# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/9c952e99-a09b-46a2-b6b3-009300a0deac/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 Mg10Si3(H2O9)2 / Pnnm (58) / materials id 695890](https://mdr.nims.go.jp/datasets/bfd3cda9-284d-4f75-ba36-33f7881ec1c8) ## Fulltext phono3py: version: "3.21.0" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "Pnnm" number: 58 Hall_symbol: "-P 2 2n"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: - 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symbol: Mg # 22 coordinates: [ 0.578335582609690, 0.322923576530264, 0.823936066022417 ] mass: 24.305000 reduced_to: 21 - symbol: Mg # 23 coordinates: [ 0.421664417390310, 0.677076423469736, 0.823936066022417 ] mass: 24.305000 reduced_to: 23 - symbol: Mg # 24 coordinates: [ 0.921664417390310, 0.677076423469736, 0.823936066022417 ] mass: 24.305000 reduced_to: 23 - symbol: Mg # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.322143777601516 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.322143777601516 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 27 coordinates: [ 0.250000000000000, 0.500000000000000, 0.177856222398484 ] mass: 24.305000 reduced_to: 27 - symbol: Mg # 28 coordinates: [ 0.750000000000000, 0.500000000000000, 0.177856222398484 ] mass: 24.305000 reduced_to: 27 - symbol: Mg # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.677856222398484 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.677856222398484 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 31 coordinates: [ 0.250000000000000, 0.500000000000000, 0.822143777601516 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 32 coordinates: [ 0.750000000000000, 0.500000000000000, 0.822143777601516 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 33 coordinates: [ 0.000000000000000, 0.500000000000000, 0.341037044689215 ] mass: 24.305000 reduced_to: 33 - symbol: Mg # 34 coordinates: [ 0.500000000000000, 0.500000000000000, 0.341037044689215 ] mass: 24.305000 reduced_to: 33 - symbol: Mg # 35 coordinates: [ 0.250000000000000, 0.000000000000000, 0.158962955310785 ] mass: 24.305000 reduced_to: 35 - symbol: Mg # 36 coordinates: [ 0.750000000000000, 0.000000000000000, 0.158962955310785 ] mass: 24.305000 reduced_to: 35 - symbol: Mg # 37 coordinates: [ 0.000000000000000, 0.500000000000000, 0.658962955310785 ] mass: 24.305000 reduced_to: 37 - symbol: Mg # 38 coordinates: [ 0.500000000000000, 0.500000000000000, 0.658962955310785 ] mass: 24.305000 reduced_to: 37 - symbol: Mg # 39 coordinates: [ 0.250000000000000, 0.000000000000000, 0.841037044689215 ] mass: 24.305000 reduced_to: 39 - symbol: Mg # 40 coordinates: [ 0.750000000000000, 0.000000000000000, 0.841037044689215 ] mass: 24.305000 reduced_to: 39 - symbol: Si # 41 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 43 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 45 coordinates: [ 0.007798642120945, 0.876388503878019, 0.000000000000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.507798642120945, 0.876388503878019, 0.000000000000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 47 coordinates: [ 0.492201357879055, 0.123611496121981, 0.000000000000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 48 coordinates: [ 0.992201357879055, 0.123611496121981, 0.000000000000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 49 coordinates: [ 0.257798642120945, 0.623611496121981, 0.500000000000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 50 coordinates: [ 0.757798642120945, 0.623611496121981, 0.500000000000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 51 coordinates: [ 0.242201357879055, 0.376388503878019, 0.500000000000000 ] mass: 28.085500 reduced_to: 51 - symbol: Si # 52 coordinates: [ 0.742201357879055, 0.376388503878019, 0.500000000000000 ] mass: 28.085500 reduced_to: 51 - symbol: H # 53 coordinates: [ 0.291382179459396, 0.811155451656967, 0.100496000071709 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.791382179459396, 0.811155451656967, 0.100496000071709 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.208617820540603, 0.188844548343033, 0.100496000071709 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.708617820540604, 0.188844548343033, 0.100496000071709 ] mass: 1.007940 reduced_to: 55 - symbol: H # 57 coordinates: [ 0.041382179459396, 0.688844548343033, 0.399503999928291 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.541382179459396, 0.688844548343033, 0.399503999928291 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.458617820540604, 0.311155451656967, 0.399503999928291 ] mass: 1.007940 reduced_to: 59 - symbol: H # 60 coordinates: [ 0.958617820540604, 0.311155451656967, 0.399503999928291 ] mass: 1.007940 reduced_to: 59 - symbol: H # 61 coordinates: [ 0.208617820540603, 0.188844548343033, 0.899503999928291 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.708617820540604, 0.188844548343033, 0.899503999928291 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.291382179459396, 0.811155451656967, 0.899503999928291 ] mass: 1.007940 reduced_to: 63 - symbol: H # 64 coordinates: [ 0.791382179459396, 0.811155451656967, 0.899503999928291 ] mass: 1.007940 reduced_to: 63 - symbol: H # 65 coordinates: [ 0.458617820540604, 0.311155451656967, 0.600496000071709 ] mass: 1.007940 reduced_to: 65 - symbol: H # 66 coordinates: [ 0.958617820540604, 0.311155451656967, 0.600496000071709 ] mass: 1.007940 reduced_to: 65 - symbol: H # 67 coordinates: [ 0.041382179459396, 0.688844548343033, 0.600496000071709 ] mass: 1.007940 reduced_to: 67 - symbol: H # 68 coordinates: [ 0.541382179459396, 0.688844548343033, 0.600496000071709 ] mass: 1.007940 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.084194601526415, 0.914126447309382, 0.156772409150626 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.584194601526415, 