# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1f2b0d5b-84a4-45bb-b726-f27dbf03821c/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

[Ab-initio phonon calculation for ErBO3 / Ama2 (40) / materials id 760405](https://mdr.nims.go.jp/datasets/ed446159-e94f-4474-8208-37c558c34ab5)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Ama2"  number: 40  Hall_symbol: "A 2 -2a"primitive_matrix:- [  1.000000000000000,  0.000000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.500000000000000, -0.500000000000000 ]- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     8.398948440000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     3.170145155000000,     2.132100295000000 ] # b  - [     0.000000000000000,    -3.170145155000000,     2.132100295000000 ] # c  points:  - symbol: Er # 1    coordinates: [  0.000000000000000,  0.067505750000000,  0.067505750000000 ]    mass: 167.259000  - symbol: Er # 2    coordinates: [  0.500000000000000,  0.067505750000000,  0.067505750000000 ]    mass: 167.259000  - symbol: B  # 3    coordinates: [  0.750000000000000,  0.492113280000000,  0.766198120000000 ]    mass: 10.811000  - symbol: B  # 4    coordinates: [  0.250000000000000,  0.766198120000000,  0.492113280000000 ]    mass: 10.811000  - symbol: O  # 5    coordinates: [  0.898388510000000,  0.323716060000000,  0.665134780000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.601611490000000,  0.323716060000000,  0.665134780000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.750000000000000,  0.864141740000000,  0.006051580000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.398388510000000,  0.665134780000000,  0.323716060000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.101611490000000,  0.665134780000000,  0.323716060000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.250000000000000,  0.006051580000000,  0.864141740000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.119062523974727,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.157721484523001,     0.234510543979827 ] # b*  - [     0.000000000000000,    -0.157721484523001,     0.234510543979827 ] # c*unit_cell:  lattice:  - [     8.398948440000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.340290310000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.264200590000000 ] # c  points:  - symbol: Er # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.067505750000000 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.067505750000000 ]    mass: 167.259000    reduced_to: 2  - symbol: Er # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.567505750000000 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.567505750000000 ]    mass: 167.259000    reduced_to: 2  - symbol: B  # 5    coordinates: [  0.750000000000000,  0.862957580000000,  0.629155700000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.250000000000000,  0.137042420000000,  0.629155700000000 ]    mass: 10.811000    reduced_to: 6  - symbol: B  # 7    coordinates: [  0.750000000000000,  0.362957580000000,  0.129155700000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 8    coordinates: [  0.250000000000000,  0.637042420000000,  0.129155700000000 ]    mass: 10.811000    reduced_to: 6  - symbol: O  # 9    coordinates: [  0.898388510000000,  0.829290640000000,  0.494425420000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.601611490000000,  0.829290640000000,  0.494425420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.750000000000000,  0.929045080000000,  0.935096660000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.398388510000000,  0.170709360000000,  0.494425420000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.101611490000000,  0.170709360000000,  0.494425420000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.250000000000000,  0.070954920000000,  0.935096660000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.898388510000000,  0.329290640000000,  0.994425420000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 16    coordinates: [  0.601611490000000,  0.329290640000000,  0.994425420000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 17    coordinates: [  0.750000000000000,  0.429045080000000,  0.435096660000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 18    coordinates: [  0.398388510000000,  0.670709360000000,  0.994425420000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 19    coordinates: [  0.101611490000000,  0.670709360000000,  0.994425420000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 20    coordinates: [  0.250000000000000,  0.570954920000000,  0.435096660000000 ]    mass: 15.999400    reduced_to: 14supercell:  lattice:  - [     8.398948440000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.680580620000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.792601769999999 ] # c  points:  - symbol: Er # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.022501916666667 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.022501916666667 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 3    coordinates: [  0.000000000000000,  0.000000000000000,  0.355835250000000 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 4    coordinates: [  0.000000000000000,  0.500000000000000,  0.355835250000000 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.689168583333333 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.689168583333333 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.022501916666667 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.022501916666667 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 9    coordinates: [  0.500000000000000,  0.000000000000000,  0.355835250000000 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.355835250000000 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.689168583333333 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.689168583333333 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 13    coordinates: [  0.000000000000000,  0.250000000000000,  0.189168583333333 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 14    coordinates: [  0.000000000000000,  0.750000000000000,  0.189168583333333 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 15    coordinates: [  0.000000000000000,  0.250000000000000,  0.522501916666667 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 16    coordinates: [  0.000000000000000,  0.750000000000000,  0.522501916666667 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 17    coordinates: [  0.000000000000000,  0.250000000000000,  0.855835250000000 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 18    coordinates: [  0.000000000000000,  0.750000000000000,  0.855835250000000 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 19    coordinates: [  0.500000000000000,  0.250000000000000,  0.189168583333333 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 20    coordinates: [  0.500000000000000,  0.750000000000000,  0.189168583333333 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 21    coordinates: [  0.500000000000000,  0.250000000000000,  0.522501916666667 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 22    coordinates: [  0.500000000000000,  0.750000000000000,  0.522501916666667 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 23    coordinates: [  0.500000000000000,  0.250000000000000,  0.855835250000000 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 24    coordinates: [  0.500000000000000,  0.750000000000000,  0.855835250000000 ]    mass: 167.259000    reduced_to: 7  - symbol: B  # 25    coordinates: [  0.750000000000000,  0.431478790000000,  0.209718566666667 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 26    coordinates: [  0.750000000000000,  0.931478790000000,  0.209718566666667 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 27    coordinates: [  0.750000000000000,  0.431478790000000,  0.543051900000000 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 28    coordinates: [  0.750000000000000,  0.931478790000000,  0.543051900000000 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 29    coordinates: [  0.750000000000000,  0.431478790000000,  0.876385233333333 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 30    coordinates: [  0.750000000000000,  0.931478790000000,  0.876385233333333 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 31    coordinates: [  0.250000000000000,  0.068521210000000,  0.209718566666667 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 32    coordinates: [  0.250000000000000,  0.568521210000000,  