] mass: 18.998403 reduced_to: 11 - symbol: F # 13 coordinates: [ 0.596380590000015, 0.442763480000011, 0.149310010000004 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.596380590000015, 0.442763480000011, 0.649310010000004 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.557236519999989, 0.153617110000004, 0.149310010000004 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.557236519999989, 0.153617110000004, 0.649310010000004 ] mass: 18.998403 reduced_to: 15 - symbol: F # 17 coordinates: [ 0.846382889999996, 0.403619409999985, 0.149310010000004 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.846382889999996, 0.403619409999985, 0.649310010000004 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.085029820000015, 0.903608830000011, 0.403523800000002 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.085029820000015, 0.903608830000011, 0.903523800000003 ] mass: 18.998403 reduced_to: 19 - symbol: F # 21 coordinates: [ 0.096391169999989, 0.181420990000004, 0.403523800000002 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.096391169999989, 0.181420990000004, 0.903523800000003 ] mass: 18.998403 reduced_to: 21 - symbol: F # 23 coordinates: [ 0.818579009999996, 0.914970179999985, 0.403523800000002 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.818579009999996, 0.914970179999985, 0.903523800000003 ] mass: 18.998403 reduced_to: 23 - symbol: F # 25 coordinates: [ 0.181420990000004, 0.096391169999989, 0.096476199999998 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.181420990000004, 0.096391169999989, 0.596476199999997 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.914970179999985, 0.818579009999996, 0.096476199999998 ] mass: 18.998403 reduced_to: 27 - symbol: F # 28 coordinates: [ 0.914970179999985, 0.818579009999996, 0.596476199999997 ] mass: 18.998403 reduced_to: 27 - symbol: F # 29 coordinates: [ 0.903608830000011, 0.085029820000015, 0.096476199999998 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.903608830000011, 0.085029820000015, 0.596476199999997 ] mass: 18.998403 reduced_to: 29 - symbol: F # 31 coordinates: [ 0.442763480000011, 0.596380590000015, 0.350689989999996 ] mass: 18.998403 reduced_to: 31 - symbol: F # 32 coordinates: [ 0.442763480000011, 0.596380590000015, 0.850689989999996 ] mass: 18.998403 reduced_to: 31 - symbol: F # 33 coordinates: [ 0.403619409999985, 0.846382889999996, 0.350689989999996 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.403619409999985, 0.846382889999996, 0.850689989999996 ] mass: 18.998403 reduced_to: 33 - symbol: F # 35 coordinates: [ 0.153617110000004, 0.557236519999989, 0.350689989999996 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.153617110000004, 0.557236519999989, 0.850689989999996 ] mass: 18.998403 reduced_to: 35 - symbol: Na # 37 coordinates: [ 0.000000000000000, 0.288944275000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.000000000000000, 0.288944275000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 39 coordinates: [ 0.288944275000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 40 coordinates: [ 0.288944275000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 41 coordinates: [ 0.711055725000000, 0.711055725000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 42 coordinates: [ 0.711055725000000, 0.711055725000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 43 coordinates: [ 0.000000000000000, 0.623504345000002, 0.000000000000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 44 coordinates: [ 0.000000000000000, 0.623504345000002, 0.500000000000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 45 coordinates: [ 0.623504345000002, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 45 - symbol: Na # 46 coordinates: [ 0.623504345000002, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 45 - symbol: Na # 47 coordinates: [ 0.376495654999998, 0.376495654999998, 0.000000000000000 ] mass: 22.989769 reduced_to: 47 - symbol: Na # 48 coordinates: [ 0.376495654999998, 0.376495654999998, 0.500000000000000 ] mass: 22.989769 reduced_to: 47 - symbol: Si # 49 coordinates: [ 0.666666666666667, 0.333333333333333, 0.246860799999998 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 50 coordinates: [ 0.666666666666667, 0.333333333333333, 0.746860799999999 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 51 coordinates: [ 0.333333333333333, 0.666666666666667, 0.253139200000002 ] mass: 28.085500 reduced_to: 51 - symbol: Si # 52 coordinates: [ 0.333333333333333, 0.666666666666667, 0.753139200000001 ] mass: 28.085500 reduced_to: 51 - symbol: Si # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 53nac: born_effective_charge: - # 1 (F) - [ -0.974683663724090, 0.173457476808240, -0.195889815179408 ] - [ 0.162090543474909, -0.844794106275910, 0.193571070544017 ] - [ -0.191097928850715, 0.193898681362389, -0.876592511481482 ] - # 2 (F) - [ -0.731969940760563, -0.021959710185898, -0.069692556939163 ] - [ -0.033326643519234, -1.087507829239437, -0.266431091560014 ] - [ -0.072372219394778, -0.262445001676505, -0.876592511481482 ] - # 3 (F) - [ -1.022563050515347, -0.134447366622342, 0.265582372118570 ] - [ -0.145814299955675, -0.796914719484653, 0.072860021015997 ] - [ 0.263470148245493, 0.068546320314116, -0.876592511481482 ] - # 4 (F) - [ -0.974683663724088, -0.173457476808242, 0.195889815179405 ] - [ -0.162090543474909, -0.844794106275912, 0.193571070544017 ] - [ 0.191097928850715, 0.193898681362392, -0.876592511481482 ] - # 5 (F) - [ -0.731969940760563, 0.021959710185903, 0.069692556939166 ] - [ 0.033326643519234, -1.087507829239436, -0.266431091560014 ] - [ 0.072372219394778, -0.262445001676504, -0.876592511481482 ] - # 6 (F) - [ -1.022563050515349, 