# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b42df4b3-8f0b-4258-bf05-998a9afd4e04/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 Sn2N2O / P-3m1 (164) / materials id 777394](https://mdr.nims.go.jp/datasets/5898d40d-84d7-4912-9632-d1cbbe35f0db)

## 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: "P-3m1"  number: 164  Hall_symbol: "-P 3 2\""supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.387430310000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.193715150000000,     5.531676910000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.643718010000001 ] # c  points:  - symbol: Sn # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.044681570000000 ]    mass: 118.710000  - symbol: Sn # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.668330840000000 ]    mass: 118.710000  - symbol: Sn # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000  - symbol: Sn # 4    coordinates: [  0.831979640000000,  0.168020360000000,  0.834532110000000 ]    mass: 118.710000  - symbol: Sn # 5    coordinates: [  0.168020360000000,  0.336040720000000,  0.165467890000000 ]    mass: 118.710000  - symbol: Sn # 6    coordinates: [  0.663959280000000,  0.831979640000000,  0.165467890000000 ]    mass: 118.710000  - symbol: Sn # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.371751410000000 ]    mass: 118.710000  - symbol: Sn # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000  - symbol: Sn # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.628248590000000 ]    mass: 118.710000  - symbol: Sn # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000  - symbol: Sn # 11    coordinates: [  0.336040720000000,  0.168020360000000,  0.834532110000000 ]    mass: 118.710000  - symbol: Sn # 12    coordinates: [  0.831979640000000,  0.663959280000000,  0.834532110000000 ]    mass: 118.710000  - symbol: Sn # 13    coordinates: [  0.168020360000000,  0.831979640000000,  0.165467890000000 ]    mass: 118.710000  - symbol: Sn # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 118.710000  - symbol: Sn # 15    coordinates: [  0.333333330000000,  0.666666670000000,  0.331669160000000 ]    mass: 118.710000  - symbol: Sn # 16    coordinates: [  0.333333330000000,  0.666666670000000,  0.955318430000000 ]    mass: 118.710000  - symbol: N  # 17    coordinates: [  0.666666670000000,  0.333333330000000,  0.911243890000000 ]    mass: 14.006700  - symbol: N  # 18    coordinates: [  0.821644480000000,  0.178355520000000,  0.582199010000000 ]    mass: 14.006700  - symbol: N  # 19    coordinates: [  0.845111740000000,  0.154888260000000,  0.087371550000000 ]    mass: 14.006700  - symbol: N  # 20    coordinates: [  0.643288960000000,  0.821644480000000,  0.417800990000000 ]    mass: 14.006700  - symbol: N  # 21    coordinates: [  0.178355520000000,  0.356711040000000,  0.417800990000000 ]    mass: 14.006700  - symbol: N  # 22    coordinates: [  0.154888260000000,  0.309776520000000,  0.912628450000000 ]    mass: 14.006700  - symbol: N  # 23    coordinates: [  0.690223480000000,  0.845111740000000,  0.912628450000000 ]    mass: 14.006700  - symbol: N  # 24    coordinates: [  0.000000000000000,  0.000000000000000,  0.239031840000000 ]    mass: 14.006700  - symbol: N  # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.760968160000000 ]    mass: 14.006700  - symbol: N  # 26    coordinates: [  0.309776520000000,  0.154888260000000,  0.087371550000000 ]    mass: 14.006700  - symbol: N  # 27    coordinates: [  0.845111740000000,  0.690223480000000,  0.087371550000000 ]    mass: 14.006700  - symbol: N  # 28    coordinates: [  0.356711040000000,  0.178355520000000,  0.582199010000000 ]    mass: 14.006700  - symbol: N  # 29    coordinates: [  0.821644480000000,  0.643288960000000,  0.582199010000000 ]    mass: 14.006700  - symbol: N  # 30    coordinates: [  0.154888260000000,  0.845111740000000,  0.912628450000000 ]    mass: 14.006700  - symbol: N  # 31    coordinates: [  0.178355520000000,  0.821644480000000,  0.417800990000000 ]    mass: 14.006700  - symbol: N  # 32    coordinates: [  0.333333330000000,  0.666666670000000,  0.088756110000000 ]    mass: 14.006700  - symbol: O  # 33    coordinates: [  0.522957670000000,  0.477042330000000,  0.757115660000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.666666670000000,  0.333333330000000,  0.436132340000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.954084660000000,  0.477042330000000,  0.757115660000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.522957670000000,  0.045915340000000,  0.757115660000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.477042330000000,  0.954084660000000,  0.242884340000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.045915340000000,  0.522957670000000,  0.242884340000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.333333330000000,  0.666666670000000,  0.563867660000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.477042330000000,  0.522957670000000,  0.242884340000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.156557481094459,     0.090388503766973,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.180777007816966,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.063923422766939 ] # c*unit_cell:  lattice:  - [     6.387430310000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.193715150000000,     5.531676910000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.643718010000001 ] # c  points:  - symbol: Sn # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.044681570000000 ]    mass: 118.710000    reduced_to: 1  - symbol: Sn # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.668330840000000 ]    mass: 118.710000    reduced_to: 2  - symbol: Sn # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 3  - symbol: Sn # 4    coordinates: [  0.831979640000000,  0.168020360000000,  0.834532110000000 ]    mass: 118.710000    reduced_to: 4  - symbol: Sn # 5    coordinates: [  0.168020360000000,  0.336040720000000,  0.165467890000000 ]    mass: 118.710000    reduced_to: 5  - symbol: Sn # 6    coordinates: [  0.663959280000000,  0.831979640000000,  0.165467890000000 ]    mass: 118.710000    reduced_to: 6  - symbol: Sn # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.371751410000000 ]    mass: 118.710000    reduced_to: 7  - symbol: Sn # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 8  - symbol: Sn # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.628248590000000 ]    mass: 118.710000    reduced_to: 9  - symbol: Sn # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 10  - symbol: Sn # 11    coordinates: [  0.336040720000000,  0.168020360000000,  0.834532110000000 ]    mass: 118.710000    reduced_to: 11  - symbol: Sn # 12    coordinates: [  0.831979640000000,  0.663959280000000,  0.834532110000000 ]    mass: 118.710000    reduced_to: 12  - symbol: Sn # 13    coordinates: [  0.168020360000000,  0.831979640000000,  0.165467890000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 14  - symbol: Sn # 15    coordinates: [  0.333333330000000,  0.666666670000000,  0.331669160000000 ]    mass: 118.710000    reduced_to: 15  - symbol: Sn # 16    coordinates: [  0.333333330000000,  0.666666670000000,  0.955318430000000 ]    mass: 118.710000    reduced_to: 16  - symbol: N  # 17    coordinates: [  0.666666670000000,  0.333333330000000,  0.911243890000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.821644480000000,  0.178355520000000,  0.582199010000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 19    coordinates: [  0.845111740000000,  0.154888260000000,  0.087371550000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.643288960000000,  0.821644480000000,  0.417800990000000 ]    mass: 14.006700    reduced_to: 20  - symbol: N  # 21    coordinates: [  0.178355520000000,  0.356711040000000,  0.417800990000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.154888260000000,  0.309776520000000,  0.912628450000000 ]    mass: 14.006700    reduced_to: 22  - symbol: N  # 23    coordinates: [  0.690223480000000,  0.845111740000000,  0.912628450000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.000000000000000,  0.000000000000000,  0.239031840000000 ]    mass: 14.006700    reduced_to: 24  - symbol: N  # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.760968160000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.309776520000000,  0.154888260000000,  0.087371550000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 27    coordinates: [  0.845111740000000,  0.690223480000000,  0.087371550000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.356711040000000,  0.178355520000000,  0.582199010000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 29    coordinates: [  0.821644480000000,  0.643288960000000,  0.582199010000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.154888260000000,  0.845111740000000,  0.912628450000000 ]    mass: 14.006700    reduced_to: 30  - symbol: N  # 31    coordinates: [  0.178355520000000,  0.821644480000000,  0.417800990000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 32    coordinates: [  0.333333330000000,  0.666666670000000,  0.088756110000000 ]    mass: 14.006700    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.522957670000000,  0.477042330000000,  0.757115660000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.666666670000000,  0.333333330000000,  0.436132340000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.954084660000000,  0.477042330000000,  0.757115660000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.522957670000000,  0.045915340000000,  0.757115660000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.477042330000000,  0.954084660000000,  0.242884340000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.045915340000000,  0.522957670000000,  0.242884340000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.333333330000000,  0.666666670000000,  0.563867660000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.477042330000000,  0.522957670000000,  0.242884340000000 ]    mass: 15.999400    reduced_to: 40supercell:  lattice:  - [     6.387430310000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.193715150000000,     5.531676910000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.643718010000001 ] # c  points:  - symbol: Sn # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.044681570000000 ]    mass: 118.710000    reduced_to: 1  - symbol: Sn # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.668330840000000 ]    mass: 118.710000    reduced_to: 2  - symbol: Sn # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 3  - symbol: Sn # 4    coordinates: [  0.831979640000000,  0.168020360000000,  0.834532110000000 ]    mass: 118.710000    reduced_to: 4  - symbol: Sn # 5    coordinates: [  0.168020360000000,  