# Fileset [phonopy_training_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/2c74d309-fb19-4edf-96bf-d444ca4ad907/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 Al(HO)3 / P2_1/c (14) / materials id 560572](https://mdr.nims.go.jp/datasets/988c013b-8384-4013-80a0-75336af1e533) ## Fulltext phonopy: version: "2.24.2" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, -0.000000000000000 ]- [ 0.000000000000000, 1.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.998172760231638, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.681856770000001, 0.000000000000000 ] # b - [ -4.919815739581461, 0.000000000000000, 9.159229126040824 ] # c points: - symbol: Al # 1 coordinates: [ 0.952072710000003, 0.165505950000002, 0.496238210000003 ] mass: 26.981539 - symbol: Al # 2 coordinates: [ 0.539402029999998, 0.664245360000001, 0.503669159999997 ] mass: 26.981539 - symbol: Al # 3 coordinates: [ 0.952072710000003, 0.334494049999998, 0.996238210000003 ] mass: 26.981539 - symbol: Al # 4 coordinates: [ 0.539402029999998, 0.835754639999999, 0.003669159999997 ] mass: 26.981539 - symbol: Al # 5 coordinates: [ 0.047927289999997, 0.665505950000002, 0.003761789999997 ] mass: 26.981539 - symbol: Al # 6 coordinates: [ 0.460597970000002, 0.335754639999999, 0.496330840000003 ] mass: 26.981539 - symbol: Al # 7 coordinates: [ 0.460597970000002, 0.164245360000002, 0.996330840000003 ] mass: 26.981539 - symbol: Al # 8 coordinates: [ 0.047927289999997, 0.834494049999998, 0.503761789999997 ] mass: 26.981539 - symbol: H # 9 coordinates: [ 0.139116519999995, 0.083270770000000, 0.114911069999995 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.505722899999994, 0.261042319999999, 0.281457290000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.555319209999993, 0.549272719999998, 0.872154239999993 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.802892429999999, 0.899744870000003, 0.656043950000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.494277100000006, 0.761042319999999, 0.218542710000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.246972369999996, 0.504894289999995, 0.287094699999996 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.444680790000007, 0.450727280000002, 0.127845760000007 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.880057999999996, 0.205648969999997, 0.713230259999996 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.494277100000006, 0.738957680000001, 0.718542710000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.555319209999993, 0.950727280000002, 0.372154239999993 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.860883480000005, 0.916729230000000, 0.885088930000005 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.197107570000001, 0.100255129999997, 0.343956050000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.444680790000007, 0.049272719999998, 0.627845760000007 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.802892429999999, 0.600255129999997, 0.156043949999999 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.119942000000004, 0.794351030000003, 0.286769740000004 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.197107570000001, 0.399744870000003, 0.843956050000000 ] mass: 1.007940 - symbol: H # 25 coordinates: [ 0.753027630000004, 0.495105710000005, 0.712905300000004 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.753027630000004, 0.004894289999995, 0.212905300000004 ] mass: 1.007940 - symbol: H # 27 coordinates: [ 0.246972369999996, 0.995105710000005, 0.787094699999996 ] mass: 1.007940 - symbol: H # 28 coordinates: [ 0.505722899999994, 0.238957680000001, 0.781457290000000 ] mass: 1.007940 - symbol: H # 29 coordinates: [ 0.139116519999995, 0.416729230000000, 0.614911069999995 ] mass: 1.007940 - symbol: H # 30 coordinates: [ 0.119942000000004, 0.705648969999997, 0.786769740000004 ] mass: 1.007940 - symbol: H # 31 coordinates: [ 0.860883480000005, 0.583270770000000, 0.385088930000005 ] mass: 1.007940 - symbol: H # 32 coordinates: [ 0.880057999999996, 0.294351030000003, 0.213230259999996 ] mass: 1.007940 - symbol: O # 33 coordinates: [ 0.242338079999998, 0.176313919999996, 0.105518639999998 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.243082009999993, 0.014351040000000, 0.613445899999997 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.254976209999993, 0.987808370000004, 0.884835289999994 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.745023790000007, 0.012191629999996, 0.115164710000006 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.146391659999995, 0.305414979999998, 0.878892469999995 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.745023790000007, 0.487808370000004, 0.615164710000006 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.648070919999993, 0.198103160000001, 0.879942550000002 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.853608340000005, 0.805414979999998, 0.621107530000005 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.351929080000007, 0.801896839999999, 0.120057449999998 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.756917990000007, 0.514351040000000, 0.886554100000003 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.757661920000003, 0.823686080000005, 