0.134447366622339, -0.265582372118571 ] - [ 0.145814299955675, -0.796914719484651, 0.072860021015997 ] - [ -0.263470148245493, 0.068546320314113, -0.876592511481482 ] - # 7 (F) - [ -0.955416609643396, 0.180736253059199, -0.234915163806277 ] - [ 0.179040173059201, -0.864378390356604, 0.123564381684204 ] - [ -0.232493072988462, 0.120729881110909, -0.875492921481482 ] - # 8 (F) - [ -0.731350182827647, -0.049675361220768, 0.010447688361703 ] - [ -0.051371441220771, -1.088444817172353, -0.265224690432521 ] - [ 0.011691392456307, -0.261709847967371, -0.875492921481482 ] - # 9 (F) - [ -1.042925707528957, -0.128516771838430, 0.224467475444574 ] - [ -0.130212851838430, -0.776869292471044, 0.141660308748317 ] - [ 0.220801680532155, 0.140979966856463, -0.875492921481482 ] - # 10 (F) - [ -0.969149240124979, 0.164832382695046, 0.242696749471193 ] - [ 0.169388859361715, -0.831026493208354, -0.102236338481602 ] - [ 0.248642807154618, -0.104463848338888, -0.897658641481482 ] - # 11 (F) - [ -0.720835136884739, -0.026024645012379, -0.032809108420626 ] - [ -0.021468168345715, -1.079340596448594, 0.261299719698762 ] - [ -0.033853057138745, 0.267562911633618, -0.897658641481482 ] - # 12 (F) - [ -1.010279222990282, -0.145642452682666, -0.209887641050566 ] - [ -0.141085976016000, -0.789896510343052, -0.159063381217160 ] - [ -0.214789750015873, -0.163099063294730, -0.897658641481482 ] - # 13 (F) - [ -0.969149240124976, -0.164832382695047, -0.242696749471191 ] - [ -0.169388859361715, -0.831026493208357, -0.102236338481602 ] - [ -0.248642807154618, -0.104463848338891, -0.897658641481482 ] - # 14 (F) - [ -0.720835136884739, 0.026024645012384, 0.032809108420623 ] - [ 0.021468168345715, -1.079340596448594, 0.261299719698762 ] - [ 0.033853057138745, 0.267562911633618, -0.897658641481482 ] - # 15 (F) - [ -1.010279222990284, 0.145642452682663, 0.209887641050568 ] - [ 0.141085976016000, -0.789896510343050, -0.159063381217160 ] - [ 0.214789750015873, -0.163099063294727, -0.897658641481482 ] - # 16 (F) - [ -1.042925707528958, 0.128516771838427, -0.224467475444576 ] - [ 0.130212851838430, -0.776869292471042, 0.141660308748317 ] - [ -0.220801680532154, 0.140979966856460, -0.875492921481482 ] - # 17 (F) - [ -0.731350182827648, 0.049675361220773, -0.010447688361700 ] - [ 0.051371441220771, -1.088444817172352, -0.265224690432521 ] - [ -0.011691392456307, -0.261709847967371, -0.875492921481482 ] - # 18 (F) - [ -0.955416609643393, -0.180736253059200, 0.234915163806276 ] - [ -0.179040173059201, -0.864378390356606, 0.123564381684204 ] - [ 0.232493072988462, 0.120729881110912, -0.875492921481482 ] - # 19 (Na) - [ 1.073653992359437, -0.011948681199912, 0.003404632268706 ] - [ -0.011948681199912, 1.087451140973897, 0.001965665356829 ] - [ 0.025646250570534, 0.014806869670602, 0.976870528518519 ] - # 20 (Na) - [ 1.094349715281127, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.066755418052206, -0.003931330713658 ] - [ -0.000000000000000, -0.029613739341204, 0.976870528518519 ] - # 21 (Na) - [ 1.073653992359436, 0.011948681199912, -0.003404632268706 ] - [ 0.011948681199912, 1.087451140973897, 0.001965665356829 ] - [ -0.025646250570534, 0.014806869670602, 0.976870528518519 ] - # 22 (Na) - [ 1.095148898950605, 0.011432618930855, 0.001186527042608 ] - [ 0.011432618930855, 1.081947647716062, 0.000685041707451 ] - [ 0.018708081422573, 0.010801115845344, 1.115255418518519 ] - # 23 (Na) - [ 1.075347022098791, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.101749524567876, -0.001370083414902 ] - [ -0.000000000000000, -0.021602231690688, 1.115255418518519 ] - # 24 (Na) - [ 1.095148898950605, -0.011432618930855, -0.001186527042608 ] - [ -0.011432618930855, 1.081947647716062, 0.000685041707451 ] - [ -0.018708081422573, 0.010801115845344, 1.115255418518519 ] - # 25 (Si) - [ 3.280416580000000, -0.011763380000000, -0.000000000000000 ] - [ 0.011763380000000, 3.280416580000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 3.174266978518519 ] - # 26 (Si) - [ 3.280416580000000, 0.011763380000000, -0.000000000000000 ] - [ -0.011763380000000, 3.280416580000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 3.174266978518519 ] - # 27 (Si) - [ 3.250209830000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 3.250209830000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 3.273552648518519 ] dielectric_constant: - [ 1.803222120000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.803222120000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.788035090000000 ] unit_conversion_factor: 14.399652dataset: displacements: - # 1 - [ -0.0031387554860002, -0.0157855676384538, 0.0253172681845989 ] - [ -0.0235052738115539, -0.0037312968272594, 0.0182641596311126 ] - [ 0.0104764304348310, -0.0225273447882071, -0.0168155624983937 ] - [ 0.0043303320512565, -0.0060580288762203, 0.0290611168137211 ] - [ 0.0055073109686254, -0.0078813062660275, -0.0284175040676681 ] - [ 0.0191383413471386, 0.0015360619804225, 0.0230513427824217 ] - [ -0.0009009349243699, -0.0287389701936769, -0.0085592002236776 ] - [ -0.0137016179522707, 0.0129214484679644, -0.0233516987600422 ] - [ -0.0104845037864997, 0.0184100238491060, 0.0212402024996520 ] - [ 0.0029035925185092, -0.0263082581074422, -0.0141224893640838 ] - [ 0.0159209299051441, 0.0143474151133128, 0.0209922764492508 ] - [ -0.0270392026942651, 0.0129898365477251, 0.0003816596937451 ] - [ -0.0102611693657888, -0.0206883075672088, 0.0191494734457940 ] - [ 0.0293133140845011, -0.0037819600491299, -0.0051406610051799 ] - [ 0.0050334445233189, 0.0229342714005396, -0.0186730723652285 ] - [ 0.0263335219110158, -0.0137510984627673, 0.0041776685877805 ] - [ 0.0241646364669397, -0.0137013988663273, 0.0113288134209393 ] - [ 