# Fileset

[phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/23122b22-2ab5-471c-bb0f-9810711715ef/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 Mg17(As3O16)2 / P2/m (10) / materials id 757303](https://mdr.nims.go.jp/datasets/da77bd06-496e-4378-9232-90b577629c15)

## Fulltext

phono3py:  version: "3.21.0"  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05space_group:  type: "P2/m"  number: 10  Hall_symbol: "-P 2y"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,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     9.842220840639989,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.063172630000000,     0.000000000000000 ] # b  - [    -3.717574170268873,     0.000000000000000,     9.743129815590089 ] # c  points:  - symbol: Mg # 1    coordinates: [  0.733953367080355,  0.746846664572304,  0.994709167104791 ]    mass: 24.305000  - symbol: Mg # 2    coordinates: [  0.264945733506997,  0.500000000000000,  0.753833948503838 ]    mass: 24.305000  - symbol: Mg # 3    coordinates: [  0.733953367080355,  0.253153335427696,  0.994709167104791 ]    mass: 24.305000  - symbol: Mg # 4    coordinates: [  0.728969958906517,  0.000000000000000,  0.741713591977837 ]    mass: 24.305000  - symbol: Mg # 5    coordinates: [  0.255579263791497,  0.758845847863017,  0.504345384936509 ]    mass: 24.305000  - symbol: Mg # 6    coordinates: [  0.001199175923732,  0.759489669847229,  0.739528701057126 ]    mass: 24.305000  - symbol: Mg # 7    coordinates: [  0.744420736208503,  0.758845847863017,  0.495654615063491 ]    mass: 24.305000  - symbol: Mg # 8    coordinates: [  0.271030041093483,  0.000000000000000,  0.258286408022163 ]    mass: 24.305000  - symbol: Mg # 9    coordinates: [  0.001199175923732,  0.240510330152771,  0.739528701057126 ]    mass: 24.305000  - symbol: Mg # 10    coordinates: [  0.255579263791497,  0.241154152136983,  0.504345384936509 ]    mass: 24.305000  - symbol: Mg # 11    coordinates: [  0.744420736208503,  0.241154152136983,  0.495654615063491 ]    mass: 24.305000  - symbol: Mg # 12    coordinates: [  0.998800824076268,  0.759489669847229,  0.260471298942874 ]    mass: 24.305000  - symbol: Mg # 13    coordinates: [  0.735054266493003,  0.500000000000000,  0.246166051496162 ]    mass: 24.305000  - symbol: Mg # 14    coordinates: [  0.266046632919645,  0.746846664572304,  0.005290832895209 ]    mass: 24.305000  - symbol: Mg # 15    coordinates: [  0.266046632919645,  0.253153335427696,  0.005290832895209 ]    mass: 24.305000  - symbol: Mg # 16    coordinates: [  0.998800824076268,  0.240510330152771,  0.260471298942874 ]    mass: 24.305000  - symbol: Mg # 17    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000  - symbol: As # 18    coordinates: [  0.421523190059445,  0.000000000000000,  0.807606591571932 ]    mass: 74.921600  - symbol: As # 19    coordinates: [  0.575343950184823,  0.500000000000000,  0.688619999381380 ]    mass: 74.921600  - symbol: As # 20    coordinates: [  0.424656049815177,  0.500000000000000,  0.311380000618620 ]    mass: 74.921600  - symbol: As # 21    coordinates: [  0.578476809940555,  0.000000000000000,  0.192393408428068 ]    mass: 74.921600  - symbol: As # 22    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 74.921600  - symbol: As # 23    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 74.921600  - symbol: O # 24    coordinates: [  0.115999329476131,  0.000000000000000,  0.892137333004708 ]    mass: 15.999400  - symbol: O # 25    coordinates: [  0.610603945750033,  0.000000000000000,  0.871868188021772 ]    mass: 15.999400  - symbol: O # 26    coordinates: [  0.368039029889897,  0.769811362806722,  0.867149692519509 ]    mass: 15.999400  - symbol: O # 27    coordinates: [  0.133734634845562,  0.500000000000000,  0.879720032995921 ]    mass: 15.999400  - symbol: O # 28    coordinates: [  0.883534485100179,  0.782958827788502,  0.890442594317856 ]    mass: 15.999400  - symbol: O # 29    coordinates: [  0.369891986076102,  0.000000000000000,  0.636120245255743 ]    mass: 15.999400  - symbol: O # 30    coordinates: [  0.632335686710050,  0.500000000000000,  0.862772101189770 ]    mass: 15.999400  - symbol: O # 31    coordinates: [  0.368039029889897,  0.230188637193278,  0.867149692519509 ]    mass: 15.999400  - symbol: O # 32    coordinates: [  0.119777310529507,  0.707942955296109,  0.614222392606853 ]    mass: 15.999400  - symbol: O # 33    coordinates: [  0.387667666847748,  0.500000000000000,  0.628186724321364 ]    mass: 15.999400  - symbol: O # 34    coordinates: [  0.883534485100179,  0.217041172211498,  0.890442594317856 ]    mass: 15.999400  - symbol: O # 35    coordinates: [  0.119777310529507,  0.292057044703891,  0.614222392606853 ]    mass: 15.999400  - symbol: O # 36    coordinates: [  0.142591676384836,  0.000000000000000,  0.368142457060171 ]    mass: 15.999400  - symbol: O # 37    coordinates: [  0.857408323615164,  0.000000000000000,  0.631857542939829 ]    mass: 15.999400  - symbol: O # 38    coordinates: [  0.631521794416925,  0.729517628916081,  0.632088678734156 ]    mass: 15.999400  - symbol: O # 39    coordinates: [  0.115914310972034,  0.500000000000000,  0.390586073576205 ]    mass: 15.999400  - symbol: O # 40    coordinates: [  0.631521794416925,  0.270482371083919,  0.632088678734156 ]    mass: 15.999400  - symbol: O # 41    coordinates: [  0.630108013923898,  0.000000000000000,  0.363879754744257 ]    mass: 15.999400  - symbol: O # 42    coordinates: [  0.368478205583075,  0.729517628916081,  0.367911321265844 ]    mass: 15.999400  - symbol: O # 43    coordinates: [  0.884085689027966,  0.500000000000000,  0.609413926423795 ]    mass: 15.999400  - symbol: O # 44    coordinates: [  0.612332333152252,  0.500000000000000,  0.371813275678636 ]    mass: 15.999400  - symbol: O # 45    coordinates: [  0.116465514899821,  0.782958827788502,  0.109557405682144 ]    mass: 15.999400  - symbol: O # 46    coordinates: [  0.880222689470493,  0.707942955296109,  0.385777607393147 ]    mass: 15.999400  - symbol: O # 47    coordinates: [  0.368478205583075,  0.270482371083919,  0.367911321265844 ]    mass: 15.999400  - symbol: O # 48    coordinates: [  0.389396054249967,  0.000000000000000,  0.128131811978228 ]    mass: 15.999400  - symbol: O # 49    coordinates: [  0.880222689470493,  0.292057044703891,  0.385777607393147 ]    mass: 15.999400  - symbol: O # 50    coordinates: [  0.367664313289950,  0.500000000000000,  0.137227898810230 ]    mass: 15.999400  - symbol: O # 51    coordinates: [  0.631960970110103,  0.769811362806722,  0.132850307480491 ]    mass: 15.999400  - symbol: O # 52    coordinates: [  0.116465514899821,  0.217041172211498,  0.109557405682144 ]    mass: 15.999400  - symbol: O # 53    coordinates: [  0.884000670523869,  0.000000000000000,  0.107862666995292 ]    mass: 15.999400  - symbol: O # 54    coordinates: [  0.866265365154438,  0.500000000000000,  0.120279967004079 ]    mass: 15.999400  - symbol: O # 55    coordinates: [  0.631960970110103,  0.230188637193278,  0.132850307480491 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.101603084932910,     0.000000000000000,     0.038767522481516 ] # a*  - [     0.000000000000000,     0.164930154726602,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.102636423708518 ] # c*unit_cell:  lattice:  - [     