0.894481360000002 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.243082009999993, 0.485648960000000, 0.113445899999997 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.757661920000003, 0.676313919999995, 0.394481360000002 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.242338079999998, 0.323686080000004, 0.605518639999998 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.853608340000005, 0.694585020000002, 0.121107530000005 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.351929080000007, 0.698103160000001, 0.620057449999998 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.146391659999995, 0.194585020000002, 0.378892469999995 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.648070919999993, 0.301896839999999, 0.379942550000002 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.742381139999999, 0.329310590000001, 0.111138530000001 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.257618860000001, 0.829310590000001, 0.388861469999999 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.756917990000007, 0.985648960000000, 0.386554100000003 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.742381139999999, 0.170689409999999, 0.611138530000001 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.254976209999993, 0.512191629999996, 0.384835289999994 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.257618860000001, 0.670689409999999, 0.888861469999999 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.200073116310941, 0.000000000000000, 0.107467872366587 ] # a* - [ 0.000000000000000, 0.115182734119213, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.109179493845926 ] # c*unit_cell: lattice: - [ 4.998172760231638, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.681856770000001, 0.000000000000000 ] # b - [ -4.919815739581461, 0.000000000000000, 9.159229126040824 ] # c points: - symbol: Al # 1 coordinates: [ 0.952072710000003, 0.165505950000002, 0.496238210000003 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.539402029999998, 0.664245360000001, 0.503669159999997 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.952072710000003, 0.334494049999998, 0.996238210000003 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.539402029999998, 0.835754639999999, 0.003669159999997 ] mass: 26.981539 reduced_to: 4 - symbol: Al # 5 coordinates: [ 0.047927289999997, 0.665505950000002, 0.003761789999997 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.460597970000002, 0.335754639999999, 0.496330840000003 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.460597970000002, 0.164245360000002, 0.996330840000003 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.047927289999997, 0.834494049999998, 0.503761789999997 ] mass: 26.981539 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.139116519999995, 0.083270770000000, 0.114911069999995 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.505722899999994, 0.261042319999999, 0.281457290000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.555319209999993, 0.549272719999998, 0.872154239999993 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.802892429999999, 0.899744870000003, 0.656043950000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.494277100000006, 0.761042319999999, 0.218542710000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.246972369999996, 0.504894289999995, 0.287094699999996 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.444680790000007, 0.450727280000002, 0.127845760000007 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.880057999999996, 0.205648969999997, 0.713230259999996 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.494277100000006, 0.738957680000001, 0.718542710000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.555319209999993, 0.950727280000002, 0.372154239999993 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.860883480000005, 0.916729230000000, 0.885088930000005 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.197107570000001, 0.100255129999997, 0.343956050000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.444680790000007, 0.049272719999998, 0.627845760000007 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.802892429999999, 0.600255129999997, 0.156043949999999 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.119942000000004, 0.794351030000003, 0.286769740000004 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.197107570000001, 0.399744870000003, 0.843956050000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.753027630000004, 0.495105710000005, 0.712905300000004 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.753027630000004, 0.004894289999995, 0.212905300000004 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.246972369999996, 0.995105710000005, 0.787094699999996 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.505722899999994, 0.238957680000001, 0.781457290000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.139116519999995, 0.416729230000000, 0.614911069999995 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.119942000000004, 0.705648969999997, 0.786769740000004 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.860883480000005, 0.583270770000000, 0.385088930000005 