0.209718566666667 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 33    coordinates: [  0.250000000000000,  0.068521210000000,  0.543051900000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 34    coordinates: [  0.250000000000000,  0.568521210000000,  0.543051900000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 35    coordinates: [  0.250000000000000,  0.068521210000000,  0.876385233333333 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 36    coordinates: [  0.250000000000000,  0.568521210000000,  0.876385233333333 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 37    coordinates: [  0.750000000000000,  0.181478790000000,  0.043051900000000 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 38    coordinates: [  0.750000000000000,  0.681478790000000,  0.043051900000000 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 39    coordinates: [  0.750000000000000,  0.181478790000000,  0.376385233333333 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 40    coordinates: [  0.750000000000000,  0.681478790000000,  0.376385233333333 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 41    coordinates: [  0.750000000000000,  0.181478790000000,  0.709718566666667 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 42    coordinates: [  0.750000000000000,  0.681478790000000,  0.709718566666667 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 43    coordinates: [  0.250000000000000,  0.318521210000000,  0.043051900000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 44    coordinates: [  0.250000000000000,  0.818521210000000,  0.043051900000000 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 45    coordinates: [  0.250000000000000,  0.318521210000000,  0.376385233333333 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 46    coordinates: [  0.250000000000000,  0.818521210000000,  0.376385233333333 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 47    coordinates: [  0.250000000000000,  0.318521210000000,  0.709718566666667 ]    mass: 10.811000    reduced_to: 31  - symbol: B  # 48    coordinates: [  0.250000000000000,  0.818521210000000,  0.709718566666667 ]    mass: 10.811000    reduced_to: 31  - symbol: O  # 49    coordinates: [  0.898388510000000,  0.414645320000000,  0.164808473333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.898388510000000,  0.914645320000000,  0.164808473333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.898388510000000,  0.414645320000000,  0.498141806666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.898388510000000,  0.914645320000000,  0.498141806666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.898388510000000,  0.414645320000000,  0.831475140000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 54    coordinates: [  0.898388510000000,  0.914645320000000,  0.831475140000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 55    coordinates: [  0.601611490000000,  0.414645320000000,  0.164808473333333 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.601611490000000,  0.914645320000000,  0.164808473333333 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 57    coordinates: [  0.601611490000000,  0.414645320000000,  0.498141806666667 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 58    coordinates: [  0.601611490000000,  0.914645320000000,  0.498141806666667 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 59    coordinates: [  0.601611490000000,  0.414645320000000,  0.831475140000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 60    coordinates: [  0.601611490000000,  0.914645320000000,  0.831475140000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 61    coordinates: [  0.750000000000000,  0.464522540000000,  0.311698886666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.750000000000000,  0.964522540000000,  0.311698886666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.750000000000000,  0.464522540000000,  0.645032220000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.750000000000000,  0.964522540000000,  0.645032220000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 65    coordinates: [  0.750000000000000,  0.464522540000000,  0.978365553333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 66    coordinates: [  0.750000000000000,  