# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/133a5d18-44e9-427a-8ddf-8fde7153f430/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 Er2GeO5 / C2/c (15) / materials id 774547](https://mdr.nims.go.jp/datasets/e2a0e0f2-ec0c-40b8-8976-13fabb758bde)

## 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: "C2/c"  number: 15  Hall_symbol: "-C 2yc"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.637154505000000,    -5.536140670000000,    -0.016010275000000 ] # a  - [     5.637154505000000,     5.536140670000000,    -0.016010275000000 ] # b  - [    -0.920264690000000,     0.000000000000000,    11.083485580000000 ] # c  points:  - symbol: Er # 1    coordinates: [  0.701773690000000,  0.994924490000000,  0.063452920000000 ]    mass: 167.259000  - symbol: Er # 2    coordinates: [  0.361435070000000,  0.999204610000000,  0.248430510000000 ]    mass: 167.259000  - symbol: Er # 3    coordinates: [  0.994924490000000,  0.701773690000000,  0.563452920000000 ]    mass: 167.259000  - symbol: Er # 4    coordinates: [  0.374583420000000,  0.654889240000000,  0.430048340000000 ]    mass: 167.259000  - symbol: Er # 5    coordinates: [  0.345110760000000,  0.625416580000000,  0.069951660000000 ]    mass: 167.259000  - symbol: Er # 6    coordinates: [  0.000795390000000,  0.638564930000000,  0.251569490000000 ]    mass: 167.259000  - symbol: Er # 7    coordinates: [  0.999204610000000,  0.361435070000000,  0.748430510000000 ]    mass: 167.259000  - symbol: Er # 8    coordinates: [  0.654889240000000,  0.374583420000000,  0.930048340000000 ]    mass: 167.259000  - symbol: Er # 9    coordinates: [  0.625416580000000,  0.345110760000000,  0.569951660000000 ]    mass: 167.259000  - symbol: Er # 10    coordinates: [  0.005075510000000,  0.298226310000000,  0.436547080000000 ]    mass: 167.259000  - symbol: Er # 11    coordinates: [  0.638564930000000,  0.000795390000000,  0.751569490000000 ]    mass: 167.259000  - symbol: Er # 12    coordinates: [  0.298226310000000,  0.005075510000000,  0.936547080000000 ]    mass: 167.259000  - symbol: Ge # 13    coordinates: [  0.729076230000000,  0.937762710000000,  0.452980950000000 ]    mass: 72.640000  - symbol: Ge # 14    coordinates: [  0.937762710000000,  0.729076230000000,  0.952980950000000 ]    mass: 72.640000  - symbol: Ge # 15    coordinates: [  0.360184650000000,  0.639815350000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 16    coordinates: [  0.639815350000000,  0.360184650000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 17    coordinates: [  0.062237290000000,  0.270923770000000,  0.047019050000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.270923770000000,  0.062237290000000,  0.547019050000000 ]    mass: 72.640000  - symbol: O  # 19    coordinates: [  0.456981290000000,  0.875853710000000,  0.076147210000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.527550760000000,  0.877743940000000,  0.393056490000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.811821080000000,  0.887340920000000,  0.884608160000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.405320110000000,  0.856543790000000,  0.781543380000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.887340920000000,  0.811821080000000,  0.384608160000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.230552830000000,  0.845091990000000,  0.545216730000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.771742610000000,  0.869910830000000,  0.602571280000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.263275220000000,  0.736724780000000,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.154908010000000,  0.769447170000000,  0.954783270000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.869910830000000,  0.771742610000000,  0.102571280000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.143456210000000,  0.594679890000000,  0.718456620000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.461938270000000,  0.562889070000000,  0.618533320000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.124146290000000,  0.543018710000000,  0.423852790000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.877743940000000,  0.527550760000000,  0.893056490000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.437110930000000,  0.538061730000000,  0.881466680000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.562889070000000,  0.461938270000000,  0.118533320000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.122256060000000,  0.472449240000000,  0.106943510000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.875853710000000,  0.456981290000000,  0.576147210000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.538061730000000,  0.437110930000000,  0.381466680000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.856543790000000,  0.405320110000000,  0.281543380000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.130089170000000,  0.228257390000000,  0.897428720000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.845091990000000,  0.230552830000000,  0.045216730000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.736724780000000,  0.263275220000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.228257390000000,  0.130089170000000,  0.397428720000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.769447170000000,  0.154908010000000,  0.454783270000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.112659080000000,  0.188178920000000,  0.615391840000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.594679890000000,  0.143456210000000,  0.218456620000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.188178920000000,  0.112659080000000,  0.115391840000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.472449240000000,  0.122256060000000,  0.606943510000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.543018710000000,  0.124146290000000,  0.923852790000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.088718153087024,    -0.090315624151219,     0.007366291322229 ] # a*  - [     0.088718153087024,     0.090315624151219,     0.007366291322229 ] # b*  - [     0.000256309627177,     0.000000000000000,     0.090245605994608 ] # c*unit_cell:  lattice:  - [    11.274309010000000,     0.000000000000000,    -0.032020550000000 ] # a  - [     0.000000000000000,    11.072281340000000,     0.000000000000000 ] # b  - [    -0.920264690000000,     0.000000000000000,    11.083485580000000 ] # c  points:  - symbol: Er # 1    coordinates: [  0.348349090000000,  0.646575400000000,  0.063452920000000 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 2    coordinates: [  0.680319840000000,  0.318884770000000,  0.248430510000000 ]    mass: 167.259000    reduced_to: 2  - symbol: Er # 3    coordinates: [  0.348349090000000,  0.353424600000000,  0.563452920000000 ]    mass: 167.259000    reduced_to: 3  - symbol: Er # 4    coordinates: [  0.014736330000000,  0.640152910000000,  0.430048340000000 ]    mass: 167.259000    reduced_to: 4  - symbol: Er # 5    coordinates: [  0.985263670000000,  0.640152910000000,  0.069951660000000 ]    mass: 167.259000    reduced_to: 5  - symbol: Er # 6    coordinates: [  0.319680160000000,  0.318884770000000,  0.251569490000000 ]    mass: 167.259000    reduced_to: 6  - symbol: Er # 7    coordinates: [  0.680319840000000,  0.681115230000000,  0.748430510000000 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 8    coordinates: [  0.014736330000000,  0.359847090000000,  0.930048340000000 ]    mass: 167.259000    reduced_to: 8  - symbol: Er # 9    coordinates: [  0.985263670000000,  0.359847090000000,  0.569951660000000 ]    mass: 167.259000    reduced_to: 9  - symbol: Er # 10    coordinates: [  0.651650910000000,  0.646575400000000,  0.436547080000000 ]    mass: 167.259000    reduced_to: 10  - symbol: Er # 11    coordinates: [  0.319680160000000,  0.681115230000000,  0.751569490000000 ]    mass: 167.259000    reduced_to: 11  - symbol: Er # 12    coordinates: [  0.651650910000000,  0.353424600000000,  0.936547080000000 ]    mass: 167.259000    reduced_to: 12  - symbol: Er # 13    coordinates: [  0.848349090000000,  0.146575400000000,  0.063452920000000 ]    mass: 167.259000    reduced_to: 1  - symbol: Er # 14    coordinates: [  0.180319840000000,  0.818884770000000,  0.248430510000000 ]    mass: 167.259000    reduced_to: 2  - symbol: Er # 15    coordinates: [  0.848349090000000,  0.853424600000000,  0.563452920000000 ]    mass: 167.259000    reduced_to: 3  - symbol: Er # 16    coordinates: [  0.514736330000000,  0.140152910000000,  0.430048340000000 ]    mass: 167.259000    reduced_to: 4  - symbol: Er # 17    coordinates: [  0.485263670000000,  0.140152910000000,  0.069951660000000 ]    mass: 167.259000    reduced_to: 5  - symbol: Er # 18    coordinates: [  0.819680160000000,  0.818884770000000,  0.251569490000000 ]    mass: 167.259000    reduced_to: 6  - symbol: Er # 19    coordinates: [  0.180319840000000,  0.181115230000000,  0.748430510000000 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 20    coordinates: [  0.514736330000000,  0.859847090000000,  0.930048340000000 ]    mass: 167.259000    reduced_to: 8  - symbol: Er # 21    coordinates: [  0.485263670000000,  0.859847090000000,  0.569951660000000 ]    mass: 167.259000    reduced_to: 9  - symbol: Er # 22    coordinates: [  0.151650910000000,  0.146575400000000,  0.436547080000000 ]    mass: 167.259000    reduced_to: 10  - symbol: Er # 23    coordinates: [  0.819680160000000,  0.181115230000000,  0.751569490000000 ]    mass: 167.259000    reduced_to: 11  - symbol: Er # 24    coordinates: [  0.151650910000000,  0.853424600000000,  0.936547080000000 ]    mass: 167.259000    reduced_to: 12  - symbol: Ge # 25    coordinates: [  0.333419470000000,  0.604343240000000,  0.452980950000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.333419470000000,  0.395656760000000,  0.952980950000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 27    coordinates: [  0.000000000000000,  0.639815350000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 28    coordinates: [  0.000000000000000,  0.360184650000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 29    coordinates: [  0.666580530000000,  0.604343240000000,  0.047019050000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 30    coordinates: [  0.666580530000000,  0.395656760000000,  0.547019050000000 ]    mass: 72.640000    reduced_to: 30  - symbol: Ge # 31    coordinates: [  0.833419470000000,  0.104343240000000,  0.452980950000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 32    coordinates: [  0.833419470000000,  0.895656760000000,  0.952980950000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 33    coordinates: [  0.500000000000000,  0.139815350000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 34    coordinates: [  0.500000000000000,  0.860184650000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 28  - symbol: Ge # 35    coordinates: [  0.166580530000000,  0.104343240000000,  0.047019050000000 ]    mass: 72.640000    reduced_to: 29  - symbol: Ge # 36    coordinates: [  0.166580530000000,  0.895656760000000,  0.547019050000000 ]    mass: 72.640000    reduced_to: 30  - symbol: O  # 37    coordinates: [  0.166417500000000,  0.709436210000000,  0.076147210000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.202647350000000,  0.675096590000000,  0.393056490000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.349581000000000,  0.537759920000000,  0.884608160000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.130931950000000,  0.725611840000000,  0.781543380000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.349581000000000,  0.462240080000000,  0.384608160000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.037822410000000,  0.807269580000000,  0.545216730000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.320826720000000,  