# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/da13aeaf-0b14-4b1b-aceb-536349648e18/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 LaMg(BO2)5 / P2_1/c (14) / materials id 557758](https://mdr.nims.go.jp/datasets/ffc13e7a-5d7b-4da0-828c-d5dadf6a3ed6)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P2_1/c"  number: 14  Hall_symbol: "-P 2ybc"supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.775324950000000,     0.000000000000000,     0.024474950000000 ] # a  - [     0.000000000000000,     7.622670620000000,     0.000000000000000 ] # b  - [    -8.388894850000000,     0.000000000000000,     9.442363200000001 ] # c  points:  - symbol: La # 1    coordinates: [  0.051459930000000,  0.812525450000000,  0.234840710000000 ]    mass: 138.905470  - symbol: La # 2    coordinates: [  0.948540070000000,  0.312525450000000,  0.265159290000000 ]    mass: 138.905470  - symbol: La # 3    coordinates: [  0.948540070000000,  0.187474550000000,  0.765159290000000 ]    mass: 138.905470  - symbol: La # 4    coordinates: [  0.051459930000000,  0.687474550000000,  0.734840710000000 ]    mass: 138.905470  - symbol: Mg # 5    coordinates: [  0.514495540000000,  0.587834300000000,  0.122398740000000 ]    mass: 24.305000  - symbol: Mg # 6    coordinates: [  0.485504460000000,  0.087834300000000,  0.377601260000000 ]    mass: 24.305000  - symbol: Mg # 7    coordinates: [  0.485504460000000,  0.412165700000000,  0.877601260000000 ]    mass: 24.305000  - symbol: Mg # 8    coordinates: [  0.514495540000000,  0.912165700000000,  0.622398740000000 ]    mass: 24.305000  - symbol: B  # 9    coordinates: [  0.096430810000000,  0.329167250000000,  0.610783440000000 ]    mass: 10.811000  - symbol: B  # 10    coordinates: [  0.513809390000000,  0.186150010000000,  0.084606600000000 ]    mass: 10.811000  - symbol: B  # 11    coordinates: [  0.269487840000000,  0.532851120000000,  0.551755830000000 ]    mass: 10.811000  - symbol: B  # 12    coordinates: [  0.486190610000000,  0.686150010000000,  0.415393400000000 ]    mass: 10.811000  - symbol: B  # 13    coordinates: [  0.730512160000000,  0.032851120000000,  0.948244170000000 ]    mass: 10.811000  - symbol: B  # 14    coordinates: [  0.355428500000000,  0.083492410000000,  0.768531770000000 ]    mass: 10.811000  - symbol: B  # 15    coordinates: [  0.903569190000000,  0.829167250000000,  0.889216560000000 ]    mass: 10.811000  - symbol: B  # 16    coordinates: [  0.903569190000000,  0.670832750000000,  0.389216560000000 ]    mass: 10.811000  - symbol: B  # 17    coordinates: [  0.644571500000000,  0.916507590000000,  0.231468230000000 ]    mass: 10.811000  - symbol: B  # 18    coordinates: [  0.644571500000000,  0.583492410000000,  0.731468230000000 ]    mass: 10.811000  - symbol: B  # 19    coordinates: [  0.730512160000000,  0.467148880000000,  0.448244170000000 ]    mass: 10.811000  - symbol: B  # 20    coordinates: [  0.158407550000000,  0.094982850000000,  0.507849950000000 ]    mass: 10.811000  - symbol: B  # 21    coordinates: [  0.096430810000000,  0.170832750000000,  0.110783440000000 ]    mass: 10.811000  - symbol: B  # 22    coordinates: [  0.841592450000000,  0.905017150000000,  0.492150050000000 ]    mass: 10.811000  - symbol: B  # 23    coordinates: [  0.158407550000000,  0.405017150000000,  0.007849950000000 ]    mass: 10.811000  - symbol: B  # 24    coordinates: [  0.486190610000000,  0.813849990000000,  0.915393400000000 ]    mass: 10.811000  - symbol: B  # 25    coordinates: [  0.841592450000000,  0.594982850000000,  0.992150050000000 ]    mass: 10.811000  - symbol: B  # 26    coordinates: [  0.513809390000000,  0.313849990000000,  0.584606600000000 ]    mass: 10.811000  - symbol: B  # 27    coordinates: [  0.269487840000000,  0.967148880000000,  0.051755830000000 ]    mass: 10.811000  - symbol: B  # 28    coordinates: [  0.355428500000000,  0.416507590000000,  0.268531770000000 ]    mass: 10.811000  - symbol: O  # 29    coordinates: [  0.323984520000000,  0.579373140000000,  0.314365720000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.766848350000000,  0.522918300000000,  0.353983550000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.233151650000000,  0.477081700000000,  0.646016450000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.029827070000000,  0.221836010000000,  0.490695400000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.877972820000000,  0.962761480000000,  0.608425090000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.676015480000000,  0.079373140000000,  0.185634280000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.215152480000000,  0.221920220000000,  0.741663160000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.681548720000000,  