0.0275803655944243, -0.0072043432775410, -0.0093499129203028 ] - [ -0.0131741312556704, -0.0154247941779313, 0.0221024430827640 ] - [ -0.0061836542931731, -0.0137962045511797, 0.0259119115382199 ] - [ 0.0194364035931687, 0.0182486816643060, 0.0137554292146149 ] - [ -0.0234187075280584, -0.0045097504463071, -0.0181996233100384 ] - [ -0.0222588572127851, 0.0073748382635623, 0.0187124299909751 ] - [ 0.0224827701442683, 0.0168189916659211, -0.0105662938621674 ] - [ 0.0234847804706426, 0.0166952228860110, 0.0083507256590156 ] - [ -0.0293317043077523, -0.0061717732452926, -0.0012491346649885 ] - [ 0.0259712774845524, -0.0144432613258362, 0.0041091298463281 ] - [ -0.0108849197948967, 0.0242144270929161, 0.0139706850805720 ] - [ -0.0151698124537875, 0.0257885485091684, 0.0021971699768525 ] - [ -0.0241294884419534, 0.0157222212623977, 0.0084011633781189 ] - [ 0.0009690430194547, 0.0246899099067957, 0.0170137974720741 ] - [ 0.0289244095289425, -0.0014651676460905, 0.0078250761766815 ] - [ -0.0045013093486074, 0.0165754598205854, 0.0245965921599781 ] - [ 0.0227486105908895, -0.0192564854497281, -0.0034188425392927 ] - [ 0.0283875502855398, -0.0058915261868327, 0.0077095335770599 ] - [ 0.0212467343383392, -0.0071483065586381, 0.0199368501348575 ] - [ -0.0299604800922177, -0.0000682568730958, -0.0015378470805319 ] - [ -0.0196055706021588, -0.0053850689375998, -0.0220595247886500 ] - [ -0.0013810371343440, 0.0257086322702337, 0.0153999663385171 ] - [ -0.0234660083949623, -0.0023754507813952, -0.0185392471150457 ] - [ 0.0005272211125105, 0.0260371397664058, 0.0148925951628040 ] - [ 0.0152704564904756, 0.0087616429042174, -0.0242908783742266 ] - [ 0.0105421150574919, 0.0248765579987493, -0.0130391975308861 ] - [ -0.0169151723493177, 0.0242038573708850, 0.0052962470451002 ] - [ -0.0000287068086533, 0.0122499322300693, -0.0273850020317298 ] - [ -0.0013428906993221, 0.0240912668718657, -0.0178271563934976 ] - [ 0.0206269406533340, 0.0050068296105965, -0.0212004947238099 ] - [ -0.0195900150238967, -0.0089005435393966, -0.0209048232727953 ] - [ -0.0022827539569223, 0.0277959958422959, -0.0110531284941062 ] - [ 0.0193220435679218, 0.0004153314890221, 0.0229452856184786 ] - [ 0.0239726061930912, 0.0020829385881405, -0.0179157896602132 ] - [ -0.0276540932460863, -0.0110768562163358, -0.0035432164906182 ] - [ 0.0292344011378360, 0.0058696102384756, -0.0033011309820236 ] - [ 0.0208116911726481, -0.0087564677790590, 0.0197534245782502 ] - # 2 - [ -0.0044900393189166, -0.0159609525848655, -0.0250017507286641 ] - [ -0.0064688346566396, -0.0256839967608359, 0.0140885232928945 ] - [ 0.0081082044574646, -0.0276812898060257, 0.0082464061960815 ] - [ -0.0167796456591208, -0.0243815798773593, 0.0048971475614177 ] - [ -0.0113335108801260, 0.0276781316658544, 0.0023393500417195 ] - [ -0.0209133433818071, 0.0081740670593915, 0.0198951425303564 ] - [ 0.0124681569490477, -0.0214987356724231, 0.0168032564338343 ] - [ -0.0119669145697630, 0.0214638967111968, -0.0172073848579925 ] - [ -0.0192819918806658, -0.0207709074939789, 0.0098373874067513 ] - [ 0.0224762098435410, 0.0131428388081542, 0.0149025427069338 ] - [ -0.0208381873533849, 0.0180011763631911, -0.0119049400404419 ] - [ -0.0093751939739209, -0.0235235036791593, -0.0160857238757830 ] - [ 0.0199729659585460, -0.0223106419676967, 0.0018209573877532 ] - [ 0.0098669865704698, 0.0146147292337678, -0.0242703989551433 ] - [ -0.0135299801016894, -0.0258581247629766, 0.0069496059017922 ] - [ 0.0122322154632531, 0.0266721926981110, 0.0062423586516143 ] - [ 0.0113833009488024, 0.0213113619772726, 0.0177833155002844 ] - [ -0.0169734743987032, -0.0246832894363264, -0.0016236962274720 ] - [ -0.0031169292387097, -0.0154439049780643, 0.0255297973190034 ] - [ -0.0140988910121572, 0.0187766557871809, -0.0186723986053490 ] - [ -0.0140919227700839, -0.0256069373129611, 0.0067603605001563 ] - [ -0.0030036539830302, -0.0010883248512319, -0.0298294085051718 ] - [ -0.0059692979416659, -0.0252843786451026, -0.0150022557842046 ] - [ -0.0025311319339112, -0.0276851509355912, 0.0112750072641514 ] - [ 0.0059314000743360, -0.0244940063268611, 0.0162745859307650 ] - [ -0.0022455153593276, 0.0251769016707664, 0.0161580098722456 ] - [ 0.0252293652580074, -0.0062426620655829, 0.0149836010028625 ] - [ -0.0144244589695076, 0.0191341800962090, -0.0180504331106716 ] - [ -0.0226581066171618, 0.0056180851080834, 0.0188426994945963 ] - [ -0.0016742337903696, 0.0208289895218502, 0.0215255693702592 ] - [ -0.0005814920203951, -0.0053290687717163, 0.0295171626864191 ] - [ -0.0156871012160283, 0.0253769239130045, -0.0031506488461367 ] - [ 0.0132277730465221, 0.0268197690061050, -0.0023929084163155 ] - [ -0.0082565634287964, 0.0155155284366432, 0.0243124975615007 ] - [ -0.0198215476715453, 0.0200497877882471, 0.0102524269102937 ] - [ -0.0140282897535844, -0.0033582030750445, -0.0263045539535694 ] - [ -0.0219046936487584, 0.0057609550352817, 0.0196722086516869 ] - [ -0.0052579147645148, 0.0274371264597644, 0.0109342774777299 ] - [ -0.0223041939030701, 0.0200533417739867, -0.0006216253131360 ] - [ 0.0152918963816161, 0.0175897770196412, 0.0188880292633514 ] - [ 0.0295953978457109, -0.0047339575595625, -0.0013046348831582 ] - [ 0.0257244031033047, 0.0083337127416695, -0.0129924715477087 ] - [ 0.0117476435941148, -0.0185756353703171, 0.0204190754093979 ] - [ 0.0188354866476807, 0.0230889569948508, -0.0034820263690805 ] - [ -0.0031334428000126, 0.0109029548898221, -0.0277724163674959 ] - [ 0.0161787205405187, -0.0122095529658041, -0.0221173194136862 ] - [ -0.0285826423341632, 0.0087305215984532, 0.0026097030130352 ] - [ -0.0258455116505840, 0.0120119949314623, -0.0093659759387929 ] - [ 0.0264294170792649, -0.0026996056723944, 