0.549084110000000,  0.602571280000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.000000000000000,  0.736724780000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.962177590000000,  0.807269580000000,  0.954783270000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.320826720000000,  0.450915890000000,  0.102571280000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.869068050000000,  0.725611840000000,  0.718456620000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.012413670000000,  0.550475400000000,  0.618533320000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.833582500000000,  0.709436210000000,  0.423852790000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.202647350000000,  0.324903410000000,  0.893056490000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.987586330000000,  0.550475400000000,  0.881466680000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.012413670000000,  0.449524600000000,  0.118533320000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.797352650000000,  0.675096590000000,  0.106943510000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.166417500000000,  0.290563790000000,  0.576147210000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.987586330000000,  0.449524600000000,  0.381466680000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.130931950000000,  0.274388160000000,  0.281543380000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.679173280000000,  0.549084110000000,  0.897428720000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.037822410000000,  0.192730420000000,  0.045216730000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.000000000000000,  0.263275220000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.679173280000000,  0.450915890000000,  0.397428720000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.962177590000000,  0.192730420000000,  0.454783270000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.650419000000000,  0.537759920000000,  0.615391840000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 63    coordinates: [  0.869068050000000,  0.274388160000000,  0.218456620000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 64    coordinates: [  0.650419000000000,  0.462240080000000,  0.115391840000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 65    coordinates: [  0.797352650000000,  0.324903410000000,  0.606943510000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.833582500000000,  0.290563790000000,  0.923852790000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 67    coordinates: [  0.666417500000000,  0.209436210000000,  0.076147210000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 68    coordinates: [  0.702647350000000,  0.175096590000000,  0.393056490000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 69    coordinates: [  0.849581000000000,  0.037759920000000,  0.884608160000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 70    coordinates: [  0.630931950000000,  0.225611840000000,  0.781543380000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 71    coordinates: [  0.849581000000000,  0.962240080000000,  0.384608160000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 72    coordinates: [  0.537822410000000,  0.307269580000000,  0.545216730000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 73    coordinates: [  0.820826720000000,  0.049084110000000,  0.602571280000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 74    coordinates: [  0.500000000000000,  0.236724780000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 75    coordinates: [  0.462177590000000,  0.307269580000000,  0.954783270000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 76    coordinates: [  0.820826720000000,  0.950915890000000,  0.102571280000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 77    coordinates: [  0.369068050000000,  0.225611840000000,  0.718456620000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 78    coordinates: [  0.512413670000000,  0.050475400000000,  0.618533320000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 79    coordinates: [  0.333582500000000,  0.209436210000000,  0.423852790000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 80    coordinates: [  0.702647350000000,  0.824903410000000,  0.893056490000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 81    coordinates: [  0.487586330000000,  0.050475400000000,  0.881466680000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 82    coordinates: [  0.512413670000000,  0.949524600000000,  0.118533320000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 83    coordinates: [  0.297352650000000,  0.175096590000000,  0.106943510000000 ]    mass: 15.999400    reduced_to: 53  - 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symbol: O  # 92    coordinates: [  0.150419000000000,  0.037759920000000,  0.615391840000000 ]    mass: 15.999400    reduced_to: 62  - symbol: O  # 93    coordinates: [  0.369068050000000,  0.774388160000000,  0.218456620000000 ]    mass: 15.999400    reduced_to: 63  - symbol: O  # 94    coordinates: [  0.150419000000000,  0.962240080000000,  0.115391840000000 ]    mass: 15.999400    reduced_to: 64  - symbol: O  # 95    coordinates: [  0.297352650000000,  0.824903410000000,  0.606943510000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 96    coordinates: [  0.333582500000000,  0.790563790000000,  0.923852790000000 ]    mass: 15.999400    reduced_to: 66supercell:  lattice:  - [    11.274309010000000,     0.000000000000000,    -0.032020550000000 ] # a  - [     0.000000000000000,    11.072281340000000,     0.000000000000000 ] # b  - [    -0.920264690000000,     0.000000000000000,    11.083485580000000 ] # c  points:  - symbol: Er # 1    coordinates: [  0.348349090000000,  0.646575400000000,  0.063452920000000 ]    mass: 167.259000    reduced_to: 1  - 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