# Fileset

[phonopy_mlp_eval_fc2_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/a2edd804-58d2-4716-9022-2e40558c4cbd/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 MgInBr3 / Pnma (62) / materials id 29483](https://mdr.nims.go.jp/datasets/03c567e1-6321-46e0-b0a3-c89cf520211b)

## Fulltext

phonopy:  version: "2.44.0"  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05space_group:  type: "Pnma"  number: 62  Hall_symbol: "-P 2ac 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,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     9.360213969999998,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.915204329999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.115574889999998 ] # c  points:  - symbol: Mg # 1    coordinates: [  0.661847846327705,  0.750000000000000,  0.944903671170537 ]    mass: 24.305000  - symbol: Mg # 2    coordinates: [  0.338152153672295,  0.250000000000000,  0.055096328829463 ]    mass: 24.305000  - symbol: Mg # 3    coordinates: [  0.161847846327705,  0.750000000000000,  0.555096328829463 ]    mass: 24.305000  - symbol: Mg # 4    coordinates: [  0.838152153672295,  0.250000000000000,  0.444903671170537 ]    mass: 24.305000  - symbol: Br # 5    coordinates: [  0.976328576429125,  0.250000000000000,  0.602318360254787 ]    mass: 79.904000  - symbol: Br # 6    coordinates: [  0.023671423570875,  0.750000000000000,  0.397681639745213 ]    mass: 79.904000  - symbol: Br # 7    coordinates: [  0.476328576429125,  0.250000000000000,  0.897681639745213 ]    mass: 79.904000  - symbol: Br # 8    coordinates: [  0.523671423570875,  0.750000000000000,  0.102318360254787 ]    mass: 79.904000  - symbol: Br # 9    coordinates: [  0.329405333517353,  0.250000000000000,  0.496940589335954 ]    mass: 79.904000  - symbol: Br # 10    coordinates: [  0.670594666482647,  0.750000000000000,  0.503059410664046 ]    mass: 79.904000  - symbol: Br # 11    coordinates: [  0.829405333517353,  0.250000000000000,  0.003059410664046 ]    mass: 79.904000  - symbol: Br # 12    coordinates: [  0.170594666482647,  0.750000000000000,  0.996940589335954 ]    mass: 79.904000  - symbol: Br # 13    coordinates: [  0.725094651992658,  0.250000000000000,  0.287790659357094 ]    mass: 79.904000  - symbol: Br # 14    coordinates: [  0.274905348007342,  0.750000000000000,  0.712209340642906 ]    mass: 79.904000  - symbol: Br # 15    coordinates: [  0.225094651992658,  0.250000000000000,  0.212209340642906 ]    mass: 79.904000  - symbol: Br # 16    coordinates: [  0.774905348007342,  0.750000000000000,  0.787790659357094 ]    mass: 79.904000  - symbol: In # 17    coordinates: [  0.966336809483915,  0.750000000000000,  0.175746895924915 ]    mass: 114.818000  - symbol: In # 18    coordinates: [  0.033663190516085,  0.250000000000000,  0.824253104075085 ]    mass: 114.818000  - symbol: In # 19    coordinates: [  0.466336809483915,  0.750000000000000,  0.324253104075085 ]    mass: 114.818000  - symbol: In # 20    coordinates: [  0.533663190516085,  0.250000000000000,  0.675746895924915 ]    mass: 114.818000  reciprocal_lattice: # without 2pi  - [     0.106835164581179,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.255414511150175,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.066156928021413 ] # c*unit_cell:  lattice:  - [     9.360213969999998,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.915204329999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.115574889999998 ] # c  points:  - symbol: Mg # 1    coordinates: [  0.661847846327705,  0.750000000000000,  0.944903671170537 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 2    coordinates: [  0.338152153672295,  0.250000000000000,  0.055096328829463 ]    mass: 24.305000    reduced_to: 2  - symbol: Mg # 3    coordinates: [  0.161847846327705,  0.750000000000000,  0.555096328829463 ]    mass: 24.305000    reduced_to: 3  - symbol: Mg # 4    coordinates: [  0.838152153672295,  0.250000000000000,  0.444903671170537 ]    mass: 24.305000    reduced_to: 4  - symbol: Br # 5    coordinates: [  0.976328576429125,  0.250000000000000,  0.602318360254787 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 6    coordinates: [  0.023671423570875,  0.750000000000000,  0.397681639745213 ]    mass: 79.904000    reduced_to: 6  - symbol: Br # 7    coordinates: [  0.476328576429125,  0.250000000000000,  0.897681639745213 ]    mass: 79.904000    reduced_to: 7  - symbol: Br # 8    coordinates: [  0.523671423570875,  0.750000000000000,  0.102318360254787 ]    mass: 79.904000    reduced_to: 8  - symbol: Br # 9    coordinates: [  0.329405333517353,  0.250000000000000,  0.496940589335954 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 10    coordinates: [  0.670594666482647,  0.750000000000000,  0.503059410664046 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 11    coordinates: [  0.829405333517353,  0.250000000000000,  0.003059410664046 ]    mass: 79.904000    reduced_to: 11  - symbol: Br # 12    coordinates: [  0.170594666482647,  0.750000000000000,  0.996940589335954 ]    mass: 79.904000    reduced_to: 12  - symbol: Br # 13    coordinates: [  0.725094651992658,  0.250000000000000,  0.287790659357094 ]    mass: 79.904000    reduced_to: 13  - symbol: Br # 14    coordinates: [  0.274905348007342,  0.750000000000000,  0.712209340642906 ]    mass: 79.904000    reduced_to: 14  - symbol: Br # 15    coordinates: [  0.225094651992658,  0.250000000000000,  0.212209340642906 ]    mass: 79.904000    reduced_to: 15  - symbol: Br # 16    coordinates: [  0.774905348007342,  0.750000000000000,  0.787790659357094 ]    mass: 79.904000    reduced_to: 16  - symbol: In # 17    coordinates: [  0.966336809483915,  0.750000000000000,  0.175746895924915 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 18    coordinates: [  0.033663190516085,  0.250000000000000,  0.824253104075085 ]    mass: 114.818000    reduced_to: 18  - symbol: In # 19    coordinates: [  0.466336809483915,  0.750000000000000,  0.324253104075085 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 20    coordinates: [  0.533663190516085,  0.250000000000000,  0.675746895924915 ]    mass: 114.818000    reduced_to: 20supercell:  lattice:  - [    18.720427939999997,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.745612989999998,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.115574889999998 ] # c  points:  - symbol: Mg # 1    coordinates: [  0.330923923163852,  0.250000000000000,  0.944903671170537 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 2    coordinates: [  0.830923923163853,  0.250000000000000,  0.944903671170537 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 3    coordinates: [  0.330923923163852,  0.583333333333333,  0.944903671170537 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 4    coordinates: [  0.830923923163853,  0.583333333333333,  0.944903671170537 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 5    coordinates: [  0.330923923163852,  0.916666666666667,  0.944903671170537 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 6    coordinates: [  0.830923923163853,  0.916666666666667,  0.944903671170537 ]    mass: 24.305000    reduced_to: 1  - symbol: Mg # 7    coordinates: [  0.169076076836148,  0.083333333333333,  0.055096328829463 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 8    coordinates: [  0.669076076836147,  0.083333333333333,  0.055096328829463 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 9    coordinates: [  0.169076076836148,  0.416666666666667,  0.055096328829463 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 10    coordinates: [  0.669076076836147,  0.416666666666667,  0.055096328829463 