0.964522540000000,  0.978365553333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 67    coordinates: [  0.398388510000000,  0.085354680000000,  0.164808473333333 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 68    coordinates: [  0.398388510000000,  0.585354680000000,  0.164808473333333 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 69    coordinates: [  0.398388510000000,  0.085354680000000,  0.498141806666667 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 70    coordinates: [  0.398388510000000,  0.585354680000000,  0.498141806666667 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 71    coordinates: [  0.398388510000000,  0.085354680000000,  0.831475140000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 72    coordinates: [  0.398388510000000,  0.585354680000000,  0.831475140000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 73    coordinates: [  0.101611490000000,  0.085354680000000,  0.164808473333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.101611490000000,  0.585354680000000,  0.164808473333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 75    coordinates: [  0.101611490000000,  0.085354680000000,  0.498141806666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 76    coordinates: [  0.101611490000000,  0.585354680000000,  0.498141806666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 77    coordinates: [  0.101611490000000,  0.085354680000000,  0.831475140000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 78    coordinates: [  0.101611490000000,  0.585354680000000,  0.831475140000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 79    coordinates: [  0.250000000000000,  0.035477460000000,  0.311698886666667 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 80    coordinates: [  0.250000000000000,  0.535477460000000,  0.311698886666667 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 81    coordinates: [  0.250000000000000,  0.035477460000000,  0.645032220000000 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 82    coordinates: [  0.250000000000000,  0.535477460000000,  0.645032220000000 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 83    coordinates: [  0.250000000000000,  0.035477460000000,  0.978365553333333 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 84    coordinates: [  0.250000000000000,  0.535477460000000,  0.978365553333333 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 85    coordinates: [  0.898388510000000,  0.164645320000000,  0.331475140000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 86    coordinates: [  0.898388510000000,  0.664645320000000,  0.331475140000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 87    coordinates: [  0.898388510000000,  0.164645320000000,  0.664808473333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 88    coordinates: [  0.898388510000000,  0.664645320000000,  0.664808473333333 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 89    coordinates: [  0.898388510000000,  0.164645320000000,  0.998141806666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 90    coordinates: [  0.898388510000000,  0.664645320000000,  0.998141806666667 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 91    coordinates: [  0.601611490000000,  0.164645320000000,  0.331475140000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 92    coordinates: [  0.601611490000000,  0.664645320000000,  0.331475140000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 93    coordinates: [  0.601611490000000,  0.164645320000000,  0.664808473333333 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 94    coordinates: [  0.601611490000000,  0.664645320000000,  0.664808473333333 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 95    coordinates: [  0.601611490000000,  0.164645320000000,  0.998141806666667 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 96    coordinates: [  0.601611490000000,  0.664645320000000,  0.998141806666667 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 97    coordinates: [  0.750000000000000,  0.214522540000000,  0.145032220000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 98    coordinates: [  0.750000000000000,  0.714522540000000,  0.145032220000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 