0.914126447309382, 0.156772409150626 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.415805398473585, 0.085873552690618, 0.156772409150626 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.915805398473585, 0.085873552690618, 0.156772409150626 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.334194601526415, 0.585873552690618, 0.343227590849374 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.834194601526415, 0.585873552690618, 0.343227590849374 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.165805398473585, 0.414126447309382, 0.343227590849374 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.665805398473585, 0.414126447309382, 0.343227590849374 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.415805398473585, 0.085873552690618, 0.843227590849374 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.915805398473585, 0.085873552690618, 0.843227590849374 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.084194601526415, 0.914126447309382, 0.843227590849374 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.584194601526415, 0.914126447309382, 0.843227590849374 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.165805398473585, 0.414126447309382, 0.656772409150626 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.665805398473585, 0.414126447309382, 0.656772409150626 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.334194601526415, 0.585873552690618, 0.656772409150626 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.834194601526415, 0.585873552690618, 0.656772409150626 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.004657375139902, 0.758297240697198, 0.000000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.504657375139902, 0.758297240697198, 0.000000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.495342624860098, 0.241702759302802, 0.000000000000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.995342624860098, 0.241702759302802, 0.000000000000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.254657375139902, 0.741702759302802, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.754657375139902, 0.741702759302802, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.245342624860098, 0.258297240697198, 0.500000000000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.745342624860098, 0.258297240697198, 0.500000000000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.352333584335873, 0.912816688332340, 0.000000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.852333584335873, 0.912816688332340, 0.000000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.147666415664127, 0.087183311667660, 0.000000000000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.647666415664127, 0.087183311667660, 0.000000000000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.102333584335873, 0.587183311667660, 0.500000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.602333584335873, 0.587183311667660, 0.500000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.397666415664127, 0.412816688332340, 0.500000000000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.897666415664127, 0.412816688332340, 0.500000000000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.072660929899470, 0.573445802668795, 0.145322115296609 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.572660929899470, 0.573445802668795, 0.145322115296609 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.427339070100530, 0.426554197331204, 0.145322115296609 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.927339070100530, 0.426554197331204, 0.145322115296609 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.322660929899470, 0.926554197331205, 0.354677884703391 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.822660929899470, 0.926554197331205, 0.354677884703391 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.177339070100529, 0.073445802668795, 0.354677884703391 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.677339070100530, 0.073445802668795, 0.354677884703391 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.427339070100530, 0.426554197331204, 0.854677884703391 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.927339070100530, 0.426554197331204, 0.854677884703391 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.072660929899470, 0.573445802668795, 0.854677884703391 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.572660929899470, 0.573445802668795, 0.854677884703391 ] mass: 15.999400 reduced_to: 111 - symbol: O # 113 coordinates: [ 0.177339070100529, 0.073445802668795, 0.645322115296609 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.677339070100530, 0.073445802668795, 0.645322115296609 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.322660929899470, 0.926554197331205, 0.645322115296609 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.822660929899470, 0.926554197331205, 0.645322115296609 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.260604815314179, 0.753898607157009, 0.157751827466834 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.760604815314179, 0.753898607157009, 0.157751827466834 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.239395184685821, 0.246101392842991, 0.157751827466834 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.739395184685821, 0.246101392842991, 0.157751827466834 ] mass: 15.999400 reduced_to: 119 - symbol: O # 121 coordinates: [ 0.010604815314179, 0.746101392842991, 0.342248172533166 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.510604815314179, 0.746101392842991, 0.342248172533166 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.489395184685821, 0.253898607157009, 0.342248172533166 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.989395184685821, 0.253898607157009, 0.342248172533166 ] mass: 15.999400 