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.880057999999996, 0.294351030000003, 0.213230259999996 ] mass: 1.007940 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.242338079999998, 0.176313919999996, 0.105518639999998 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.243082009999993, 0.014351040000000, 0.613445899999997 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.254976209999993, 0.987808370000004, 0.884835289999994 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.745023790000007, 0.012191629999996, 0.115164710000006 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.146391659999995, 0.305414979999998, 0.878892469999995 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.745023790000007, 0.487808370000004, 0.615164710000006 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.648070919999993, 0.198103160000001, 0.879942550000002 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.853608340000005, 0.805414979999998, 0.621107530000005 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.351929080000007, 0.801896839999999, 0.120057449999998 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.756917990000007, 0.514351040000000, 0.886554100000003 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.757661920000003, 0.823686080000005, 0.894481360000002 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.243082009999993, 0.485648960000000, 0.113445899999997 ] mass: 15.999400 reduced_to: 44 - 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symbol: O # 54 coordinates: [ 0.742381139999999, 0.170689409999999, 0.611138530000001 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.254976209999993, 0.512191629999996, 0.384835289999994 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.257618860000001, 0.670689409999999, 0.888861469999999 ] mass: 15.999400 reduced_to: 56supercell: lattice: - [ 9.996345520463276, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.681856770000001, 0.000000000000000 ] # b - [ -4.919815739581461, 0.000000000000000, 9.159229126040824 ] # c points: - symbol: Al # 1 coordinates: [ 0.476036355000002, 0.165505950000002, 0.496238210000003 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.976036355000002, 0.165505950000002, 0.496238210000003 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 3 coordinates: [ 0.269701014999999, 0.664245360000001, 0.503669159999997 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.769701014999999, 0.664245360000001, 0.503669159999997 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 5 coordinates: [ 0.476036355000002, 0.334494049999998, 0.996238210000003 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.976036355000002, 0.334494049999998, 0.996238210000003 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 7 coordinates: [ 0.269701014999999, 0.835754639999999, 0.003669159999997 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.769701014999999, 0.835754639999999, 0.003669159999997 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 9 coordinates: [ 0.023963644999998, 0.665505950000002, 0.003761789999997 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.523963644999998, 0.665505950000002, 0.003761789999997 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 11 coordinates: [ 0.230298985000001, 0.335754639999999, 0.496330840000003 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.730298985000001, 0.335754639999999, 0.496330840000003 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 13 coordinates: [ 0.230298985000001, 0.164245360000002, 0.996330840000003 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.730298985000001, 0.164245360000002, 0.996330840000003 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 15 coordinates: [ 0.023963644999998, 0.834494049999998, 0.503761789999997 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.523963644999998, 0.834494049999998, 0.503761789999997 ] mass: 26.981539 reduced_to: 15 - symbol: H # 17 coordinates: [ 0.069558259999997, 0.083270770000000, 0.114911069999995 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.569558259999998, 0.083270770000000, 0.114911069999995 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.252861449999997, 0.261042319999999, 0.281457290000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.752861449999997, 0.261042319999999, 0.281457290000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 21 coordinates: [ 0.277659604999996, 0.549272719999998, 0.872154239999993 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.777659604999996, 0.549272719999998, 0.872154239999993 ] mass: 1.007940 reduced_to: 21 - 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symbol: H # 32 coordinates: [ 0.940028999999998, 0.205648969999997, 0.713230259999996 ] mass: 1.007940 reduced_to: 31 - symbol: H # 33 coordinates: [ 0.247138550000003, 0.738957680000001, 0.718542710000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.747138550000003, 0.738957680000001, 0.718542710000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.277659604999996, 0.950727280000002, 0.372154239999993 ] mass: 1.007940 reduced_to: 35 - symbol: H # 36 coordinates: [ 0.777659604999996, 0.950727280000002, 0.372154239999993 ] mass: 1.007940 reduced_to: 