9.842220840639989,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.063172630000000,     0.000000000000000 ] # b  - [    -3.717574170268873,     0.000000000000000,     9.743129815590089 ] # c  points:  - symbol: Mg # 1    coordinates: [  0.733953367080355,  0.746846664572304,  0.994709167104791 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 2    coordinates: [  0.264945733506997,  0.500000000000000,  0.753833948503838 ]    mass: 24.305000    reduced_to: 2  - symbol: Mg # 3    coordinates: [  0.733953367080355,  0.253153335427696,  0.994709167104791 ]    mass: 24.305000    reduced_to: 3  - symbol: Mg # 4    coordinates: [  0.728969958906517,  0.000000000000000,  0.741713591977837 ]    mass: 24.305000    reduced_to: 4  - symbol: Mg # 5    coordinates: [  0.255579263791497,  0.758845847863017,  0.504345384936509 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 6    coordinates: [  0.001199175923732,  0.759489669847229,  0.739528701057126 ]    mass: 24.305000    reduced_to: 6  - symbol: Mg # 7    coordinates: [  0.744420736208503,  0.758845847863017,  0.495654615063491 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 8    coordinates: [  0.271030041093483,  0.000000000000000,  0.258286408022163 ]    mass: 24.305000    reduced_to: 8  - symbol: Mg # 9    coordinates: [  0.001199175923732,  0.240510330152771,  0.739528701057126 ]    mass: 24.305000    reduced_to: 9  - symbol: Mg # 10    coordinates: [  0.255579263791497,  0.241154152136983,  0.504345384936509 ]    mass: 24.305000    reduced_to: 10  - symbol: Mg # 11    coordinates: [  0.744420736208503,  0.241154152136983,  0.495654615063491 ]    mass: 24.305000    reduced_to: 11  - symbol: Mg # 12    coordinates: [  0.998800824076268,  0.759489669847229,  0.260471298942874 ]    mass: 24.305000    reduced_to: 12  - symbol: Mg # 13    coordinates: [  0.735054266493003,  0.500000000000000,  0.246166051496162 ]    mass: 24.305000    reduced_to: 13  - symbol: Mg # 14    coordinates: [  0.266046632919645,  0.746846664572304,  0.005290832895209 ]    mass: 24.305000    reduced_to: 14  - symbol: Mg # 15    coordinates: [  0.266046632919645,  0.253153335427696,  0.005290832895209 ]    mass: 24.305000    reduced_to: 15  - symbol: Mg # 16    coordinates: [  0.998800824076268,  0.240510330152771,  0.260471298942874 ]    mass: 24.305000    reduced_to: 16  - symbol: Mg # 17    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 17  - symbol: As # 18    coordinates: [  0.421523190059445,  0.000000000000000,  0.807606591571932 ]    mass: 74.921600    reduced_to: 18  - symbol: As # 19    coordinates: [  0.575343950184823,  0.500000000000000,  0.688619999381380 ]    mass: 74.921600    reduced_to: 19  - symbol: As # 20    coordinates: [  0.424656049815177,  0.500000000000000,  0.311380000618620 ]    mass: 74.921600    reduced_to: 20  - symbol: As # 21    coordinates: [  0.578476809940555,  0.000000000000000,  0.192393408428068 ]    mass: 74.921600    reduced_to: 21  - symbol: As # 22    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 74.921600    reduced_to: 22  - symbol: As # 23    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 74.921600    reduced_to: 23  - symbol: O # 24    coordinates: [  0.115999329476131,  0.000000000000000,  0.892137333004708 ]    mass: 15.999400    reduced_to: 24  - symbol: O # 25    coordinates: [  0.610603945750033,  0.000000000000000,  0.871868188021772 ]    mass: 15.999400    reduced_to: 25  - symbol: O # 26    coordinates: [  0.368039029889897,  0.769811362806722,  0.867149692519509 ]    mass: 15.999400    reduced_to: 26  - symbol: O # 27    coordinates: [  0.133734634845562,  0.500000000000000,  0.879720032995921 ]    mass: 15.999400    reduced_to: 27  - symbol: O # 28    coordinates: [  0.883534485100179,  0.782958827788502,  0.890442594317856 ]    mass: 15.999400    reduced_to: 28  - symbol: O # 29    coordinates: [  0.369891986076102,  0.000000000000000,  0.636120245255743 ]    mass: 15.999400    reduced_to: 29  - symbol: O # 30    coordinates: [  0.632335686710050,  0.500000000000000,  0.862772101189770 ]    mass: 15.999400    reduced_to: 30  - symbol: O # 31    coordinates: [  0.368039029889897,  0.230188637193278,  0.867149692519509 ]    mass: 15.999400    reduced_to: 31  - symbol: O # 32    coordinates: [  0.119777310529507,  0.707942955296109,  0.614222392606853 ]    mass: 15.999400    reduced_to: 32  - symbol: O # 33    coordinates: [  0.387667666847748,  0.500000000000000,  0.628186724321364 ]    mass: 15.999400    reduced_to: 33  - symbol: O # 34    coordinates: [  0.883534485100179,  0.217041172211498,  0.890442594317856 ]    mass: 15.999400    reduced_to: 34  - symbol: O # 35    coordinates: [  0.119777310529507,  0.292057044703891,  0.614222392606853 ]    mass: 15.999400    reduced_to: 35  - symbol: O # 36    coordinates: [  0.142591676384836,  0.000000000000000,  0.368142457060171 ]    mass: 15.999400    reduced_to: 36  - symbol: O # 37    coordinates: [  0.857408323615164,  0.000000000000000,  0.631857542939829 ]    mass: 15.999400    reduced_to: 37  - symbol: O # 38    coordinates: [  0.631521794416925,  0.729517628916081,  0.632088678734156 ]    mass: 15.999400    reduced_to: 38  - symbol: O # 39    coordinates: [  0.115914310972034,  0.500000000000000,  0.390586073576205 ]    mass: 15.999400    reduced_to: 39  - symbol: O # 40    coordinates: [  0.631521794416925,  0.270482371083919,  0.632088678734156 ]    mass: 15.999400    reduced_to: 40  - symbol: O # 41    coordinates: [  0.630108013923898,  0.000000000000000,  0.363879754744257 ]    mass: 15.999400    reduced_to: 41  - symbol: O # 42    coordinates: [  0.368478205583075,  0.729517628916081,  0.367911321265844 ]    mass: 15.999400    reduced_to: 42  - symbol: O # 43    coordinates: [  0.884085689027966,  0.500000000000000,  0.609413926423795 ]    mass: 15.999400    reduced_to: 43  - symbol: O # 44    coordinates: [  0.612332333152252,  0.500000000000000,  0.371813275678636 ]    mass: 15.999400    reduced_to: 44  - symbol: O # 45    coordinates: [  0.116465514899821,  0.782958827788502,  0.109557405682144 ]    mass: 15.999400    reduced_to: 45  - symbol: O # 46    coordinates: [  0.880222689470493,  0.707942955296109,  0.385777607393147 ]    mass: 15.999400    reduced_to: 46  - symbol: O # 47    coordinates: [  0.368478205583075,  0.270482371083919,  0.367911321265844 ]    mass: 15.999400    reduced_to: 47  - symbol: O # 48    coordinates: [  0.389396054249967,  0.000000000000000,  0.128131811978228 ]    mass: 15.999400    reduced_to: 48  - symbol: O # 49    coordinates: [  0.880222689470493,  0.292057044703891,  0.385777607393147 ]    mass: 15.999400    reduced_to: 49  - symbol: O # 50    coordinates: [  0.367664313289950,  0.500000000000000,  0.137227898810230 ]    mass: 15.999400    reduced_to: 50  - symbol: O # 51    coordinates: [  0.631960970110103,  0.769811362806722,  0.132850307480491 ]    mass: 15.999400    reduced_to: 51  - symbol: O # 52    coordinates: [  0.116465514899821,  0.217041172211498,  0.109557405682144 ]    mass: 15.999400    reduced_to: 52  - symbol: O # 53    coordinates: [  0.884000670523869,  0.000000000000000,  0.107862666995292 ]    mass: 15.999400    reduced_to: 53  - symbol: O # 54    coordinates: [  0.866265365154438,  0.500000000000000,  0.120279967004079 ]    mass: 15.999400    reduced_to: 54  - symbol: O # 55    coordinates: [  0.631960970110103,  