0.0139354957595284 ] - [ -0.0066732018799955, -0.0043977951272461, 0.0289158740951678 ] - [ 0.0234614428132334, 0.0111340924307582, 0.0150197432356453 ] - [ 0.0155958927761348, 0.0050563879089960, -0.0251237152871359 ] - [ -0.0297022561093176, 0.0042119987138008, 0.0001872133847864 ] - [ 0.0262665539439545, -0.0103817321461842, 0.0101137422131579 ] - # 3 - [ 0.0290859195238630, -0.0041892735584749, -0.0060381514144338 ] - [ -0.0024454054445629, 0.0272467154097094, 0.0123140769688194 ] - [ 0.0279523745489704, -0.0082349179855144, 0.0071309804968127 ] - [ 0.0297863225421597, 0.0026832275142951, -0.0023612029817364 ] - [ -0.0089959728187327, -0.0283499518013879, 0.0039182529147066 ] - [ -0.0293654219683533, -0.0048286839259416, 0.0037889054044548 ] - [ 0.0077310688933774, -0.0270805997576699, 0.0103378765000719 ] - [ -0.0213667915790764, 0.0200230764602230, -0.0065220109386885 ] - [ 0.0076550895480705, -0.0273328659596719, -0.0097115417129120 ] - [ 0.0241083394164904, -0.0105325156276908, 0.0144171455264814 ] - [ -0.0217181693866980, 0.0043090923337699, -0.0202423526732872 ] - [ -0.0276539705633111, 0.0114366891831162, -0.0021118836644847 ] - [ 0.0137312924372354, -0.0078353126719366, 0.0254962641054746 ] - [ 0.0190470568849973, 0.0218543370594633, 0.0077199466132250 ] - [ -0.0120302961914381, -0.0247941742690234, -0.0118541509971642 ] - [ 0.0059488151321630, -0.0078921977872773, -0.0283253387024735 ] - [ -0.0273545832484470, 0.0096317733685359, 0.0076782626342777 ] - [ -0.0101388256386414, 0.0083208936484235, -0.0269808625429369 ] - [ 0.0047991110371257, 0.0201424396844556, 0.0217083084742088 ] - [ -0.0226136548264386, 0.0195137082462408, -0.0027996081638834 ] - [ -0.0042139984346420, 0.0290632707894163, 0.0061293154767799 ] - [ -0.0047186095327372, -0.0071227343391954, 0.0287576316759710 ] - [ -0.0192452793372731, 0.0229245028619783, 0.0020214825652174 ] - [ 0.0018631310773056, 0.0263426860796860, -0.0142334687513584 ] - [ 0.0189079597694257, 0.0224741971693094, -0.0061155146106266 ] - [ 0.0009973323648240, -0.0267873482871119, 0.0134700890828174 ] - [ -0.0256709348430527, -0.0154264330335129, -0.0017401919854677 ] - [ -0.0021501490386494, -0.0284074107994329, -0.0094019078268116 ] - [ 0.0127820393893747, 0.0238041504147177, 0.0130377103849552 ] - [ 0.0051806021239715, 0.0295088509680932, 0.0015456636684506 ] - [ 0.0121878541038564, -0.0251313217836287, 0.0109486473023300 ] - [ -0.0242297703871327, -0.0140525551534364, 0.0107444832656790 ] - [ 0.0183663381408171, -0.0227111461506615, 0.0068470040032458 ] - [ -0.0281415718110670, -0.0004933140812088, -0.0103830909280348 ] - [ -0.0212847075654904, 0.0109727769949873, 0.0180709542877468 ] - [ -0.0193507701046923, 0.0223937639932412, -0.0049058159943439 ] - [ -0.0175654388719470, 0.0077007463095817, 0.0230684603628278 ] - [ 0.0126330935190018, 0.0078968390378270, -0.0260392949472678 ] - [ -0.0266020458974881, 0.0116032949275735, 0.0075957027911633 ] - [ -0.0145216996562851, 0.0256133323535735, 0.0057512994043116 ] - [ -0.0035934427413990, 0.0295083495248390, 0.0040428303927101 ] - [ 0.0257740189802740, -0.0134780756441874, 0.0073512871345117 ] - [ -0.0094027612078475, 0.0058187875865839, 0.0278878072406278 ] - [ 0.0215488172637700, -0.0175829303412976, -0.0112467344214097 ] - [ -0.0219173742209274, -0.0204355966463922, -0.0014195411109892 ] - [ 0.0015883717778099, -0.0264089672276616, -0.0141436743834037 ] - [ -0.0135206297810396, 0.0149453695577398, -0.0222222523409903 ] - [ 0.0198754596142546, -0.0146715098227235, 0.0170209548687453 ] - [ 0.0070078621142708, -0.0106121874274137, -0.0271711491584881 ] - [ 0.0198135057042163, 0.0199311682517842, -0.0104963576457767 ] - [ -0.0211686470667051, 0.0191868805228217, 0.0091516117251687 ] - [ -0.0071936639723568, -0.0287601333607485, -0.0045941188191834 ] - [ 0.0292508823694314, 0.0062151478263103, 0.0023995453958610 ] - [ -0.0187504785826380, 0.0089466267352668, -0.0216420290865215 ] - # 4 - [ 0.0109982651603861, -0.0254670881955441, 0.0114221531377500 ] - [ 0.0144126632927813, -0.0093882318684201, -0.0245791830456933 ] - [ 0.0170037608037280, 0.0080516662734610, -0.0233675584678934 ] - [ -0.0093527999514910, -0.0275621911318337, -0.0072698523423557 ] - [ 0.0259997161585731, 0.0050787560717090, -0.0140790978559605 ] - [ 0.0049124388135427, -0.0079120477792918, -0.0285178443231848 ] - [ -0.0115023047697003, 0.0276494810738100, -0.0017897433709751 ] - [ 0.0118874609935108, 0.0031429361833864, 0.0273643970018511 ] - [ -0.0008773558529315, 0.0299471177680583, -0.0015493172991270 ] - [ 0.0258387851576661, 0.0131719487759771, -0.0076718281406071 ] - [ 0.0273533134282718, 0.0097101690566693, 0.0075834597240064 ] - [ -0.0076824004415700, -0.0268215349972820, 0.0110266034591320 ] - [ -0.0122316935302678, -0.0075704727219133, 0.0263262913481632 ] - [ 0.0101539432068009, -0.0226937987655702, -0.0167895483840652 ] - [ 0.0051643938688413, -0.0235992759750195, 0.0177877263702347 ] - [ 0.0264556053440828, 0.0120873698401991, 0.0073482267401316 ] - [ 0.0279326790360310, 0.0014798875374696, 0.0108432179147390 ] - [ 0.0216313686129730, -0.0077684153560648, 0.0192804464363599 ] - [ -0.0252258538469790, -0.0150765323704215, -0.0060294667570595 ] - [ 0.0183350400752888, 0.0164560025476882, -0.0171180105616287 ] - [ 0.0256630993892831, 0.0060408657432112, 0.0143147920281181 ] - [ 0.0024229445528726, -0.0150302814022184, 0.0258499512700475 ] - 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[ 0.1365761100000000, 0.3039089000000000, 0.0296727500000000 ] - [ -0.3481943200000000, -0.1946193000000000, 0.4290044500000000 ] - [ -0.2557075500000000, -0.4329814600000000, 0.2356523700000000 ] - [ -0.1510151900000000, -0.0033934000000000, 