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 11    coordinates: [  0.169076076836148,  0.750000000000000,  0.055096328829463 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 12    coordinates: [  0.669076076836147,  0.750000000000000,  0.055096328829463 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 13    coordinates: [  0.080923923163852,  0.250000000000000,  0.555096328829463 ]    mass: 24.305000    reduced_to: 13  - symbol: Mg # 14    coordinates: [  0.580923923163853,  0.250000000000000,  0.555096328829463 ]    mass: 24.305000    reduced_to: 13  - symbol: Mg # 15    coordinates: [  0.080923923163852,  0.583333333333333,  0.555096328829463 ]    mass: 24.305000    reduced_to: 13  - symbol: Mg # 16    coordinates: [  0.580923923163853,  0.583333333333333,  0.555096328829463 ]    mass: 24.305000    reduced_to: 13  - symbol: Mg # 17    coordinates: [  0.080923923163852,  0.916666666666667,  0.555096328829463 ]    mass: 24.305000    reduced_to: 13  - symbol: Mg # 18    coordinates: [  0.580923923163853,  0.916666666666667,  0.555096328829463 ]    mass: 24.305000    reduced_to: 13  - symbol: Mg # 19    coordinates: [  0.419076076836148,  0.083333333333333,  0.444903671170537 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 20    coordinates: [  0.919076076836147,  0.083333333333333,  0.444903671170537 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 21    coordinates: [  0.419076076836148,  0.416666666666667,  0.444903671170537 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 22    coordinates: [  0.919076076836147,  0.416666666666667,  0.444903671170537 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 23    coordinates: [  0.419076076836148,  0.750000000000000,  0.444903671170537 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 24    coordinates: [  0.919076076836147,  0.750000000000000,  0.444903671170537 ]    mass: 24.305000    reduced_to: 19  - symbol: Br # 25    coordinates: [  0.488164288214562,  0.083333333333333,  0.602318360254787 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 26    coordinates: [  0.988164288214562,  0.083333333333333,  0.602318360254787 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 27    coordinates: [  0.488164288214562,  0.416666666666667,  0.602318360254787 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 28    coordinates: [  0.988164288214562,  0.416666666666667,  0.602318360254787 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 29    coordinates: [  0.488164288214562,  0.750000000000000,  0.602318360254787 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 30    coordinates: [  0.988164288214562,  0.750000000000000,  0.602318360254787 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 31    coordinates: [  0.011835711785438,  0.250000000000000,  0.397681639745213 ]    mass: 79.904000    reduced_to: 31  - symbol: Br # 32    coordinates: [  0.511835711785438,  0.250000000000000,  0.397681639745213 ]    mass: 79.904000    reduced_to: 31  - symbol: Br # 33    coordinates: [  0.011835711785438,  0.583333333333333,  0.397681639745213 ]    mass: 79.904000    reduced_to: 31  - symbol: Br # 34    coordinates: [  0.511835711785438,  0.583333333333333,  0.397681639745213 ]    mass: 79.904000    reduced_to: 31  - symbol: Br # 35    coordinates: [  0.011835711785438,  0.916666666666667,  0.397681639745213 ]    mass: 79.904000    reduced_to: 31  - symbol: Br # 36    coordinates: [  0.511835711785438,  0.916666666666667,  0.397681639745213 ]    mass: 79.904000    reduced_to: 31  - symbol: Br # 37    coordinates: [  0.238164288214563,  0.083333333333333,  0.897681639745213 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 38    coordinates: [  0.738164288214562,  0.083333333333333,  0.897681639745213 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 39    coordinates: [  0.238164288214563,  0.416666666666667,  0.897681639745213 ]    mass: 79.904000    reduced_to: 37  - 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symbol: Br # 80    coordinates: [  0.637452674003671,  0.250000000000000,  0.712209340642906 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 81    coordinates: [  0.137452674003671,  0.583333333333333,  0.712209340642906 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 82    coordinates: [  0.637452674003671,  0.583333333333333,  0.712209340642906 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 83    coordinates: [  0.137452674003671,  0.916666666666667,  0.712209340642906 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 84    coordinates: [  0.637452674003671,  0.916666666666667,  0.712209340642906 ]    mass: 79.904000    reduced_to: 79  - symbol: Br # 85    coordinates: [  0.112547325996329,  0.083333333333333,  0.212209340642906 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 86    coordinates: [  0.612547325996329,  0.083333333333333,  0.212209340642906 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 87    coordinates: [  0.112547325996329,  0.416666666666667,  0.212209340642906 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 88    coordinates: [  0.612547325996329,  0.416666666666667,  0.212209340642906 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 89    coordinates: [  0.112547325996329,  0.750000000000000,  0.212209340642906 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 90    coordinates: [  0.612547325996329,  0.750000000000000,  0.212209340642906 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 91    coordinates: [  0.387452674003671,  0.250000000000000,  0.787790659357094 ]    mass: 79.904000    reduced_to: 91  - symbol: Br # 92    coordinates: [  0.887452674003671,  0.250000000000000,  0.787790659357094 ]    mass: 79.904000    reduced_to: 91  - symbol: Br # 93    coordinates: [  0.387452674003671,  0.583333333333333,  0.787790659357094 ]    mass: 79.904000    reduced_to: 91  - symbol: Br # 94    coordinates: [  0.887452674003671,  0.583333333333333,  0.787790659357094 ]    mass: 79.904000    reduced_to: 91  - symbol: Br # 95    coordinates: [  0.387452674003671,  0.916666666666667,  0.787790659357094 ]    mass: 79.904000    reduced_to: 91  - symbol: Br # 96    coordinates: [  0.887452674003671,  0.916666666666667,  0.787790659357094 ]    mass: 79.904000    reduced_to: 91  - symbol: In # 97    coordinates: [  0.483168404741957,  0.250000000000000,  0.175746895924915 ]    mass: 114.818000    reduced_to: 97  - symbol: In # 98    coordinates: [  0.983168404741958,  0.250000000000000,  0.175746895924915 ]    mass: 114.818000    reduced_to: 97  - symbol: In # 99    coordinates: [  0.483168404741957,  0.583333333333333,  0.175746895924915 ]    mass: 114.818000    reduced_to: 97  - symbol: In # 100    coordinates: [  0.983168404741958,  0.583333333333333,  0.175746895924915 ]    mass: 114.818000    reduced_to: 97  - symbol: In # 101    coordinates: [  0.483168404741957,  0.916666666666667,  0.175746895924915 ]    mass: 114.818000    reduced_to: 97  - symbol: In # 102    coordinates: [  0.983168404741958,  0.916666666666667,  0.175746895924915 ]    mass: 114.818000    reduced_to: 97  - symbol: In # 103    coordinates: [  0.016831595258042,  0.083333333333333,  0.824253104075085 ]    mass: 114.818000    reduced_to: 103  - symbol: In # 104    coordinates: [  0.516831595258042,  0.083333333333333,  0.824253104075085 ]    mass: 114.818000    reduced_to: 103  - symbol: In # 105    coordinates: [  0.016831595258042,  0.416666666666667,  0.824253104075085 ]    mass: 114.818000    reduced_to: 103  - symbol: In # 106    coordinates: [  0.516831595258042,  0.416666666666667,  0.824253104075085 ]    mass: 114.818000    reduced_to: 103  - symbol: In # 107    coordinates: [  0.016831595258042,  0.750000000000000,  0.824253104075085 ]    mass: 114.818000    reduced_to: 103  - symbol: In # 108    coordinates: [  0.516831595258042,  0.750000000000000,  0.824253104075085 ]    mass: 114.818000    reduced_to: 103  - symbol: In # 109    coordinates: [  0.233168404741957,  0.250000000000000,  0.324253104075085 ]    mass: 114.818000    reduced_to: 109  - symbol: In # 110    coordinates: [  0.733168404741958,  0.250000000000000,  0.324253104075085 ]    mass: 114.818000    reduced_to: 109  - symbol: In # 111    coordinates: [  0.233168404741957,  0.583333333333333,  0.324253104075085 ]    mass: 114.818000    reduced_to: 109  - symbol: In # 112    coordinates: [  0.733168404741958,  0.583333333333333,  0.324253104075085 ]    mass: 114.818000    reduced_to: 109  - symbol: In # 113    coordinates: [  0.233168404741957,  0.916666666666667,  0.324253104075085 ]    mass: 114.818000    reduced_to: 109  - symbol: In # 114    coordinates: [  0.733168404741958,  0.916666666666667,  0.324253104075085 ]    mass: 114.818000    reduced_to: 109  - symbol: In # 115    coordinates: [  0.266831595258043,  0.083333333333333,  0.675746895924915 ]    mass: 114.818000    reduced_to: 115  - symbol: In # 116    coordinates: [  0.766831595258042,  0.083333333333333,  0.675746895924915 ]    mass: 114.818000    reduced_to: 115  - symbol: In # 117    coordinates: [  0.266831595258043,  0.416666666666667,  0.675746895924915 ]    mass: 114.818000    reduced_to: 115  - symbol: In # 118    coordinates: [  0.766831595258042,  0.416666666666667,  0.675746895924915 ]    mass: 114.818000    reduced_to: 115  - symbol: In # 119    coordinates: [  0.266831595258043,  0.750000000000000,  0.675746895924915 ]    mass: 114.818000    reduced_to: 115  - symbol: In # 120    coordinates: [  0.766831595258042,  0.750000000000000,  0.675746895924915 ]    mass: 114.818000    reduced_to: 115nac:  born_effective_charge:  - # 1 (Mg)    - [  2.262780292000000,  0.000000000000000, -0.211576290000000 ]    - [  0.000000000000000,  2.420106860000001,  0.000000000000000 ]    - [ -0.113922750000000,  0.000000000000000,  2.109578840000001 ]  - # 2 (Mg)    - [  2.262780292000000,  0.000000000000000, -0.211576290000000 ]    - [  0.000000000000000,  2.420106860000001,  0.000000000000000 ]    - [ -0.113922750000000,  0.000000000000000,  2.109578840000001 ]  - # 3 (Mg)    - [  2.262780292000000,  0.000000000000000,  0.211576290000000 ]    - [  0.000000000000000,  2.420106860000001,  0.000000000000000 ]    - [  0.113922750000000,  0.000000000000000,  2.109578840000001 ]  - # 4 (Mg)    - [  2.262780292000000,  0.000000000000000,  0.211576290000000 ]    - [  0.000000000000000,  2.420106860000001,  0.000000000000000 ]    - [  0.113922750000000,  0.000000000000000,  2.109578840000001 ]  - # 5 (Br)    - [ -1.220365508000000,  0.000000000000000, -0.227644910000000 ]    - [  0.000000000000000, -1.166509010000000,  0.000000000000000 ]    - [ -0.158125540000000,  0.000000000000000, -1.507208220000000 ]  - # 6 (Br)    - [ -1.220365508000000,  0.000000000000000, -0.227644910000000 ]    - [  0.000000000000000, -1.166509010000000,  0.000000000000000 ]    - [ -0.158125540000000,  0.000000000000000, -1.507208220000000 ]  - # 7 (Br)    - [ -1.220365508000000,  0.000000000000000,  0.227644910000000 ]    - [  0.000000000000000, -1.166509010000000,  0.000000000000000 ]    - [  0.158125540000000,  0.000000000000000, -1.507208220000000 ]  - # 8 (Br)    - [ -1.220365508000000,  0.000000000000000,  0.227644910000000 ]    - [  0.000000000000000, -1.166509010000000,  0.000000000000000 ]    - [  0.158125540000000,  0.000000000000000, -1.507208220000000 ]  - # 9 (Br)    - [ -1.366067028000000,  0.000000000000000,  0.178721420000000 ]    - [  0.000000000000000, -1.574540730000000,  0.000000000000000 ]    - [  0.107901730000000,  0.000000000000000, -1.551376370000000 ]  - # 10 (Br)    - [ -1.366067028000000,  0.000000000000000,  0.178721420000000 ]    - [  0.000000000000000, -1.574540730000000,  0.000000000000000 ]    - [  0.107901730000000,  0.000000000000000, -1.551376370000000 ]  - # 11 (Br)    - [ -1.366067028000000,  0.000000000000000, -0.178721420000000 ]    - [  0.000000000000000, -1.574540730000000,  0.000000000000000 ]    - [ -0.107901730000000,  0.000000000000000, -1.551376370000000 ]  - # 12 (Br)    - [ -1.366067028000000,  0.000000000000000, -0.178721420000000 ]    - [  0.000000000000000, -1.574540730000000,  0.000000000000000 ]    - [ -0.107901730000000,  0.000000000000000, -1.551376370000000 ]  - # 13 (Br)    - [ -2.193439988000000,  0.000000000000000,  0.426240730000000 ]    - [  0.000000000000000, -1.604095600000000,  0.000000000000000 ]    - [  0.294124650000000,  0.000000000000000, -1.285600850000000 ]  - # 14 (Br)    - [ -2.193439988000000,  0.000000000000000,  0.426240730000000 ]    - [  0.000000000000000, -1.604095600000000,  0.000000000000000 ]    - [  0.294124650000000,  0.000000000000000, -1.285600850000000 ]  - # 15 (Br)    - [ -2.193439988000000,  0.000000000000000, -0.426240730000000 ]    - [  0.000000000000000, -1.604095600000000,  0.000000000000000 ]    - [ -0.294124650000000,  0.000000000000000, -1.285600850000000 ]  - # 16 (Br)    - [ -2.193439988000000,  0.000000000000000, -0.426240730000000 ]    - [  0.000000000000000, -1.604095600000000,  0.000000000000000 ]    - [ -0.294124650000000,  0.000000000000000, -1.285600850000000 ]  - # 17 (In)    - [  2.517092232000000,  0.000000000000000, -0.260272570000000 ]    - [  0.000000000000000,  1.925038480000000,  0.000000000000000 ]    - [ -0.220953410000000,  0.000000000000000,  2.234606600000000 ]  - # 18 (In)    - [  2.517092232000000,  0.000000000000000, -0.260272570000000 ]    - [  0.000000000000000,  1.925038480000000,  0.000000000000000 ]    - [ -0.220953410000000,  0.000000000000000,  2.234606600000000 ]  - # 19 (In)    - [  2.517092232000000,  0.000000000000000,  0.260272570000000 ]    - [  0.000000000000000,  1.925038480000000,  0.000000000000000 ]    - [  0.220953410000000,  0.000000000000000,  2.234606600000000 ]  - # 20 (In)    - [  2.517092232000000,  0.000000000000000,  0.260272570000000 ]    - [  0.000000000000000,  1.925038480000000,  0.000000000000000 ]    - [  0.220953410000000,  0.000000000000000,  2.234606600000000 ]  dielectric_constant:    - [  5.125903670000000,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000,  5.039262880000000,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000,  4.875538410000000 ]  unit_conversion_factor: 14.399652dataset:  displacements:  - # 1    - [   -0.0084918760040859,    0.0031746503650967,   -0.0042201465603248 ]    - [   -0.0012432557062029,    0.0041493436083962,   -0.0090131716320314 ]    - [    0.0030763502041331,    0.0021349466250323,    0.0092724361593809 ]    - [    0.0072958654174430,    0.0061754874740376,    0.0029383162301841 ]    - [    0.0057144036833307,    0.0060304416175851,   -0.0055659109264193 ]    - [   -0.0032967020322628,    0.0043877561314406,    0.0083593870493882 ]    - [   -0.0088984478876044,    0.0022553956325008,   -0.0039662092396248 ]    - [    0.0067150551859540,    0.0043529794438651,   -0.0059966327060176 ]    - [   -0.0083441516475046,   -0.0033701761426224,   -0.0043608538213457 ]    - [   -0.0075521524451735,    0.0045537922832377,   -0.0047146547366679 ]    - [    0.0022926655279969,    0.0093695789388061,    0.0026371718347914 ]    - [   -0.0000506376750173,    0.0099744579540742,   -0.0007124776124731 ]    - [   -0.0041499151729707,    0.0066786556544546,    0.0061784919443476 ]    - [    0.0058259757857036,   -0.0014165667907931,    0.0080032083986122 ]    - [    0.0075214969044464,    