# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ebe80f1a-9846-4c2c-b462-4897e94d04f2/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 InSeI / I4_1/a (88) / materials id 505357](https://mdr.nims.go.jp/datasets/450c124d-f5f0-4acb-8189-07e537ac55a5)

## 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: "I4_1/a"  number: 88  Hall_symbol: "I 4bw -1bw"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -9.183760870000000,     9.183760809999999,     5.053507260000000 ] # a  - [     9.183760870000000,    -9.183760809999999,     5.053507260000000 ] # b  - [     9.183760809999999,     9.183760870000000,    -5.053507260000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.832750370000000,  0.253251490000000,  0.856584240000000 ]    mass: 114.818000  - symbol: In # 2    coordinates: [  0.003251490000000,  0.646667250000000,  0.920501120000000 ]    mass: 114.818000  - symbol: In # 3    coordinates: [  0.726166130000000,  0.082750370000000,  0.079498880000000 ]    mass: 114.818000  - symbol: In # 4    coordinates: [  0.396667250000000,  0.976166130000000,  0.143415760000000 ]    mass: 114.818000  - symbol: In # 5    coordinates: [  0.917249630000000,  0.996748510000000,  0.643415760000000 ]    mass: 114.818000  - symbol: In # 6    coordinates: [  0.746748510000000,  0.603332750000000,  0.579498880000000 ]    mass: 114.818000  - symbol: In # 7    coordinates: [  0.023833870000000,  0.167249630000000,  0.420501120000000 ]    mass: 114.818000  - symbol: In # 8    coordinates: [  0.353332750000000,  0.273833870000000,  0.356584240000000 ]    mass: 114.818000  - symbol: In # 9    coordinates: [  0.394756680000000,  0.942940680000000,  0.846281740000000 ]    mass: 114.818000  - symbol: In # 10    coordinates: [  0.692940680000000,  0.346658940000000,  0.048184000000000 ]    mass: 114.818000  - symbol: In # 11    coordinates: [  0.298474940000000,  0.644756680000000,  0.951816000000000 ]    mass: 114.818000  - symbol: In # 12    coordinates: [  0.096658940000000,  0.548474940000000,  0.153718260000000 ]    mass: 114.818000  - symbol: In # 13    coordinates: [  0.355243320000000,  0.307059320000000,  0.653718260000000 ]    mass: 114.818000  - symbol: In # 14    coordinates: [  0.057059320000000,  0.903341060000000,  0.451816000000000 ]    mass: 114.818000  - symbol: In # 15    coordinates: [  0.451525060000000,  0.605243320000000,  0.548184000000000 ]    mass: 114.818000  - symbol: In # 16    coordinates: [  0.653341060000000,  0.701525060000000,  0.346281740000000 ]    mass: 114.818000  - symbol: Se # 17    coordinates: [  0.618488850000000,  0.988899660000000,  0.877921850000000 ]    mass: 78.960000  - symbol: Se # 18    coordinates: [  0.738899660000000,  0.360977810000000,  0.870410810000000 ]    mass: 78.960000  - symbol: Se # 19    coordinates: [  0.490567000000000,  0.868488850000000,  0.129589190000000 ]    mass: 78.960000  - symbol: Se # 20    coordinates: [  0.110977810000000,  0.740567000000000,  0.122078150000000 ]    mass: 78.960000  - symbol: Se # 21    coordinates: [  0.131511150000000,  0.261100340000000,  0.622078150000000 ]    mass: 78.960000  - symbol: Se # 22    coordinates: [  0.011100340000000,  0.889022190000000,  0.629589190000000 ]    mass: 78.960000  - symbol: Se # 23    coordinates: [  0.259433000000000,  0.381511150000000,  0.370410810000000 ]    mass: 78.960000  - symbol: Se # 24    coordinates: [  0.639022190000000,  0.509433000000000,  0.377921850000000 ]    mass: 78.960000  - symbol: Se # 25    coordinates: [  0.085740710000000,  0.405166160000000,  0.001925690000000 ]    mass: 78.960000  - symbol: Se # 26    coordinates: [  0.155166160000000,  0.653240470000000,  0.819425450000000 ]    mass: 78.960000  - symbol: Se # 27    coordinates: [  0.833815020000000,  0.335740710000000,  0.180574550000000 ]    mass: 78.960000  - symbol: Se # 28    coordinates: [  0.403240470000000,  0.083815020000000,  0.998074310000000 ]    mass: 78.960000  - symbol: Se # 29    coordinates: [  0.664259290000000,  0.844833840000000,  0.498074310000000 ]    mass: 78.960000  - symbol: Se # 30    coordinates: [  0.594833840000000,  0.596759530000000,  0.680574550000000 ]    mass: 78.960000  - symbol: Se # 31    coordinates: [  0.916184980000000,  0.914259290000000,  0.319425450000000 ]    mass: 78.960000  - symbol: Se # 32    coordinates: [  0.346759530000000,  0.166184980000000,  0.501925690000000 ]    mass: 78.960000  - symbol: I  # 33    coordinates: [  0.840250960000000,  0.219123980000000,  0.663547840000000 ]    mass: 126.904470  - symbol: I  # 34    coordinates: [  0.969123980000000,  0.805576140000000,  0.878873020000000 ]    mass: 126.904470  - symbol: I  # 35    coordinates: [  0.926703120000000,  0.090250960000000,  0.121126980000000 ]    mass: 126.904470  - symbol: I  # 36    coordinates: [  0.555576140000000,  0.176703120000000,  0.336452160000000 ]    mass: 126.904470  - symbol: I  # 37    coordinates: [  0.909749040000000,  0.030876020000000,  0.836452160000000 ]    mass: 126.904470  - symbol: I  # 38    coordinates: [  0.780876020000000,  0.444423860000000,  0.621126980000000 ]    mass: 126.904470  - symbol: I  # 39    coordinates: [  0.823296880000000,  0.159749040000000,  0.378873020000000 ]    mass: 126.904470  - symbol: I  # 40    coordinates: [  0.194423860000000,  0.073296880000000,  0.163547840000000 ]    mass: 126.904470  - symbol: I  # 41    coordinates: [  0.357601690000000,  0.974377950000000,  0.663791460000000 ]    mass: 126.904470  - symbol: I  # 42    coordinates: [  0.724377950000000,  0.560586490000000,  0.116776260000000 ]    mass: 126.904470  - symbol: I  # 43    coordinates: [  0.443810230000000,  0.607601690000000,  0.883223740000000 ]    mass: 126.904470  - symbol: I  # 44    coordinates: [  0.310586490000000,  0.693810230000000,  0.336208540000000 ]    mass: 126.904470  - symbol: I  # 45    coordinates: [  0.392398310000000,  0.275622050000000,  0.836208540000000 ]    mass: 126.904470  - symbol: I  # 46    coordinates: [  0.025622050000000,  0.689413510000000,  0.383223740000000 ]    mass: 126.904470  - symbol: I  # 47    coordinates: [  0.306189770000000,  0.642398310000000,  0.616776260000000 ]    mass: 126.904470  - symbol: I  # 48    coordinates: [  0.439413510000000,  0.556189770000000,  0.163791460000000 ]    mass: 126.904470  reciprocal_lattice: # without 2pi  - [    -0.000000000177848,     0.054443926481866,     0.098941185650933 ] # a*  - [     0.054443926481866,     0.000000000177848,     0.098941185650933 ] # b*  - [     0.054443926304018,     0.054443926659714,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    18.367521679999999,     0.000000060000000,     0.000000000000000 ] # a  - [    -0.000000060000000,    18.367521679999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.107014520000000 ] # c  points:  - symbol: In # 1    coordinates: [  0.638542680000000,  0.218041560000000,  0.614708810000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 2    coordinates: [  0.781958440000000,  0.138542680000000,  0.864708810000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 3    coordinates: [  0.718041560000000,  0.361457320000000,  0.364708810000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 