0.336040720000000,  0.165467890000000 ]    mass: 118.710000    reduced_to: 5  - symbol: Sn # 6    coordinates: [  0.663959280000000,  0.831979640000000,  0.165467890000000 ]    mass: 118.710000    reduced_to: 6  - symbol: Sn # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.371751410000000 ]    mass: 118.710000    reduced_to: 7  - symbol: Sn # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 8  - symbol: Sn # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.628248590000000 ]    mass: 118.710000    reduced_to: 9  - symbol: Sn # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 118.710000    reduced_to: 10  - symbol: Sn # 11    coordinates: [  0.336040720000000,  0.168020360000000,  0.834532110000000 ]    mass: 118.710000    reduced_to: 11  - symbol: Sn # 12    coordinates: [  0.831979640000000,  0.663959280000000,  0.834532110000000 ]    mass: 118.710000    reduced_to: 12  - symbol: Sn # 13    coordinates: [  0.168020360000000,  0.831979640000000,  0.165467890000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 118.710000    reduced_to: 14  - symbol: Sn # 15    coordinates: [  0.333333330000000,  0.666666670000000,  0.331669160000000 ]    mass: 118.710000    reduced_to: 15  - symbol: Sn # 16    coordinates: [  0.333333330000000,  0.666666670000000,  0.955318430000000 ]    mass: 118.710000    reduced_to: 16  - symbol: N  # 17    coordinates: [  0.666666670000000,  0.333333330000000,  0.911243890000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.821644480000000,  0.178355520000000,  0.582199010000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 19    coordinates: [  0.845111740000000,  0.154888260000000,  0.087371550000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.643288960000000,  0.821644480000000,  0.417800990000000 ]    mass: 14.006700    reduced_to: 20  - symbol: N  # 21    coordinates: [  0.178355520000000,  0.356711040000000,  0.417800990000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.154888260000000,  0.309776520000000,  0.912628450000000 ]    mass: 14.006700    reduced_to: 22  - symbol: N  # 23    coordinates: [  0.690223480000000,  0.845111740000000,  0.912628450000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.000000000000000,  0.000000000000000,  0.239031840000000 ]    mass: 14.006700    reduced_to: 24  - symbol: N  # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.760968160000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.309776520000000,  0.154888260000000,  0.087371550000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 27    coordinates: [  0.845111740000000,  0.690223480000000,  0.087371550000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.356711040000000,  0.178355520000000,  0.582199010000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 29    coordinates: [  0.821644480000000,  0.643288960000000,  0.582199010000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.154888260000000,  0.845111740000000,  0.912628450000000 ]    mass: 14.006700    reduced_to: 30  - symbol: N  # 31    coordinates: [  0.178355520000000,  0.821644480000000,  0.417800990000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 32    coordinates: [  0.333333330000000,  0.666666670000000,  0.088756110000000 ]    mass: 14.006700    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.522957670000000,  0.477042330000000,  0.757115660000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.666666670000000,  0.333333330000000,  0.436132340000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.954084660000000,  0.477042330000000,  0.757115660000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.522957670000000,  0.045915340000000,  0.757115660000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.477042330000000,  0.954084660000000,  0.242884340000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.045915340000000,  0.522957670000000,  0.242884340000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.333333330000000,  0.666666670000000,  0.563867660000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.477042330000000,  0.522957670000000,  0.242884340000000 ]    mass: 15.999400    reduced_to: 40displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1855821000000000,  0.0023114600000000, -0.0015603300000000 ]  - [   0.0014701600000000, -0.0000029400000000,  0.0000191800000000 ]  - [  -0.0000050600000000, -0.0004024000000000,  0.0003196700000000 ]  - [  -0.0002565500000000,  0.0020447700000000, -0.0038393600000000 ]  - [   0.0326400000000000, -0.0001550000000000,  0.0000960200000000 ]  - [  -0.0005807000000000, -0.0192116800000000,  0.0098607200000000 ]  - [  -0.0018362800000000, -0.0000022300000000,  0.0000813100000000 ]  - [  -0.0000134200000000,  0.0004062500000000, -0.0003205100000000 ]  - [  -0.0000761500000000,  0.0000012900000000, -0.0000922100000000 ]  - [   0.0298322900000000, -0.0001311400000000,  0.0000569300000000 ]  - [  -0.0003131900000000, -0.0021366400000000,  0.0037893700000000 ]  - [   0.0033362700000000,  0.0000481900000000,  0.0000182700000000 ]  - [  -0.0008596300000000,  0.0193083400000000, -0.0098130700000000 ]  - [   0.0006911200000000, -0.0000045400000000,  0.0000000100000000 ]  - [   0.0032574100000000, -0.0000035900000000, -0.0000030600000000 ]  - [   0.0066315000000000,  0.0000662400000000, -0.0000415500000000 ]  - 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