35 - symbol: H # 37 coordinates: [ 0.430441740000003, 0.916729230000000, 0.885088930000005 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.930441740000002, 0.916729230000000, 0.885088930000005 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.098553785000001, 0.100255129999997, 0.343956050000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 40 coordinates: [ 0.598553785000000, 0.100255129999997, 0.343956050000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 41 coordinates: [ 0.222340395000003, 0.049272719999998, 0.627845760000007 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.722340395000003, 0.049272719999998, 0.627845760000007 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.401446214999999, 0.600255129999997, 0.156043949999999 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.901446215000000, 0.600255129999997, 0.156043949999999 ] mass: 1.007940 reduced_to: 43 - symbol: H # 45 coordinates: [ 0.059971000000002, 0.794351030000003, 0.286769740000004 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.559971000000002, 0.794351030000003, 0.286769740000004 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.098553785000001, 0.399744870000003, 0.843956050000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 48 coordinates: [ 0.598553785000000, 0.399744870000003, 0.843956050000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 49 coordinates: [ 0.376513815000002, 0.495105710000005, 0.712905300000004 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.876513815000002, 0.495105710000005, 0.712905300000004 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.376513815000002, 0.004894289999995, 0.212905300000004 ] mass: 1.007940 reduced_to: 51 - symbol: H # 52 coordinates: [ 0.876513815000002, 0.004894289999995, 0.212905300000004 ] mass: 1.007940 reduced_to: 51 - symbol: H # 53 coordinates: [ 0.123486184999998, 0.995105710000005, 0.787094699999996 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.623486184999998, 0.995105710000005, 0.787094699999996 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.252861449999997, 0.238957680000001, 0.781457290000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.752861449999997, 0.238957680000001, 0.781457290000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 57 coordinates: [ 0.069558259999997, 0.416729230000000, 0.614911069999995 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.569558259999998, 0.416729230000000, 0.614911069999995 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.059971000000002, 0.705648969999997, 0.786769740000004 ] mass: 1.007940 reduced_to: 59 - symbol: H # 60 coordinates: [ 0.559971000000002, 0.705648969999997, 0.786769740000004 ] mass: 1.007940 reduced_to: 59 - symbol: H # 61 coordinates: [ 0.430441740000003, 0.583270770000000, 0.385088930000005 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.930441740000002, 0.583270770000000, 0.385088930000005 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.440028999999998, 0.294351030000003, 0.213230259999996 ] mass: 1.007940 reduced_to: 63 - symbol: H # 64 coordinates: [ 0.940028999999998, 0.294351030000003, 0.213230259999996 ] mass: 1.007940 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.121169039999999, 0.176313919999996, 0.105518639999998 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.621169039999999, 0.176313919999996, 0.105518639999998 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.121541004999996, 0.014351040000000, 0.613445899999997 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.621541004999997, 0.014351040000000, 0.613445899999997 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.127488104999996, 0.987808370000004, 0.884835289999994 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.627488104999997, 0.987808370000004, 0.884835289999994 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.372511895000003, 0.012191629999996, 0.115164710000006 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.872511895000003, 0.012191629999996, 0.115164710000006 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.073195829999998, 0.305414979999998, 0.878892469999995 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.573195829999998, 0.305414979999998, 0.878892469999995 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.372511895000003, 0.487808370000004, 0.615164710000006 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.872511895000003, 0.487808370000004, 0.615164710000006 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.324035459999997, 0.198103160000001, 0.879942550000002 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.824035459999997, 0.198103160000001, 0.879942550000002 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.426804170000002, 0.805414979999998, 0.621107530000005 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.926804170000002, 0.805414979999998, 0.621107530000005 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.175964540000003, 0.801896839999999, 0.120057449999998 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.675964540000003, 0.801896839999999, 0.120057449999998 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.378458995000004, 0.514351040000000, 