99    coordinates: [  0.750000000000000,  0.214522540000000,  0.478365553333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 100    coordinates: [  0.750000000000000,  0.714522540000000,  0.478365553333333 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 101    coordinates: [  0.750000000000000,  0.214522540000000,  0.811698886666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 102    coordinates: [  0.750000000000000,  0.714522540000000,  0.811698886666667 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 103    coordinates: [  0.398388510000000,  0.335354680000000,  0.331475140000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 104    coordinates: [  0.398388510000000,  0.835354680000000,  0.331475140000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 105    coordinates: [  0.398388510000000,  0.335354680000000,  0.664808473333333 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 106    coordinates: [  0.398388510000000,  0.835354680000000,  0.664808473333333 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 107    coordinates: [  0.398388510000000,  0.335354680000000,  0.998141806666667 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 108    coordinates: [  0.398388510000000,  0.835354680000000,  0.998141806666667 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 109    coordinates: [  0.101611490000000,  0.335354680000000,  0.331475140000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 110    coordinates: [  0.101611490000000,  0.835354680000000,  0.331475140000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 111    coordinates: [  0.101611490000000,  0.335354680000000,  0.664808473333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 112    coordinates: [  0.101611490000000,  0.835354680000000,  0.664808473333333 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 113    coordinates: [  0.101611490000000,  0.335354680000000,  0.998141806666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 114    coordinates: [  0.101611490000000,  0.835354680000000,  0.998141806666667 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 115    coordinates: [  0.250000000000000,  0.285477460000000,  0.145032220000000 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 116    coordinates: [  0.250000000000000,  0.785477460000000,  0.145032220000000 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 117    coordinates: [  0.250000000000000,  0.285477460000000,  0.478365553333333 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 118    coordinates: [  0.250000000000000,  0.785477460000000,  0.478365553333333 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 119    coordinates: [  0.250000000000000,  0.285477460000000,  0.811698886666667 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 120    coordinates: [  0.250000000000000,  0.785477460000000,  0.811698886666667 ]    mass: 15.999400    reduced_to: 79born_effective_charge:- # 1 (Er)  - [  4.098345430000000,  0.157040110000000,  0.000000000000000 ]  - [  0.226823070000000,  3.918782970000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  3.531210160000000 ]- # 2 (Er)  - [  4.098345430000000, -0.157040110000000, -0.000000000000000 ]  - [ -0.226823070000000,  3.918782970000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  3.531210160000000 ]- # 3 (B)  - [  3.084673780000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.777151450000000,  0.856719590000000 ]  - [  0.000000000000000,  0.715705660000000,  2.415729710000000 ]- # 4 (B)  - [  3.084673780000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.777151450000000, -0.856719590000000 ]  - [  0.000000000000000, -0.715705660000000,  2.415729710000000 ]- # 5 (O)  - [ -2.322574030000000,  0.221902260000000,  0.569122510000000 ]  - [  0.231806870000000, -1.779805180000000,  0.065375190000000 ]  - [  0.534176900000000,  0.041789920000000, -1.922928730000000 ]- # 6 (O)  - [ -2.322574030000000, -0.221902260000000, -0.569122510000000 ]  - [ -0.231806870000000, -1.779805180000000,  0.065375190000000 ]  - [ -0.534176900000000,  0.041789920000000, -1.922928730000000 ]- # 7 (O)  - [ -2.537871160000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.136324060000000, -0.581211260000000 ]  - [  