reduced_to: 123 - symbol: O # 125 coordinates: [ 0.239395184685821, 0.246101392842991, 0.842248172533166 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.739395184685821, 0.246101392842991, 0.842248172533166 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.260604815314179, 0.753898607157009, 0.842248172533166 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.760604815314179, 0.753898607157009, 0.842248172533166 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.489395184685821, 0.253898607157009, 0.657751827466834 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.989395184685821, 0.253898607157009, 0.657751827466834 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.010604815314179, 0.746101392842991, 0.657751827466834 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.510604815314179, 0.746101392842991, 0.657751827466834 ] mass: 15.999400 reduced_to: 131 - symbol: O # 133 coordinates: [ 0.151892134965333, 0.420851014123267, 0.000000000000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.651892134965333, 0.420851014123267, 0.000000000000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.348107865034666, 0.579148985876733, 0.000000000000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.848107865034666, 0.579148985876733, 0.000000000000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 137 coordinates: [ 0.401892134965334, 0.079148985876733, 0.500000000000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.901892134965334, 0.079148985876733, 0.500000000000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 139 coordinates: [ 0.098107865034666, 0.920851014123267, 0.500000000000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.598107865034667, 0.920851014123267, 0.500000000000000 ] mass: 15.999400 reduced_to: 139nac: born_effective_charge: - # 1 (Mg) - [ 2.160619329714286, 0.059621910000000, 0.000000000000000 ] - [ -0.005118740000000, 2.232125748571428, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.753123479714286 ] - # 2 (Mg) - [ 2.160619329714286, 0.059621910000000, 0.000000000000000 ] - [ -0.005118740000000, 2.232125748571428, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.753123479714286 ] - # 3 (Mg) - [ 2.160619329714286, -0.059621910000000, 0.000000000000000 ] - [ 0.005118740000000, 2.232125748571428, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.753123479714286 ] - # 4 (Mg) - [ 2.160619329714286, -0.059621910000000, 0.000000000000000 ] - [ 0.005118740000000, 2.232125748571428, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.753123479714286 ] - # 5 (Mg) - [ 1.870991409714286, -0.048534000000000, 0.058246900000000 ] - [ 0.024541970000000, 2.091412778571428, -0.042469030000000 ] - [ 0.056670290000000, -0.015619460000000, 2.100143789714286 ] - # 6 (Mg) - [ 1.870991409714286, -0.048534000000000, -0.058246900000000 ] - [ 0.024541970000000, 2.091412778571428, 0.042469030000000 ] - [ -0.056670290000000, 0.015619460000000, 2.100143789714286 ] - # 7 (Mg) - [ 1.870991409714286, 0.048534000000000, -0.058246900000000 ] - [ -0.024541970000000, 2.091412778571428, -0.042469030000000 ] - [ -0.056670290000000, -0.015619460000000, 2.100143789714286 ] - # 8 (Mg) - [ 1.870991409714286, 0.048534000000000, 0.058246900000000 ] - [ -0.024541970000000, 2.091412778571428, 0.042469030000000 ] - [ 0.056670290000000, 0.015619460000000, 2.100143789714286 ] - # 9 (Mg) - [ 1.870991409714286, -0.048534000000000, 0.058246900000000 ] - [ 0.024541970000000, 2.091412778571428, -0.042469030000000 ] - [ 0.056670290000000, -0.015619460000000, 2.100143789714286 ] - # 10 (Mg) - [ 1.870991409714286, -0.048534000000000, -0.058246900000000 ] - [ 0.024541970000000, 2.091412778571428, 0.042469030000000 ] - [ -0.056670290000000, 0.015619460000000, 2.100143789714286 ] - # 11 (Mg) - [ 1.870991409714286, 0.048534000000000, -0.058246900000000 ] - [ -0.024541970000000, 2.091412778571428, -0.042469030000000 ] - [ -0.056670290000000, -0.015619460000000, 2.100143789714286 ] - # 12 (Mg) - [ 1.870991409714286, 0.048534000000000, 0.058246900000000 ] - [ -0.024541970000000, 2.091412778571428, 0.042469030000000 ] - [ 0.056670290000000, 0.015619460000000, 2.100143789714286 ] - # 13 (Mg) - [ 2.136607329714286, -0.046060760000000, 0.000000000000000 ] - [ -0.085294440000000, 1.784010068571429, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.149538759714286 ] - # 14 (Mg) - [ 2.136607329714286, 0.046060760000000, 0.000000000000000 ] - [ 0.085294440000000, 1.784010068571429, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.149538759714286 ] - # 15 (Mg) - [ 2.136607329714286, -0.046060760000000, 0.000000000000000 ] - [ -0.085294440000000, 1.784010068571429, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.149538759714286 ] - # 16 (Mg) - [ 2.136607329714286, 0.046060760000000, 0.000000000000000 ] - [ 0.085294440000000, 1.784010068571429, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.149538759714286 ] - # 17 (Mg) - [ 2.114569329714286, 0.025113900000000, 0.000000000000000 ] - [ 0.011365010000000, 1.988038518571428, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.154388379714286 ] - # 18 (Mg) - [ 2.114569329714286, -0.025113900000000, 0.000000000000000 ] - [ -0.011365010000000, 1.988038518571428, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.154388379714286 ] - # 19 (Mg) - [ 2.114569329714286, 0.025113900000000, 0.000000000000000 ] - [ 0.011365010000000, 1.988038518571428, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.154388379714286 ] - # 20 (Mg) - [ 2.114569329714286, -0.025113900000000, 0.000000000000000 ] - [ -0.011365010000000, 1.988038518571428, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.154388379714286 ] - # 21 (Si) - [ 3.642725929714286, -0.140339720000000, 0.000000000000000 ] - [ -0.176828630000000, 