4    coordinates: [  0.861457320000000,  0.281958440000000,  0.114708810000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 5    coordinates: [  0.361457320000000,  0.281958440000000,  0.635291190000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.218041560000000,  0.361457320000000,  0.385291190000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 7    coordinates: [  0.281958440000000,  0.138542680000000,  0.885291190000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 8    coordinates: [  0.138542680000000,  0.218041560000000,  0.135291190000000 ]    mass: 114.818000    reduced_to: 8  - symbol: In # 9    coordinates: [  0.697232870000000,  0.149048870000000,  0.245707810000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 10    coordinates: [  0.850951130000000,  0.197232870000000,  0.495707810000000 ]    mass: 114.818000    reduced_to: 10  - symbol: In # 11    coordinates: [  0.649048870000000,  0.302767130000000,  0.995707810000000 ]    mass: 114.818000    reduced_to: 11  - symbol: In # 12    coordinates: [  0.802767130000000,  0.350951130000000,  0.745707810000000 ]    mass: 114.818000    reduced_to: 12  - symbol: In # 13    coordinates: [  0.302767130000000,  0.350951130000000,  0.004292190000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 14    coordinates: [  0.149048870000000,  0.302767130000000,  0.754292190000000 ]    mass: 114.818000    reduced_to: 14  - symbol: In # 15    coordinates: [  0.350951130000000,  0.197232870000000,  0.254292190000000 ]    mass: 114.818000    reduced_to: 15  - symbol: In # 16    coordinates: [  0.197232870000000,  0.149048870000000,  0.504292190000000 ]    mass: 114.818000    reduced_to: 16  - symbol: In # 17    coordinates: [  0.138542680000000,  0.718041560000000,  0.114708810000000 ]    mass: 114.818000    reduced_to: 1  - symbol: In # 18    coordinates: [  0.281958440000000,  0.638542680000000,  0.364708810000000 ]    mass: 114.818000    reduced_to: 2  - symbol: In # 19    coordinates: [  0.218041560000000,  0.861457320000000,  0.864708810000000 ]    mass: 114.818000    reduced_to: 3  - symbol: In # 20    coordinates: [  0.361457320000000,  0.781958440000000,  0.614708810000000 ]    mass: 114.818000    reduced_to: 4  - symbol: In # 21    coordinates: [  0.861457320000000,  0.781958440000000,  0.135291190000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 22    coordinates: [  0.718041560000000,  0.861457320000000,  0.885291190000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 23    coordinates: [  0.781958440000000,  0.638542680000000,  0.385291190000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 24    coordinates: [  0.638542680000000,  0.718041560000000,  0.635291190000000 ]    mass: 114.818000    reduced_to: 8  - symbol: In # 25    coordinates: [  0.197232870000000,  0.649048870000000,  0.745707810000000 ]    mass: 114.818000    reduced_to: 9  - symbol: In # 26    coordinates: [  0.350951130000000,  0.697232870000000,  0.995707810000000 ]    mass: 114.818000    reduced_to: 10  - symbol: In # 27    coordinates: [  0.149048870000000,  0.802767130000000,  0.495707810000000 ]    mass: 114.818000    reduced_to: 11  - symbol: In # 28    coordinates: [  0.302767130000000,  0.850951130000000,  0.245707810000000 ]    mass: 114.818000    reduced_to: 12  - symbol: In # 29    coordinates: [  0.802767130000000,  0.850951130000000,  0.504292190000000 ]    mass: 114.818000    reduced_to: 13  - symbol: In # 30    coordinates: [  0.649048870000000,  0.802767130000000,  0.254292190000000 ]    mass: 114.818000    reduced_to: 14  - symbol: In # 31    