0.000000000000000, -0.466261890000000, -2.101082420000000 ]- # 8 (O)  - [ -2.322574030000000, -0.221902260000000,  0.569122510000000 ]  - [ -0.231806870000000, -1.779805180000000, -0.065375190000000 ]  - [  0.534176900000000, -0.041789920000000, -1.922928730000000 ]- # 9 (O)  - [ -2.322574030000000,  0.221902260000000, -0.569122510000000 ]  - [  0.231806870000000, -1.779805180000000, -0.065375190000000 ]  - [ -0.534176900000000, -0.041789920000000, -1.922928730000000 ]- # 10 (O)  - [ -2.537871160000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.136324060000000,  0.581211260000000 ]  - [  0.000000000000000,  0.466261890000000, -2.101082420000000 ]dielectric_constant:  - [  3.733558510000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.266979020000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.433136670000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1880105400000000,  0.0016879700000000,  0.0006990500000000 ]  - [  -0.0009698200000000, -0.0000068500000000,  0.0001027700000000 ]  - [  -0.0069699100000000, -0.0047530700000000,  0.0000542900000000 ]  - [  -0.0003846000000000,  0.0005465200000000,  0.0000914600000000 ]  - [  -0.0069716700000000, -0.0054910800000000,  0.0000830400000000 ]  - [  -0.0003823400000000,  0.0004849700000000,  0.0000941700000000 ]  - [   0.0438480300000000, -0.0071179700000000,  0.0001181600000000 ]  - [   0.0011342000000000,  0.0005141500000000,  0.0000986100000000 ]  - [   0.0052363700000000, -0.0021450000000000,  0.0000953500000000 ]  - [   0.0003622000000000,  0.0003377500000000,  0.0000955400000000 ]  - [   0.0052383300000000, -0.0039561100000000,  0.0000618400000000 ]  - [   0.0003595500000000,  0.0006077900000000,  0.0000934800000000 ]  - [  -0.0093226300000000,  0.0044612100000000, -0.0026338600000000 ]  - [  -0.0093519800000000,  0.0045759900000000,  0.0027922400000000 ]  - [  -0.0004199500000000,  0.0001444600000000,  0.0000527200000000 ]  - [  -0.0004247300000000,  0.0001471700000000,  0.0001217000000000 ]  - [  -0.0093569000000000,  0.0024182700000000,  0.0042532200000000 ]  - [  -0.0093240100000000,  0.0024308400000000, -0.0040078000000000 ]  - [   0.0059446600000000,  0.0012698600000000, -0.0007161900000000 ]  - [   0.0059507000000000,  0.0012586700000000,  0.0009281700000000 ]  - [   0.0004645800000000,  0.0000911000000000, -0.0000733500000000 ]  - [   0.0004697300000000,  0.0000868800000000,  0.0002445900000000 ]  - [   0.0059571200000000,  0.0027868100000000,  0.0011839700000000 ]  - [   0.0059444600000000,  0.0027284800000000, -0.0010080900000000 ]  - [  -0.0002658700000000, -0.0008567000000000, -0.0001501300000000 ]  - [   0.0127816600000000,  0.0009103700000000, -0.0126197900000000 ]  - [  -0.0000080300000000, -0.0002912700000000,  0.0000986600000000 ]  - [  -0.0000619300000000, -0.0000264500000000,  0.0004548900000000 ]  - [   0.0001599500000000, -0.0005567700000000,  0.0005847400000000 ]  - [   0.0095053100000000,  0.0122020400000000,  0.0347636500000000 ]  - [   0.0125975500000000,  0.0017068600000000,  0.0126121200000000 ]  - [  -0.0002739400000000, -0.0001238400000000,  0.0000670900000000 ]  - [  -0.0000646000000000,  0.0007154000000000, -0.0005639500000000 ]  - [  -0.0000114700000000,  0.0004446900000000, -0.0001919800000000 ]  - [   0.0095641500000000,  0.0130998900000000, -0.0352423100000000 ]  - [   0.0001533900000000,  0.0001763200000000, -0.0006604300000000 ]  - [   0.0135388600000000, -0.0123909200000000, -0.0040943400000000 ]  - [  -0.0003312700000000,  0.0021177700000000,  0.0014036900000000 ]  - [  -0.0004647700000000, -0.0008737100000000, -0.0006507000000000 ]  - [   0.0001937300000000, -0.0000337800000000, -0.0002476700000000 ]  - [  -0.0001125100000000,  0.0000717800000000,  0.0022375900000000 ]  - [  -0.0000696200000000,  0.0001991700000000,  0.0012915200000000 ]  - [  -0.0003505600000000,  0.0028565900000000, -0.0014681000000000 ]  - [   0.0134318500000000, -0.0117877100000000,  0.0040159100000000 ]  - [   0.0001886100000000,  0.0007005600000000,  0.0001531700000000 ]  - [  -0.0004801600000000, -0.0001320300000000,  0.0005519700000000 ]  - [  -0.0000702100000000,  0.0009381000000000, -0.0013853800000000 ]  - [  -0.0001124100000000,  0.0008036900000000, -0.0023298700000000 ]  - [   0.0011844300000000, -0.0006615500000000,  