0.0052553856427391,    0.0039759283271324 ]    - [    0.0016956619276322,   -0.0063421168924271,    0.0075433602558787 ]    - [   -0.0068507567952138,    0.0072238072517601,    0.0009400745301569 ]    - [    0.0029948111785110,   -0.0079666499518407,    0.0052501042418129 ]    - [    0.0091392885714192,   -0.0024996618458997,    0.0031976702557454 ]    - [   -0.0047602320566739,    0.0086890292029913,    0.0013568206499677 ]    - [   -0.0080886648948928,    0.0057398836500499,   -0.0012756315698578 ]    - [   -0.0098175813031193,    0.0018727791252145,   -0.0003283225621294 ]    - [    0.0080261835252525,    0.0043755075261786,    0.0040540488289265 ]    - [   -0.0045747284929191,    0.0013277776053877,    0.0087925460389301 ]    - [    0.0097015034808242,    0.0014520982171486,   -0.0019422257796946 ]    - [    0.0082675598830230,   -0.0056120514871561,   -0.0003902969204821 ]    - [    0.0012448062423921,   -0.0007798830870691,   -0.0098915236333643 ]    - [    0.0040598874496505,    0.0019960930146174,    0.0089181234894548 ]    - [    0.0092954151989730,    0.0018740984300223,   -0.0031753757814297 ]    - [   -0.0054640908082613,   -0.0064341160049358,   -0.0053615168445229 ]    - [   -0.0080463431956446,    0.0055681216795218,    0.0020621304856733 ]    - [    0.0044507245997366,    0.0003734580155291,    0.0089471548353617 ]    - [    0.0090672561107676,   -0.0038318321533640,   -0.0017612293917016 ]    - [    0.0019391755367435,    0.0017072998999844,    0.0096604723119115 ]    - [   -0.0027818480407971,    0.0040601005878746,    0.0087049930898452 ]    - [    0.0046382480598462,   -0.0036843962127724,    0.0080567908923244 ]    - [   -0.0060254006638287,    0.0046586371142965,   -0.0064800962244115 ]    - [    0.0031490413194730,   -0.0093321697343265,    0.0017303603144927 ]    - [    0.0076025773448782,    0.0064386296819119,    0.0008630559277053 ]    - [   -0.0096136896206058,    0.0014585279514801,   -0.0023344524183216 ]    - [   -0.0038224622218167,   -0.0009979757344883,   -0.0091865568629469 ]    - [    0.0020958884167108,   -0.0092085774278791,   -0.0032877581266652 ]    - [    0.0018468080375162,    0.0048499650422401,    0.0085479318645866 ]    - [    0.0070077696035207,   -0.0048257324113302,    0.0052539006345960 ]    - [   -0.0016745291626008,    0.0056260269364826,    0.0080959108810295 ]    - [   -0.0065499915103052,   -0.0068269074709434,    0.0032389729233363 ]    - [   -0.0025673061228580,   -0.0090723482684641,    0.0033318817756985 ]    - [   -0.0023003714857586,    0.0000005968123185,   -0.0097318184668295 ]    - [   -0.0021432545919058,   -0.0017971772516834,   -0.0096008652568561 ]    - [   -0.0005159191891799,    0.0099705214157429,    0.0005679173253631 ]    - [   -0.0091236794616810,    0.0007715701874132,    0.0040203423394526 ]    - [    0.0090996741822220,   -0.0007630123755447,    0.0040759958160146 ]    - [   -0.0053147088862583,    0.0068041836623285,   -0.0050454884940538 ]    - [   -0.0088978376255307,    0.0032111648851264,   -0.0032429779015932 ]    - [    0.0059909834236811,   -0.0010573089794520,   -0.0079366375335622 ]    - [    0.0083472245015323,    0.0048288716960645,   -0.0026468549759980 ]    - [   -0.0014022100331660,    0.0098963110933709,   -0.0003111812431880 ]    - [   -0.0089461721433628,   -0.0044480619657493,   -0.0004251455399917 ]    - [   -0.0091282817361940,   -0.0011677798474670,   -0.0039128969795431 ]    - [   -0.0007922555270599,    0.0020412535613394,    0.0097573364745796 ]    - [    0.0009163238207418,    0.0052321583376145,    0.0084725952213989 ]    - [   -0.0035594344120339,    0.0027946518938850,    0.0089174182058729 ]    - [   -0.0083594952947489,    0.0028552103911926,   -0.0046868552398274 ]    - [   -0.0023762236642588,   -0.0081705072443763,   -0.0052532249587288 ]    - [    0.0053300245049632,    0.0003559659819031,    0.0084536457813312 ]    - [    0.0073863600752163,    0.0059030417051670,   -0.0032551165057967 ]    - [   -0.0049924304611984,   -0.0005583468962935,   -0.0086466112919165 ]    - [   -0.0013693070805188,    0.0063078844162510,   -0.0076377740415947 ]    - [    0.0061856739976688,    0.0075713827920036,   -0.0021003808729645 ]    - [    0.0073916208289237,   -0.0036342595275036,    0.0056706348152717 ]    - [    0.0083417025338454,    0.0036759620622007,    0.0041113625179615 ]    - [    0.0020986169016960,   -0.0053634668549236,   -0.0081749024701247 ]    - [   -0.0040381473503550,    0.0058944826949815,    0.0069963161546191 ]    - [    0.0091721748097026,    0.0036180811935983,   -0.0016675424242843 ]    - [    0.0046145016723885,   -0.0035464479308633,    0.0081319789343799 ]    - [   -0.0089690024765930,   -0.0003617187105128,   -0.0044075111059796 ]    - [    0.0094833618731249,   -0.0028366861532446,   -0.0014209360475936 ]    - [    0.0002643034797397,   -0.0099173433373610,   -0.0012555655297512 ]    - [    0.0039073447395711,   -0.0010174404581268,   -0.0091486322475173 ]    - [    0.0048096681457740,    0.0015641333856114,    0.0086267362936132 ]    - [    0.0047715436874860,   -0.0081942051092777,   -0.0031760625726676 ]    - [    0.0017493930474552,    0.0004022440852842,   -0.0098375720409748 ]    - [    0.0029119329763440,   -0.0003600028362742,    0.0095598663327033 ]    - [    0.0088723915504169,    0.0000518059790635,   -0.0046128065553005 ]    - [   -0.0013307323121968,    0.0035555101369294,    0.0092513512083083 ]    - [   -0.0057223504214961,    0.0077813715587627,    0.0025893941990516 ]    - [   -0.0080259016160149,   -0.0043839282583539,   -0.0040455007447355 ]    - [   -0.0066993093850337,    0.0058543235669038,   -0.0045657583529567 ]    - [    0.0021878289610402,   -0.0095999104157579,   -0.0017478914287384 ]    - [   -0.0016054371131947,   -0.0001152894319133,    0.0098696139753521 ]    - [    0.0072777185261498,    0.0055443470918183,    0.0040367100935764 ]    - [    0.0033745516274148,   -0.0094119455627481,   -0.0001663791987557 ]    - [   -0.0075299746545746,    0.0016265647351505,    0.0063760308079422 ]    - [   -0.0052284483861392,   -0.0014892422006263,   -0.0083931808714785 ]    - [    0.0083344887254050,    0.0055078793119639,    0.0004467249387913 ]    - [   -0.0049873840322663,    0.0072478686163574,    0.0047533568175256 ]    - [   -0.0071120139552183,   -0.0032270353922105,   -0.0062454383415578 ]    - [    0.0045266883039068,    0.0078103554073570,    0.0043020275928965 ]    - [   -0.0019622410005639,    0.0050840116735702,    0.0083846547668170 ]    - [   -0.0097223286348174,   -0.0012832783171532,    0.0019569166250341 ]    - [    0.0034752873361535,   -0.0047009224915717,   -0.0081131809827839 ]    - [    0.0099180769688918,    0.0012763402492831,   -0.0000520077609480 ]    - [   -0.0006681010150148,   -0.0048033813667671,   -0.0087453512496143 ]    - [    0.0006663323011158,   -0.0079665282117955,    0.0060075310665161 ]    - [    0.0058538797797244,    0.0074181234500787,   -0.0032716258960838 ]    - [   -0.0013347387366796,   -0.0001562716910007,   -0.0099092911786565 ]    - [    0.0003238807990218,   -0.0056509292561631,    0.0082439128919382 ]    - [   -0.0032093460136865,   -0.0063680461853420,    0.0070105695878285 ]    - [   -0.0071742389477177,   -0.0004365404825218,    0.0069526777523606 ]    - [    0.0054764075527006,    0.0078291237830777,    0.0029519114326096 ]    - [   -0.0036357371618204,   -0.0055888609844501,   -0.0074529221240161 ]    - [    0.0038114029542717,   -0.0017475447277663,   -0.0090785073081771 ]    - [   -0.0091895086169647,   -0.0009996166908971,   -0.0038149309102541 ]    - [   -0.0054721208812988,    0.0043194742784468,   -0.0071692422903882 ]    - [    0.0079101432786612,    0.0006173732597631,   -0.0060867465504308 ]    - [    0.0025477284002622,   -0.0096074224297341,    0.0010984144277729 ]    - [    0.0025722617251593,   -0.0049318679623187,   -0.0083102435595797 ]    - [    0.0002878552740195,   -0.0080165671265817,   -0.0059709120615053 ]    - [   -0.0076068262851444,    0.0049560978504002,    0.0041920505680269 ]    - [    0.0053951330123660,   -0.0014512584054414,   -0.0082937560139851 ]  - # 2    - [   -0.0013102126041581,    0.0072107987394370,    0.0068035082473118 ]    - [    0.0097970424077170,    0.0002796943108748,   -0.0019848756016082 ]    - [   -0.0097915579612197,    0.0007493063747472,    0.0018878380886181 ]    - [   -0.0008650913604883,    0.0073435284877485,   -0.0067323254739826 ]    - [    0.0074106321950512,    0.0056249754783964,   -0.0036663580481330 ]    - [   -0.0033327345482608,    0.0031709877426130,    0.0088790606016080 ]    - [   -0.0006086558077833,    0.0099295534101514,   -0.0010166155530001 ]    - [    0.0032860997552841,   -0.0071181839256709,   -0.0062074959523662 ]    - [   -0.0049959461965283,    0.0036837740965816,    0.0078403016527905 ]    - [    0.0092794005024671,   -0.0036734481940339,   -0.0006312722713404 ]    - [    0.0067096787637536,   -0.0052975361942317,   -0.0051880941739756 ]    - [    0.0024474291720811,    0.0034073301228150,    0.0090774551434752 ]    - [    0.0038743494601454,   -0.0045509722219868,   -0.0080173604194508 ]    - [   -0.0057293667682152,    0.0079948201028940,    0.0018047736582833 ]    - 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[    0.0080403208307985,    0.0052345487724055,    0.0028200602984929 ]    - [   -0.0021053338762950,   -0.0084604072549354,    0.0048978646724834 ]    - [   -0.0085203487903187,    0.0046215859434196,    0.0024585767954046 ]    - [   -0.0037278102874811,   -0.0053725861433706,   -0.0075656294247480 ]    - [   -0.0076689837930352,    0.0061890589103068,   -0.0016977153433118 ]    - [    0.0086796526224821,   -0.0029932836649862,   -0.0039628125433794 ]    - [   -0.0048298836876855,   -0.0072665943829748,   -0.0048855736241254 ]    - [   -0.0015960563879843,    0.0003661711430930,   -0.0098650150887031 ]    - [    0.0056105443725243,    0.0063045272104604,    0.0053642080959355 ]    - [   -0.0084452993667747,    0.0053504887249374,    0.0002217859550826 ]    - [    0.0037265767474208,    0.0003601679839103,    0.0092726967365998 ]    - [    0.0077264068464291,    0.0016761957393869,    0.0061231531980438 ]    - [   -0.0097219174081884,   -0.0019955759009848,    0.0012255605785808 ]    - [    0.0091027711528766,    0.0026514545020656,    0.0031795198319610 ]    - [   -0.0075705253516395,   -0.0030068395952234,   -0.0058005225237715 ]    - [    0.0084145598904154,    0.0045362866355284,    0.0029355213184269 ]    - [   -0.0069347318219732,   -0.0014813789067036,   -0.0070508872556641 ]    - [   -0.0034673974747428,    0.0086346516658326,   -0.0036633243593602 ]    - [   -0.0085004637790981,    0.0052668731972773,    0.0000465001510035 ]    - [    0.0074489368100885,    0.0003587560216900,    0.0066621794118899 ]    - [   -0.0006930736935983,    0.0086170705436689,    0.0050265041630020 ]    - [    0.0091937926202001,    0.0038244472710578,   -0.0009207498724698 ]    - [   -0.0091743697386026,   -0.0035144506778241,    0.0018653622523669 ]    - [    0.0091670489889876,    0.0030679285815756,   -0.0025598880936190 ]    - [   -0.0030471565896995,   -0.0056759130458884,   -0.0076484539492217 ]    - [    0.0030851071594909,   -0.0067080136583370,   -0.0067442320966899 ]    - [    0.0097155526864042,   -0.0023099788226119,    0.0005215686309469 ]    - [    0.0076923297388458,    0.0062411527394753,    0.0013696991171087 ]    - [   -0.0029810862135756,   -0.0074303385551813,   -0.0059919273979761 ]    - [   -0.0096790840460587,   -0.0002429666546438,   -0.0025012595295297 ]    - [    0.0065631322961132,   -0.0062052509113509,    0.0042918708730452 ]    - [   -0.0045832150557037,   -0.0080548929619150,   -0.0037567058875115 ]    - [   -0.0069763498237397,    0.0000246968433541,   -0.0071644911335513 ]    - [   -0.0033846319314795,   -0.0083136901088383,    0.0044075870340373 ]    - [    0.0075544192389274,   -0.0063650771164745,   -0.0015545234844981 ]    - [   -0.0097095497392741,   -0.0017547817280547,   -0.0016264639397931 ]    - [   -0.0099074453597737,   -0.0001957592761973,   -0.0013432068898277 ]    - [    0.0060118531886442,    0.0058642830003064,    0.0054284257506672 ]    - [   -0.0019451227679913,    0.0055711212054912,   -0.0080733577854055 ]    - [    0.0071950522582141,    0.0065602045711791,    0.0022792408792949 ]    - [    0.0053772324832226,   -0.0047241895560656,    0.0069833662269522 ]    - [   -0.0040761620244306,    0.0069444941145696,   -0.0059294944677686 ]    - [   -0.0006215331473194,   -0.0084131968109202,   -0.0053695266055311 ]    - [   -0.0099523238655947,    0.0003836115896543,    0.0008967116719425 ]    - [    0.0020619627757804,   -0.0020241356425758,   -0.0095734625090272 ]    - [   -0.0082185756525731,    0.0046787965879635,    0.0032502117979286 ]    - [    0.0029915844345737,    0.0008261031156750,   -0.0095062072464831 ]    - [   -0.0096501703890785,    0.0001044227647601,    0.0026197914703183 ]    - [    0.0015338043842700,   -0.0060226006525691,    0.0078342661105216 ]    - [    0.0076812792578765,   -0.0035507658554338,    0.0053282277355986 ]    - [    0.0083663778441006,   -0.0025434832776011,   -0.0048512281523658 ]    - [    0.0060098679450073,   -0.0008335813721978,    0.0079490017850984 ]    - [    0.0029723878139584,   -0.0035788232888786,   -0.0088519452410423 ]    - [   -0.0006034549348195,    0.0052907477731923,   -0.0084642678444212 ]  - # 3    - [   -0.0074408853154261,   -0.0060974617546218,    0.0027302354978281 ]    - [    0.0029452717626909,   -0.0085676416437868,    0.0042333073249583 ]    - [   -0.0030950383158883,    0.0055749009483032,    0.0077033250768608 ]    - [   -0.0011204348243879,    0.0068678881220827,   -0.0071816946848814 ]    - [   -0.0023546579574854,    0.0065164754932104,    0.0072104877123284 ]    - [   -0.0093896683192075,   -0.0034078193025062,   -0.0004699962305562 ]    - [    0.0068857884943777,    0.0005434895833399,   -0.0072312195294775 ]    - [    0.0000399242780732,   -0.0092507632658709,   -0.0037976025398708 ]    - [   -0.0077701980713638,   -0.0062204868188094,   -0.0009641398595596 ]    - [    0.0049267383008591,    0.0029867233985299,   -0.0081735385883668 ]    - [   -0.0025984866200500,   -0.0051320295699421,   -0.0081798618434948 ]    - 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[    0.0098995326259148,   -0.0012814717840767,   -0.0005975649379476 ]    - [   -0.0030348019766129,   -0.0044206778860420,   -0.0084408283948085 ]    - [    0.0082733117244483,   -0.0030818615426915,   -0.0046962157682315 ]    - [    0.0045786886527847,    0.0052070648082255,    0.0072056981829522 ]    - [   -0.0071568430188245,   -0.0058946654276300,    0.0037460002002411 ]    - [   -0.0047670633167854,   -0.0087805232086152,    0.0004213306501174 ]    - [    0.0033661854236208,   -0.0078549335652163,   -0.0051931507179978 ]    - [    0.0023223426109038,   -0.0092499069513871,    0.0030076479495216 ]    - [   -0.0044206072119814,    0.0070378107602493,    0.0055612455062061 ]    - [    0.0043736663738844,    0.0072141708796525,    0.0053690577356857 ]    - [   -0.0053628379596642,    0.0079739561171939,    0.0027669464865535 ]    - [    0.0053380597911156,    0.0074069343127407,   -0.0040795148918981 ]    - [   -0.0085365674139850,    0.0004446341655946,   -0.0051893465142806 ]    - 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[   -0.0013389296913156,   -0.0044520325369693,   -0.0088536248831470 ]    - [    0.0055188925251325,    0.0078456899625806,   -0.0028261235477416 ]    - [   -0.0070693020663289,    0.0068468252156911,   -0.0017736833879739 ]    - [    0.0029381896224465,   -0.0059727631163124,    0.0074627838303790 ]    - [   -0.0053078300092553,   -0.0039527714968210,    0.0074968352047226 ]    - [    0.0032860664643055,    0.0025164783552488,    0.0091032468866735 ]    - [   -0.0068715756075058,    0.0072522857653374,   -0.0004310450651793 ]    - [   -0.0012010390890564,   -0.0061403519078976,   -0.0078008706920277 ]    - [   -0.0001592925537265,    0.0025357052842384,    0.0096718573497448 ]    - [   -0.0013184414885897,   -0.0095171146724337,   -0.0027724069601905 ]    - [    0.0047512963914044,   -0.0030984279157841,   -0.0082355890531108 ]    - [    0.0093936532153224,    0.0031909160809152,   -0.0012559195176526 ]    - [    0.0010512004312095,    0.0025641928202005,   -0.0096083241428595 ]    - 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[   -0.0076568644902075,   -0.0049027017061642,    0.0041636452969693 ]  - # 7    - [    0.0009585995527950,   -0.0091016290039347,   -0.0040300665468595 ]    - [   -0.0041580410076199,    0.0087400794539518,    0.0025143003236606 ]    - [    0.0020322727278571,   -0.0090816353515637,    0.0036597495680492 ]    - [   -0.0053205679145173,    0.0018048941369372,    0.0082724793273516 ]    - [   -0.0057629257172446,   -0.0072744225596856,   -0.0037244413810206 ]    - [   -0.0091950216224539,    0.0021629688551382,    0.0032822466534842 ]    - [    0.0057347084721399,   -0.0075563732938104,   -0.0031645444196844 ]    - [   -0.0048566826452345,   -0.0008747812521237,   -0.0086975508877161 ]    - [    0.0083632975509182,   -0.0026301514221506,   -0.0048101515123086 ]    - [   -0.0077055535952553,    0.0054348556453829,   -0.0033296828534408 ]    - [   -0.0019742551828074,   -0.0093596692359847,   -0.0029152887105945 ]    - [    0.0068004574227910,   -0.0068441517188425,   -0.0026289477153932 ]    - 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[    0.0021835115438774,   -0.0088921832182233,   -0.0040201187732829 ]    - [   -0.0011172412738158,    0.0098319290654408,   -0.0014439330968656 ]    - [    0.0044811121915908,    0.0052261935775528,    0.0072530362067428 ]    - [    0.0015458758004196,    0.0098366175590919,   -0.0009226174753616 ]    - [    0.0024474686315217,    0.0094705850496769,   -0.0020779596036868 ]    - [   -0.0030660279849328,    0.0094924591846908,    0.0007019195271451 ]    - [    0.0045031741668439,   -0.0060795998718075,   -0.0065391045122239 ]  - # 9    - [    0.0070055210756460,    0.0034997452049344,    0.0062188791561839 ]    - [   -0.0029091706784155,   -0.0002249972465562,    0.0095648367577753 ]    - [   -0.0021492927198789,    0.0047485002964106,    0.0085341833668644 ]    - [    0.0056990019233901,   -0.0032773555324303,    0.0075352715804571 ]    - [    0.0063671929971306,    0.0071520559718330,   -0.0028821777726330 ]    - [    0.0051058158934342,   -0.0079365846440616,   -0.0033077587956198 ]    - 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[   -0.0003753621521645,   -0.0080455156670964,    0.0059269537627038 ]    - [    0.0023319605771169,   -0.0071920984667495,   -0.0065448972116720 ]    - [   -0.0059053916744421,   -0.0079272740770385,   -0.0015115141014703 ]    - [   -0.0099886943252802,   -0.0004581641053944,   -0.0001267727440868 ]    - [   -0.0027382989748144,    0.0038788460452329,    0.0088009245015459 ]    - [   -0.0060662274908258,   -0.0078999279011293,   -0.0008899568453067 ]    - [   -0.0096422172288388,    0.0022804903175071,    0.0013516696429379 ]    - [   -0.0041812637047838,    0.0077866840979594,   -0.0046780962569879 ]    - [    0.0028922317438474,    0.0095346451332895,   -0.0008517850210709 ]    - [    0.0098126630158141,    0.0003527859719894,    0.0018939869577276 ]    - [    0.0009105668098847,   -0.0015631392581921,    0.0098350121374727 ]    - [   -0.0027258671088363,   -0.0048335614602075,    0.0083190343258915 ]    - [    0.0019865296505145,   -0.0097783878327901,    0.0006609321744096 ]    - 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[   -0.0080511445816747,    0.0003410358824006,   -0.0059213820558958 ]    - [    0.0083774171540031,    0.0024229752991713,   -0.0048936767902489 ]    - [    0.0079556755232634,   -0.0047187563535108,    0.0038000743998964 ]    - [   -0.0086967648843487,    0.0039229293887083,   -0.0029961484538601 ]    - [   -0.0010911904764432,    0.0064464349340887,    0.0075665566795393 ]    - [    0.0085409668526450,   -0.0004351732187792,   -0.0051829055067286 ]    - [   -0.0089036579758314,    0.0029751157141270,   -0.0034458034095067 ]    - [   -0.0059567392223018,   -0.0059574401692892,   -0.0053875935691950 ]    - [    0.0027811438617007,   -0.0094088161595179,   -0.0019337573004180 ]    - [   -0.0065428997926942,    0.0075168422422806,   -0.0008291833376453 ]    - [   -0.0011207911781731,   -0.0093851152342085,    0.0032654921796808 ]    - [    0.0082238237337282,   -0.0056725472091205,   -0.0004369569279320 ]    - [    0.0040857225805523,   -0.0078639818869290,    0.0046329968569833 ]    - 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[    0.0021602778391225,   -0.0050835069608813,   -0.0083361355936950 ]    - [   -0.0079177214871969,    0.0050674262263654,   -0.0034104072911494 ]    - [    0.0040873631788604,    0.0085557399017924,    0.0031769131207782 ]    - [    0.0022669726406737,    0.0046602135509411,    0.0085523823994289 ]    - [   -0.0080949886884099,   -0.0026513572676297,    0.0052384599620406 ]    - [   -0.0063902292365310,    0.0059428222622872,    0.0048834243992765 ]    - [   -0.0026106367534551,    0.0047749078928348,    0.0083895667561832 ]    - [   -0.0025917311641982,    0.0082288959675650,   -0.0050565008382790 ]    - [    0.0035995206232334,    0.0087537199874649,    0.0032273576907395 ]    - [    0.0066695999903546,    0.0073391106046900,   -0.0012860371304086 ]  - # 10    - [    0.0015153887499965,    0.0095341870249664,    0.0026082321041937 ]    - [    0.0074943491077032,   -0.0032887411699053,   -0.0057462085734194 ]    - [    0.0092509959149030,    0.0021504103817620,   -0.0031296660800249 ]    - 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[   -0.0037443447110805,   -0.0015860769177083,    0.0091358766790996 ]    - [    0.0059575220119244,   -0.0038758551508538,    0.0070346057691271 ]    - [   -0.0003654249655066,   -0.0098379956646659,   -0.0017550800256966 ]    - [    0.0029708004410786,    0.0088723892669064,    0.0035291717775947 ]    - [   -0.0072877180560159,   -0.0044092655833331,    0.0052390402319178 ]    - [    0.0005643306714450,    0.0086735570608994,   -0.0049447890556210 ]    - [   -0.0090060863816131,    0.0039377692582785,   -0.0018396688167926 ]    - [   -0.0038637921094951,   -0.0025138963317589,    0.0088742005706302 ]    - [   -0.0044113041103254,    0.0028756214207154,   -0.0085012468197876 ]    - [   -0.0059863742399692,    0.0000856397149483,    0.0080097433977785 ]    - [    0.0002026528982854,    0.0009492705004884,    0.0099527793766223 ]    - [   -0.0098703117987227,    0.0015225046063743,   -0.0005088464597152 ]    - [    0.0069193383733976,    0.0070978823034840,    0.0013201603237169 ]    - 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[    0.0094941882200342,   -0.0000923721830871,   -0.0031387668633327 ]    - [    0.0058350920605279,   -0.0045322743780561,    0.0067387083040580 ]    - [   -0.0027589232957983,    0.0036981248428814,    0.0088719904696953 ]    - [    0.0018913419683755,    0.0050387704597449,   -0.0084281443872696 ]    - [   -0.0010600868892566,    0.0077922712660426,    0.0061771129424379 ]    - [    0.0060909682671975,   -0.0070808091022382,   -0.0035724288692225 ]    - [   -0.0055122001051367,    0.0074617449191084,    0.0037333648044480 ]    - [    0.0045840044056870,    0.0088741716926937,   -0.0004857781152303 ]    - [    0.0013055089354909,    0.0091368398686573,    0.0038488704360978 ]    - [   -0.0032604404240100,    0.0027672921722760,    0.0090394481178190 ]    - [    0.0084290599983431,   -0.0045689480222937,   -0.0028417708412028 ]    - [    0.0062868161453030,    0.0039202664567416,    0.0067162082802207 ]    - [    0.0024945004103494,   -0.0036805910717481,   -0.0089571601004635 ]    - [    0.0035311299174108,    0.0061166336422080,    0.0070794007086317 ]    - [   -0.0019189209625244,    0.0096463076072601,   -0.0018073438758851 ]    - [   -0.0054996829655780,   -0.0053267141218671,   -0.0064326980297564 ]    - [    0.0090246536598839,    0.0027152723660261,   -0.0033440876629418 ]    - [    0.0079180813619379,    0.0041333465625517,   -0.0044966024662598 ]    - [   -0.0098169407916542,    0.0012948450773983,    0.0013967998133928 ]    - [    0.0079548355676896,    0.0060541396007630,    0.0002607389220897 ]    - [   -0.0041805171044256,    0.0084397295011859,    0.0033606908049414 ]    - [    0.0009209418345709,   -0.0088162332327576,   -0.0046288116966407 ]    - [    0.0016839106721469,   -0.0058400628192161,   -0.0079409137456491 ]    - [    0.0062069832664004,   -0.0056576605618599,    0.0054280968761989 ]    - [   -0.0023649857966154,    0.0097081685163262,   -0.0003978771675024 ]    - [    0.0010891866482673,   -0.0070898120972892,    0.0069676564833786 ]  - # 11    - [    0.0045187740314239,    0.0070027146424964,    0.0055265422181229 ]    - [    0.0095467145768806,    0.0004865002754501,    0.0029365895643692 ]    - [   -0.0066037563595787,   -0.0051948545093991,   -0.0054225352529513 ]    - [   -0.0017903722779799,   -0.0097280845169349,    0.0014693327525150 ]    - [    0.0021790405880936,    0.0029284184139149,    0.0093100025622169 ]    - [   -0.0051742354246324,   -0.0036736173878113,    0.0077286365588278 ]    - [    0.0074727846650668,    0.0060110060073340,   -0.0028328953615228 ]    - [    0.0097859062530713,    0.0017771358330104,   -0.0010381844908932 ]    - [   -0.0019317682912763,   -0.0024720549856038,   -0.0094951153451114 ]    - [    0.0065311809725919,   -0.0011250542196394,   -0.0074885197540051 ]    - [    0.0054840434126172,    0.0003332463534655,    0.0083554900943291 ]    - [    0.0084537411095532,   -0.0050328319785713,    0.0017902132633070 ]    - [   -0.0015269917417034,    0.0097515473629251,   -0.0016048739045169 ]    - 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[    0.0068502938059249,    0.0061695612663118,   -0.0038742726483473 ]    - [    0.0026198957368646,    0.0070905147118528,    0.0065468120065386 ]    - [    0.0075768436266815,   -0.0040592821126280,   -0.0051101535580562 ]    - [   -0.0061862724245482,   -0.0050928052856869,    0.0059827558709473 ]    - [   -0.0068811853351112,   -0.0071911183609843,   -0.0009680418907084 ]    - [   -0.0067836487835870,    0.0049376978458015,    0.0054407030027842 ]    - [    0.0031503515974729,    0.0094791343679653,   -0.0004704215623876 ]    - [    0.0077908573739435,    0.0057208557208651,   -0.0025640497654912 ]    - [   -0.0076265330253013,   -0.0061909946660908,    0.0018728531865642 ]    - [    0.0033758114930850,   -0.0079865377762905,   -0.0049818782713993 ]    - [   -0.0001338462130916,   -0.0099186634192916,   -0.0012657808522996 ]    - [    0.0010364406651089,    0.0090283095678597,    0.0041731782965268 ]    - [    0.0059954688606436,   -0.0079642250834060,    0.0007908678536265 ]    - 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[    0.0094188075592855,   -0.0023763899183986,   -0.0023746231526034 ]  - # 20    - [   -0.0008848925696951,    0.0096518787614922,    0.0024613414053222 ]    - [    0.0009767738396146,    0.0084002799560419,   -0.0053367789467397 ]    - [   -0.0016090766789692,    0.0038199539981219,   -0.0091004848054062 ]    - [    0.0018663181834227,    0.0055946844902936,    0.0080756647956867 ]    - [   -0.0063539439069263,   -0.0036537728818527,    0.0068027450750026 ]    - [   -0.0054251775240206,    0.0072580779293206,   -0.0042293916353031 ]    - [   -0.0050524311144156,    0.0018240913130028,   -0.0084347869395684 ]    - [   -0.0035724192421319,    0.0054033070358785,   -0.0076185362002468 ]    - [    0.0036969757720444,   -0.0065424225147462,   -0.0065976569916493 ]    - [   -0.0016872976745052,   -0.0097532128190488,   -0.0014240316934507 ]    - [   -0.0062110967559075,   -0.0016459890239232,    0.0076624406830904 ]    - [    0.0084512721975408,   -0.0010513799690171,    0.0052412401589532 ]    - 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[    0.0082347697434405,   -0.0046318863163919,   -0.0339799010687588 ]    - [    0.0243298613496898,   -0.0164326126533921,   -0.0457724705157241 ]    - [    0.0114156695972509,    0.0129254807340489,   -0.0012795359069513 ]    - [    0.0056401554574110,   -0.0188871002508008,    0.0096408736092741 ]    - [   -0.0194457015757013,    0.0117529806839112,    0.0180220483862435 ]    - [    0.0197857285604729,    0.0152566652300739,   -0.0361028952781393 ]    - [   -0.0062423203194906,   -0.0188450006235828,   -0.0120187552366556 ]    - [    0.0065545852449211,    0.0183278723890449,   -0.0120844873301386 ]    - [    0.0149229902327523,    0.0095260165557934,   -0.0189754690215920 ]    - [    0.0117182298888112,    0.0017997202948508,    0.0297812322711420 ]    - [   -0.0099892609424744,   -0.0078721564078741,   -0.0015215919094299 ]    - [    0.0124179747316174,   -0.0223263024728715,   -0.0010847811763194 ]    - [    0.0043841332778308,    0.0089344080846791,    0.0147269420652432 ]    - 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[    0.0142493469059482,    0.0085038442157619,    0.0038720108645084 ]    - [   -0.0183487540603278,    0.0024916671907130,    0.0047366295737665 ]    - [    0.0195950525267453,   -0.0053861575787599,    0.0029077376913497 ]    - [    0.0034971531711379,    0.0020487712146618,    0.0099658627559249 ]    - [   -0.0049737164035129,   -0.0026969489869182,   -0.0087047505923888 ]    - [   -0.0042596712737907,    0.0116227494986907,   -0.0042384155667370 ]    - [    0.0085039739125492,    0.0048575360070226,   -0.0017373804717130 ]    - [   -0.0008412961044656,    0.0032724327899800,    0.0095958265315598 ]    - [    0.0080658589604545,   -0.0038073053433511,   -0.0076801495758111 ]    - [   -0.0022060870458455,   -0.0028418155973757,    0.0038548684432997 ]  - # 2    - [    0.0154385143473262,   -0.0023466754272398,   -0.0714482585807662 ]    - [   -0.0291617470994869,    0.0167466095212589,   -0.0004939488492482 ]    - [    0.0537528398840169,    0.0249946771992944,   -0.0422029978836512 ]    - [   -0.0117597241558651,   -0.0009816019983664,    0.0025582925432201 ]    - [   -0.0322375004457368,   -0.0070523648562274,    0.0112259798684504 ]    - [    0.0152979386057091,   -0.0132570964095454,   -0.0360596723428432 ]    - [   -0.0148797871163736,   -0.0506697142877887,   -0.0094410158568199 ]    - [   -0.0003747341348888,    0.0315610151775137,    0.0459020677558161 ]    - [    0.0013455403276888,    0.0079083227427587,   -0.0251063722328961 ]    - [   -0.0229652836614769,    0.0206714436078364,   -0.0189327922396453 ]    - [   -0.0568403502988615,    0.0492313869007492,    