coordinates: [  0.850951130000000,  0.697232870000000,  0.754292190000000 ]    mass: 114.818000    reduced_to: 15  - symbol: In # 32    coordinates: [  0.697232870000000,  0.649048870000000,  0.004292190000000 ]    mass: 114.818000    reduced_to: 16  - symbol: Se # 33    coordinates: [  0.624166330000000,  0.253755520000000,  0.364733330000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 34    coordinates: [  0.746244480000000,  0.124166330000000,  0.614733330000000 ]    mass: 78.960000    reduced_to: 34  - symbol: Se # 35    coordinates: [  0.753755520000000,  0.375833670000000,  0.114733330000000 ]    mass: 78.960000    reduced_to: 35  - symbol: Se # 36    coordinates: [  0.875833670000000,  0.246244480000000,  0.864733330000000 ]    mass: 78.960000    reduced_to: 36  - symbol: Se # 37    coordinates: [  0.375833670000000,  0.246244480000000,  0.885266670000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 38    coordinates: [  0.253755520000000,  0.375833670000000,  0.635266670000000 ]    mass: 78.960000    reduced_to: 38  - symbol: Se # 39    coordinates: [  0.246244480000000,  0.124166330000000,  0.135266670000000 ]    mass: 78.960000    reduced_to: 39  - symbol: Se # 40    coordinates: [  0.124166330000000,  0.253755520000000,  0.385266670000000 ]    mass: 78.960000    reduced_to: 40  - symbol: Se # 41    coordinates: [  0.660675570000000,  0.341250120000000,  0.744490590000000 ]    mass: 78.960000    reduced_to: 41  - symbol: Se # 42    coordinates: [  0.658749880000000,  0.160675570000000,  0.994490590000000 ]    mass: 78.960000    reduced_to: 42  - symbol: Se # 43    coordinates: [  0.841250120000000,  0.339324430000000,  0.494490590000000 ]    mass: 78.960000    reduced_to: 43  - symbol: Se # 44    coordinates: [  0.839324430000000,  0.158749880000000,  0.244490590000000 ]    mass: 78.960000    reduced_to: 44  - symbol: Se # 45    coordinates: [  0.339324430000000,  0.158749880000000,  0.505509410000000 ]    mass: 78.960000    reduced_to: 45  - symbol: Se # 46    coordinates: [  0.341250120000000,  0.339324430000000,  0.255509410000000 ]    mass: 78.960000    reduced_to: 46  - symbol: Se # 47    coordinates: [  0.158749880000000,  0.160675570000000,  0.755509410000000 ]    mass: 78.960000    reduced_to: 47  - symbol: Se # 48    coordinates: [  0.160675570000000,  0.341250120000000,  0.005509410000000 ]    mass: 78.960000    reduced_to: 48  - symbol: Se # 49    coordinates: [  0.124166330000000,  0.753755520000000,  0.864733330000000 ]    mass: 78.960000    reduced_to: 33  - symbol: Se # 50    coordinates: [  0.246244480000000,  0.624166330000000,  0.114733330000000 ]    mass: 78.960000    reduced_to: 34  - symbol: Se # 51    coordinates: [  0.253755520000000,  0.875833670000000,  0.614733330000000 ]    mass: 78.960000    reduced_to: 35  - symbol: Se # 52    coordinates: [  0.375833670000000,  0.746244480000000,  0.364733330000000 ]    mass: 78.960000    reduced_to: 36  - symbol: Se # 53    coordinates: [  0.875833670000000,  0.746244480000000,  0.385266670000000 ]    mass: 78.960000    reduced_to: 37  - symbol: Se # 54    coordinates: [  0.753755520000000,  0.875833670000000,  0.135266670000000 ]    mass: 78.960000    reduced_to: 38  - symbol: Se # 55    coordinates: [  0.746244480000000,  0.624166330000000,  0.635266670000000 ]    mass: 78.960000    reduced_to: 39  - symbol: Se # 56    coordinates: [  0.624166330000000,  0.753755520000000,  0.885266670000000 ]    mass: 78.960000    reduced_to: 40  - symbol: Se # 57    coordinates: [  0.160675570000000,  0.841250120000000,  0.244490590000000 ]    mass: 78.960000    