3.360377348571428, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.345042329714285 ] - # 22 (Si) - [ 3.642725929714286, 0.140339720000000, 0.000000000000000 ] - [ 0.176828630000000, 3.360377348571428, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.345042329714285 ] - # 23 (Si) - [ 3.176739659714285, -0.005398880000000, 0.000000000000000 ] - [ 0.167085200000000, 3.102479128571427, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.016783269714286 ] - # 24 (Si) - [ 3.176739659714285, -0.005398880000000, 0.000000000000000 ] - [ 0.167085200000000, 3.102479128571427, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.016783269714286 ] - # 25 (Si) - [ 3.176739659714285, 0.005398880000000, 0.000000000000000 ] - [ -0.167085200000000, 3.102479128571427, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.016783269714286 ] - # 26 (Si) - [ 3.176739659714285, 0.005398880000000, 0.000000000000000 ] - [ -0.167085200000000, 3.102479128571427, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.016783269714286 ] - # 27 (H) - [ 0.475964019714286, 0.218476030000000, -0.176838200000000 ] - [ 0.182372040000000, 0.759166058571428, -0.246410480000000 ] - [ -0.143314220000000, -0.247592900000000, 0.526966519714286 ] - # 28 (H) - [ 0.475964019714286, 0.218476030000000, 0.176838200000000 ] - [ 0.182372040000000, 0.759166058571428, 0.246410480000000 ] - [ 0.143314220000000, 0.247592900000000, 0.526966519714286 ] - # 29 (H) - [ 0.475964019714286, -0.218476030000000, 0.176838200000000 ] - [ -0.182372040000000, 0.759166058571428, -0.246410480000000 ] - [ 0.143314220000000, -0.247592900000000, 0.526966519714286 ] - # 30 (H) - [ 0.475964019714286, -0.218476030000000, -0.176838200000000 ] - [ -0.182372040000000, 0.759166058571428, 0.246410480000000 ] - [ -0.143314220000000, 0.247592900000000, 0.526966519714286 ] - # 31 (H) - [ 0.475964019714286, 0.218476030000000, -0.176838200000000 ] - [ 0.182372040000000, 0.759166058571428, -0.246410480000000 ] - [ -0.143314220000000, -0.247592900000000, 0.526966519714286 ] - # 32 (H) - [ 0.475964019714286, 0.218476030000000, 0.176838200000000 ] - [ 0.182372040000000, 0.759166058571428, 0.246410480000000 ] - [ 0.143314220000000, 0.247592900000000, 0.526966519714286 ] - # 33 (H) - [ 0.475964019714286, -0.218476030000000, 0.176838200000000 ] - [ -0.182372040000000, 0.759166058571428, -0.246410480000000 ] - [ 0.143314220000000, -0.247592900000000, 0.526966519714286 ] - # 34 (H) - [ 0.475964019714286, -0.218476030000000, -0.176838200000000 ] - [ -0.182372040000000, 0.759166058571428, 0.246410480000000 ] - [ -0.143314220000000, 0.247592900000000, 0.526966519714286 ] - # 35 (O) - [ -1.732616520285715, -0.084005950000000, -0.388853290000000 ] - [ -0.146680420000000, -1.621746321428572, -0.258162670000000 ] - [ -0.377647120000000, -0.235291870000000, -2.174007430285714 ] - # 36 (O) - [ -1.732616520285715, -0.084005950000000, 0.388853290000000 ] - [ -0.146680420000000, -1.621746321428572, 0.258162670000000 ] - [ 0.377647120000000, 0.235291870000000, -2.174007430285714 ] - # 37 (O) - [ -1.732616520285715, 0.084005950000000, 0.388853290000000 ] - [ 0.146680420000000, -1.621746321428572, -0.258162670000000 ] - [ 0.377647120000000, -0.235291870000000, -2.174007430285714 ] - # 38 (O) - [ -1.732616520285715, 0.084005950000000, -0.388853290000000 ] - [ 0.146680420000000, -1.621746321428572, 0.258162670000000 ] - [ -0.377647120000000, 0.235291870000000, -2.174007430285714 ] - # 39 (O) - [ -1.732616520285715, -0.084005950000000, -0.388853290000000 ] - [ -0.146680420000000, -1.621746321428572, -0.258162670000000 ] - [ -0.377647120000000, -0.235291870000000, -2.174007430285714 ] - # 40 (O) - [ -1.732616520285715, -0.084005950000000, 0.388853290000000 ] - [ -0.146680420000000, -1.621746321428572, 0.258162670000000 ] - [ 0.377647120000000, 0.235291870000000, -2.174007430285714 ] - # 41 (O) - [ -1.732616520285715, 0.084005950000000, 0.388853290000000 ] - [ 0.146680420000000, -1.621746321428572, -0.258162670000000 ] - [ 0.377647120000000, -0.235291870000000, -2.174007430285714 ] - # 42 (O) - [ -1.732616520285715, 0.084005950000000, -0.388853290000000 ] - [ 0.146680420000000, -1.621746321428572, 0.258162670000000 ] - [ -0.377647120000000, 0.235291870000000, -2.174007430285714 ] - # 43 (O) - [ -1.554962920285714, -0.002886000000000, 0.000000000000000 ] - [ 0.000685800000000, -2.407042951428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.439327110285714 ] - # 44 (O) - [ -1.554962920285714, -0.002886000000000, 0.000000000000000 ] - [ 0.000685800000000, -2.407042951428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.439327110285714 ] - # 45 (O) - [ -1.554962920285714, 0.002886000000000, 0.000000000000000 ] - [ -0.000685800000000, -2.407042951428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.439327110285714 ] - # 46 (O) - [ -1.554962920285714, 0.002886000000000, 0.000000000000000 ] - [ -0.000685800000000, -2.407042951428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.439327110285714 ] - # 47 (O) - [ -2.225571820285714, 0.127549760000000, 0.000000000000000 ] - [ 0.107307220000000, -1.949135351428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.563094430285714 ] - # 48 (O) - [ -2.225571820285714, 0.127549760000000, 0.000000000000000 ] - [ 0.107307220000000, -1.949135351428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.563094430285714 ] - # 49 (O) - [ -2.225571820285714, -0.127549760000000, 0.000000000000000 ] - [ -0.107307220000000, -1.949135351428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.563094430285714 ] - # 50 (O) - [ -2.225571820285714, -0.127549760000000, 0.000000000000000 ] - [ -0.107307220000000, -1.949135351428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.563094430285714 ] - # 51 (O) - [ -1.867755880285715, -0.072914050000000, -0.093835870000000 ] - [ -0.033130210000000, -1.836546561428572, -0.130909190000000 ] - [ -0.084040330000000, -0.128357480000000, -1.950618080285714 ] - # 52 (O) - [ -1.867755880285715, -0.072914050000000, 0.093835870000000 ] - [ -0.033130210000000, -1.836546561428572, 0.130909190000000 ] - [ 0.084040330000000, 0.128357480000000, -1.950618080285714 ] - # 53 (O) - [ -1.867755880285715, 0.072914050000000, 0.093835870000000 ] - [ 0.033130210000000, -1.836546561428572, -0.130909190000000 ] - [ 0.084040330000000, -0.128357480000000, -1.950618080285714 ] - # 54 (O) - [ -1.867755880285715, 0.072914050000000, -0.093835870000000 ] - [ 0.033130210000000, -1.836546561428572, 0.130909190000000 ] - [ -0.084040330000000, 0.128357480000000, -1.950618080285714 ] - # 55 (O) - [ -1.867755880285715, -0.072914050000000, -0.093835870000000 ] - [ -0.033130210000000, -1.836546561428572, -0.130909190000000 ] - [ -0.084040330000000, -0.128357480000000, -1.950618080285714 ] - # 56 (O) - [ -1.867755880285715, -0.072914050000000, 0.093835870000000 ] - [ -0.033130210000000, -1.836546561428572, 0.130909190000000 ] - [ 0.084040330000000, 0.128357480000000, -1.950618080285714 ] - # 57 (O) - [ -1.867755880285715, 0.072914050000000, 0.093835870000000 ] - [ 0.033130210000000, -1.836546561428572, -0.130909190000000 ] - [ 0.084040330000000, -0.128357480000000, -1.950618080285714 ] - # 58 (O) - [ -1.867755880285715, 0.072914050000000, -0.093835870000000 ] - [ 0.033130210000000, -1.836546561428572, 0.130909190000000 ] - [ -0.084040330000000, 0.128357480000000, -1.950618080285714 ] - # 59 (O) - [ -1.440904880285714, -0.035098870000000, 0.112051120000000 ] - [ -0.008950300000000, -1.635700001428572, 0.055845080000000 ] - [ 0.062579170000000, 0.041022310000000, -1.503337160285714 ] - # 60 (O) - [ -1.440904880285714, -0.035098870000000, -0.112051120000000 ] - [ -0.008950300000000, -1.635700001428572, -0.055845080000000 ] - [ -0.062579170000000, -0.041022310000000, -1.503337160285714 ] - # 61 (O) - [ -1.440904880285714, 0.035098870000000, -0.112051120000000 ] - [ 0.008950300000000, -1.635700001428572, 0.055845080000000 ] - [ -0.062579170000000, 0.041022310000000, -1.503337160285714 ] - # 62 (O) - [ -1.440904880285714, 0.035098870000000, 0.112051120000000 ] - [ 0.008950300000000, -1.635700001428572, -0.055845080000000 ] - [ 0.062579170000000, -0.041022310000000, -1.503337160285714 ] - # 63 (O) - [ -1.440904880285714, -0.035098870000000, 0.112051120000000 ] - [ -0.008950300000000, -1.635700001428572, 0.055845080000000 ] - [ 0.062579170000000, 0.041022310000000, -1.503337160285714 ] - # 64 (O) - [ -1.440904880285714, -0.035098870000000, -0.112051120000000 ] - [ -0.008950300000000, -1.635700001428572, -0.055845080000000 ] - [ -0.062579170000000, -0.041022310000000, -1.503337160285714 ] - # 65 (O) - [ -1.440904880285714, 0.035098870000000, -0.112051120000000 ] - [ 0.008950300000000, -1.635700001428572, 0.055845080000000 ] - [ -0.062579170000000, 0.041022310000000, -1.503337160285714 ] - # 66 (O) - [ -1.440904880285714, 0.035098870000000, 0.112051120000000 ] - [ 0.008950300000000, -1.635700001428572, -0.055845080000000 ] - [ 0.062579170000000, -0.041022310000000, -1.503337160285714 ] - # 67 (O) - [ -2.240720170285714, 0.262362120000000, 0.000000000000000 ] - [ 0.275514560000000, -1.943835741428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.742228790285714 ] - # 68 (O) - [ -2.240720170285714, 0.262362120000000, 0.000000000000000 ] - [ 0.275514560000000, -1.943835741428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.742228790285714 ] - # 69 (O) - [ -2.240720170285714, -0.262362120000000, 0.000000000000000 ] - [ -0.275514560000000, -1.943835741428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.742228790285714 ] - # 70 (O) - [ -2.240720170285714, -0.262362120000000, 0.000000000000000 ] - [ -0.275514560000000, -1.943835741428572, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.742228790285714 ] dielectric_constant: - [ 3.033848610000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.047306079999999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.017007580000000 ] 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: - [ 0.0075993836704701, 0.0000000000000000, 0.0064999513712791 ] - [ -0.0075993836704701, 0.0000000000000000, -0.0064999513712791 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 79, 80, 81, 82 ] - atom: 2 pair_distance: 5.11420268 displacements: - [ 0.0075993836704701, 0.0000000000000000, 0.0064999513712791 ] - [ -0.0075993836704701, 0.0000000000000000, -0.0064999513712791 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 83, 84, 85, 86 ] - atom: 3 pair_distance: 5.16707572 displacements: - [ 0.0075993836704701, 0.0000000000000000, 0.0064999513712791 ] - [ -0.0075993836704701, 0.0000000000000000, -0.0064999513712791 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 87, 88, 89, 90 ] - atom: 4 pair_distance: 5.95850342 displacements: - [ 0.0075993836704701, 0.0000000000000000, 0.0064999513712791 ] - [ -0.0075993836704701, 0.0000000000000000, -0.0064999513712791 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 91, 92, 93, 94 ] - atom: 5 pair_distance: 5.48981361 displacements: - [ 0.0075993836704701, 0.0000000000000000, 0.0064999513712791 ] - [ -0.0075993836704701, 0.0000000000000000, -0.0064999513712791 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 95, 96, 97, 98 ] - atom: 6 pair_distance: 5.48981361 displacements: - [ 0.0075993836704701, 0.0000000000000000, 0.0064999513712791 ] - [ -0.0075993836704701, 0.0000000000000000, -0.0064999513712791 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 99, 100, 101, 102 ] - atom: 7 pair_distance: 8.29382041 displacements: - [ 0.0075993836704701, 0.0000000000000000, 0.0064999513712791 ] - [ -0.0075993836704701, 0.0000000000000000, -0.0064999513712791 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 