0.0241948737950049 ]    - [    0.0106659280672926,   -0.0422113487741729,   -0.0682475254365247 ]    - [   -0.0050576303283169,    0.0011700102142537,    0.0367964849226273 ]    - [    0.0307279457846184,   -0.0352936248391988,    0.0202295065450965 ]    - [   -0.0495574082849930,    0.0166563428211926,   -0.0408779493725818 ]    - [    0.0647880993259062,   -0.0097577103287948,    0.0468357977338942 ]    - 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[    0.0280845149977742,   -0.0120858683253923,    0.0054803850080696 ]    - [    0.0365281604059724,    0.0121554908102217,    0.0325536653554283 ]    - [    0.0485385913226783,   -0.0154250422823144,    0.0191644896910756 ]    - [   -0.0274074031695724,    0.0050153568571157,    0.0102610658915189 ]    - [    0.0133441148987210,    0.0194026486980175,   -0.0064586817267882 ]    - [    0.0007383712956158,    0.0027644060368454,    0.0198893257260637 ]    - [   -0.0118965736173857,   -0.0192697175515356,   -0.0319703882725602 ]    - [    0.0117359406675103,   -0.0057664414938690,    0.0177135117638641 ]    - [   -0.0115312449153059,   -0.0063579492889007,   -0.0369813929559512 ]    - [   -0.0306806537479642,   -0.0052498837733075,   -0.0391580109143784 ]    - [    0.0240972444886354,    0.0022300952292297,   -0.0197914097624081 ]    - [   -0.0186127872404602,   -0.0034223136105097,   -0.0123815415392888 ]    - [    0.0435425307477353,    0.0033758640420867,    0.0597554706066826 ]    - [   -0.0256010565300495,   -0.0095823010661662,   -0.0395665973805928 ]    - [    0.0427553208832668,   -0.0020031427224161,    0.0620739284204289 ]    - [   -0.0003601569990792,   -0.0058884650005040,   -0.0024299166246019 ]    - [    0.0210115655659552,   -0.0013171870035269,   -0.0065417682148658 ]    - [   -0.0051537251618862,   -0.0055536625280282,   -0.0311860879743098 ]    - [    0.0181625621696511,   -0.0192260551974769,   -0.0023459465734009 ]    - [   -0.0224145602437450,    0.0021072286735204,   -0.0004456224785918 ]    - [    0.0310921721059478,    0.0065551853725960,   -0.0374433584963061 ]    - [   -0.0318534494664119,   -0.0099604834755888,    0.0290158466022775 ]    - [   -0.0048532744323787,    0.0163516876818268,    0.0433506792747996 ]    - [   -0.0142369001318315,    0.0153389794698908,    0.0169008344053995 ]    - [   -0.0224177308519885,    0.0036466942135310,    0.0175369909344460 ]    - [   -0.0096703094183646,   -0.0085297037494826,   -0.0191960166619856 ]    - [    0.0034413038648419,    0.0151579927336045,    0.0083712220964823 ]    - [    0.0154418961409939,    0.0030198009751091,    0.0273415628515349 ]    - [    0.0100538105050756,    0.0057642027799378,    0.0015013583184109 ]    - [   -0.0056473599203103,    0.0154964201630154,    0.0079016508156859 ]    - [    0.0164979239362259,   -0.0032354049037489,   -0.0002938955978063 ]    - [   -0.0109538823158259,    0.0104167466637377,    0.0063581000108962 ]    - [    0.0016360818077331,    0.0077493247777492,    0.0028733659429427 ]    - [    0.0070047717307500,   -0.0098020728569265,    0.0063910094730109 ]    - [    0.0117101919084775,   -0.0130940487097793,   -0.0092620454456702 ]    - [   -0.0041081233581494,    0.0012751953871498,   -0.0206019900129427 ]    - [    0.0056073083864663,   -0.0070223795786249,    0.0010392425312972 ]    - [    0.0020779650988409,   -0.0093019777473724,   -0.0043193549178174 ]    - [   -0.0048170418065197,    0.0197396458537004,   -0.0112050388790644 ]    - [    0.0159096842788261,   -0.0059980017083131,   -0.0000241848763352 ]    - [   -0.0074219145401944,    0.0070258465682791,    0.0092318429213400 ]    - [    0.0099598991065865,    0.0028720754252142,    0.0031032657264296 ]    - [   -0.0179646978916450,    0.0100221243466277,    0.0139284430113167 ]    - [    0.0210157892122487,   -0.0042787016124508,    0.0031040226657143 ]    - [   -0.0179855092983634,   -0.0119598734795291,    0.0109226780684530 ]    - [    0.0131092414178036,    0.0019341245430630,    0.0034289473945305 ]    - [   -0.0072483991602865,    0.0064602057731808,   -0.0011011603173373 ]    - [   -0.0055686826527366,    0.0024138049840077,   -0.0125279507142945 ]    - [   -0.0175361519825983,   -0.0065307892757351,    0.0133011700518574 ]    - [   -0.0043498864216381,    0.0066134091418956,   -0.0118882846698848 ]    - [   -0.0143029469000087,    0.0026223595217387,    0.0042679245293420 ]    - [    0.0028936390948441,   -0.0037916132851458,    0.0144645466508427 ]  - # 3    - [    0.0196374474918092,    0.0317946519931584,    0.0168012137490176 ]    - [    0.0160680550602966,    0.0323560867205435,   -0.0454777989941706 ]    - [    0.0066517400553075,   -0.0367060373203019,   -0.0316620036954929 ]    - [    0.0133185979243529,   -0.0372371516396745,    0.0466991966679348 ]    - [    0.0066826897831763,   -0.0390068205060706,   -0.0076894158462346 ]    - [    0.0472185084727479,   -0.0112024223776400,    0.0190925474000493 ]    - [   -0.0570283445236062,   -0.0111954368040852,    0.0635473829259065 ]    - [   -0.0004569140650819,    0.0195313843317833,    0.0380560095042932 ]    - [    0.0287993355650541,    0.0059941363233543,   -0.0071949438581582 ]    - [   -0.0058795793914966,   -0.0056989881248291,    0.0306351410610286 ]    - [   -0.0261479975994749,   -0.0023647061026760,    0.0306287699411500 ]    - [    0.0490331996088464,    0.0138235782445259,   -0.0018418923095179 ]    - [   -0.0059899703764014,    0.0089485695074109,    0.0411654532732470 ]    - 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[   -0.0122262480324071,   -0.0264466746841833,    0.0177828571697394 ]    - [    0.0341605989888858,    0.0080950833405608,   -0.0246815692989120 ]    - [   -0.0149671852930407,    0.0240756728709435,   -0.0163705463880821 ]    - [   -0.0176479674482779,    0.0020985004808861,   -0.0364215675186604 ]    - [    0.0083283990414504,   -0.0050859133096224,    0.0271550555450877 ]    - [    0.0200028895871670,   -0.0293489377492881,   -0.0188966746537264 ]    - [   -0.0270500736523374,    0.0163723504807642,   -0.0056835376210427 ]    - [   -0.0114446381031072,    0.0254142639150303,    0.0069156097822745 ]    - [   -0.0400615714785513,    0.0041184866988839,    0.0077800382166990 ]    - [    0.0156787179431047,   -0.0392663701639845,    0.0148207276953489 ]    - [   -0.0335267960915377,   -0.0190259292994422,    0.0181393684578957 ]    - [   -0.0204587855208665,   -0.0043412772723299,   -0.0070544887222742 ]    - [   -0.0161676533033098,   -0.0339624054233104,   -0.0089460846066307 ]    - 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[   -0.0082106040720724,    0.0121120797860899,    0.0085274876958800 ]    - [   -0.0041226964446703,    0.0081767899878167,   -0.0024494864801483 ]    - [   -0.0027713287292825,   -0.0171114006152359,   -0.0090765339653492 ]    - [   -0.0126656026641585,   -0.0170154240299221,   -0.0091192678216996 ]    - [    0.0109388506557552,   -0.0075891663016892,   -0.0016817840535984 ]    - [   -0.0050939275774627,   -0.0080850424417988,   -0.0019707601875369 ]  - # 5    - [   -0.0273875453024480,   -0.0293951367483309,   -0.0068780805761719 ]    - [   -0.0164179299626405,    0.0324586087097470,    0.0345286594429587 ]    - [   -0.0280486449920185,    0.0158031751581780,    0.0302848019486398 ]    - [   -0.0241171942554004,   -0.0401034840602013,   -0.0559436915455250 ]    - [   -0.0627204777418898,    0.0253218984827329,    0.0408875523344428 ]    - [   -0.0302215497644808,    0.0068918383679501,   -0.0510159848522577 ]    - [   -0.0190001642809019,   -0.0382450564508639,    0.0260419508670847 ]    - 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