0.0003330700000000 ]  - [   0.0120781000000000, -0.0016487600000000,  0.0007327700000000 ]  - [   0.0004084000000000, -0.0003580700000000, -0.0000006500000000 ]  - [   0.0010044900000000, -0.0000820000000000, -0.0000607300000000 ]  - [   0.0006654000000000, -0.0004779700000000, -0.0000285400000000 ]  - [   0.0117437300000000, -0.0058651200000000, -0.0143237800000000 ]  - [  -0.0008449100000000,  0.0001152000000000,  0.0001563100000000 ]  - [  -0.0073022200000000, -0.0015722200000000,  0.0017244500000000 ]  - [  -0.0003643200000000, -0.0003406000000000,  0.0000275800000000 ]  - [  -0.0009374600000000, -0.0002187400000000,  0.0000341700000000 ]  - [  -0.0008028800000000, -0.0006283200000000,  0.0000172400000000 ]  - [  -0.0129050700000000, -0.0036876100000000, -0.0110342400000000 ]  - [   0.0000370800000000, -0.0001889200000000, -0.0000359000000000 ]  - [  -0.0026245800000000,  0.0021948400000000,  0.0056757500000000 ]  - [   0.0000029100000000, -0.0002519600000000, -0.0001932100000000 ]  - [  -0.0000779000000000,  0.0003632200000000, -0.0015025500000000 ]  - [  -0.0000496900000000,  0.0001021500000000, -0.0003487100000000 ]  - [   0.0392720400000000,  0.0060610700000000,  0.0002479800000000 ]  - [  -0.0067039300000000, -0.0011891900000000, -0.0017602700000000 ]  - [  -0.0002821200000000,  0.0005214400000000, -0.0001267700000000 ]  - [  -0.0004112300000000,  0.0001869100000000,  0.0000259400000000 ]  - [   0.0001524100000000,  0.0000513300000000,  0.0000329900000000 ]  - [  -0.0123683300000000, -0.0033149600000000,  0.0110999000000000 ]  - [  -0.0002703700000000, -0.0002214200000000,  0.0000260500000000 ]  - [   0.0118830400000000, -0.0010016900000000, -0.0002488800000000 ]  - [   0.0006608500000000, -0.0002690700000000, -0.0002872200000000 ]  - [   0.0005145800000000,  0.0003199000000000,  0.0001489300000000 ]  - [  -0.0001577300000000,  0.0000470200000000,  0.0000318800000000 ]  - [   0.0113668700000000, -0.0054980800000000,  0.0144554500000000 ]  - [   0.0001545100000000, -0.0000800500000000,  0.0000835600000000 ]  - [  -0.0025624500000000,  0.0024457700000000, -0.0058143000000000 ]  - [   0.0000403500000000,  0.0000982700000000, -0.0001549700000000 ]  - [  -0.0000748400000000,  0.0006410600000000,  0.0013397800000000 ]  - [   0.0000031900000000,  0.0000303700000000,  0.0000122500000000 ]  - [   0.0422443200000000,  0.0070192100000000, -0.0011767700000000 ]  - [  -0.0000470300000000,  0.0003853100000000,  0.0001502700000000 ]  - [   0.0021320200000000, -0.0002368100000000, -0.0004997600000000 ]  - [   0.0004695300000000, -0.0005195200000000,  0.0002012300000000 ]  - [   0.0015498800000000, -0.0004624300000000, -0.0000085100000000 ]  - [   0.0008175900000000, -0.0004757000000000, -0.0002069700000000 ]  - [   0.0118678500000000, -0.0043088400000000,  0.0001092500000000 ]  - [   0.0025362600000000, -0.0001432100000000, -0.0003758400000000 ]  - [  -0.0010554000000000,  0.0000044100000000,  0.0002804100000000 ]  - [  -0.0006779900000000, -0.0003652400000000,  0.0000193000000000 ]  - [  -0.0013186600000000, -0.0004437600000000, -0.0001677100000000 ]  - [  -0.0007706200000000, -0.0004832600000000, -0.0003628600000000 ]  - [  -0.0076534000000000,  0.0019852700000000, -0.0011501100000000 ]  - [  -0.0013785100000000, -0.0007818700000000, -0.0001602700000000 ]  - [  -0.0024901200000000,  0.0035576800000000,  0.0044770800000000 ]  - [  -0.0006127500000000, -0.0023193400000000, -0.0003143900000000 ]  - [   0.0001493800000000, -0.0000942600000000, -0.0001288600000000 ]  - [  -0.0000444600000000, -0.0002426400000000, -0.0000625300000000 ]  - [  -0.0005645000000000,  0.0009320600000000, -0.0022782400000000 ]  - [   0.0002850600000000, -0.0017767200000000, -0.0010333400000000 ]  - [  -0.0001064000000000,  0.0000467900000000,  0.0000022000000000 ]  - [  -0.0004788300000000,  0.0004021700000000, -0.0002552500000000 ]  - [  -0.0002271900000000, -0.0000782900000000,  0.0004113900000000 ]  - [  -0.0007507100000000, -0.0000358000000000,  0.0002050100000000 ]  - [  -0.0008146700000000, -0.0003876600000000,  0.0001804000000000 ]  - [  -0.0070717200000000,  0.0024431100000000,  0.0011866100000000 ]  - [  -0.0000363400000000, -0.0001118700000000, -0.0001293100000000 ]  - [   0.0015953000000000,  