0.627954760000000,  0.490356330000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.564061580000000,  0.348870510000000,  0.069363760000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.082974440000000,  0.895821140000000,  0.913617660000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.233151650000000,  0.022918300000000,  0.146016450000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.784847520000000,  0.721920220000000,  0.758336840000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.917025560000000,  0.104178860000000,  0.086382340000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.435938420000000,  0.651129490000000,  0.930636240000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.917025560000000,  0.395821140000000,  0.586382340000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.970172930000000,  0.778163990000000,  0.509304600000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.564061580000000,  0.151129490000000,  0.569363760000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.439197340000000,  0.654683550000000,  0.624555870000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.766848350000000,  0.977081700000000,  0.853983550000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.029827070000000,  0.278163990000000,  0.990695400000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.435938420000000,  0.848870510000000,  0.430636240000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.323042060000000,  0.463198170000000,  0.140378270000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.560802660000000,  0.154683550000000,  0.875444130000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.560802660000000,  0.345316450000000,  0.375444130000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.784847520000000,  0.778079780000000,  0.258336840000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.082974440000000,  0.604178860000000,  0.413617660000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.676957940000000,  0.963198170000000,  0.359621730000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.439197340000000,  0.845316450000000,  0.124555870000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.318451280000000,  0.127954760000000,  0.009643670000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.970172930000000,  0.721836010000000,  0.009304600000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.681548720000000,  0.872045240000000,  0.990356330000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.676957940000000,  0.536801830000000,  0.859621730000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.215152480000000,  0.278079780000000,  0.241663160000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.676015480000000,  0.420626860000000,  0.685634280000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.122027180000000,  0.462761480000000,  0.891574910000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.318451280000000,  0.372045240000000,  0.509643670000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.877972820000000,  0.537238520000000,  0.108425090000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.122027180000000,  0.037238520000000,  0.391574910000000 ]    mass: 15.999400  - symbol: O  # 67    coordinates: [  0.323042060000000,  0.036801830000000,  0.640378270000000 ]    mass: 15.999400  - symbol: O  # 68    coordinates: [  0.323984520000000,  0.920626860000000,  0.814365720000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.113674221394307,     0.000000000000000,     0.100991782484332 ] # a*  - [     0.000000000000000,     0.131187617811564,     0.000000000000000 ] # b*  - [    -0.000294647730233,     0.000000000000000,     0.105643916681079 ] # c*unit_cell:  lattice:  - [     8.775324950000000,     0.000000000000000,     0.024474950000000 ] # a  - [     0.000000000000000,     7.622670620000000,     0.000000000000000 ] # b  - [    -8.388894850000000,     0.000000000000000,     9.442363200000001 ] # c  points:  - symbol: La # 1    coordinates: [  0.051459930000000,  0.812525450000000,  0.234840710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 2    coordinates: [  0.948540070000000,  0.312525450000000,  0.265159290000000 ]    mass: 138.905470    reduced_to: 2  - symbol: La # 3    coordinates: [  0.948540070000000,  0.187474550000000,  0.765159290000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 4    coordinates: [  0.051459930000000,  0.687474550000000,  0.734840710000000 ]    mass: 138.905470    reduced_to: 4  - symbol: Mg # 5    coordinates: [  0.514495540000000,  0.587834300000000,  0.122398740000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 6    coordinates: [  