0.230188637193278,  0.132850307480491 ]    mass: 15.999400    reduced_to: 55supercell:  lattice:  - [     9.842220840639989,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.126345260000001,     0.000000000000000 ] # b  - [    -3.717574170268873,     0.000000000000000,     9.743129815590089 ] # c  points:  - symbol: Mg # 1    coordinates: [  0.733953367080355,  0.373423332286152,  0.994709167104791 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 2    coordinates: [  0.733953367080355,  0.873423332286152,  0.994709167104791 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 3    coordinates: [  0.264945733506997,  0.250000000000000,  0.753833948503838 ]    mass: 24.305000    reduced_to: 3  - symbol: Mg # 4    coordinates: [  0.264945733506997,  0.750000000000000,  0.753833948503838 ]    mass: 24.305000    reduced_to: 3  - symbol: Mg # 5    coordinates: [  0.733953367080355,  0.126576667713848,  0.994709167104791 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 6    coordinates: [  0.733953367080355,  0.626576667713848,  0.994709167104791 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 7    coordinates: [  0.728969958906517,  0.000000000000000,  0.741713591977837 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 8    coordinates: [  0.728969958906517,  0.500000000000000,  0.741713591977837 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 9    coordinates: [  0.255579263791497,  0.379422923931509,  0.504345384936509 ]    mass: 24.305000    reduced_to: 9  - symbol: Mg # 10    coordinates: [  0.255579263791497,  0.879422923931509,  0.504345384936509 ]    mass: 24.305000    reduced_to: 9  - symbol: Mg # 11    coordinates: [  0.001199175923732,  0.379744834923614,  0.739528701057126 ]    mass: 24.305000    reduced_to: 11  - symbol: Mg # 12    coordinates: [  0.001199175923732,  0.879744834923615,  0.739528701057126 ]    mass: 24.305000    reduced_to: 11  - symbol: Mg # 13    coordinates: [  0.744420736208503,  0.379422923931509,  0.495654615063491 ]    mass: 24.305000    reduced_to: 13  - symbol: Mg # 14    coordinates: [  0.744420736208503,  0.879422923931509,  0.495654615063491 ]    mass: 24.305000    reduced_to: 13  - symbol: Mg # 15    coordinates: [  0.271030041093483,  0.000000000000000,  0.258286408022163 ]    mass: 24.305000    reduced_to: 15  - symbol: Mg # 16    coordinates: [  0.271030041093483,  0.500000000000000,  0.258286408022163 ]    mass: 24.305000    reduced_to: 15  - symbol: Mg # 17    coordinates: [  0.001199175923732,  0.120255165076386,  0.739528701057126 ]    mass: 24.305000    reduced_to: 17  - symbol: Mg # 18    coordinates: [  0.001199175923732,  0.620255165076385,  0.739528701057126 ]    mass: 24.305000    reduced_to: 17  - symbol: Mg # 19    coordinates: [  0.255579263791497,  0.120577076068491,  0.504345384936509 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 20    coordinates: [  0.255579263791497,  0.620577076068491,  0.504345384936509 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 21    coordinates: [  0.744420736208503,  0.120577076068491,  0.495654615063491 ]    mass: 24.305000    reduced_to: 21  - symbol: Mg # 22    coordinates: [  0.744420736208503,  0.620577076068491,  0.495654615063491 ]    mass: 24.305000    reduced_to: 21  - symbol: Mg # 23    coordinates: [  0.998800824076268,  0.379744834923614,  0.260471298942874 ]    mass: 24.305000    reduced_to: 23  - symbol: Mg # 24    coordinates: [  0.998800824076268,  0.879744834923615,  0.260471298942874 ]    mass: 24.305000    reduced_to: 23  - symbol: Mg # 25    coordinates: [  0.735054266493003,  0.250000000000000,  0.246166051496162 ]    mass: 24.305000    reduced_to: 25  - symbol: Mg # 26    coordinates: [  0.735054266493003,  0.750000000000000,  0.246166051496162 ]    mass: 24.305000    reduced_to: 25  - symbol: Mg # 27    coordinates: [  0.266046632919645,  0.373423332286152,  0.005290832895209 ]    mass: 24.305000    reduced_to: 27  - symbol: Mg # 28    coordinates: [  0.266046632919645,  0.873423332286152,  0.005290832895209 ]    mass: 24.305000    reduced_to: 27  - symbol: Mg # 29    coordinates: [  0.266046632919645,  0.126576667713848,  0.005290832895209 ]    mass: 24.305000    reduced_to: 29  - symbol: Mg # 30    coordinates: [  0.266046632919645,  0.626576667713848,  0.005290832895209 ]    mass: 24.305000    reduced_to: 29  - symbol: Mg # 31    coordinates: [  0.998800824076268,  0.120255165076386,  0.260471298942874 ]    mass: 24.305000    reduced_to: 31  - symbol: Mg # 32    coordinates: [  0.998800824076268,  0.620255165076385,  0.260471298942874 ]    mass: 24.305000    reduced_to: 31  - symbol: Mg # 33    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 33  - symbol: Mg # 34    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 33  - symbol: As # 35    coordinates: [  0.421523190059445,  0.000000000000000,  0.807606591571932 ]    mass: 74.921600    reduced_to: 35  - symbol: As # 36    coordinates: [  0.421523190059445,  0.500000000000000,  0.807606591571932 ]    mass: 74.921600    reduced_to: 35  - symbol: As # 37    coordinates: [  0.575343950184823,  0.250000000000000,  0.688619999381380 ]    mass: 74.921600    reduced_to: 37  - symbol: As # 38    coordinates: [  0.575343950184823,  0.750000000000000,  0.688619999381380 ]    mass: 74.921600    reduced_to: 37  - symbol: As # 39    coordinates: [  0.424656049815177,  0.250000000000000,  0.311380000618620 ]    mass: 74.921600    reduced_to: 39  - symbol: As # 40    coordinates: [  0.424656049815177,  0.750000000000000,  0.311380000618620 ]    mass: 74.921600    reduced_to: 39  - symbol: As # 41    coordinates: [  0.578476809940555,  0.000000000000000,  0.192393408428068 ]    mass: 74.921600    reduced_to: 41  - symbol: As # 42    coordinates: [  0.578476809940555,  0.500000000000000,  0.192393408428068 ]    mass: 74.921600    reduced_to: 41  - symbol: As # 43    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 74.921600    reduced_to: 43  - symbol: As # 44    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 74.921600    reduced_to: 43  - symbol: As # 45    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 74.921600    reduced_to: 45  - symbol: As # 46    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 74.921600    reduced_to: 45  - symbol: O # 47    coordinates: [  0.115999329476131,  0.000000000000000,  0.892137333004708 ]    mass: 15.999400    reduced_to: 47  - symbol: O # 48    coordinates: [  0.115999329476131,  0.500000000000000,  0.892137333004708 ]    mass: 15.999400    reduced_to: 47  - symbol: O # 49    coordinates: [  0.610603945750033,  0.000000000000000,  0.871868188021772 ]    mass: 15.999400    reduced_to: 49  - symbol: O # 50    coordinates: [  0.610603945750033,  0.500000000000000,  0.871868188021772 ]    mass: 15.999400    reduced_to: 49  - symbol: O # 51    coordinates: [  0.368039029889897,  0.384905681403361,  0.867149692519509 ]    mass: 15.999400    reduced_to: 51  - symbol: O # 52    coordinates: [  0.368039029889897,  0.884905681403361,  0.867149692519509 ]    mass: 15.999400    reduced_to: 51  - symbol: O # 53    coordinates: [  0.133734634845562,  0.250000000000000,  0.879720032995921 ]    mass: 15.999400    reduced_to: 53  - symbol: O # 54    coordinates: [  0.133734634845562,  0.750000000000000,  0.879720032995921 ]    mass: 15.999400    reduced_to: 53  - symbol: O # 55    coordinates: [  0.883534485100179,  0.391479413894251,  0.890442594317856 ]    mass: 15.999400    reduced_to: 55  - symbol: O # 56    coordinates: [  0.883534485100179,  0.891479413894251,  0.890442594317856 ]    mass: 15.999400    reduced_to: 55  - symbol: O # 57    coordinates: [  0.369891986076102,  0.000000000000000,  0.636120245255743 ]    mass: 15.999400    reduced_to: 57  - symbol: O # 58    coordinates: [  0.369891986076102,  0.500000000000000,  0.636120245255743 ]    mass: 15.999400    reduced_to: 57  - symbol: O # 59    coordinates: [  0.632335686710050,  0.250000000000000,  0.862772101189770 ]    mass: 15.999400    reduced_to: 59  - symbol: O # 60    coordinates: [  0.632335686710050,  0.750000000000000,  0.862772101189770 ]    mass: 15.999400    reduced_to: 59  - symbol: O # 61    coordinates: [  0.368039029889897,  0.115094318596639,  0.867149692519509 ]    mass: 15.999400    reduced_to: 61  - symbol: O # 62    coordinates: [  0.368039029889897,  0.615094318596639,  0.867149692519509 ]    mass: 15.999400    reduced_to: 61  - symbol: O # 63    coordinates: [  0.119777310529507,  0.353971477648054,  0.614222392606853 ]    mass: 15.999400    reduced_to: 63  - symbol: O # 64    coordinates: [  0.119777310529507,  0.853971477648054,  0.614222392606853 ]    mass: 15.999400    reduced_to: 63  - symbol: O # 65    coordinates: [  0.387667666847748,  0.250000000000000,  0.628186724321364 ]    mass: 15.999400    reduced_to: 65  - symbol: O # 66    coordinates: [  0.387667666847748,  0.750000000000000,  0.628186724321364 ]    mass: 15.999400    reduced_to: 65  - symbol: O # 67    coordinates: [  0.883534485100179,  0.108520586105749,  0.890442594317856 ]    mass: 15.999400    reduced_to: 67  - symbol: O # 68    coordinates: [  0.883534485100179,  0.608520586105749,  0.890442594317856 ]    mass: 15.999400    reduced_to: 67  - symbol: O # 69    coordinates: [  0.119777310529507,  0.146028522351945,  0.614222392606853 ]    mass: 15.999400    reduced_to: 69  - symbol: O # 70    coordinates: [  0.119777310529507,  0.646028522351946,  0.614222392606853 ]    mass: 15.999400    reduced_to: 69  - symbol: O # 71    coordinates: [  0.142591676384836,  0.000000000000000,  0.368142457060171 ]    mass: 15.999400    reduced_to: 71  - symbol: O # 72    coordinates: [  0.142591676384836,  0.500000000000000,  0.368142457060171 ]    mass: 15.999400    reduced_to: 71  - symbol: O # 73    coordinates: [  0.857408323615164,  0.000000000000000,  0.631857542939829 ]    mass: 15.999400    reduced_to: 73  - symbol: O # 74    coordinates: [  0.857408323615164,  0.500000000000000,  0.631857542939829 ]    mass: 15.999400    reduced_to: 73  - symbol: O # 75    coordinates: [  0.631521794416925,  0.364758814458040,  0.632088678734156 ]    mass: 15.999400    reduced_to: 75  - symbol: O # 76    coordinates: [  0.631521794416925,  0.864758814458040,  0.632088678734156 ]    mass: 15.999400    reduced_to: 75  - symbol: O # 77    coordinates: [  0.115914310972034,  0.250000000000000,  0.390586073576205 ]    mass: 15.999400    reduced_to: 77  - symbol: O # 78    coordinates: [  0.115914310972034,  0.750000000000000,  0.390586073576205 ]    mass: 15.999400    reduced_to: 77  - symbol: O # 79    coordinates: [  0.631521794416925,  0.135241185541959,  0.632088678734156 ]    mass: 15.999400    reduced_to: 79  - symbol: O # 80    coordinates: [  0.631521794416925,  0.635241185541960,  0.632088678734156 ]    mass: 15.999400    reduced_to: 79  - symbol: O # 81    coordinates: [  0.630108013923898,  0.000000000000000,  0.363879754744257 ]    mass: 15.999400    reduced_to: 81  - symbol: O # 82    coordinates: [  0.630108013923898,  0.500000000000000,  0.363879754744257 ]    mass: 15.999400    reduced_to: 81  - symbol: O # 83    coordinates: [  0.368478205583075,  0.364758814458040,  0.367911321265844 ]    mass: 15.999400    reduced_to: 83  - symbol: O # 84    coordinates: [  0.368478205583075,  0.864758814458040,  0.367911321265844 ]    mass: 15.999400    reduced_to: 83  - symbol: O # 85    coordinates: [  0.884085689027966,  0.250000000000000,  0.609413926423795 ]    mass: 15.999400    reduced_to: 85  - symbol: O # 86    coordinates: [  0.884085689027966,  0.750000000000000,  0.609413926423795 ]    mass: 15.999400    reduced_to: 85  - symbol: O # 87    coordinates: [  0.612332333152252,  0.250000000000000,  0.371813275678636 ]    mass: 15.999400    reduced_to: 87  - symbol: O # 88    coordinates: [  0.612332333152252,  0.750000000000000,  0.371813275678636 ]    mass: 15.999400    reduced_to: 87  - symbol: O # 89    coordinates: [  0.116465514899821,  0.391479413894251,  0.109557405682144 ]    mass: 15.999400    reduced_to: 89  - symbol: O # 90    coordinates: [  0.116465514899821,  0.891479413894251,  0.109557405682144 ]    mass: 15.999400    reduced_to: 89  - symbol: O # 91    coordinates: [  0.880222689470493,  0.353971477648054,  0.385777607393147 ]    mass: 15.999400    reduced_to: 91  - symbol: O # 92    coordinates: [  0.880222689470493,  0.853971477648054,  0.385777607393147 ]    mass: 15.999400    reduced_to: 91  - symbol: O # 93    coordinates: [  0.368478205583075,  0.135241185541959,  0.367911321265844 ]    mass: 15.999400    reduced_to: 93  - symbol: O # 94    coordinates: [  0.368478205583075,  0.635241185541960,  0.367911321265844 ]    mass: 15.999400    reduced_to: 93  - symbol: O # 95    coordinates: [  0.389396054249967,  0.000000000000000,  0.128131811978228 ]    mass: 15.999400    reduced_to: 95  - symbol: O # 96    coordinates: [  0.389396054249967,  0.500000000000000,  0.128131811978228 ]    mass: 15.999400    reduced_to: 95  - symbol: O # 97    coordinates: [  0.880222689470493,  0.146028522351945,  0.385777607393147 ]    mass: 15.999400    reduced_to: 97  - symbol: O # 98    coordinates: [  0.880222689470493,  0.646028522351946,  0.385777607393147 ]    mass: 15.999400    reduced_to: 97  - symbol: O # 99    coordinates: [  0.367664313289950,  0.250000000000000,  0.137227898810230 ]    mass: 15.999400    reduced_to: 99  - symbol: O # 100    coordinates: [  0.367664313289950,  0.750000000000000,  0.137227898810230 ]    mass: 15.999400    reduced_to: 99  - symbol: O # 101    coordinates: [  0.631960970110103,  0.384905681403361,  0.132850307480491 ]    mass: 15.999400    reduced_to: 101  - symbol: O # 102    coordinates: [  0.631960970110103,  0.884905681403361,  0.132850307480491 ]    mass: 15.999400    reduced_to: 101  - symbol: O # 103    coordinates: [  0.116465514899821,  0.108520586105749,  0.109557405682144 ]    mass: 15.999400    reduced_to: 103  - symbol: O # 104    coordinates: [  0.116465514899821,  0.608520586105749,  0.109557405682144 ]    mass: 15.999400    reduced_to: 103  - symbol: O # 105    coordinates: [  0.884000670523869,  0.000000000000000,  0.107862666995292 ]    mass: 15.999400    reduced_to: 105  - symbol: O # 106    coordinates: [  0.884000670523869,  0.500000000000000,  0.107862666995292 ]    mass: 15.999400    reduced_to: 105  - symbol: O # 107    coordinates: [  0.866265365154438,  0.250000000000000,  0.120279967004079 ]    mass: 15.999400    reduced_to: 107  - symbol: O # 108    coordinates: [  0.866265365154438,  0.750000000000000,  0.120279967004079 ]    mass: 15.999400    reduced_to: 107  - symbol: O # 109    coordinates: [  0.631960970110103,  0.115094318596639,  0.132850307480491 ]    