103, 104, 105, 106 ] - atom: 8 pair_distance: 9.28102551 displacements: - [ 0.0075993836704701, 0.0000000000000000, 0.0064999513712791 ] - [ -0.0075993836704701, 0.0000000000000000, -0.0064999513712791 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 107, 108, 109, 110 ] - atom: 9 pair_distance: 3.51362759 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 111, 112, 113, 114, 115, 116 ] - atom: 10 pair_distance: 6.16612921 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 117, 118, 119, 120, 121, 122 ] - atom: 11 pair_distance: 7.69121838 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 123, 124, 125, 126, 127, 128 ] - atom: 12 pair_distance: 8.27281271 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 129, 130, 131, 132, 133, 134 ] - atom: 13 pair_distance: 3.02566042 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 135, 136, 137, 138, 139, 140 ] - atom: 14 pair_distance: 2.94535608 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 141, 142, 143, 144, 145, 146 ] - atom: 15 pair_distance: 5.23214669 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 147, 148, 149, 150, 151, 152 ] - atom: 16 pair_distance: 6.65175451 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 153, 154, 155, 156, 157, 158 ] - atom: 25 pair_distance: 5.62106613 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - 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atom: 21 pair_distance: 4.96234055 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16275, 16276, 16277, 16278, 16279, 16280 ] - atom: 22 pair_distance: 6.52567257 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16281, 16282, 16283, 16284, 16285, 16286 ] - 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atom: 41 pair_distance: 2.98360429 displacements: - [ 0.0075993836704701, 0.0000000000000000, 0.0064999513712791 ] - [ -0.0075993836704701, 0.0000000000000000, -0.0064999513712791 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 16335, 16336, 16337 ] - atom: 42 pair_distance: 5.92089213 displacements: - [ 0.0075993836704701, 0.0000000000000000, 0.0064999513712791 ] - [ -0.0075993836704701, 0.0000000000000000, -0.0064999513712791 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 16338, 16339, 16340 ] - atom: 43 pair_distance: 7.57526463 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16341, 16342, 16343, 16344, 16345, 16346 ] - 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atom: 57 pair_distance: 2.72360432 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16383, 16384, 16385, 16386, 16387, 16388 ] - atom: 58 pair_distance: 5.40774209 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16389, 16390, 16391, 16392, 16393, 16394 ] - atom: 61 pair_distance: 6.19811300 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16395, 16396, 16397, 16398, 16399, 16400 ] - atom: 62 pair_distance: 6.53804404 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16401, 16402, 16403, 16404, 16405, 16406 ] - atom: 65 pair_distance: 5.84247559 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16407, 16408, 16409, 16410, 16411, 16412 ] - atom: 66 pair_distance: 3.50839949 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16413, 16414, 16415, 16416, 16417, 16418 ] - atom: 69 pair_distance: 6.07404342 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16419, 16420, 16421, 16422, 16423, 16424 ] - atom: 70 pair_distance: 7.36482247 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16425, 16426, 16427, 16428, 16429, 16430 ] - 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[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 54031, 54032, 54033, 54034, 54035, 54036 ] - atom: 138 pair_distance: 6.96542799 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 54037, 54038, 54039, 54040, 54041, 54042 ] - atom: 139 pair_distance: 8.26734779 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 54043, 54044, 54045, 54046, 54047, 54048 ] - atom: 140 pair_distance: 9.42746962 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 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 54049, 54050, 54051, 54052, 54053, 54054 ]displacement_pair_info: number_of_singles: 78 number_of_pairs: 53976 duplicated_supercell_ids: # 0 means perfect supercell - [ 3615, 111 ] - [ 4455, 112 ] - [ 5295, 113 ] - [ 6135, 114 ] - [ 6975, 115 ] - [ 7815, 116 ] - [ 3616, 575 ] - [ 4456, 576 ] - [ 5296, 577 ] - [ 6136, 578 ] - [ 6976, 579 ] - [ 7816, 580 ] - [ 3617, 1039 ] - [ 4457, 1040 ] - [ 5297, 1041 ] - [ 6137, 1042 ] - [ 6977, 1043 ] - [ 7817, 1044 ] - [ 3618, 1503 ] - [ 4458, 1504 ] - [ 5298, 1505 ] - [ 6138, 1506 ] - [ 6978, 1507 ] - [ 7818, 1508 ] - [ 3619, 1983 ] - [ 4459, 1984 ] - [ 5299, 1985 ] - [ 6139, 1986 ] - [ 6979, 1987 ] - [ 7819, 1988 ] - [ 3620, 2823 ] - [ 4460, 2824 ] - [ 5300, 2825 ] - [ 6140, 2826 ] - [ 6980, 2827 ] - [ 7820, 2828 ] - [ 8655, 159 ] - [ 9495, 160 ] - [ 10335, 161 ] - [ 11175, 162 ] - [ 12015, 163 ] - [ 12435, 164 ] - [ 8656, 623 ] - [ 9496, 624 ] - [ 10336, 625 ] - [ 11176, 626 ] - [ 12016, 627 ] - [ 12436, 628 ] - [ 8657, 1087 ] - [ 9497, 1088 ] - [ 10337, 1089 ] - [ 11177, 1090 ] - [ 12017, 1091 ] - [ 12437, 1092 ] - [ 8658, 1551 ] - [ 9498, 1552 ] - [ 10338, 1553 ] - [ 11178, 1554 ] - [ 12018, 1555 ] - [ 12438, 1556 ] - [ 8659, 2079 ] - [ 9499, 2080 ] - [ 10339, 2081 ] - [ 11179, 2082 ] - [ 12019, 2083 ] - [ 12439, 2084 ] - [ 8660, 2919 ] - [ 9500, 2920 ] - [ 10340, 2921 ] - [ 11180, 2922 ] - [ 12020, 2923 ] - [ 12440, 2924 ] - [ 12855, 183 ] - [ 13695, 184 ] - [ 14535, 185 ] - [ 15375, 186 ] - [ 16215, 187 ] - [ 16635, 188 ] - [ 12856, 647 ] - [ 13696, 648 ] - [ 14536, 649 ] - [ 15376, 650 ] - [ 16216, 651 ] - [ 16636, 652 ] - [ 12857, 1111 ] - [ 13697, 1112 ] - [ 14537, 1113 ] - [ 15377, 1114 ] - [ 16217, 1115 ] - [ 16637, 1116 ] - [ 12858, 1575 ] - [ 13698, 1576 ] - [ 