0.485504460000000,  0.087834300000000,  0.377601260000000 ]    mass: 24.305000    reduced_to: 6  - symbol: Mg # 7    coordinates: [  0.485504460000000,  0.412165700000000,  0.877601260000000 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 8    coordinates: [  0.514495540000000,  0.912165700000000,  0.622398740000000 ]    mass: 24.305000    reduced_to: 8  - symbol: B  # 9    coordinates: [  0.096430810000000,  0.329167250000000,  0.610783440000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 10    coordinates: [  0.513809390000000,  0.186150010000000,  0.084606600000000 ]    mass: 10.811000    reduced_to: 10  - symbol: B  # 11    coordinates: [  0.269487840000000,  0.532851120000000,  0.551755830000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 12    coordinates: [  0.486190610000000,  0.686150010000000,  0.415393400000000 ]    mass: 10.811000    reduced_to: 12  - symbol: B  # 13    coordinates: [  0.730512160000000,  0.032851120000000,  0.948244170000000 ]    mass: 10.811000    reduced_to: 13  - symbol: B  # 14    coordinates: [  0.355428500000000,  0.083492410000000,  0.768531770000000 ]    mass: 10.811000    reduced_to: 14  - symbol: B  # 15    coordinates: [  0.903569190000000,  0.829167250000000,  0.889216560000000 ]    mass: 10.811000    reduced_to: 15  - symbol: B  # 16    coordinates: [  0.903569190000000,  0.670832750000000,  0.389216560000000 ]    mass: 10.811000    reduced_to: 16  - symbol: B  # 17    coordinates: [  0.644571500000000,  0.916507590000000,  0.231468230000000 ]    mass: 10.811000    reduced_to: 17  - symbol: B  # 18    coordinates: [  0.644571500000000,  0.583492410000000,  0.731468230000000 ]    mass: 10.811000    reduced_to: 18  - symbol: B  # 19    coordinates: [  0.730512160000000,  0.467148880000000,  0.448244170000000 ]    mass: 10.811000    reduced_to: 19  - symbol: B  # 20    coordinates: [  0.158407550000000,  0.094982850000000,  0.507849950000000 ]    mass: 10.811000    reduced_to: 20  - symbol: B  # 21    coordinates: [  0.096430810000000,  0.170832750000000,  0.110783440000000 ]    mass: 10.811000    reduced_to: 21  - symbol: B  # 22    coordinates: [  0.841592450000000,  0.905017150000000,  0.492150050000000 ]    mass: 10.811000    reduced_to: 22  - symbol: B  # 23    coordinates: [  0.158407550000000,  0.405017150000000,  0.007849950000000 ]    mass: 10.811000    reduced_to: 23  - symbol: B  # 24    coordinates: [  0.486190610000000,  0.813849990000000,  0.915393400000000 ]    mass: 10.811000    reduced_to: 24  - symbol: B  # 25    coordinates: [  0.841592450000000,  0.594982850000000,  0.992150050000000 ]    mass: 10.811000    reduced_to: 25  - symbol: B  # 26    coordinates: [  0.513809390000000,  0.313849990000000,  0.584606600000000 ]    mass: 10.811000    reduced_to: 26  - symbol: B  # 27    coordinates: [  0.269487840000000,  0.967148880000000,  0.051755830000000 ]    mass: 10.811000    reduced_to: 27  - symbol: B  # 28    coordinates: [  0.355428500000000,  0.416507590000000,  0.268531770000000 ]    mass: 10.811000    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.323984520000000,  0.579373140000000,  0.314365720000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.766848350000000,  0.522918300000000,  0.353983550000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.233151650000000,  0.477081700000000,  0.646016450000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.029827070000000,  0.221836010000000,  0.490695400000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.877972820000000,  0.962761480000000,  0.608425090000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.676015480000000,  0.079373140000000,  0.185634280000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.215152480000000,  0.221920220000000,  0.741663160000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.681548720000000,  0.627954760000000,  0.490356330000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.564061580000000,  0.348870510000000,  0.069363760000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.082974440000000,  0.895821140000000,  0.913617660000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.233151650000000,  0.022918300000000,  0.146016450000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.784847520000000,  0.721920220000000,  0.758336840000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.917025560000000,  0.104178860000000,  0.086382340000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.435938420000000,  0.651129490000000,  0.930636240000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.917025560000000,  0.395821140000000,  0.586382340000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.970172930000000,  0.778163990000000,  