0.0001543300000000,  0.0005514600000000 ]  - [   0.0003127400000000, -0.0000726600000000,  0.0002745200000000 ]  - [   0.0010253800000000, -0.0000573300000000,  0.0000654300000000 ]  - [   0.0019872900000000,  0.0002683600000000,  0.0003995100000000 ]  - [   0.0114238400000000, -0.0041884900000000, -0.0001211800000000 ]  - [  -0.0005946500000000, -0.0020219300000000,  0.0001050300000000 ]  - [  -0.0024516000000000,  0.0038616900000000, -0.0046765000000000 ]  - [  -0.0000421300000000,  0.0000454100000000, -0.0001288900000000 ]  - [   0.0001540400000000,  0.0001784000000000, -0.0000419800000000 ]  - [   0.0002974900000000, -0.0014970600000000,  0.0008386000000000 ]  - [  -0.0005511700000000,  0.0012193800000000,  0.0020808300000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0017166800000000, -0.1359334500000000, -0.0001082700000000 ]  - [  -0.0000091700000000,  0.0115623100000000,  0.0000921100000000 ]  - [  -0.0054914500000000, -0.0103915000000000,  0.0000733500000000 ]  - [   0.0004838100000000,  0.0050127500000000,  0.0000959300000000 ]  - [  -0.0047537800000000, -0.0103919600000000,  0.0001104000000000 ]  - [   0.0005439400000000,  0.0050127500000000,  0.0000866800000000 ]  - [   0.0071151700000000, -0.0174513500000000,  0.0000851000000000 ]  - [  -0.0005129300000000,  0.0077681000000000,  0.0000892300000000 ]  - [   0.0039524400000000, -0.0062510100000000,  0.0000836300000000 ]  - [  -0.0006074500000000,  0.0042280200000000,  0.0000945000000000 ]  - [   0.0021454100000000, -0.0062507000000000,  0.0000991200000000 ]  - [  -0.0003403500000000,  0.0042271500000000,  0.0000896100000000 ]  - [   0.0024420400000000,  0.0161595000000000,  0.0153528600000000 ]  - [   0.0024080300000000,  0.0161023700000000, -0.0150243700000000 ]  - [   0.0001451200000000,  0.0004024600000000,  0.0000499400000000 ]  - [   0.0001452800000000,  0.0004164100000000,  0.0001340500000000 ]  - [   0.0045285600000000,  0.0161717200000000, -0.0168452500000000 ]  - [   0.0045046600000000,  0.0160895000000000,  0.0168750000000000 ]  - [  -0.0027714400000000,  0.0029271900000000,  0.0039498800000000 ]  - [  -0.0027471200000000,  0.0029526900000000, -0.0037562100000000 ]  - [  -0.0000902900000000,  0.0003667900000000, -0.0000079200000000 ]  - [  -0.0000884600000000,  0.0003799000000000,  0.0001895800000000 ]  - [  -0.0012701700000000,  0.0029261600000000, -0.0031591400000000 ]  - [  -0.0012577900000000,  0.0029532900000000,  0.0033277800000000 ]  - [  -0.0007634700000000,  0.0015823000000000,  0.0022260800000000 ]  - [   0.0129236800000000, -0.0040304000000000, -0.0087724400000000 ]  - [  -0.0000383000000000,  0.0001245600000000,  0.0004631600000000 ]  - [  -0.0000903500000000, -0.0005409800000000, -0.0003239700000000 ]  - [  -0.0010170300000000,  0.0010903400000000,  0.0010426800000000 ]  - [   0.0107343600000000, -0.0013943100000000,  0.0050642400000000 ]  - [   0.0129093200000000, -0.0032941800000000,  0.0086834000000000 ]  - [  -0.0007408900000000,  0.0023148600000000, -0.0023108800000000 ]  - [  -0.0000786800000000,  0.0001899700000000,  0.0002436900000000 ]  - [  -0.0000619000000000,  0.0008595300000000, -0.0005522500000000 ]  - [   0.0107173000000000, -0.0007284000000000, -0.0050560900000000 ]  - [  -0.0009995200000000,  0.0018248500000000, -0.0011273100000000 ]  - [  -0.0316487400000000,  0.0073934900000000,  0.0105271000000000 ]  - [   0.0036469500000000,  0.0014315900000000,  0.0006787000000000 ]  - [  -0.0011452300000000, -0.0006426100000000,  0.0013726900000000 ]  - [   0.0007552500000000, -0.0002895200000000, -0.0008366000000000 ]  - [  -0.0004853400000000, -0.0021254900000000, -0.0039897800000000 ]  - [   0.0004556600000000,  0.0008516700000000,  0.0028905000000000 ]  - [   0.0036854700000000,  0.0021702800000000, -0.0007566700000000 ]  - [  -0.0314254500000000,  0.0080014500000000, -0.0106058100000000 ]  - [   0.0007775700000000,  0.0004391800000000,  0.0007531300000000 ]  - [  -0.0011400300000000,  0.0000980700000000, -0.0014653400000000 ]  - [   0.0004743300000000,  0.0015834300000000, -0.0029737700000000 ]  - [  -0.0004685600000000, -0.0013809400000000,  0.0038807500000000 ]  - [   0.0010017300000000, -0.0048584800000000, -0.0002952600000000 ]  - 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