0.2862284500000000 ] - [ -0.0163092100000000, 0.1079850800000000, 0.0223752800000000 ] - [ 0.0678376700000000, 0.0725893800000000, 0.3618502400000000 ] - [ -0.0467844700000000, -0.2770789400000000, -0.1251519000000000 ] - [ -0.1498553300000000, -0.0405825000000000, 0.3081396700000000 ] - [ -0.2870453600000000, -0.2186752900000000, -0.4089991800000000 ] - [ -0.0269505100000000, -0.2286215400000000, -0.1246887000000000 ] - [ -0.2714939200000000, -0.0426739600000000, -0.1396811200000000 ] - [ 0.1576117700000000, -0.1440363500000000, -0.0966468200000000 ] - [ -0.1811803700000000, -0.1650673500000000, 0.1839426600000000 ] - [ 0.4957785500000000, -0.1556240000000000, -0.4672956300000000 ] - [ -0.3691539900000000, 0.2094827900000000, 0.3143365600000000 ] - 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[ 0.0050621500000000, 0.0036943000000000, 0.0274215500000000 ] - [ -0.1132693800000000, -0.0645184400000000, -0.0586097700000000 ] - [ 1.5601985900000002, 0.1770570400000000, -0.9554445100000000 ] - [ 0.5538230000000001, -0.3570184900000000, 0.6352333900000000 ] - [ -0.7721257100000000, 1.1525366099999999, -0.0056536400000000 ] - [ -0.3521073800000000, -0.7967192600000000, 1.2042552499999999 ] - [ -0.3377727700000000, 0.8249036000000000, 1.1092095899999999 ] - [ 1.0907990600000002, -0.0337153500000000, -1.0093493400000000 ] - # 84 - [ -0.0720750200000000, -0.2069757200000000, 0.2234054600000000 ] - [ 0.0129754400000000, 0.1770989600000000, 0.0018634300000000 ] - [ 0.0499785700000000, 0.2313811200000000, 0.3063121100000000 ] - [ -0.1147360600000000, -0.1739134500000000, -0.4206665100000000 ] - [ -0.0405103100000000, -0.0754086000000000, 0.4403380200000000 ] - [ 0.4273183700000000, 0.2204172100000000, -0.3023975200000000 ] - [ -0.1687571600000000, -0.0379068900000000, 0.0535294100000000 ] - [ -0.0961037100000000, -0.0167134600000000, 0.1981243400000000 ] - [ -0.0699239400000000, -0.1806770300000000, -0.2682607600000000 ] - [ -0.0523880300000000, -0.2322599000000000, -0.0197817100000000 ] - [ 0.4992217900000000, -0.1655114600000000, 0.2236617400000000 ] - [ 0.5887092200000000, -0.3210932500000000, 0.3165942100000000 ] - [ 0.2086470200000000, -0.1417278600000000, 0.0084725500000000 ] - [ 0.3287983300000000, 0.1373023100000000, 0.1646105600000000 ] - [ 0.2557845400000000, 0.0830074600000000, 0.0280197600000000 ] - [ -0.1507312300000000, -0.3740259900000000, -0.3299779100000000 ] - [ -0.5168938399999999, -0.2295083500000000, 0.3016309400000000 ] - [ 0.5831232400000000, 0.5658764700000001, -0.5444010900000000 ] - [ -0.3401754000000000, 0.0016571500000000, 0.3414103700000000 ] - [ -0.3967021000000000, 0.0820030800000000, 0.0840215800000000 ] - [ -0.1613666200000000, 0.4075332300000000, -0.5562190700000000 ] - [ 0.0483815700000000, 0.3112583400000000, -0.5298424199999999 ] - [ -0.4894760300000000, -0.2521418300000000, -0.3164736500000001 ] - 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[ 0.9467035900000000, 0.5595392600000000, 0.5168845999999999 ] - # 85 - [ 0.2680329300000000, 0.0015961500000000, 0.3116784000000000 ] - [ 0.1367337200000000, 0.2081235400000000, -0.0758737900000000 ] - [ 0.0071131900000000, -0.3414144900000000, 0.1410937600000000 ] - [ 0.0841649200000000, -0.3201731200000000, -0.1238647300000000 ] - [ 0.1472956100000000, 0.3167622100000000, -0.0678663900000000 ] - [ 0.5605041700000000, 0.3497895500000000, -0.3990533300000000 ] - [ -0.0790799100000000, 0.0736840300000000, -0.1665703000000000 ] - [ -0.0056322400000000, 0.0656462100000000, -0.3481357900000000 ] - [ 0.1274490800000000, 0.0958499300000000, 0.1573292500000000 ] - [ 0.0479742600000000, 0.1566275900000000, -0.1364819600000000 ] - [ -0.1776979500000000, 0.4037564600000000, -0.2787295200000000 ] - [ 0.2679753400000000, -0.1463332700000000, 0.0167316700000000 ] - [ 0.3426777200000000, -0.4031581600000000, 0.3659595500000000 ] - [ -0.1739581000000000, 0.0466192000000000, -0.1040807800000000 ] - [ -0.0451743100000000, -0.2568965900000000, -0.2365883600000000 ] - 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# 87 - [ 0.1567947800000000, -0.2490401500000000, 0.3346516400000000 ] - [ -0.5693648200000000, 0.2565609400000000, -0.5297289900000000 ] - [ -0.0469767500000000, 0.5002053300000000, 0.4966986400000000 ] - [ -0.1028221500000000, -0.0044357900000000, -0.2037986300000000 ] - [ -0.0576551700000000, 0.1144683100000000, 0.1534916000000000 ] - [ 0.2680503000000000, 0.0627623900000000, -0.1056617500000000 ] - [ 0.1614584000000000, 0.0971999100000000, -0.1729933800000000 ] - [ 0.3010667200000000, 0.2567008400000000, -0.0505896500000000 ] - [ -0.0073446300000000, -0.8201021100000000, -0.4569521400000000 ] - [ -0.0971717400000000, -0.2983007800000000, 0.0731061200000000 ] - [ 0.0735097100000000, -0.2444143900000000, -0.0192363300000000 ] - [ -0.3852013800000000, 0.0579735500000000, -0.0847686400000000 ] - [ -0.1546515100000000, 0.1512028800000000, 0.1121235600000000 ] - [ 0.1733416900000000, -0.0462375800000000, 0.1098897700000000 ] - [ 0.0285385800000000, -0.2996258900000000, -0.0721424900000000 ] - 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[ 0.3677517400000000, -0.1556264900000000, 0.0252343900000000 ] - [ 0.0723052500000000, -0.0364323700000000, 0.2547700300000000 ] - [ -0.2091745900000000, 0.1903539700000000, -0.0929158800000000 ] - [ -0.0280779000000000, -0.6758395600000000, -0.5225813600000000 ] - [ 0.1256076700000000, 0.4169138100000000, 0.5648668100000001 ] - [ 0.1147833500000000, 0.4070142900000000, -0.2153519600000000 ] - [ 0.2248924500000000, 0.3732623300000000, -0.1514933500000000 ] - [ 0.0521389200000000, -0.1041455900000000, 0.0617344300000000 ] - [ -0.0088819900000000, -0.0689739400000000, -0.0668019300000000 ] - [ 0.1956296900000000, 0.1226804300000000, -0.0045805900000000 ] - [ -0.0557697800000000, -0.0488963700000000, -0.0067765900000000 ] - [ 0.0234057000000000, -0.1436475700000000, -0.1010758800000000 ] - [ -0.1089315700000000, 0.0773256700000000, 0.0453315600000000 ] - [ 0.0387871700000000, -0.0165486400000000, -0.0172123700000000 ] - [ 0.0628857400000000, -0.0558966700000000, 0.0112651500000000 ] - [ -0.0875258900000000, -0.0292036200000000, -0.0514822100000000 ] - [ 0.0049137200000000, 0.0543572100000000, 0.0259662000000000 ] - [ 0.0821159100000000, 0.1039247800000000, -0.0024263200000000 ] - [ -0.0693904300000000, -0.0327401400000000, -0.1273450700000000 ] - [ -1.5669432699999999, -0.2324268200000000, 0.0127962000000000 ] - [ 0.6541106600000001, -0.7063974999999999, 0.4992023600000000 ] - [ -0.6814611100000000, 0.8368703800000000, 0.9190749700000000 ] - [ -0.3336030400000000, -1.0093894699999999, 0.6496034900000001 ] - [ -0.0735561700000000, -0.3930044100000000, -0.5955439500000000 ] - [ 0.3507261900000000, 1.1340208700000001, -0.6851632200000001 ] - # 99 - [ -0.0420129500000000, 0.3595029200000000, -0.2053001900000000 ] - [ 0.4120209200000000, -0.2395049100000000, 0.2515813400000000 ] - [ 0.1413500100000000, 0.0005921000000000, 0.0142036300000000 ] - [ 0.2874577400000000, 0.1313362700000000, 0.0981488600000000 ] - [ 0.3422291700000000, 0.2978222500000000, -0.2683740400000000 ] - [ 0.3191178200000000, -0.0880643100000000, -0.1919916400000000 ] - [ 0.3078586300000000, 0.2126429000000000, -0.3562176500000000 ] - [ -0.3282482300000000, -0.1913740700000000, 0.0839174700000000 ] - [ 0.1482790100000000, -0.0119399000000000, -0.0039752100000000 ] - [ 0.0608450900000000, -0.2688510200000000, -0.0395115500000000 ] - [ 0.1387061300000000, -0.1475309500000000, 0.1989886600000000 ] - [ 0.2574516700000000, -0.0860255100000000, -0.0666372600000000 ] - [ -0.1906146000000000, 0.0129461700000000, 0.0286516600000000 ] - [ 0.0360368900000000, 0.1357822800000000, -0.3004851200000000 ] - [ -0.1094097900000000, 0.2960542100000000, 0.3124679800000000 ] - [ 0.0330227500000000, -0.1523855200000000, 0.0462417400000000 ] - [ 0.1353891700000000, 0.0103224900000000, 0.4311741700000000 ] - [ -0.0837350400000000, 0.1171806900000000, 0.0362417700000000 ] - [ -0.0699998300000000, 0.1078385300000000, -0.1713131000000000 ] - [ 0.1459510900000000, -0.1763372400000000, -0.0936910100000000 ] - [ -0.1704439200000000, 0.5392764499999999, -0.5174092300000001 ] - [ -0.0013053200000000, 0.1466975100000000, 0.1198856600000000 ] - [ 0.0623353900000000, 0.3909513600000000, 0.2167657700000000 ] - [ -0.5543823000000000, -0.2545295500000000, -0.2355754200000000 ] - [ -0.4582579700000000, 0.0115892300000000, -0.2723363500000000 ] - [ 0.0758932100000000, 0.1959747000000000, 0.2304290600000000 ] - [ -0.0388768200000000, -0.1566912800000000, 0.0801221400000000 ] - [ -0.1152620500000000, 0.6001434800000001, -0.3407021800000000 ] - [ -0.2875090500000000, 0.1296286000000000, 0.1427588800000000 ] - [ -0.3891415400000000, 0.0928065000000000, 0.1080280000000000 ] - [ 0.2409565400000000, -0.3051668600000000, 0.4051763900000000 ] - [ -0.3023450000000000, -0.0173677400000000, -0.0065153500000000 ] - [ 0.0925239600000000, 0.4166233100000000, 0.3017108200000000 ] - [ 0.3109816500000000, -0.5711144800000000, -0.2548914800000000 ] - [ -0.1452214000000000, -0.2853085900000000, 0.0991562400000000 ] - [ 0.5916817500000000, 0.0331385500000000, -0.4015665500000000 ] - [ -0.0363473100000000, 0.1373382900000000, 0.0096462600000000 ] - [ -0.0029096800000000, 0.0514489500000000, 0.1557834200000000 ] - [ 0.1216475300000000, -0.0965131800000000, 0.0739652500000000 ] - [ -0.0178901400000000, -0.0139171400000000, 0.0034512600000000 ] - [ 0.0516632300000000, 0.0132077300000000, -0.1070995900000000 ] - [ 0.1889318100000000, -0.0278044200000000, -0.0203310000000000 ] - [ -0.0102492500000000, 0.1360541000000000, 0.0107863200000000 ] - [ -0.0625281900000000, 0.0760739900000000, 0.0554149400000000 ] - [ -0.0311857600000000, 0.0139654700000000, 0.0494608100000000 ] - [ -0.0174044800000000, -0.0074262700000000, -0.0419411200000000 ] - [ -0.0093183700000000, -0.0139905000000000, 0.0594541600000000 ] - [ 0.1564473600000000, -0.0327064800000000, -0.0543978600000000 ] - [ -0.2541996900000000, -1.0946803699999998, -0.2269600000000000 ] - [ -1.0301075799999999, 0.0335852700000000, -0.0020706000000000 ] - [ -0.8575223900000000, 0.0185713800000000, -0.6274585499999999 ] - [ -0.6906319100000000, 1.0777855500000000, 0.6476035300000000 ] - [ 1.0731487600000000, 0.2960373800000000, 0.0822420300000000 ] - [ 0.5751332900000000, -1.8536883399999999, 0.4532937900000000 ] - # 100 - [ -0.0951794400000000, -0.0929006100000000, -0.1364154800000000 ] - [ -0.2059286200000000, 0.1927323400000000, 0.0081736200000000 ] - [ -0.0558189900000000, 0.1528065000000000, -0.1998614800000000 ] - [ 0.0257962600000000, -0.5846113000000001, -0.2673248100000000 ] - [ -0.1037515900000000, -0.1037966400000000, 0.0449668100000000 ] - [ -0.0226445800000000, -0.1813215800000000, -0.1188979700000000 ] - [ -0.0358487800000000, 0.1964592500000000, -0.3324982600000000 ] - [ 0.0695371800000000, -0.1786068100000000, 0.1693231500000000 ] - [ 0.1606184700000000, 0.5102917200000000, 0.0611472200000000 ] - [ 0.0658758400000000, 0.2808694900000000, 0.4193179900000000 ] - [ 0.5195180500000001, -0.2042716900000000, 0.2971095900000000 ] - [ 0.3594465500000000, -0.0379665900000000, 0.4240603600000000 ] - [ 0.2609710700000000, -0.1323723700000000, 0.3397275200000000 ] - [ -0.1912365000000000, 0.0940678300000000, -0.3567792000000000 ] - [ 0.1239713200000000, 0.5098260600000001, 0.4469766000000000 ] - [ -0.2869294400000000, -0.1789080200000000, -0.1758421300000000 ] - [ -0.1710975500000000, -0.0511697400000000, 0.2978858400000000 ] - [ -0.5723522200000000, -0.1376270600000000, 0.1917452100000000 ] - [ -0.2128397200000000, 0.1268722000000000, 0.2243063700000000 ] - [ 0.0884940100000000, -0.1054836600000000, 0.2584604300000000 ] - [ -0.0505704800000000, 0.2050249900000000, -0.1227519100000000 ] - [ -0.1643645200000000, 0.3336519200000000, -0.2665120900000000 ] - [ -0.5577021400000000, -0.2924607000000000, -0.5050518700000000 ] - [ -0.1817582400000000, 0.0891756800000000, 0.4097489100000000 ] - [ 0.3274842500000000, -0.0697642100000000, 0.5036197400000000 ] - [ 0.2213764100000000, 0.0919980900000000, 0.1693999900000000 ] - [ -0.1665498200000000, -0.1361784300000000, 0.3611698700000000 ] - [ -0.1550752200000000, 0.5891789500000001, -0.3063858000000000 ] - [ -0.3756365900000000, -0.1264827900000000, 0.3149800100000000 ] - [ -0.0712411800000000, 0.0387753300000000, 0.1337955600000000 ] - [ 0.1966033800000000, -0.1938844100000000, 0.2002032500000000 ] - [ 0.1903068900000000, -0.1126651400000000, -0.0755485300000000 ] - [ 0.0619240400000000, 0.3793679300000000, 0.0385670800000000 ] - [ -0.1116164600000000, 0.7828285900000000, 0.4353110400000000 ] - [ 0.1781535000000000, 0.2234144900000000, -0.3207971300000000 ] - [ 0.2218517500000000, 0.0049648600000000, -0.2071933600000000 ] - [ -0.1099135900000000, 0.0367672600000000, -0.0014463700000000 ] - [ 0.1090777100000000, -0.0356165200000000, 0.0634595100000000 ] - [ 0.0244410900000000, 0.0538795500000000, -0.0858662900000000 ] - [ -0.0164396600000000, -0.0564932000000000, -0.0927162100000000 ] - [ 0.2369293500000000, -0.0388448600000000, 0.0403042300000000 ] - [ 0.0381635900000000, 0.0445777900000000, -0.0915615900000000 ] - [ 0.0343409000000000, -0.0014262000000000, -0.1458135200000000 ] - [ 0.0258228200000000, 0.0126581800000000, 0.0273025000000000 ] - [ -0.0324618100000000, 0.0492679900000000, -0.1029857400000000 ] - [ -0.0365090600000000, 0.0160578400000000, 0.0970546300000000 ] - [ -0.0501224400000000, -0.0168212000000000, -0.0590185000000000 ] - [ -0.0825649900000000, 0.0927168700000000, 0.0389710300000000 ] - [ 0.0239892700000000, -0.4050158600000000, -0.7603423100000000 ] - [ 1.1623440500000000, 0.6799876100000001, 0.7343497299999999 ] - [ -1.1078789700000000, -0.8807735799999999, -0.0039709800000000 ] - [ -0.6915150600000001, -0.6996609900000000, -1.0824869800000001 ] - [ 0.3097028100000000, 0.0908680700000000, -1.3761480400000001 ] - [ 0.8788071100000000, -0.8239632300000000, 0.4427787400000000 ] - # 101 - [ 0.2046392000000000, -0.1274950100000000, -0.1886575000000000 ] - [ -0.1188449000000000, 0.2341810600000000, -0.1126591400000000 ] - [ -0.0586552300000000, 0.1672959900000000, -0.2612974200000000 ] - [ -0.1177784600000000, -0.3536752200000000, -0.3153092400000000 ] - [ 0.1867913000000000, 0.0781234500000000, -0.3396862900000000 ] - [ 0.1574797800000000, -0.0688243500000000, 0.1601400700000000 ] - [ 0.3878705900000000, 0.2675737600000000, -0.1992712700000000 ] - [ -0.2121757400000000, -0.2858859400000000, 0.0949762800000000 ] - [ 0.2128654300000000, -0.8294205300000000, -0.5139193200000000 ] - [ -0.0039979100000000, 0.2092060300000000, 0.3083359100000000 ] - [ -0.5076373399999999, 0.2253276800000000, -0.5389726500000001 ] - [ -0.1957761400000000, 0.2575055000000000, 0.0144875800000000 ] - [ 0.3589768400000000, -0.0001039400000000, 0.0835453300000000 ] - [ 0.3442539100000001, -0.0328373000000000, 0.2906695500000000 ] - [ 0.2250155000000000, 0.2866135800000000, 0.0250275600000000 ] - [ -0.0097255700000000, -0.3543416300000000, -0.2644603700000000 ] - [ -0.0308525000000000, 0.0678504100000000, -0.3002582500000000 ] - [ -0.2641899600000000, -0.2668070000000000, 0.4568131500000000 ] - [ -0.5216831900000000, 0.0630514800000000, 0.3246785400000000 ] - [ -0.0913132300000000, 0.1692804800000000, -0.3663617600000000 ] - [ -0.0419941400000000, 0.3254187800000000, 0.0623490800000000 ] - [ 0.0059971700000000, -0.4111121900000000, 0.0424410400000000 ] - [ -0.0624060900000000, -0.1571159000000000, -0.1460003000000000 ] - [ 0.0662679600000000, -0.2266729000000000, -0.2998174600000000 ] - [ -0.4735383600000000, 0.0142237700000000, -0.4051059100000000 ] - [ -0.4382011200000000, -0.1519413500000000, -0.1819860200000000 ] - [ -0.3183642600000000, -0.3383312800000000, 0.2091041200000000 ] - [ -0.0407415000000000, 0.0384556600000000, 0.1941583400000000 ] - [ 0.1856377800000000, 0.0033448500000000, 0.0986312100000000 ] - [ -0.1603176600000000, 0.1449686300000000, 0.1546127700000000 ] - [ -0.1380202700000000, 0.1800930300000000, -0.2971715100000000 ] - [ -0.3600757500000000, -0.0387954800000000, -0.4107505000000000 ] - [ 0.2251871900000000, -0.4187622100000000, -0.0939771800000000 ] - [ -0.3611094000000000, -0.0976240500000000, -0.1492071800000000 ] - [ 0.1067798200000000, 0.1198502600000000, 0.1303383600000000 ] - [ -0.2348578600000000, -0.2074253300000000, 0.2490630000000000 ] - [ 0.0789967700000000, -0.1446819100000000, 0.0335112200000000 ] - [ 0.0051429500000000, -0.0480244200000000, 0.0263509700000000 ] - [ 0.1345850000000000, 0.0244646700000000, -0.0154043500000000 ] - [ -0.0618445500000000, 0.0059821700000000, -0.0596135900000000 ] - [ -0.0326961500000000, 0.0011983200000000, 0.1356111100000000 ] - [ -0.1191024400000000, -0.0725241400000000, 0.0371070600000000 ] - [ 0.0465050600000000, 0.0408799600000000, 0.1203558900000000 ] - [ 0.0149099200000000, 0.0026544100000000, -0.1846814500000000 ] - [ -0.0701543400000000, -0.0448011500000000, 0.1161253500000000 ] - [ -0.1319526800000000, -0.0045109100000000, -0.0643216000000000 ] - [ 