14538, 1577 ] - [ 15378, 1578 ] - [ 16218, 1579 ] - [ 16638, 1580 ] - [ 12859, 2127 ] - [ 13699, 2128 ] - [ 14539, 2129 ] - [ 15379, 2130 ] - [ 16219, 2131 ] - [ 16639, 2132 ] - [ 12860, 2967 ] - [ 13700, 2968 ] - [ 14540, 2969 ] - [ 15380, 2970 ] - [ 16220, 2971 ] - [ 16640, 2972 ] - [ 17985, 1137 ] - [ 18449, 1138 ] - [ 17986, 1601 ] - [ 18450, 1602 ] - [ 18915, 2179 ] - [ 19335, 2180 ] - [ 18916, 3019 ] - [ 19336, 3020 ] - [ 20681, 1153 ] - [ 21145, 1154 ] - [ 20682, 1617 ] - [ 21146, 1618 ] - [ 21611, 2203 ] - [ 22451, 2204 ] - [ 21612, 3043 ] - [ 22452, 3044 ] - [ 23287, 255 ] - [ 24127, 256 ] - [ 24967, 257 ] - [ 25807, 258 ] - [ 26647, 259 ] - [ 27487, 260 ] - [ 23288, 719 ] - [ 24128, 720 ] - [ 24968, 721 ] - [ 25808, 722 ] - [ 26648, 723 ] - [ 27488, 724 ] - [ 23289, 1183 ] - [ 24129, 1184 ] - [ 24969, 1185 ] - [ 25809, 1186 ] - [ 26649, 1187 ] - [ 27489, 1188 ] - [ 23290, 1647 ] - [ 24130, 1648 ] - [ 24970, 1649 ] - [ 25810, 1650 ] - [ 26650, 1651 ] - [ 27490, 1652 ] - [ 23291, 2247 ] - [ 24131, 2248 ] - [ 24971, 2249 ] - [ 25811, 2250 ] - [ 26651, 2251 ] - [ 27491, 2252 ] - [ 23292, 3087 ] - [ 24132, 3088 ] - [ 24972, 3089 ] - [ 25812, 3090 ] - [ 26652, 3091 ] - [ 27492, 3092 ] - [ 28327, 303 ] - [ 29167, 304 ] - [ 30007, 305 ] - [ 30847, 306 ] - [ 31687, 307 ] - [ 32527, 308 ] - [ 28328, 767 ] - [ 29168, 768 ] - [ 30008, 769 ] - [ 30848, 770 ] - [ 31688, 771 ] - [ 32528, 772 ] - [ 28329, 1231 ] - [ 29169, 1232 ] - [ 30009, 1233 ] - [ 30849, 1234 ] - [ 31689, 1235 ] - [ 32529, 1236 ] - [ 28330, 1695 ] - [ 29170, 1696 ] - [ 30010, 1697 ] - [ 30850, 1698 ] - [ 31690, 1699 ] - [ 32530, 1700 ] - [ 28331, 2343 ] - [ 29171, 2344 ] - [ 30011, 2345 ] - [ 30851, 2346 ] - [ 31691, 2347 ] - [ 32531, 2348 ] - [ 28332, 3183 ] - [ 29172, 3184 ] - [ 30012, 3185 ] - [ 30852, 3186 ] - [ 31692, 3187 ] - [ 32532, 3188 ] - [ 34297, 1281 ] - [ 34761, 1282 ] - [ 34298, 1745 ] - [ 34762, 1746 ] - [ 35227, 2443 ] - [ 36067, 2444 ] - [ 35228, 3283 ] - [ 36068, 3284 ] - [ 37833, 1313 ] - [ 38297, 1314 ] - [ 37834, 1777 ] - [ 38298, 1778 ] - [ 38763, 2491 ] - [ 39603, 2492 ] - [ 38764, 3331 ] - [ 39604, 3332 ] - [ 40439, 415 ] - [ 41279, 416 ] - [ 42119, 417 ] - [ 42959, 418 ] - [ 43799, 419 ] - [ 44639, 420 ] - [ 40440, 879 ] - [ 41280, 880 ] - [ 42120, 881 ] - [ 42960, 882 ] - [ 43800, 883 ] - [ 44640, 884 ] - [ 40441, 1343 ] - [ 41281, 1344 ] - [ 42121, 1345 ] - [ 42961, 1346 ] - [ 43801, 1347 ] - [ 44641, 1348 ] - [ 40442, 1807 ] - [ 41282, 1808 ] - [ 42122, 1809 ] - [ 42962, 1810 ] - [ 43802, 1811 ] - [ 44642, 1812 ] - [ 40443, 2535 ] - [ 41283, 2536 ] - [ 42123, 2537 ] - [ 42963, 2538 ] - [ 43803, 2539 ] - [ 44643, 2540 ] - [ 40444, 3375 ] - [ 41284, 3376 ] - [ 42124, 3377 ] - [ 42964, 3378 ] - [ 43804, 3379 ] - [ 44644, 3380 ] - [ 45479, 463 ] - [ 46319, 464 ] - [ 47159, 465 ] - [ 47999, 466 ] - [ 48839, 467 ] - [ 49679, 468 ] - [ 45480, 927 ] - [ 46320, 928 ] - [ 47160, 929 ] - [ 48000, 930 ] - [ 48840, 931 ] - [ 49680, 932 ] - [ 45481, 1391 ] - [ 46321, 1392 ] - [ 47161, 1393 ] - [ 48001, 1394 ] - [ 48841, 1395 ] - [ 49681, 1396 ] - [ 45482, 1855 ] - [ 46322, 1856 ] - [ 47162, 1857 ] - [ 48002, 1858 ] - [ 48842, 1859 ] - [ 49682, 1860 ] - [ 45483, 2631 ] - [ 46323, 2632 ] - [ 47163, 2633 ] - [ 48003, 2634 ] - [ 48843, 2635 ] - [ 49683, 2636 ] - [ 45484, 3471 ] - [ 46324, 3472 ] - [ 47164, 3473 ] - [ 48004, 3474 ] - [ 48844, 3475 ] - [ 49684, 3476 ] - [ 51449, 1441 ] - [ 51913, 1442 ] - [ 51450, 1905 ] - [ 51914, 1906 ] - [ 52379, 2731 ] - [ 53219, 2732 ] - [ 52380, 3571 ] - [ 53220, 3572 ] - [ 8703, 3759 ] - [ 9543, 3760 ] - [ 10383, 3761 ] - [ 11223, 3762 ] - [ 12039, 3763 ] - [ 12459, 3764 ] - [ 8704, 4599 ] - [ 9544, 4600 ] - [ 10384, 4601 ] - [ 11224, 4602 ] - [ 12040, 4603 ] - [ 12460, 4604 ] - [ 8705, 5439 ] - [ 9545, 5440 ] - [ 10385, 5441 ] - [ 11225, 5442 ] - [ 12041, 5443 ] - [ 12461, 5444 ] - [ 8706, 6279 ] - [ 9546, 6280 ] - [ 10386, 6281 ] - [ 11226, 6282 ] - [ 12042, 6283 ] - [ 12462, 6284 ] - [ 8707, 7119 ] - [ 9547, 7120 ] - [ 10387, 7121 ] - [ 11227, 7122 ] - [ 12043, 7123 ] - [ 12463, 7124 ] - [ 8708, 7959 ] - [ 9548, 7960 ] - [ 10388, 7961 ] - [ 11228, 7962 ] - [ 12044, 7963 ] - [ 12464, 7964 ] - [ 12903, 3807 ] - [ 13743, 3808 ] - [ 14583, 3809 ] - [ 15423, 3810 ] - [ 16239, 3811 ] - [ 16659, 3812 ] - [ 12904, 4647 ] - [ 13744, 4648 ] - [ 14584, 4649 ] - [ 15424, 4650 ] - [ 16240, 4651 ] - [ 16660, 4652 ] - [ 12905, 5487 ] - [ 13745, 5488 ] - [ 14585, 5489 ] - [ 15425, 5490 ] - [ 16241, 5491 ] - [ 16661, 5492 ] - [ 12906, 6327 ] - [ 13746, 6328 ] - [ 14586, 6329 ] - [ 15426, 6330 ] - [ 16242, 6331 ] - [ 16662, 6332 ] - [ 12907, 7167 ] - [ 13747, 7168 ] - [ 14587, 7169 ] - [ 15427, 7170 ] - [ 16243, 7171 ] - [ 16663, 7172 ] - [ 12908, 8007 ] - [ 13748, 8008 ] - [ 14588, 8009 ] - [ 15428, 8010 ] - [ 16244, 8011 ] - [ 16664, 8012 ] - [ 17087, 3855 ] - [ 17551, 3856 ] - [ 18015, 3857 ] - [ 18479, 3858 ] - [ 18935, 3859 ] - [ 19355, 3860 ] - [ 17088, 4695 ] - [ 17552, 4696 ] - [ 18016, 4697 ] - [ 18480, 4698 ] - [ 18936, 4699 ] - [ 19356, 4700 ] - [ 17089, 5535 ] - [ 17553, 5536 ] - [ 18017, 5537 ] - [ 18481, 5538 ] - [ 18937, 5539 ] - [ 19357, 5540 ] - [ 17090, 6375 ] - [ 17554, 6376 ] - [ 18018, 6377 ] - [ 18482, 6378 ] - [ 18938, 6379 ] - [ 19358, 6380 ] - [ 17091, 7215 ] - [ 17555, 7216 ] - [ 18019, 7217 ] - [ 18483, 7218 ] - [ 18939, 7219 ] - [ 19359, 7220 ] - [ 17092, 8055 ] - [ 17556, 8056 ] - [ 18020, 8057 ] - [ 18484, 8058 ] - [ 18940, 8059 ] - [ 19360, 8060 ] - [ 19783, 3879 ] - [ 20247, 3880 ] - [ 20711, 3881 ] - [ 21175, 3882 ] - [ 21655, 3883 ] - [ 22495, 3884 ] - [ 19784, 4719 ] - [ 20248, 4720 ] - [ 20712, 4721 ] - [ 21176, 4722 ] - [ 21656, 4723 ] - [ 22496, 4724 ] - [ 19785, 5559 ] - [ 20249, 5560 ] - [ 20713, 5561 ] - [ 21177, 5562 ] - [ 21657, 5563 ] - [ 22497, 5564 ] - [ 19786, 6399 ] - [ 20250, 6400 ] - [ 20714, 6401 ] - [ 21178, 6402 ] - [ 21658, 6403 ] - [ 22498, 6404 ] - [ 19787, 7239 ] - [ 20251, 7240 ] - [ 20715, 7241 ] - [ 21179, 7242 ] - [ 21659, 7243 ] - [ 22499, 7244 ] - [ 19788, 8079 ] - [ 20252, 8080 ] - [ 20716, 8081 ] - [ 21180, 8082 ] - [ 21660, 8083 ] - [ 22500, 8084 ] - [ 23335, 3927 ] - [ 24175, 3928 ] - [ 25015, 3929 ] - [ 25855, 3930 ] - [ 26695, 3931 ] - [ 27535, 3932 ] - [ 23336, 4767 ] - [ 24176, 4768 ] - [ 25016, 4769 ] - [ 25856, 4770 ] - [ 26696, 4771 ] - [ 27536, 4772 ] - [ 23337, 5607 ] - [ 24177, 5608 ] - [ 25017, 5609 ] - [ 25857, 5610 ] - [ 26697, 5611 ] - [ 27537, 5612 ] - [ 23338, 6447 ] - [ 24178, 6448 ] - [ 25018, 6449 ] - [ 25858, 6450 ] - [ 26698, 6451 ] - [ 27538, 6452 ] - [ 23339, 7287 ] - [ 24179, 7288 ] - [ 25019, 7289 ] - [ 25859, 7290 ] - [ 26699, 7291 ] - [ 27539, 7292 ] - [ 23340, 8127 ] - [ 24180, 8128 ] - [ 25020, 8129 ] - [ 25860, 8130 ] - [ 26700, 8131 ] - [ 27540, 8132 ] - [ 28375, 4023 ] - [ 29215, 4024 ] - [ 30055, 4025 ] - [ 30895, 4026 ] - [ 31735, 4027 ] - [ 32575, 4028 ] - [ 28376, 4863 ] - [ 29216, 4864 ] - [ 30056, 4865 ] - [ 30896, 4866 ] - [ 31736, 4867 ] - [ 32576, 4868 ] - [ 28377, 5703 ] - [ 29217, 5704 ] - [ 30057, 5705 ] - [ 30897, 5706 ] - [ 31737, 5707 ] - [ 32577, 5708 ] - [ 28378, 6543 ] - [ 29218, 6544 ] - [ 30058, 6545 ] - [ 30898, 6546 ] - [ 31738, 6547 ] - [ 32578, 6548 ] - [ 28379, 7383 ] - [ 29219, 7384 ] - [ 30059, 7385 ] - [ 30899, 7386 ] - [ 31739, 7387 ] - [ 32579, 7388 ] - [ 28380, 8223 ] - [ 29220, 8224 ] - [ 30060, 8225 ] - [ 30900, 8226 ] - [ 31740, 8227 ] - [ 32580, 8228 ] - [ 33399, 4119 ] - [ 33863, 4120 ] - [ 34327, 4121 ] - [ 34791, 4122 ] - [ 35271, 4123 ] - [ 36111, 4124 ] - [ 33400, 4959 ] - [ 33864, 4960 ] - [ 34328, 4961 ] - [ 34792, 4962 ] - [ 35272, 4963 ] - [ 36112, 4964 ] - [ 33401, 5799 ] - [ 33865, 5800 ] - [ 34329, 5801 ] - [ 34793, 5802 ] - [ 35273, 5803 ] - [ 36113, 5804 ] - [ 33402, 6639 ] - [ 33866, 6640 ] - [ 34330, 6641 ] - [ 34794, 6642 ] - [ 35274, 6643 ] - [ 36114, 6644 ] - [ 33403, 7479 ] - [ 33867, 7480 ] - [ 34331, 7481 ] - [ 34795, 7482 ] - [ 35275, 7483 ] - [ 36115, 7484 ] - [ 33404, 8319 ] - [ 33868, 8320 ] - [ 34332, 8321 ] - [ 34796, 8322 ] - [ 35276, 8323 ] - [ 36116, 8324 ] - [ 36935, 4167 ] - [ 37399, 4168 ] - [ 37863, 4169 ] - [ 38327, 4170 ] - [ 38807, 4171 ] - [ 39647, 4172 ] - [ 36936, 5007 ] - [ 37400, 5008 ] - [ 37864, 5009 ] - [ 38328, 5010 ] - [ 38808, 5011 ] - [ 39648, 5012 ] - [ 36937, 5847 ] - [ 37401, 5848 ] - [ 37865, 5849 ] - [ 38329, 5850 ] - [ 38809, 5851 ] - [ 39649, 5852 ] - [ 36938, 6687 ] - [ 37402, 6688 ] - [ 37866, 6689 ] - [ 38330, 6690 ] - [ 38810, 6691 ] - [ 39650, 6692 ] - [ 36939, 7527 ] - [ 37403, 7528 ] - [ 37867, 7529 ] - [ 38331, 7530 ] - [ 38811, 7531 ] - [ 39651, 7532 ] - [ 36940, 8367 ] - [ 37404, 8368 ] - [ 37868, 8369 ] - [ 38332, 8370 ] - [ 38812, 8371 ] - [ 39652, 8372 ] - [ 40487, 4215 ] - [ 41327, 4216 ] - [ 42167, 4217 ] - [ 43007, 4218 ] - [ 43847, 4219 ] - [ 44687, 4220 ] - [ 40488, 5055 ] - [ 41328, 5056 ] - [ 42168, 5057 ] - [ 43008, 5058 ] - [ 43848, 5059 ] - [ 44688, 5060 ] - [ 40489, 5895 ] - [ 41329, 5896 ] - [ 42169, 5897 ] - [ 43009, 5898 ] - [ 43849, 5899 ] - [ 44689, 5900 ] - [ 40490, 6735 ] - [ 41330, 6736 ] - [ 42170, 6737 ] - [ 43010, 6738 ] - [ 43850, 6739 ] - [ 44690, 6740 ] - [ 40491, 7575 ] - [ 41331, 7576 ] - [ 42171, 7577 ] - [ 43011, 7578 ] - [ 43851, 7579 ] - [ 44691, 7580 ] - [ 40492, 8415 ] - [ 41332, 8416 ] - [ 42172, 8417 ] - [ 43012, 8418 ] - [ 43852, 8419 ] - [ 44692, 8420 ] - [ 45527, 4311 ] - [ 46367, 4312 ] - [ 47207, 4313 ] - [ 48047, 4314 ] - [ 48887, 4315 ] - [ 49727, 4316 ] - [ 45528, 5151 ] - [ 46368, 5152 ] - [ 47208, 5153 ] - [ 48048, 5154 ] - [ 48888, 5155 ] - [ 49728, 5156 ] - [ 45529, 5991 ] - [ 46369, 5992 ] - [ 47209, 5993 ] - [ 48049, 5994 ] - [ 48889, 5995 ] - [ 49729, 5996 ] - [ 45530, 6831 ] - [ 46370, 6832 ] - [ 47210, 6833 ] - [ 48050, 6834 ] - [ 48890, 6835 ] - [ 49730, 6836 ] - [ 45531, 7671 ] - [ 46371, 7672 ] - [ 47211, 7673 ] - [ 48051, 7674 ] - [ 48891, 7675 ] - [ 49731, 7676 ] - [ 45532, 8511 ] - [ 46372, 8512 ] - [ 47212, 8513 ] - [ 48052, 8514 ] - [ 48892, 8515 ] - [ 49732, 8516 ] - [ 50551, 4407 ] - [ 51015, 4408 ] - [ 51479, 4409 ] - [ 51943, 4410 ] - [ 52423, 4411 ] - [ 53263, 4412 ] - [ 50552, 5247 ] - [ 51016, 5248 ] - [ 51480, 5249 ] - [ 51944, 5250 ] - [ 52424, 5251 ] - [ 53264, 5252 ] - [ 50553, 6087 ] - [ 51017, 6088 ] - [ 51481, 6089 ] - [ 51945, 6090 ] - [ 52425, 6091 ] - [ 53265, 6092 ] - [ 50554, 6927 ] - [ 51018, 6928 ] - [ 51482, 6929 ] - [ 51946, 6930 ] - [ 52426, 6931 ] - [ 53266, 6932 ] - [ 50555, 7767 ] - [ 51019, 7768 ] - [ 51483, 7769 ] - [ 51947, 7770 ] - [ 52427, 7771 ] - [ 53267, 7772 ] - [ 50556, 8607 ] - [ 51020, 8608 ] - [ 51484, 8609 ] - [ 51948, 8610 ] - [ 52428, 8611 ] - [ 53268, 8612 ] - [ 12999, 8847 ] - [ 13839, 8848 ] - [ 14679, 8849 ] - [ 15519, 8850 ] - [ 13000, 9687 ] - [ 13840, 9688 ] - [ 14680, 9689 ] - [ 15520, 9690 ] - [ 13001, 10527 ] - [ 13841, 10528 ] - [ 14681, 10529 ] - [ 15521, 10530 ] - [ 16289, 10531 ] - [ 16709, 10532 ] - [ 13002, 11367 ] - [ 13842, 11368 ] - [ 14682, 11369 ] - [ 15522, 11370 ] - [ 14683, 12113 ] - [ 14684, 12533 ] - [ 17135, 8895 ] - [ 17599, 8896 ] - [ 18063, 8897 ] - [ 18527, 8898 ] - [ 17136, 9735 ] - [ 17600, 9736 ] - [ 18064, 9737 ] - [ 18528, 9738 ] - [ 17137, 10575 ] - [ 17601, 10576 ] - [ 18065, 10577 ] - [ 18529, 10578 ] - [ 18985, 10579 ] - [ 19405, 10580 ] - [ 17138, 11415 ] - [ 17602, 11416 ] - [ 18066, 11417 ] - [ 18530, 11418 ] - [ 18067, 12137 ] - [ 18068, 12557 ] - [ 19831, 8919 ] - [ 20295, 8920 ] - [ 20759, 8921 ] - [ 21223, 8922 ] - [ 21751, 8923 ] - [ 22591, 8924 ] - [ 19832, 9759 ] - [ 20296, 9760 ] - 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