reduced_to: 41  - symbol: Se # 58    coordinates: [  0.158749880000000,  0.660675570000000,  0.494490590000000 ]    mass: 78.960000    reduced_to: 42  - symbol: Se # 59    coordinates: [  0.341250120000000,  0.839324430000000,  0.994490590000000 ]    mass: 78.960000    reduced_to: 43  - symbol: Se # 60    coordinates: [  0.339324430000000,  0.658749880000000,  0.744490590000000 ]    mass: 78.960000    reduced_to: 44  - symbol: Se # 61    coordinates: [  0.839324430000000,  0.658749880000000,  0.005509410000000 ]    mass: 78.960000    reduced_to: 45  - symbol: Se # 62    coordinates: [  0.841250120000000,  0.839324430000000,  0.755509410000000 ]    mass: 78.960000    reduced_to: 46  - symbol: Se # 63    coordinates: [  0.658749880000000,  0.660675570000000,  0.255509410000000 ]    mass: 78.960000    reduced_to: 47  - symbol: Se # 64    coordinates: [  0.660675570000000,  0.841250120000000,  0.505509410000000 ]    mass: 78.960000    reduced_to: 48  - symbol: I  # 65    coordinates: [  0.021210430000000,  0.642337410000000,  0.197913550000000 ]    mass: 126.904470    reduced_to: 65  - symbol: I  # 66    coordinates: [  0.857662590000000,  0.021210430000000,  0.947913550000000 ]    mass: 126.904470    reduced_to: 66  - symbol: I  # 67    coordinates: [  0.142337410000000,  0.978789570000000,  0.947913550000000 ]    mass: 126.904470    reduced_to: 67  - symbol: I  # 68    coordinates: [  0.978789570000000,  0.357662590000000,  0.197913550000000 ]    mass: 126.904470    reduced_to: 68  - symbol: I  # 69    coordinates: [  0.978789570000000,  0.857662590000000,  0.052086450000000 ]    mass: 126.904470    reduced_to: 69  - symbol: I  # 70    coordinates: [  0.142337410000000,  0.478789570000000,  0.302086450000000 ]    mass: 126.904470    reduced_to: 70  - symbol: I  # 71    coordinates: [  0.857662590000000,  0.521210430000000,  0.302086450000000 ]    mass: 126.904470    reduced_to: 71  - symbol: I  # 72    coordinates: [  0.021210430000000,  0.142337410000000,  0.052086450000000 ]    mass: 126.904470    reduced_to: 72  - symbol: I  # 73    coordinates: [  0.140283860000000,  0.523507600000000,  0.834094090000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 74    coordinates: [  0.976492400000000,  0.140283860000000,  0.584094090000000 ]    mass: 126.904470    reduced_to: 74  - symbol: I  # 75    coordinates: [  0.023507600000000,  0.859716140000000,  0.584094090000000 ]    mass: 126.904470    reduced_to: 75  - symbol: I  # 76    coordinates: [  0.859716140000000,  0.476492400000000,  0.834094090000000 ]    mass: 126.904470    reduced_to: 76  - symbol: I  # 77    coordinates: [  0.859716140000000,  0.976492400000000,  0.415905910000000 ]    mass: 126.904470    reduced_to: 77  - symbol: I  # 78    coordinates: [  0.023507600000000,  0.359716140000000,  0.665905910000000 ]    mass: 126.904470    reduced_to: 78  - symbol: I  # 79    coordinates: [  0.976492400000000,  0.640283860000000,  0.665905910000000 ]    mass: 126.904470    reduced_to: 79  - symbol: I  # 80    coordinates: [  0.140283860000000,  0.023507600000000,  0.415905910000000 ]    mass: 126.904470    reduced_to: 80  - symbol: I  # 81    coordinates: [  0.521210430000000,  0.142337410000000,  0.697913550000000 ]    mass: 126.904470    reduced_to: 65  - symbol: I  # 82    coordinates: [  0.357662590000000,  0.521210430000000,  0.447913550000000 ]    mass: 126.904470    reduced_to: 66  - symbol: I  # 83    coordinates: [  0.642337410000000,  0.478789570000000,  0.447913550000000 ]    mass: 126.904470    reduced_to: 67  - 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