mass: 15.999400    reduced_to: 109  - symbol: O # 110    coordinates: [  0.631960970110103,  0.615094318596639,  0.132850307480491 ]    mass: 15.999400    reduced_to: 109nac:  born_effective_charge:  - # 1 (Mg)    - [  2.185980248909091, -0.075113020000000,  0.066717529454545 ]    - [ -0.075209390000000,  2.020064710545455,  0.055441210000000 ]    - [  0.059932430363636,  0.051655690000000,  2.117851200727273 ]  - # 2 (Mg)    - [  2.221132508909091, -0.000000000000000,  0.002227279454545 ]    - [  0.000000000000000,  2.056207600545454, -0.000000000000000 ]    - [  0.026501120363636, -0.000000000000000,  1.924994220727273 ]  - # 3 (Mg)    - [  2.185980248909091,  0.075113020000000,  0.066717529454545 ]    - [  0.075209390000000,  2.020064710545455, -0.055441210000000 ]    - [  0.059932430363636, -0.051655690000000,  2.117851200727273 ]  - # 4 (Mg)    - [  2.136789028909091, -0.000000000000000,  0.109106849454546 ]    - [  0.000000000000000,  2.171431270545454, -0.000000000000000 ]    - [  0.091747580363636, -0.000000000000000,  1.910240210727273 ]  - # 5 (Mg)    - [  2.162653338909091, -0.020230480000000,  0.012762739454545 ]    - [ -0.016542940000000,  2.050418750545454,  0.014969540000000 ]    - [  0.054976750363636,  0.025842010000000,  2.187612820727273 ]  - # 6 (Mg)    - [  1.790168828909091, -0.366645540000000, -0.067747250545455 ]    - [ -0.293797750000000,  2.035192010545454,  0.221803910000000 ]    - [ -0.122525409636364,  0.206393720000000,  2.277669670727273 ]  - # 7 (Mg)    - [  2.162653338909091,  0.020230480000000,  0.012762739454545 ]    - [  0.016542940000000,  2.050418750545454, -0.014969540000000 ]    - [  0.054976750363636, -0.025842010000000,  2.187612820727273 ]  - # 8 (Mg)    - [  2.136789028909091, -0.000000000000000,  0.109106849454546 ]    - [  0.000000000000000,  2.171431270545454, -0.000000000000000 ]    - [  0.091747580363636, -0.000000000000000,  1.910240210727273 ]  - # 9 (Mg)    - [  1.790168828909091,  0.366645540000000, -0.067747250545455 ]    - [  0.293797750000000,  2.035192010545454, -0.221803910000000 ]    - [ -0.122525409636364, -0.206393720000000,  2.277669670727273 ]  - # 10 (Mg)    - [  2.162653338909091,  0.020230480000000,  0.012762739454545 ]    - [  0.016542940000000,  2.050418750545454, -0.014969540000000 ]    - [  0.054976750363636, -0.025842010000000,  2.187612820727273 ]  - # 11 (Mg)    - [  2.162653338909091, -0.020230480000000,  0.012762739454545 ]    - [ -0.016542940000000,  2.050418750545454,  0.014969540000000 ]    - [  0.054976750363636,  0.025842010000000,  2.187612820727273 ]  - # 12 (Mg)    - [  1.790168828909091,  0.366645540000000, -0.067747250545455 ]    - [  0.293797750000000,  2.035192010545454, -0.221803910000000 ]    - [ -0.122525409636364, -0.206393720000000,  2.277669670727273 ]  - # 13 (Mg)    - [  2.221132508909091, -0.000000000000000,  0.002227279454545 ]    - [  0.000000000000000,  2.056207600545454, -0.000000000000000 ]    - [  0.026501120363636, -0.000000000000000,  1.924994220727273 ]  - # 14 (Mg)    - [  2.185980248909091,  0.075113020000000,  0.066717529454545 ]    - [  0.075209390000000,  2.020064710545455, -0.055441210000000 ]    - [  0.059932430363636, -0.051655690000000,  2.117851200727273 ]  - # 15 (Mg)    - [  2.185980248909091, -0.075113020000000,  0.066717529454545 ]    - [ -0.075209390000000,  2.020064710545455,  0.055441210000000 ]    - [  0.059932430363636,  0.051655690000000,  2.117851200727273 ]  - # 16 (Mg)    - [  1.790168828909091, -0.366645540000000, -0.067747250545455 ]    - [ -0.293797750000000,  2.035192010545454,  0.221803910000000 ]    - [ -0.122525409636364,  0.206393720000000,  2.277669670727273 ]  - # 17 (Mg)    - [  1.914237778909091, -0.000000000000000, -0.238364140545455 ]    - [  0.000000000000000,  2.492370210545454, -0.000000000000000 ]    - [ -0.168127339636364, -0.000000000000000,  1.662939780727273 ]  - # 18 (As)    - [  3.528763958909091, -0.000000000000000,  0.027372749454545 ]    - [  0.000000000000000,  3.328908150545455, -0.000000000000000 ]    - [  0.079150910363636, -0.000000000000000,  3.287790000727274 ]  - # 19 (As)    - [  3.426361548909092, -0.000000000000000,  0.098241619454545 ]    - [  0.000000000000000,  3.248257360545455, -0.000000000000000 ]    - [  0.086282040363636, -0.000000000000000,  3.338971020727273 ]  - # 20 (As)    - [  3.426361548909092, -0.000000000000000,  0.098241619454545 ]    - [  0.000000000000000,  3.248257360545455, -0.000000000000000 ]    - [  0.086282040363636, -0.000000000000000,  3.338971020727273 ]  - # 21 (As)    - [  3.528763958909091, -0.000000000000000,  0.027372749454545 ]    - [  0.000000000000000,  3.328908150545455, -0.000000000000000 ]    - [  0.079150910363636, -0.000000000000000,  3.287790000727274 ]  - # 22 (As)    - [  4.075362328909091, -0.000000000000000,  0.035423209454545 ]    - [  0.000000000000000,  3.531519740545455, -0.000000000000000 ]    - [  0.047461710363636, -0.000000000000000,  4.276070390727273 ]  - # 23 (As)    - [  3.890067668909091, -0.000000000000000, -0.012546620545455 ]    - [  0.000000000000000,  3.963231060545455, -0.000000000000000 ]    - [ -0.059348709636364, -0.000000000000000,  3.900403550727273 ]  - # 24 (O)    - [ -2.020498771090909, -0.000000000000000,  0.147483989454545 ]    - [  0.000000000000000, -1.711677229454546, -0.000000000000000 ]    - [  0.220762910363636, -0.000000000000000, -1.891031879272728 ]  - # 25 (O)    - [ -2.472286501090909, -0.000000000000000, -0.409531830545455 ]    - [  0.000000000000000, -1.372102649454545, -0.000000000000000 ]    - [ -0.432512339636364, -0.000000000000000, -1.534962509272727 ]  - # 26 (O)    - [ -1.629006261090909, -0.461814120000000,  0.245285109454546 ]    - [ -0.509035120000000, -1.910191979454546,  0.051291740000000 ]    - [  0.263521900363636,  0.071063340000000, -1.469174339272727 ]  - # 27 (O)    - [ -1.833735451090909, -0.000000000000000,  0.081223919454545 ]    - [  0.000000000000000, -2.035355529454546, -0.000000000000000 ]    - [  0.085050550363636, -0.000000000000000, -2.019346719272727 ]  - # 28 (O)    - [ -1.800578611090909, -0.081336390000000, -0.101452840545455 ]    - [ -0.119575840000000, -1.942603549454546, -0.157642630000000 ]    - [ -0.109056669636364, -0.154222310000000, -1.813140959272727 ]  - # 29 (O)    - [ -1.143801071090909, -0.000000000000000, -0.087481330545455 ]    - [  0.000000000000000, -1.507716789454546, -0.000000000000000 ]    - [ -0.184902689636364, -0.000000000000000, -2.205057869272727 ]  - # 30 (O)    - [ -1.200699261090909, -0.000000000000000, -0.143121940545455 ]    - [  0.000000000000000, -1.531428339454546, -0.000000000000000 ]    - [ -0.205425919636364, -0.000000000000000, -2.350665699272727 ]  - # 31 (O)    - [ -1.629006261090909,  0.461814120000000,  0.245285109454546 ]    - [  0.509035120000000, -1.910191979454546, -0.051291740000000 ]    - [  0.263521900363636, -0.071063340000000, -1.469174339272727 ]  - # 32 (O)    - [ -1.844515661090909, -0.132764910000000, -0.075044600545455 ]    - [ -0.206591900000000, -1.643236369454546, -0.348357850000000 ]    - [ -0.100497689636364, -0.269969750000000, -1.882075499272728 ]  - # 33 (O)    - [ -2.449660301090909, -0.000000000000000, -0.366070170545455 ]    - [  0.000000000000000, -1.357280919454545, -0.000000000000000 ]    - [ -0.409086949636364, -0.000000000000000, -1.495139079272727 ]  - # 34 (O)    - [ -1.800578611090909,  0.081336390000000, -0.101452840545455 ]    - [  0.119575840000000, -1.942603549454546,  0.157642630000000 ]    - [ -0.109056669636364,  0.154222310000000, -1.813140959272727 ]  - # 35 (O)    - [ -1.844515661090909,  0.132764910000000, -0.075044600545455 ]    - [  0.206591900000000, -1.643236369454546,  0.348357850000000 ]    - [ -0.100497689636364,  0.269969750000000, -1.882075499272728 ]  - # 36 (O)    - [ -1.651444231090909, -0.000000000000000, -0.126206840545455 ]    - [  0.000000000000000, -2.066754999454546, -0.000000000000000 ]    - [ -0.114702339636364, -0.000000000000000, -1.926837159272728 ]  - # 37 (O)    - [ -1.651444231090909, -0.000000000000000, -0.126206840545455 ]    - [  0.000000000000000, -2.066754999454546, -0.000000000000000 ]    - [ -0.114702339636364, -0.000000000000000, -1.926837159272728 ]  - # 38 (O)    - [ -1.572117721090909, -0.408725370000000,  0.211259469454546 ]    - [ -0.470799160000000, -1.882228209454546,  0.018758400000000 ]    - [  0.259173900363636,  0.051552710000000, -1.425826309272727 ]  - # 39 (O)    - [ -2.065923671090909, -0.000000000000000,  0.190939169454546 ]    - [  0.000000000000000, -1.670879159454546, -0.000000000000000 ]    - [  0.236091870363636, -0.000000000000000, -1.944494569272728 ]  - # 40 (O)    - [ -1.572117721090909,  0.408725370000000,  0.211259469454546 ]    - [  0.470799160000000, -1.882228209454546, -0.018758400000000 ]    - [  0.259173900363636, -0.051552710000000, -1.425826309272727 ]  - # 41 (O)    - [ -1.143801071090909, -0.000000000000000, -0.087481330545455 ]    - [  0.000000000000000, -1.507716789454546, -0.000000000000000 ]    - [ -0.184902689636364, -0.000000000000000, -2.205057869272727 ]  - # 42 (O)    - [ -1.572117721090909,  0.408725370000000,  0.211259469454546 ]    - [  0.470799160000000, -1.882228209454546, -0.018758400000000 ]    - [  0.259173900363636, -0.051552710000000, -1.425826309272727 ]  - # 43 (O)    - [ -2.065923671090909, -0.000000000000000,  0.190939169454546 ]    - [  0.000000000000000, -1.670879159454546, -0.000000000000000 ]    - [  0.236091870363636, -0.000000000000000, -1.944494569272728 ]  - # 44 (O)    - [ -2.449660301090909, -0.000000000000000, -0.366070170545455 ]    - [  0.000000000000000, -1.357280919454545, -0.000000000000000 ]    - [ -0.409086949636364, -0.000000000000000, -1.495139079272727 ]  - # 45 (O)    - [ -1.800578611090909,  0.081336390000000, -0.101452840545455 ]    - [  0.119575840000000, -1.942603549454546,  0.157642630000000 ]    - [ -0.109056669636364,  0.154222310000000, -1.813140959272727 ]  - # 46 (O)    - [ -1.844515661090909,  0.132764910000000, -0.075044600545455 ]    - [  0.206591900000000, -1.643236369454546,  0.348357850000000 ]    - [ -0.100497689636364,  0.269969750000000, -1.882075499272728 ]  - # 47 (O)    - [ -1.572117721090909, -0.408725370000000,  0.211259469454546 ]    - [ -0.470799160000000, -1.882228209454546,  0.018758400000000 ]    - [  0.259173900363636,  0.051552710000000, -1.425826309272727 ]  - # 48 (O)    - [ -2.472286501090909, -0.000000000000000, -0.409531830545455 ]    - [  0.000000000000000, -1.372102649454545, -0.000000000000000 ]    - [ -0.432512339636364, -0.000000000000000, -1.534962509272727 ]  - # 49 (O)    - [ -1.844515661090909, -0.132764910000000, -0.075044600545455 ]    - [ -0.206591900000000, -1.643236369454546, -0.348357850000000 ]    - [ -0.100497689636364, -0.269969750000000, -1.882075499272728 ]  - # 50 (O)    - [ -1.200699261090909, -0.000000000000000, -0.143121940545455 ]    - [  0.000000000000000, -1.531428339454546, -0.000000000000000 ]    - [ -0.205425919636364, -0.000000000000000, -2.350665699272727 ]  - # 51 (O)    - [ -1.629006261090909,  0.461814120000000,  0.245285109454546 ]    - [  0.509035120000000, -1.910191979454546, -0.051291740000000 ]    - [  0.263521900363636, -0.071063340000000, -1.469174339272727 ]  - # 52 (O)    - [ -1.800578611090909, -0.081336390000000, -0.101452840545455 ]    - [ -0.119575840000000, -1.942603549454546, -0.157642630000000 ]    - [ -0.109056669636364, -0.154222310000000, -1.813140959272727 ]  - # 53 (O)    - [ -2.020498771090909, -0.000000000000000,  0.147483989454545 ]    - [  0.000000000000000, -1.711677229454546, -0.000000000000000 ]    - [  0.220762910363636, -0.000000000000000, -1.891031879272728 ]  - # 54 (O)    - [ -1.833735451090909, -0.000000000000000,  0.081223919454545 ]    - [  0.000000000000000, -2.035355529454546, -0.000000000000000 ]    - [  0.085050550363636, -0.000000000000000, -2.019346719272727 ]  - # 55 (O)    - [ -1.629006261090909, -0.461814120000000,  0.245285109454546 ]    - [ -0.509035120000000, -1.910191979454546,  0.051291740000000 ]    - [  0.263521900363636,  0.071063340000000, -1.469174339272727 ]  dielectric_constant:    - [  3.257487240000000,  0.000000000000000,  0.032049780000000 ]    - [  0.000000000000000,  3.187077050000001,  0.000000000000000 ]    - [  0.032048860000000,  0.000000000000000,  3.213013010000001 ]  unit_conversion_factor: 14.399652displacement_pairs:- atom:    1  displacement:    [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  displacement_id: 1  paired_with:  - atom:    1    pair_distance: 0.00000000    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 133, 134, 135, 136, 137, 138 ]  - atom:    2    pair_distance: 6.06317263    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 139, 140, 141, 142, 143, 144 ]  - atom:    3    pair_distance: 4.64658744    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 145, 146, 147, 148, 149, 150 ]  - atom:    4    pair_distance: 6.34063500    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 151, 152, 153, 154, 155, 156 ]  - atom:    5    pair_distance: 2.99334788    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 157, 158, 159, 160, 161, 162 ]  - atom:    6    pair_distance: 3.06982475    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 163, 164, 165, 166, 167, 168 ]  - atom:    7    pair_distance: 5.23220336    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 169, 170, 171, 172, 173, 174 ]  - atom:    8    pair_distance: 3.03755939    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 175, 176, 177, 178, 179, 180 ]  - atom:    9    pair_distance: 5.58179676    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 181, 182, 183, 184, 185, 186 ]  - atom:   10    pair_distance: 8.18756911    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 187, 188, 189, 190, 191, 192 ]  - atom:   11    pair_distance: 4.35846205    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 193, 194, 195, 196, 197, 198 ]  - atom:   12    pair_distance: 7.40463962    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 199, 200, 201, 202, 203, 204 ]  - atom:   13    pair_distance: 5.18867397    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 205, 206, 207, 208, 209, 210 ]  - atom:   14    pair_distance: 7.92478205    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 211, 212, 213, 214, 215, 216 ]  - atom:   15    pair_distance: 6.75596909    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 217, 218, 219, 220, 221, 222 ]  - atom:   16    pair_distance: 5.24346578    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 223, 224, 225, 226, 227, 228 ]  - atom:   17    pair_distance: 5.33059504    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 