0.886554100000003 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.878458995000003, 0.514351040000000, 0.886554100000003 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.378830960000001, 0.823686080000005, 0.894481360000002 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.878830960000001, 0.823686080000005, 0.894481360000002 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.121541004999996, 0.485648960000000, 0.113445899999997 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.621541004999997, 0.485648960000000, 0.113445899999997 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.378830960000001, 0.676313919999995, 0.394481360000002 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.878830960000001, 0.676313919999995, 0.394481360000002 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.121169039999999, 0.323686080000004, 0.605518639999998 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.621169039999999, 0.323686080000004, 0.605518639999998 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.426804170000002, 0.694585020000002, 0.121107530000005 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.926804170000002, 0.694585020000002, 0.121107530000005 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.175964540000003, 0.698103160000001, 0.620057449999998 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.675964540000003, 0.698103160000001, 0.620057449999998 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.073195829999998, 0.194585020000002, 0.378892469999995 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.573195829999998, 0.194585020000002, 0.378892469999995 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.324035459999997, 0.301896839999999, 0.379942550000002 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.824035459999997, 0.301896839999999, 0.379942550000002 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.371190569999999, 0.329310590000001, 0.111138530000001 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.871190570000000, 0.329310590000001, 0.111138530000001 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.128809430000001, 0.829310590000001, 0.388861469999999 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.628809430000000, 0.829310590000001, 0.388861469999999 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.378458995000004, 0.985648960000000, 0.386554100000003 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.878458995000003, 0.985648960000000, 0.386554100000003 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.371190569999999, 0.170689409999999, 0.611138530000001 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.871190570000000, 0.170689409999999, 0.611138530000001 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.127488104999996, 0.512191629999996, 0.384835289999994 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.627488104999997, 0.512191629999996, 0.384835289999994 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.128809430000001, 0.670689409999999, 0.888861469999999 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.628809430000000, 0.670689409999999, 0.888861469999999 ] mass: 15.999400 reduced_to: 111nac: born_effective_charge: - # 1 (Al) - [ 2.928938980000000, -0.082808660000000, 0.007399379285714 ] - [ -0.023468760000000, 2.811700080714286, 0.068066960000000 ] - [ 0.002307820000000, 0.025835160000000, 2.681032279285715 ] - # 2 (Al) - [ 2.811832800000000, 0.070998340000000, -0.006028190714286 ] - [ 0.000374380000000, 2.929091410714285, -0.003685730000000 ] - [ 0.002072550000000, 0.018232810000000, 2.738487119285714 ] - # 3 (Al) - [ 2.928938980000000, 0.082808660000000, 0.007399379285714 ] - [ 0.023468760000000, 2.811700080714286, -0.068066960000000 ] - [ 0.002307820000000, -0.025835160000000, 2.681032279285715 ] - # 4 (Al) - [ 2.811832800000000, -0.070998340000000, -0.006028190714286 ] - [ -0.000374380000000, 2.929091410714285, 0.003685730000000 ] - [ 0.002072550000000, -0.018232810000000, 2.738487119285714 ] - # 5 (Al) - [ 2.928938980000000, 0.082808660000000, 0.007399379285714 ] - [ 0.023468760000000, 2.811700080714286, -0.068066960000000 ] - [ 0.002307820000000, -0.025835160000000, 2.681032279285715 ] - # 6 (Al) - [ 2.811832800000000, 0.070998340000000, -0.006028190714286 ] - [ 0.000374380000000, 2.929091410714285, -0.003685730000000 ] - [ 0.002072550000000, 0.018232810000000, 2.738487119285714 ] - # 7 (Al) - [ 2.811832800000000, -0.070998340000000, -0.006028190714286 ] - [ -0.000374380000000, 2.929091410714285, 0.003685730000000 ] - [ 0.002072550000000, -0.018232810000000, 2.738487119285714 ] - # 8 (Al) - [ 2.928938980000000, -0.082808660000000, 0.007399379285714 ] - [ -0.023468760000000, 2.811700080714286, 0.068066960000000 ] - [ 0.002307820000000, 0.025835160000000, 2.681032279285715 ] - # 9 (H) - [ 0.748853310000000, 0.127806030000000, -0.042405400714286 ] - [ 0.105804070000000, 0.522371100714285, -0.019165080000000 ] - [ -0.006470400000000, 0.009475230000000, 0.365415539285714 ] - # 10 (H) - [ 0.415297160000000, 0.055359590000000, 0.115151739285714 ] - [ 0.043463610000000, 0.446585700714285, 0.158261490000000 ] - [ 0.131891180000000, 0.211171070000000, 0.993020869285715 ] - # 11 (H) - [ 0.825038990000000, -0.240482960000000, 0.004959119285714 ] - [ -0.286666570000000, 0.550757390714286, -0.019654950000000 ] - [ -0.025021800000000, -0.001683360000000, 0.378108059285715 ] - # 12 (H) - [ 0.415317260000000, 0.062575470000000, 0.049594239285714 ] - [ 0.038417540000000, 0.514627460714286, -0.033231740000000 ] - [ 0.031911360000000, -0.049042550000000, 0.463058879285714 ] - # 13 (H) - [ 0.415297160000000, -0.055359590000000, 0.115151739285714 ] - [ -0.043463610000000, 0.446585700714285, -0.158261490000000 ] - [ 0.131891180000000, -0.211171070000000, 0.993020869285715 ] - # 14 (H) - [ 0.475955670000000, -0.040091750000000, -0.261768100714286 ] - [ -0.056800620000000, 0.383352130714286, 0.068983730000000 ] - [ -0.281314300000000, 0.050235330000000, 1.010097829285715 ] - # 15 (H) - [ 0.825038990000000, -0.240482960000000, 0.004959119285714 ] - [ -0.286666570000000, 0.550757390714286, -0.019654950000000 ] - [ -0.025021800000000, -0.001683360000000, 0.378108059285715 ] - # 16 (H) - [ 0.417122060000000, 0.061362600000000, 0.140703139285714 ] - [ 0.066107470000000, 0.482551710714286, 0.257458790000000 ] - [ 0.143746840000000, 0.254923850000000, 0.974338289285715 ] - # 17 (H) - [ 0.415297160000000, 0.055359590000000, 0.115151739285714 ] - [ 0.043463610000000, 0.446585700714285, 0.158261490000000 ] - [ 0.131891180000000, 0.211171070000000, 0.993020869285715 ] - # 18 (H) - [ 0.825038990000000, 0.240482960000000, 0.004959119285714 ] - [ 0.286666570000000, 0.550757390714286, 0.019654950000000 ] - [ -0.025021800000000, 0.001683360000000, 0.378108059285715 ] - # 19 (H) - [ 0.748853310000000, 0.127806030000000, -0.042405400714286 ] - [ 0.105804070000000, 0.522371100714285, -0.019165080000000 ] - [ -0.006470400000000, 0.009475230000000, 0.365415539285714 ] - # 20 (H) - [ 0.415317260000000, 0.062575470000000, 0.049594239285714 ] - [ 0.038417540000000, 0.514627460714286, -0.033231740000000 ] - [ 0.031911360000000, -0.049042550000000, 0.463058879285714 ] - # 21 (H) - [ 0.825038990000000, 0.240482960000000, 0.004959119285714 ] - [ 0.286666570000000, 0.550757390714286, 0.019654950000000 ] - [ -0.025021800000000, 0.001683360000000, 0.378108059285715 ] - # 22 (H) - [ 0.415317260000000, -0.062575470000000, 0.049594239285714 ] - [ -0.038417540000000, 0.514627460714286, 0.033231740000000 ] - [ 0.031911360000000, 0.049042550000000, 0.463058879285714 ] - # 23 (H) - [ 0.417122060000000, 0.061362600000000, 0.140703139285714 ] - [ 0.066107470000000, 0.482551710714286, 0.257458790000000 ] - [ 0.143746840000000, 0.254923850000000, 0.974338289285715 ] - # 24 (H) - [ 0.415317260000000, -0.062575470000000, 0.049594239285714 ] - [ -0.038417540000000, 0.514627460714286, 0.033231740000000 ] - [ 0.031911360000000, 0.049042550000000, 0.463058879285714 ] - # 25 (H) - [ 0.475955670000000, -0.040091750000000, -0.261768100714286 ] - [ -0.056800620000000, 0.383352130714286, 0.068983730000000 ] - [ -0.281314300000000, 0.050235330000000, 1.010097829285715 ] - # 26 (H) - [ 0.475955670000000, 0.040091750000000, -0.261768100714286 ] - [ 0.056800620000000, 0.383352130714286, -0.068983730000000 ] - [ -0.281314300000000, -0.050235330000000, 1.010097829285715 ] - # 27 (H) - [ 0.475955670000000, 0.040091750000000, -0.261768100714286 ] - [ 0.056800620000000, 0.383352130714286, -0.068983730000000 ] - [ -0.281314300000000, -0.050235330000000, 1.010097829285715 ] - # 28 (H) - [ 0.415297160000000, -0.055359590000000, 0.115151739285714 ] - [ -0.043463610000000, 0.446585700714285, -0.158261490000000 ] - [ 0.131891180000000, -0.211171070000000, 0.993020869285715 ] - # 29 (H) - [ 0.748853310000000, -0.127806030000000, -0.042405400714286 ] - [ -0.105804070000000, 0.522371100714285, 0.019165080000000 ] - [ -0.006470400000000, -0.009475230000000, 0.365415539285714 ] - # 30 (H) - [ 0.417122060000000, -0.061362600000000, 0.140703139285714 ] - [ -0.066107470000000, 0.482551710714286, -0.257458790000000 ] - [ 0.143746840000000, -0.254923850000000, 0.974338289285715 ] - # 31 (H) - [ 0.748853310000000, -0.127806030000000, -0.042405400714286 ] - [ -0.105804070000000, 0.522371100714285, 0.019165080000000 ] - [ -0.006470400000000, -0.009475230000000, 0.365415539285714 ] - # 32 (H) - [ 0.417122060000000, -0.061362600000000, 0.140703139285714 ] - [ -0.066107470000000, 0.482551710714286, -0.257458790000000 ] - [ 0.143746840000000, -0.254923850000000, 0.974338289285715 ] - # 33 (O) - [ -1.651025140000000, 0.017624140000000, 0.061852889285714 ] - [ 0.093964450000000, -1.359550129285714, 0.069048280000000 ] - [ 0.019052030000000, 0.032813040000000, -1.479832130714285 ] - # 34 (O) - [ -1.474261730000000, -0.068125560000000, -0.062851930714286 ] - [ -0.127017120000000, -1.598857899285715, -0.041318610000000 ] - [ 0.002791880000000, 0.033605310000000, -1.535067620714285 ] - # 35 (O) - [ -1.335055730000000, -0.002621690000000, -0.011472000714286 ] - [ -0.081272980000000, -1.609668119285715, 0.003453690000000 ] - [ -0.030829910000000, -0.013756540000000, -1.691319790714286 ] - # 36 (O) - [ -1.335055730000000, -0.002621690000000, -0.011472000714286 ] - [ -0.081272980000000, -1.609668119285715, 0.003453690000000 ] - [ -0.030829910000000, -0.013756540000000, -1.691319790714286 ] - # 