0.0473735500000000, -0.0129101600000000, 0.0135428900000000 ] - [ 0.0159180200000000, -0.0105047800000000, 0.0069431300000000 ] - [ -0.9471478000000000, -0.3797280100000000, 0.8003765600000000 ] - [ 0.0826625900000000, 0.9461441500000001, -0.1778713800000000 ] - [ -0.2596133600000000, 0.5473138500000000, 1.4727004800000001 ] - [ 1.4813006800000001, 0.2496764000000000, -0.0367520300000000 ] - [ 0.5946259000000000, 0.8466672199999999, 0.6037788399999999 ] - [ 1.2149850000000002, -0.4324884600000000, -0.3422617100000000 ] - # 102 - [ -0.3283082300000000, 0.0710815300000000, -0.2257715700000000 ] - [ 0.2528236200000000, -0.5225764100000000, 0.3147949700000000 ] - [ -0.0920374600000000, 0.0073270000000000, -0.0350627300000000 ] - [ -0.0454224700000000, -0.2337673000000000, -0.0117495700000000 ] - [ 0.1761136400000000, -0.0689904300000000, -0.1876468800000000 ] - [ -0.2441948700000000, -0.3483026900000000, 0.0184817400000000 ] - [ 0.5242573000000000, 0.2928459300000000, -0.3239488400000000 ] - [ 0.1043476200000000, 0.0058140300000000, 0.0564611800000000 ] - [ -0.0868414600000000, 0.5914360600000000, 0.5347410500000001 ] - [ 0.1277088000000000, -0.2837027900000000, -0.2329644700000000 ] - [ 0.2337689600000000, -0.0993422700000000, 0.3039403000000000 ] - [ -0.0621069400000000, 0.0787545000000000, -0.1621369700000000 ] - [ 0.1398073700000000, -0.1153087000000000, 0.3841226800000000 ] - [ -0.2929006700000000, 0.0068736000000000, -0.3240102400000000 ] - [ 0.0249056200000000, 0.4993716600000000, 0.5543657500000000 ] - [ -0.1140160700000000, -0.0908383000000000, 0.1811438300000000 ] - [ -0.3402448200000000, -0.2322302100000000, 0.2901244200000000 ] - [ 0.3550263700000000, 0.0854108800000000, -0.4301995700000000 ] - [ -0.1385194200000000, 0.3703001700000000, -0.0072250100000000 ] - [ -0.3119801400000000, -0.0811762900000000, 0.0430553500000000 ] - [ 0.1244925300000000, 0.5956371399999999, -0.5737510300000001 ] - [ -0.0364339500000000, -0.6926899099999999, 0.2373997900000000 ] - [ -0.4106682000000000, -0.1265728900000000, -0.2138504800000000 ] - [ 0.1711067900000000, 0.0945324000000000, 0.1041442600000000 ] - [ -0.1472990900000000, -0.2111777900000000, -0.0925974600000000 ] - [ 0.5748028700000000, 0.2558354500000000, 0.4849615600000000 ] - [ 0.0604816400000000, 0.1366301100000000, -0.3449136700000000 ] - [ -0.1304745700000000, -0.1401825000000000, 0.3554860900000000 ] - [ -0.2452315800000000, -0.0504427700000000, -0.0152300300000000 ] - [ -0.6336478800000001, 0.2221799000000000, 0.5574598700000001 ] - [ -0.3876279900000000, 0.1227927300000000, -0.3676245700000000 ] - [ 0.3130111700000000, -0.0497525900000000, 0.4846371100000000 ] - [ -0.2231532900000000, 0.3878081500000000, 0.2974826700000000 ] - [ 0.1921941200000000, -0.1206650700000000, 0.2381967700000000 ] - [ 0.4717599700000000, 0.4328929400000000, -0.3305342500000000 ] - [ 0.1042284500000000, 0.1700797300000000, 0.3260596400000000 ] - [ 0.1326989300000000, 0.0398976700000000, -0.0313765700000000 ] - [ 0.0655866500000000, 0.0542592600000000, -0.1028315200000000 ] - [ -0.0562896000000000, 0.0034297000000000, 0.0494338400000000 ] - [ -0.0430241000000000, 0.0976163500000000, -0.0690631100000000 ] - [ -0.0511729000000000, -0.1041907800000000, 0.0198182300000000 ] - [ 0.0974416100000000, -0.1418378000000000, -0.0887456100000000 ] - [ 0.0197685700000000, -0.1486204000000000, -0.0418908700000000 ] - [ 0.0698138300000000, 0.0125465300000000, 0.0517075900000000 ] - [ -0.0872519300000000, 0.0578593600000000, 0.0004473000000000 ] - [ 0.0610069600000000, 0.0197173600000000, -0.0445764300000000 ] - [ -0.0975032500000000, -0.0099099900000000, -0.0027504600000000 ] - [ -0.0797558800000000, 0.0482906000000000, 0.0010832000000000 ] - [ 0.3965027800000000, -0.1916633300000000, -0.7775532100000000 ] - [ -0.0116910900000000, 1.1064544800000000, 0.2393722500000000 ] - [ -0.4402597500000000, -1.7504133400000002, -0.0957077600000000 ] - [ -0.7582676100000001, 0.1557693600000000, -0.6154835500000000 ] - [ 0.5053438700000000, 0.9171760000000000, 0.1408930700000000 ] - [ 0.5973251900000000, -1.1262660499999999, -0.5206180900000000 ] - # 103 - [ -0.4452102100000000, 0.2687833400000000, -0.2547982900000000 ] - [ -0.0086863300000000, 0.0565843000000000, -0.3325294400000000 ] - [ -0.2501856400000000, -0.2257449500000000, -0.2307319800000000 ] - [ -0.0931493700000000, 0.2722554400000000, -0.0736529700000000 ] - [ 0.2278502600000000, 0.3590877600000000, -0.2854334400000000 ] - [ -0.0981870700000000, 0.1284615100000000, -0.2123378200000000 ] - [ 0.2103476400000000, 0.0855350900000000, 0.0564451700000000 ] - 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[ -0.1793903700000000, -0.6539051100000000, 0.3851968500000000 ] - # 106 - [ -0.0351963300000000, 0.2059258900000000, -0.1294151200000000 ] - [ -0.0871176500000000, -0.1004655400000000, 0.0806747100000000 ] - [ 0.1720440700000000, 0.4483620800000000, 0.4682914700000000 ] - [ 0.0060982300000000, -0.3208741300000000, -0.0622874600000000 ] - [ -0.6197227599999999, -0.2915910700000000, 0.6210841600000001 ] - [ 0.0484752300000000, -0.1308789800000000, -0.1900824400000000 ] - [ -0.3176193500000000, -0.2967381800000000, 0.2039153900000000 ] - [ 0.3745673200000000, 0.1693787800000000, -0.3366542800000000 ] - [ -0.0288729000000000, -0.4053846600000000, -0.4995472000000000 ] - [ 0.1288974800000000, -0.5592370500000000, -0.1984894600000000 ] - [ 0.0235136300000000, 0.0814684600000000, 0.1380975700000000 ] - [ -0.1540027500000000, 0.1466854000000000, 0.0750678200000000 ] - [ -0.0705050500000000, 0.1531227700000000, -0.1403648400000000 ] - [ 0.0179439200000000, -0.2947373300000000, -0.0716653900000000 ] - 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