0.509304600000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.564061580000000,  0.151129490000000,  0.569363760000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.439197340000000,  0.654683550000000,  0.624555870000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.766848350000000,  0.977081700000000,  0.853983550000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.029827070000000,  0.278163990000000,  0.990695400000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.435938420000000,  0.848870510000000,  0.430636240000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.323042060000000,  0.463198170000000,  0.140378270000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.560802660000000,  0.154683550000000,  0.875444130000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.560802660000000,  0.345316450000000,  0.375444130000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.784847520000000,  0.778079780000000,  0.258336840000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.082974440000000,  0.604178860000000,  0.413617660000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.676957940000000,  0.963198170000000,  0.359621730000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.439197340000000,  0.845316450000000,  0.124555870000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.318451280000000,  0.127954760000000,  0.009643670000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.970172930000000,  0.721836010000000,  0.009304600000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.681548720000000,  0.872045240000000,  0.990356330000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.676957940000000,  0.536801830000000,  0.859621730000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.215152480000000,  0.278079780000000,  0.241663160000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.676015480000000,  0.420626860000000,  0.685634280000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.122027180000000,  0.462761480000000,  0.891574910000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 64    coordinates: [  0.318451280000000,  0.372045240000000,  0.509643670000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.877972820000000,  0.537238520000000,  0.108425090000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.122027180000000,  0.037238520000000,  0.391574910000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 67    coordinates: [  0.323042060000000,  0.036801830000000,  0.640378270000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 68    coordinates: [  0.323984520000000,  0.920626860000000,  0.814365720000000 ]    mass: 15.999400    reduced_to: 68supercell:  lattice:  - [     8.775324950000000,     0.000000000000000,     0.024474950000000 ] # a  - [     0.000000000000000,    15.245341240000000,     0.000000000000000 ] # b  - [    -8.388894850000000,     0.000000000000000,     9.442363200000001 ] # c  points:  - symbol: La # 1    coordinates: [  0.051459930000000,  0.406262725000000,  0.234840710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 2    coordinates: [  0.051459930000000,  0.906262725000000,  0.234840710000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 3    coordinates: [  0.948540070000000,  0.156262725000000,  0.265159290000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 4    coordinates: [  0.948540070000000,  0.656262725000000,  0.265159290000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 5    coordinates: [  0.948540070000000,  0.093737275000000,  0.765159290000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 6    coordinates: [  0.948540070000000,  0.593737275000000,  0.765159290000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 7    coordinates: [  0.051459930000000,  0.343737275000000,  0.734840710000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 8    coordinates: [  0.051459930000000,  0.843737275000000,  0.734840710000000 ]    mass: 138.905470    reduced_to: 7  - symbol: Mg # 9    coordinates: [  0.514495540000000,  0.293917150000000,  0.122398740000000 ]    mass: 24.305000    reduced_to: 9  - symbol: Mg # 10    coordinates: [  0.514495540000000,  0.793917150000000,  0.122398740000000 ]    mass: 24.305000    reduced_to: 9  - symbol: Mg # 11    coordinates: [  0.485504460000000,  0.043917150000000,  0.377601260000000 ]    mass: 24.305000    reduced_to: 11  - symbol: Mg # 12    coordinates: [  0.485504460000000,  0.543917150000000,  0.377601260000000 ]    mass: 24.305000    reduced_to: 11  - symbol: Mg # 13    coordinates: [  0.485504460000000,  0.206082850000000,  0.877601260000000 ]    mass: 24.305000    reduced_to: 13  - 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