37 (O) - [ -1.435846310000000, 0.208523520000000, -0.043008880714286 ] - [ 0.164055760000000, -1.294819019285715, 0.001563260000000 ] - [ -0.001249710000000, -0.064341290000000, -1.568052620714286 ] - # 38 (O) - [ -1.335055730000000, 0.002621690000000, -0.011472000714286 ] - [ 0.081272980000000, -1.609668119285715, -0.003453690000000 ] - [ -0.030829910000000, 0.013756540000000, -1.691319790714286 ] - # 39 (O) - [ -1.473907300000000, -0.170685590000000, 0.007528169285714 ] - [ -0.166367660000000, -1.310910219285714, -0.008978530000000 ] - [ -0.019277920000000, -0.029086070000000, -1.708439170714285 ] - # 40 (O) - [ -1.435846310000000, -0.208523520000000, -0.043008880714286 ] - [ -0.164055760000000, -1.294819019285715, -0.001563260000000 ] - [ -0.001249710000000, 0.064341290000000, -1.568052620714286 ] - # 41 (O) - [ -1.473907300000000, -0.170685590000000, 0.007528169285714 ] - [ -0.166367660000000, -1.310910219285714, -0.008978530000000 ] - [ -0.019277920000000, -0.029086070000000, -1.708439170714285 ] - # 42 (O) - [ -1.474261730000000, 0.068125560000000, -0.062851930714286 ] - [ 0.127017120000000, -1.598857899285715, 0.041318610000000 ] - [ 0.002791880000000, -0.033605310000000, -1.535067620714285 ] - # 43 (O) - [ -1.651025140000000, 0.017624140000000, 0.061852889285714 ] - [ 0.093964450000000, -1.359550129285714, 0.069048280000000 ] - [ 0.019052030000000, 0.032813040000000, -1.479832130714285 ] - # 44 (O) - [ -1.474261730000000, 0.068125560000000, -0.062851930714286 ] - [ 0.127017120000000, -1.598857899285715, 0.041318610000000 ] - [ 0.002791880000000, -0.033605310000000, -1.535067620714285 ] - # 45 (O) - [ -1.651025140000000, -0.017624140000000, 0.061852889285714 ] - [ -0.093964450000000, -1.359550129285714, -0.069048280000000 ] - [ 0.019052030000000, -0.032813040000000, -1.479832130714285 ] - # 46 (O) - [ -1.651025140000000, -0.017624140000000, 0.061852889285714 ] - [ -0.093964450000000, -1.359550129285714, -0.069048280000000 ] - [ 0.019052030000000, -0.032813040000000, -1.479832130714285 ] - # 47 (O) - [ -1.435846310000000, 0.208523520000000, -0.043008880714286 ] - [ 0.164055760000000, -1.294819019285715, 0.001563260000000 ] - [ -0.001249710000000, -0.064341290000000, -1.568052620714286 ] - # 48 (O) - [ -1.473907300000000, 0.170685590000000, 0.007528169285714 ] - [ 0.166367660000000, -1.310910219285714, 0.008978530000000 ] - [ -0.019277920000000, 0.029086070000000, -1.708439170714285 ] - # 49 (O) - [ -1.435846310000000, -0.208523520000000, -0.043008880714286 ] - [ -0.164055760000000, -1.294819019285715, -0.001563260000000 ] - [ -0.001249710000000, 0.064341290000000, -1.568052620714286 ] - # 50 (O) - [ -1.473907300000000, 0.170685590000000, 0.007528169285714 ] - [ 0.166367660000000, -1.310910219285714, 0.008978530000000 ] - [ -0.019277920000000, 0.029086070000000, -1.708439170714285 ] - # 51 (O) - [ -1.668260020000000, -0.013784010000000, 0.040345829285714 ] - [ -0.005317630000000, -1.467231599285715, -0.029170980000000 ] - [ 0.030390380000000, -0.039420940000000, -1.620847530714286 ] - # 52 (O) - [ -1.668260020000000, 0.013784010000000, 0.040345829285714 ] - [ 0.005317630000000, -1.467231599285715, 0.029170980000000 ] - [ 0.030390380000000, 0.039420940000000, -1.620847530714286 ] - # 53 (O) - [ -1.474261730000000, -0.068125560000000, -0.062851930714286 ] - [ -0.127017120000000, -1.598857899285715, -0.041318610000000 ] - [ 0.002791880000000, 0.033605310000000, -1.535067620714285 ] - # 54 (O) - [ -1.668260020000000, 0.013784010000000, 0.040345829285714 ] - [ 0.005317630000000, -1.467231599285715, 0.029170980000000 ] - [ 0.030390380000000, 0.039420940000000, -1.620847530714286 ] - # 55 (O) - [ -1.335055730000000, 0.002621690000000, -0.011472000714286 ] - [ 0.081272980000000, -1.609668119285715, -0.003453690000000 ] - [ -0.030829910000000, 0.013756540000000, -1.691319790714286 ] - # 56 (O) - [ -1.668260020000000, -0.013784010000000, 0.040345829285714 ] - [ -0.005317630000000, -1.467231599285715, -0.029170980000000 ] - [ 0.030390380000000, -0.039420940000000, -1.620847530714286 ] dielectric_constant: - [ 2.787992040000000, 0.000000000000000, -0.000667120000000 ] - [ 0.000000000000000, 2.761360000000000, 0.000000000000000 ] - [ -0.000667610000000, 0.000000000000000, 2.817484340000000 ] unit_conversion_factor: 14.399652dataset: displacements: - # 1 - [ -0.0197180265595416, -0.0159391703427104, 0.0160356564375542 ] - [ 0.0228910907011043, -0.0148684502026752, 0.0124469737319714 ] - [ -0.0084727509299490, 0.0217942423507122, -0.0187942409274084 ] - [ 0.0000911968989244, -0.0220033853268910, 0.0203922219800095 ] - [ 0.0220545935197840, 0.0199782392482330, -0.0038032698060309 ] - [ -0.0111322508744812, -0.0091457988790175, -0.0263140143902860 ] - [ 0.0008186030821306, -0.0298990352882847, 0.0023189605050179 ] - [ 0.0164547742252262, 0.0188084351592744, 0.0165976857439886 ] - [ 0.0170717694512412, -0.0175131581570750, -0.0173736576220710 ] - [ 0.0291291918716352, 0.0021488678350908, -0.0068463528928019 ] - [ -0.0161263950582835, 0.0243218610121425, -0.0069560376170772 ] - [ -0.0190367760343640, -0.0226908250656756, 0.0047673489547520 ] - [ -0.0131833628515573, -0.0030351014689810, 0.0267766148532104 ] - [ -0.0044628786970328, -0.0058582519849180, 0.0290820150164457 ] - [ 0.0120721940416158, 0.0044824748592574, -0.0270955632928659 ] - [ -0.0128828695797300, -0.0248254891075613, -0.0108501964020021 ] - [ -0.0210685975613431, 0.0136113271272392, 0.0164573986593705 ] - [ 0.0163375780879462, -0.0170094667155339, -0.0185408086197286 ] - [ -0.0133762091456523, 0.0267462089196101, 0.0023910954226752 ] - [ -0.0123966750327985, 0.0050931120705094, 0.0268399451856449 ] - [ 0.0153427517958402, 0.0129847765204196, -0.0222709574568765 ] - [ -0.0031687573988528, -0.0260221134834449, 0.0145879603235658 ] - [ 0.0137384653318393, -0.0074484088003761, 0.0256081193504781 ] - [ 0.0017041927151571, -0.0242952845375362, -0.0175167027841932 ] - [ -0.0271834485381031, 0.0077394209145755, -0.0100579068142100 ] - [ -0.0004173353292365, -0.0236224550532374, 0.0184879811899717 ] - [ -0.0082924021261392, -0.0090958385851707, 0.0273587607067813 ] - 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[ -0.0101081298281234, -0.0082600528951154, 0.0270110576902812 ] - [ -0.0299953603649234, -0.0005176029839437, -0.0001021945663755 ] - [ 0.0227850109843064, -0.0180558561496943, 0.0074046831901562 ] - [ -0.0073966927095878, -0.0113487712122304, -0.0267674116965459 ] - [ -0.0018536587983713, -0.0235039862886586, -0.0185506489806090 ] - [ -0.0171702368780626, 0.0081138690538212, 0.0232238690688839 ] - [ 0.0034752249757439, -0.0281161005876131, 0.0098695338854066 ] - [ -0.0036656742896127, 0.0237785090722698, -0.0179205284046665 ] - [ -0.0162763000497767, 0.0209407174543588, 0.0140202856314111 ] - [ -0.0261020270394826, -0.0072755345310982, -0.0128744235489174 ] - [ -0.0158491327827990, 0.0185282513407862, 0.0174788126680807 ] - [ -0.0091196193537565, 0.0025119362048204, -0.0284696807032587 ] - [ -0.0132048291738880, 0.0104725904581460, -0.0248184877779526 ] - [ 0.0058473891230436, 0.0292123426586699, -0.0035280415014801 ] - [ 0.0069177396406441, -0.0284724734184017, 0.0064391875033010 ] - [ 0.0227568207589566, -0.0183940216682794, 0.0066171803520525 ] - [ -0.0184298542989163, -0.0137419737241721, 0.0192742996937600 ] - [ -0.0220338981195396, -0.0053347940433522, -0.0196480865779028 ] - [ 0.0030337111478632, -0.0029981798347364, 0.0296952439685198 ] - [ -0.0132591722399302, -0.0195289910065645, -0.0185152062310250 ] - [ 0.0022325252544903, 0.0010665287475340, -0.0298977983707621 ] - [ 0.0055317480381272, -0.0084845394919194, 0.0282384906334021 ] - [ 0.0049948355241573, -0.0179492049230167, -0.0235133506910047 ] - [ 0.0109473508683717, 0.0225831072818048, 0.0164365073681502 ] - [ -0.0161651927735646, -0.0064952793542019, 0.0244233062607087 ] - [ -0.0220708425726370, 0.0007778939444709, -0.0203045016965458 ] - [ -0.0023027384104826, 0.0257090931678648, -0.0152885553372101 ] - [ -0.0204045208116273, 0.0106701697692467, -0.0192302628048428 ] - [ 0.0038515808831702, 0.0069259876982559, -0.0289343397903599 ] - [ 0.0070129941569956, 0.0270214365554313, 0.0109845290948108 ] - [ 0.0088227497494668, 0.0038706572440641, 0.0284108623480045 ] - [ 0.0126575619699087, 0.0118196011800848, -0.0244965947209333 ] - [ -0.0179260227345827, -0.0182916295697369, -0.0156228677457997 ] - [ -0.0151144283548056, -0.0028542665538517, 0.0257566926826216 ] - [ -0.0154262985119301, 0.0157744957290599, -0.0203271886574286 ] - [ -0.0099056614505310, 0.0020517410396174, 0.0282430209066561 ] - [ -0.0070760978426867, -0.0137613343009038, -0.0257012551751756 ] - # 2 - [ 0.0088478586083385, -0.0286574012813233, 0.0006846530859201 ] - [ -0.0195728132233188, 0.0226438431792035, 0.0020399383815978 ] - [ 0.0025858200567786, 0.0068506127369832, 0.0290926561139035 ] - [ 0.0188762549494079, -0.0223709302087966, -0.0065748369316739 ] - [ 0.0001196764421591, -0.0109669649457007, 0.0279233120784223 ] - [ -0.0040996941185880, 0.0295519097032841, -0.0031427919153136 ] - [ -0.0062914115049488, 0.0293315005452306, -0.0002849860356879 ] - [ -0.0006460200823185, 0.0112244237086420, 0.0278135752908920 ] - [ -0.0270200074720217, -0.0106028887054769, 0.0075827400925497 ] - 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[ 0.0134795529242506, 0.0097672569978271, 0.0249580116135225 ] - [ 0.0085151522446551, 0.0059461725094482, 0.0281448967796691 ] - [ 0.0287703032157742, 0.0063403397268984, 0.0056630155412048 ] - [ -0.0159867903630274, -0.0136855157800604, 0.0213805797798454 ] - [ -0.0046508689969210, 0.0236714653624393, -0.0178334277459022 ] - [ -0.0111656415089645, -0.0248534980543461, -0.0125551616539136 ] - [ -0.0186340893650007, 0.0012437892016808, -0.0234781537169972 ] - [ 0.0228846317663988, 0.0178797706324421, 0.0075237910023864 ] - [ -0.0153110029027149, -0.0195347036574852, -0.0168513662095181 ] - [ -0.0231384694863562, -0.0105668354657692, 0.0159045030751774 ] - [ -0.0241697375994216, 0.0171793723030779, -0.0045489506094642 ] - [ -0.0066067188081564, 0.0017185917221194, -0.0292129715893918 ] - [ 0.0184371035769477, 0.0016794963144589, 0.0236061963014507 ] - [ -0.0109795088309509, 0.0145030932963242, 0.0238560405488670 ] - [ 0.0271145130504090, 0.0093827788765758, -0.0087616575254047 ] - [ 0.0061075258385409, -0.0146299004551970, -0.0254688857393209 ] - 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