229, 230, 231, 232, 233, 234 ]  - atom:   18    pair_distance: 5.28671638    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 235, 236, 237, 238, 239, 240 ]  - atom:   19    pair_distance: 6.36805602    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 241, 242, 243, 244, 245, 246 ]  - 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[ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 67077, 67078, 67079, 67080, 67081, 67082 ]  - atom:  105    pair_distance: 4.27726418    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 67083, 67084, 67085, 67086, 67087, 67088 ]  - atom:  107    pair_distance: 3.00747870    displacements:    - [  0.0063019009324968,  0.0077644088401498,  0.0000000000000000 ]    - [ -0.0063019009324968, -0.0077644088401498,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 67089, 67090, 67091, 67092 ]  - atom:  108    pair_distance: 6.76808617    displacements:    - [  0.0063019009324968,  0.0077644088401498,  0.0000000000000000 ]    - [ -0.0063019009324968, -0.0077644088401498,  0.0000000000000000 ]    - [ -0.0035648982045874,  0.0000000000000000,  0.0093429920684398 ]    - [  0.0035648982045874,  0.0000000000000000, -0.0093429920684398 ]    displacement_ids: [ 67093, 67094, 67095, 67096 ]displacement_pair_info:  number_of_singles: 132  number_of_pairs: 66964  duplicated_supercell_ids: # 0 means perfect supercell  - [ 4093, 145 ]  - [ 4451, 146 ]  - [ 4809, 147 ]  - [ 5469, 148 ]  - [ 6129, 149 ]  - [ 6487, 150 ]  - [ 4094, 805 ]  - [ 4452, 806 ]  - [ 4810, 807 ]  - [ 5470, 808 ]  - [ 6130, 809 ]  - [ 6488, 810 ]  - [ 4095, 1465 ]  - [ 4453, 1466 ]  - [ 4811, 1467 ]  - [ 5471, 1468 ]  - [ 6131, 1469 ]  - [ 6489, 1470 ]  - [ 4096, 2125 ]  - [ 4454, 2126 ]  - [ 4812, 2127 ]  - [ 5472, 2128 ]  - [ 6132, 2129 ]  - [ 6490, 2130 ]  - [ 4097, 2785 ]  - [ 4455, 2786 ]  - [ 4813, 2787 ]  - [ 5473, 2788 ]  - [ 6133, 2789 ]  - [ 6491, 2790 ]  - [ 4098, 3445 ]  - [ 4456, 3446 ]  - [ 4814, 3447 ]  - [ 5474, 3448 ]  - [ 6134, 3449 ]  - [ 6492, 3450 ]  - [ 6845, 169 ]  - [ 7201, 170 ]  - [ 7557, 171 ]  - [ 8217, 172 ]  - [ 8877, 173 ]  - [ 9233, 174 ]  - [ 6846, 829 ]  - [ 7202, 830 ]  - [ 7558, 831 ]  - [ 8218, 832 ]  - [ 8878, 833 ]  - [ 9234, 834 ]  - [ 6847, 1489 ]  - [ 7203, 1490 ]  - [ 7559, 1491 ]  - [ 8219, 1492 ]  - [ 8879, 1493 ]  - [ 9235, 1494 ]  - [ 6848, 2149 ]  - [ 7204, 2150 ]  - [ 7560, 2151 ]  - [ 8220, 2152 ]  - [ 8880, 2153 ]  - [ 9236, 2154 ]  - [ 6849, 2809 ]  - [ 7205, 2810 ]  - [ 7561, 2811 ]  - [ 8221, 2812 ]  - [ 8881, 2813 ]  - [ 9237, 2814 ]  - [ 6850, 3469 ]  - [ 7206, 3470 ]  - [ 7562, 3471 ]  - [ 8222, 3472 ]  - [ 8882, 3473 ]  - [ 9238, 3474 ]  - [ 9589, 181 ]  - [ 10249, 182 ]  - [ 10909, 183 ]  - [ 11569, 184 ]  - [ 12229, 185 ]  - [ 12889, 186 ]  - [ 9590, 841 ]  - [ 10250, 842 ]  - [ 10910, 843 ]  - [ 11570, 844 ]  - [ 12230, 845 ]  - [ 12890, 846 ]  - [ 9591, 1501 ]  - [ 10251, 1502 ]  - [ 10911, 1503 ]  - [ 11571, 1504 ]  - [ 12231, 1505 ]  - [ 12891, 1506 ]  - [ 9592, 2161 ]  - [ 10252, 2162 ]  - [ 10912, 2163 ]  - [ 11572, 2164 ]  - [ 12232, 2165 ]  - [ 12892, 2166 ]  - [ 9593, 2821 ]  - [ 10253, 2822 ]  - [ 10913, 2823 ]  - [ 11573, 2824 ]  - [ 12233, 2825 ]  - [ 12893, 2826 ]  - [ 9594, 3481 ]  - [ 10254, 3482 ]  - [ 10914, 3483 ]  - [ 11574, 3484 ]  - [ 12234, 3485 ]  - [ 12894, 3486 ]  - [ 13549, 193 ]  - [ 14209, 194 ]  - [ 14869, 195 ]  - [ 15529, 196 ]  - [ 16189, 197 ]  - [ 16849, 198 ]  - [ 13550, 853 ]  - [ 14210, 854 ]  - [ 14870, 855 ]  - [ 15530, 856 ]  - [ 16190, 857 ]  - [ 16850, 858 ]  - [ 13551, 1513 ]  - [ 14211, 1514 ]  - [ 14871, 1515 ]  - [ 15531, 1516 ]  - [ 16191, 1517 ]  - [ 16851, 1518 ]  - [ 13552, 2173 ]  - [ 14212, 2174 ]  - [ 14872, 2175 ]  - [ 15532, 2176 ]  - [ 16192, 2177 ]  - [ 16852, 2178 ]  - [ 13553, 2833 ]  - [ 14213, 2834 ]  - [ 14873, 2835 ]  - [ 15533, 2836 ]  - [ 16193, 2837 ]  - [ 16853, 2838 ]  - [ 13554, 3493 ]  - [ 14214, 3494 ]  - [ 14874, 3495 ]  - [ 15534, 3496 ]  - [ 16194, 3497 ]  - [ 16854, 3498 ]  - [ 17509, 325 ]  - [ 17867, 326 ]  - [ 18225, 327 ]  - [ 18555, 328 ]  - [ 18885, 329 ]  - [ 19243, 330 ]  - [ 17510, 985 ]  - [ 17868, 986 ]  - [ 18226, 987 ]  - [ 18556, 988 ]  - [ 18886, 989 ]  - [ 19244, 990 ]  - [ 17511, 1645 ]  - [ 17869, 1646 ]  - [ 18227, 1647 ]  - [ 18557, 1648 ]  - [ 18887, 1649 ]  - [ 19245, 1650 ]  - [ 17512, 2305 ]  - [ 17870, 2306 ]  - [ 18228, 2307 ]  - [ 18558, 2308 ]  - [ 18888, 2309 ]  - [ 19246, 2310 ]  - [ 17513, 2965 ]  - [ 17871, 2966 ]  - [ 18229, 2967 ]  - [ 18559, 2968 ]  - [ 18889, 2969 ]  - [ 19247, 2970 ]  - [ 17514, 3625 ]  - [ 17872, 3626 ]  - [ 18230, 3627 ]  - [ 18560, 3628 ]  - [ 18890, 3629 ]  - [ 19248, 3630 ]  - [ 19601, 337 ]  - [ 19957, 338 ]  - [ 20313, 339 ]  - [ 20973, 340 ]  - [ 21633, 341 ]  - [ 21989, 342 ]  - [ 19602, 997 ]  - [ 19958, 998 ]  - [ 20314, 999 ]  - [ 20974, 1000 ]  - [ 21634, 1001 ]  - [ 21990, 1002 ]  - [ 19603, 1657 ]  - [ 19959, 1658 ]  - [ 20315, 1659 ]  - [ 20975, 1660 ]  - [ 21635, 1661 ]  - [ 21991, 1662 ]  - [ 19604, 2317 ]  - [ 19960, 2318 ]  - [ 20316, 2319 ]  - [ 20976, 2320 ]  - [ 21636, 2321 ]  - [ 21992, 2322 ]  - [ 19605, 2977 ]  - [ 19961, 2978 ]  - [ 20317, 2979 ]  - [ 20977, 2980 ]  - [ 21637, 2981 ]  - [ 21993, 2982 ]  - [ 19606, 3637 ]  - [ 19962, 3638 ]  - [ 20318, 3639 ]  - [ 20978, 3640 ]  - [ 21638, 3641 ]  - [ 21994, 3642 ]  - [ 22345, 349 ]  - [ 22703, 350 ]  - [ 23061, 351 ]  - [ 23721, 352 ]  - [ 24381, 353 ]  - [ 24739, 354 ]  - [ 22346, 1009 ]  - [ 22704, 1010 ]  - [ 23062, 1011 ]  - [ 23722, 1012 ]  - [ 24382, 1013 ]  - [ 24740, 1014 ]  - [ 22347, 1669 ]  - [ 22705, 1670 ]  - [ 23063, 1671 ]  - [ 23723, 1672 ]  - [ 24383, 1673 ]  - [ 24741, 1674 ]  - [ 22348, 2329 ]  - [ 22706, 2330 ]  - [ 23064, 2331 ]  - [ 23724, 2332 ]  - [ 24384, 2333 ]  - [ 24742, 2334 ]  - [ 22349, 2989 ]  - [ 22707, 2990 ]  - [ 23065, 2991 ]  - [ 23725, 2992 ]  - [ 24385, 2993 ]  - [ 24743, 2994 ]  - [ 22350, 3649 ]  - [ 22708, 3650 ]  - [ 23066, 3651 ]  - [ 23726, 3652 ]  - [ 24386, 3653 ]  - [ 24744, 3654 ]  - [ 25097, 385 ]  - [ 25455, 386 ]  - [ 25813, 387 ]  - [ 26143, 388 ]  - [ 26473, 389 ]  - [ 26831, 390 ]  - [ 25098, 1045 ]  - [ 25456, 1046 ]  - [ 25814, 1047 ]  - [ 26144, 1048 ]  - [ 26474, 1049 ]  - [ 26832, 1050 ]  - [ 25099, 1705 ]  - [ 25457, 1706 ]  - [ 25815, 1707 ]  - [ 26145, 1708 ]  - [ 26475, 1709 ]  - [ 26833, 1710 ]  - [ 25100, 2365 ]  - [ 25458, 2366 ]  - [ 25816, 2367 ]  - [ 26146, 2368 ]  - [ 26476, 2369 ]  - [ 26834, 2370 ]  - [ 25101, 3025 ]  - [ 25459, 3026 ]  - [ 25817, 3027 ]  - [ 26147, 3028 ]  - [ 26477, 3029 ]  - [ 26835, 3030 ]  - [ 25102, 3685 ]  - [ 25460, 3686 ]  - [ 25818, 3687 ]  - [ 26148, 3688 ]  - [ 26478, 3689 ]  - [ 26836, 3690 ]  - [ 27189, 397 ]  - [ 27545, 398 ]  - [ 27901, 399 ]  - [ 28231, 400 ]  - [ 28561, 401 ]  - [ 28917, 402 ]  - [ 27190, 1057 ]  - [ 27546, 1058 ]  - [ 27902, 1059 ]  - [ 28232, 1060 ]  - [ 28562, 1061 ]  - [ 28918, 1062 ]  - [ 27191, 1717 ]  - [ 27547, 1718 ]  - [ 27903, 1719 ]  - [ 28233, 1720 ]  - [ 28563, 1721 ]  - [ 28919, 1722 ]  - [ 27192, 2377 ]  - [ 27548, 2378 ]  - [ 27904, 2379 ]  - [ 28234, 2380 ]  - [ 28564, 2381 ]  - [ 28920, 2382 ]  - [ 27193, 3037 ]  - [ 27549, 3038 ]  - [ 27905, 3039 ]  - [ 28235, 3040 ]  - [ 28565, 3041 ]  - [ 28921, 3042 ]  - [ 27194, 3697 ]  - [ 27550, 3698 ]  - [ 27906, 3699 ]  - [ 28236, 3700 ]  - [ 28566, 3701 ]  - [ 28922, 3702 ]  - [ 29273, 409 ]  - [ 29629, 410 ]  - [ 29985, 411 ]  - [ 30645, 412 ]  - [ 31305, 413 ]  - [ 31661, 414 ]  - [ 29274, 1069 ]  - [ 29630, 1070 ]  - [ 29986, 1071 ]  - [ 30646, 1072 ]  - [ 31306, 1073 ]  - [ 31662, 1074 ]  - [ 29275, 1729 ]  - [ 29631, 1730 ]  - [ 29987, 1731 ]  - [ 30647, 1732 ]  - [ 31307, 1733 ]  - [ 31663, 1734 ]  - [ 29276, 2389 ]  - [ 29632, 2390 ]  - [ 29988, 2391 ]  - [ 30648, 2392 ]  - [ 31308, 2393 ]  - [ 31664, 2394 ]  - [ 29277, 3049 ]  - [ 29633, 3050 ]  - [ 29989, 3051 ]  - [ 30649, 3052 ]  - [ 31309, 3053 ]  - [ 31665, 3054 ]  - [ 29278, 3709 ]  - [ 29634, 3710 ]  - [ 29990, 3711 ]  - [ 30650, 3712 ]  - [ 31310, 3713 ]  - [ 31666, 3714 ]  - [ 32017, 421 ]  - [ 32373, 422 ]  - [ 32729, 423 ]  - [ 33389, 424 ]  - [ 34049, 425 ]  - [ 34405, 426 ]  - [ 32018, 1081 ]  - [ 32374, 1082 ]  - [ 32730, 1083 ]  - [ 33390, 1084 ]  - [ 34050, 1085 ]  - [ 34406, 1086 ]  - [ 32019, 1741 ]  - [ 32375, 1742 ]  - [ 32731, 1743 ]  - [ 33391, 1744 ]  - [ 34051, 1745 ]  - [ 34407, 1746 ]  - [ 32020, 2401 ]  - [ 32376, 2402 ]  - [ 32732, 2403 ]  - [ 33392, 2404 ]  - [ 34052, 2405 ]  - [ 34408, 2406 ]  - [ 32021, 3061 ]  - [ 32377, 3062 ]  - [ 32733, 3063 ]  - [ 33393, 3064 ]  - [ 34053, 3065 ]  - [ 34409, 3066 ]  - [ 32022, 3721 ]  - [ 32378, 3722 ]  - [ 32734, 3723 ]  - [ 33394, 3724 ]  - [ 34054, 3725 ]  - [ 34410, 3726 ]  - [ 34761, 433 ]  - [ 35421, 434 ]  - [ 36081, 435 ]  - [ 36741, 436 ]  - [ 37401, 437 ]  - [ 38061, 438 ]  - [ 34762, 1093 ]  - [ 35422, 1094 ]  - [ 36082, 1095 ]  - [ 36742, 1096 ]  - [ 37402, 1097 ]  - [ 38062, 1098 ]  - [ 34763, 1753 ]  - [ 35423, 1754 ]  - [ 36083, 1755 ]  - [ 36743, 1756 ]  - [ 37403, 1757 ]  - [ 38063, 1758 ]  - [ 34764, 2413 ]  - [ 35424, 2414 ]  - [ 36084, 2415 ]  - [ 36744, 2416 ]  - [ 37404, 2417 ]  - [ 38064, 2418 ]  - [ 34765, 3073 ]  - [ 35425, 3074 ]  - [ 36085, 3075 ]  - [ 36745, 3076 ]  - [ 37405, 3077 ]  - [ 38065, 3078 ]  - [ 34766, 3733 ]  - [ 35426, 3734 ]  - [ 36086, 3735 ]  - [ 36746, 3736 ]  - [ 37406, 3737 ]  - [ 38066, 3738 ]  - [ 38721, 445 ]  - [ 39079, 446 ]  - [ 39437, 447 ]  - [ 40097, 448 ]  - [ 40757, 449 ]  - [ 41115, 450 ]  - [ 38722, 1105 ]  - [ 39080, 1106 ]  - [ 39438, 1107 ]  - [ 40098, 1108 ]  - [ 40758, 1109 ]  - [ 41116, 1110 ]  - [ 38723, 1765 ]  - [ 39081, 1766 ]  - [ 39439, 1767 ]  - [ 40099, 1768 ]  - [ 40759, 1769 ]  - [ 41117, 1770 ]  - [ 38724, 2425 ]  - [ 39082, 2426 ]  - [ 39440, 2427 ]  - [ 40100, 2428 ]  - [ 40760, 2429 ]  - [ 41118, 2430 ]  - [ 38725, 3085 ]  - [ 39083, 3086 ]  - [ 39441, 3087 ]  - [ 40101, 3088 ]  - [ 40761, 3089 ]  - [ 41119, 3090 ]  - [ 38726, 3745 ]  - [ 39084, 3746 ]  - [ 39442, 3747 ]  - [ 40102, 3748 ]  - [ 40762, 3749 ]  - [ 41120, 3750 ]  - [ 41473, 457 ]  - [ 42133, 458 ]  - [ 42793, 459 ]  - [ 43453, 460 ]  - [ 44113, 461 ]  - [ 44773, 462 ]  - [ 41474, 1117 ]  - [ 42134, 1118 ]  - [ 42794, 1119 ]  - [ 43454, 1120 ]  - [ 44114, 1121 ]  - [ 44774, 1122 ]  - [ 41475, 1777 ]  - [ 42135, 1778 ]  - [ 42795, 1779 ]  - [ 43455, 1780 ]  - [ 44115, 1781 ]  - [ 44775, 1782 ]  - [ 41476, 2437 ]  - [ 42136, 2438 ]  - [ 42796, 2439 ]  - [ 43456, 2440 ]  - [ 44116, 2441 ]  - [ 44776, 2442 ]  - [ 41477, 3097 ]  - [ 42137, 3098 ]  - [ 42797, 3099 ]  - [ 43457, 3100 ]  - [ 44117, 3101 ]  - [ 44777, 3102 ]  - [ 41478, 3757 ]  - [ 42138, 3758 ]  - [ 42798, 3759 ]  - [ 43458, 3760 ]  - [ 44118, 3761 ]  - [ 44778, 3762 ]  - [ 45433, 469 ]  - [ 45789, 470 ]  - [ 46145, 471 ]  - [ 46805, 472 ]  - [ 47465, 473 ]  - [ 47821, 474 ]  - [ 45434, 1129 ]  - [ 45790, 1130 ]  - [ 46146, 1131 ]  - [ 46806, 1132 ]  - [ 47466, 1133 ]  - [ 47822, 1134 ]  - [ 45435, 1789 ]  - [ 45791, 1790 ]  - [ 46147, 1791 ]  - [ 46807, 1792 ]  - [ 47467, 1793 ]  - [ 47823, 1794 ]  - [ 45436, 2449 ]  - [ 45792, 2450 ]  - [ 46148, 2451 ]  - [ 46808, 2452 ]  - [ 47468, 2453 ]  - [ 47824, 2454 ]  - [ 45437, 3109 ]  - [ 45793, 3110 ]  - [ 46149, 3111 ]  - [ 46809, 3112 ]  - [ 47469, 3113 ]  - [ 47825, 3114 ]  - [ 45438, 3769 ]  - [ 45794, 3770 ]  - [ 46150, 3771 ]  - [ 46810, 3772 ]  - [ 47470, 3773 ]  - [ 47826, 3774 ]  - [ 48177, 481 ]  - [ 48535, 482 ]  - [ 48893, 483 ]  - [ 49553, 484 ]  - [ 50213, 485 ]  - [ 50571, 486 ]  - [ 48178, 1141 ]  - [ 48536, 1142 ]  - [ 48894, 1143 ]  - [ 49554, 1144 ]  - [ 50214, 1145 ]  - [ 50572, 1146 ]  - [ 48179, 1801 ]  - [ 48537, 1802 ]  - [ 48895, 1803 ]  - [ 49555, 1804 ]  - [ 50215, 1805 ]  - [ 50573, 1806 ]  - [ 48180, 2461 ]  - [ 48538, 2462 ]  - [ 48896, 2463 ]  - [ 49556, 2464 ]  - [ 50216, 2465 ]  - [ 50574, 2466 ]  - [ 48181, 3121 ]  - [ 48539, 3122 ]  - [ 48897, 3123 ]  - [ 49557, 3124 ]  - [ 50217, 3125 ]  - [ 50575, 3126 ]  - [ 48182, 3781 ]  - [ 48540, 3782 ]  - [ 48898, 3783 ]  - [ 49558, 3784 ]  - [ 50218, 3785 ]  - [ 50576, 3786 ]  - [ 50929, 505 ]  - [ 51589, 506 ]  - [ 52249, 507 ]  - [ 52909, 508 ]  - [ 53569, 509 ]  - [ 54229, 510 ]  - [ 50930, 1165 ]  - [ 51590, 1166 ]  - [ 52250, 1167 ]  - [ 52910, 1168 ]  - [ 53570, 1169 ]  - [ 54230, 1170 ]  - [ 50931, 1825 ]  - [ 51591, 1826 ]  - [ 52251, 1827 ]  - [ 52911, 1828 ]  - [ 53571, 1829 ]  - [ 54231, 1830 ]  - [ 50932, 2485 ]  - [ 51592, 2486 ]  - [ 52252, 2487 ]  - [ 52912, 2488 ]  - [ 53572, 2489 ]  - [ 54232, 2490 ]  - [ 50933, 3145 ]  - [ 51593, 3146 ]  - [ 52253, 3147 ]  - [ 52913, 3148 ]  - [ 53573, 3149 ]  - [ 54233, 3150 ]  - [ 50934, 3805 ]  - [ 51594, 3806 ]  - [ 52254, 3807 ]  - [ 52914, 3808 ]  - [ 53574, 3809 ]  - [ 54234, 3810 ]  - [ 54889, 517 ]  - [ 55247, 518 ]  - [ 55605, 519 ]  - [ 56265, 520 ]  - [ 56925, 521 ]  - [ 57283, 522 ]  - [ 54890, 1177 ]  - [ 55248, 1178 ]  - [ 55606, 1179 ]  - [ 56266, 1180 ]  - [ 56926, 1181 ]  - [ 57284, 1182 ]  - [ 54891, 1837 ]  - [ 55249, 1838 ]  - [ 55607, 1839 ]  - [ 56267, 1840 ]  - [ 56927, 1841 ]  - [ 57285, 1842 ]  - [ 54892, 2497 ]  - [ 55250, 2498 ]  - [ 55608, 2499 ]  - [ 56268, 2500 ]  - [ 56928, 2501 ]  - [ 57286, 2502 ]  - [ 54893, 3157 ]  - [ 55251, 3158 ]  - [ 55609, 3159 ]  - [ 56269, 3160 ]  - [ 56929, 3161 ]  - [ 57287, 3162 ]  - [ 54894, 3817 ]  - [ 55252, 3818 ]  - [ 55610, 3819 ]  - [ 56270, 3820 ]  - [ 56930, 3821 ]  - [ 57288, 3822 ]  - [ 57641, 553 ]  - [ 57997, 554 ]  - [ 58353, 555 ]  - [ 59013, 556 ]  - [ 59673, 557 ]  - [ 60029, 558 ]  - [ 57642, 1213 ]  - [ 57998, 1214 ]  - [ 58354, 1215 ]  - [ 59014, 1216 ]  - [ 59674, 1217 ]  - [ 60030, 1218 ]  - [ 57643, 1873 ]  - [ 57999, 1874 ]  - [ 58355, 1875 ]  - [ 59015, 1876 ]  - [ 59675, 1877 ]  - [ 60031, 1878 ]  - [ 57644, 2533 ]  - [ 58000, 2534 ]  - [ 58356, 2535 ]  - [ 59016, 2536 ]  - [ 59676, 2537 ]  - [ 60032, 2538 ]  - [ 57645, 3193 ]  - [ 58001, 3194 ]  - [ 58357, 3195 ]  - [ 59017, 3196 ]  - [ 59677, 3197 ]  - [ 60033, 3198 ]  - [ 57646, 3853 ]  - [ 58002, 3854 ]  - [ 58358, 3855 ]  - [ 59018, 3856 ]  - [ 59678, 3857 ]  - [ 60034, 3858 ]  - [ 60385, 577 ]  - [ 61045, 578 ]  - [ 61705, 579 ]  - [ 62365, 580 ]  - [ 63025, 581 ]  - [ 63685, 582 ]  - [ 60386, 1237 ]  - [ 61046, 1238 ]  - [ 61706, 1239 ]  - [ 62366, 1240 ]  - [ 63026, 1241 ]  - [ 63686, 1242 ]  - [ 60387, 1897 ]  - [ 61047, 1898 ]  - [ 61707, 1899 ]  - [ 62367, 1900 ]  - [ 63027, 1901 ]  - [ 63687, 1902 ]  - [ 60388, 2557 ]  - [ 61048, 2558 ]  - [ 61708, 2559 ]  - [ 62368, 2560 ]  - [ 63028, 2561 ]  - [ 63688, 2562 ]  - [ 60389, 3217 ]  - [ 61049, 3218 ]  - 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