# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9cc0ca82-77f3-4f15-a091-c4c3a318efe0/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 K2GaP2 / P2_1/c (14) / materials id 15417](https://mdr.nims.go.jp/datasets/6db9a1b8-9b17-48a4-b02d-c18623e3deb2)

## 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:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.616575170000001,     0.000000000000000,    -0.008103530000000 ] # a  - [     0.000000000000000,    13.900432260000001,     0.000000000000000 ] # b  - [    -5.231167710000000,     0.000000000000000,     9.585499670000001 ] # c  points:  - symbol: P  # 1    coordinates: [  0.264595180000000,  0.464372640000000,  0.779591390000000 ]    mass: 30.973762  - symbol: P  # 2    coordinates: [  0.633640880000000,  0.681680810000000,  0.218377540000000 ]    mass: 30.973762  - symbol: P  # 3    coordinates: [  0.366359120000000,  0.181680810000000,  0.281622460000000 ]    mass: 30.973762  - symbol: P  # 4    coordinates: [  0.888740630000000,  0.284158160000000,  0.725106530000000 ]    mass: 30.973762  - symbol: P  # 5    coordinates: [  0.111259370000000,  0.784158160000000,  0.774893470000000 ]    mass: 30.973762  - symbol: P  # 6    coordinates: [  0.111259370000000,  0.715841840000000,  0.274893470000000 ]    mass: 30.973762  - symbol: P  # 7    coordinates: [  0.888740630000000,  0.215841840000000,  0.225106530000000 ]    mass: 30.973762  - symbol: P  # 8    coordinates: [  0.211287790000000,  0.445616050000000,  0.255417650000000 ]    mass: 30.973762  - symbol: P  # 9    coordinates: [  0.788712210000000,  0.945616050000000,  0.244582350000000 ]    mass: 30.973762  - symbol: P  # 10    coordinates: [  0.788712210000000,  0.554383950000000,  0.744582350000000 ]    mass: 30.973762  - symbol: P  # 11    coordinates: [  0.366359120000000,  0.318319190000000,  0.781622460000000 ]    mass: 30.973762  - symbol: P  # 12    coordinates: [  0.211287790000000,  0.054383950000000,  0.755417650000000 ]    mass: 30.973762  - symbol: P  # 13    coordinates: [  0.264595180000000,  0.035627360000000,  0.279591390000000 ]    mass: 30.973762  - symbol: P  # 14    coordinates: [  0.735404820000000,  0.535627360000000,  0.220408610000000 ]    mass: 30.973762  - symbol: P  # 15    coordinates: [  0.735404820000000,  0.964372640000000,  0.720408610000000 ]    mass: 30.973762  - symbol: P  # 16    coordinates: [  0.633640880000000,  0.818319190000000,  0.718377540000000 ]    mass: 30.973762  - symbol: K  # 17    coordinates: [  0.489194870000000,  0.882588980000000,  0.934059610000000 ]    mass: 39.098300  - symbol: K  # 18    coordinates: [  0.489194870000000,  0.617411020000000,  0.434059610000000 ]    mass: 39.098300  - symbol: K  # 19    coordinates: [  0.510805130000000,  0.117411020000000,  0.065940390000000 ]    mass: 39.098300  - symbol: K  # 20    coordinates: [  0.786007470000000,  0.387326150000000,  0.972692050000000 ]    mass: 39.098300  - symbol: K  # 21    coordinates: [  0.987540930000000,  0.372003510000000,  0.463227420000000 ]    mass: 39.098300  - symbol: K  # 22    coordinates: [  0.213992530000000,  0.612673850000000,  0.027307950000000 ]    mass: 39.098300  - symbol: K  # 23    coordinates: [  0.786007470000000,  0.112673850000000,  0.472692050000000 ]    mass: 39.098300  - symbol: K  # 24    coordinates: [  0.424993610000000,  0.133010300000000,  0.599833510000000 ]    mass: 39.098300  - symbol: K  # 25    coordinates: [  0.575006390000000,  0.633010300000000,  0.900166490000000 ]    mass: 39.098300  - symbol: K  # 26    coordinates: [  0.575006390000000,  0.866989700000000,  0.400166490000000 ]    mass: 39.098300  - symbol: K  # 27    coordinates: [  0.424993610000000,  0.366989700000000,  0.099833510000000 ]    mass: 39.098300  - symbol: K  # 28    coordinates: [  0.987540930000000,  0.127996490000000,  0.963227420000000 ]    mass: 39.098300  - symbol: K  # 29    coordinates: [  0.012459070000000,  0.627996490000000,  0.536772580000000 ]    mass: 39.098300  - symbol: K  # 30    coordinates: [  0.012459070000000,  0.872003510000000,  0.036772580000000 ]    mass: 39.098300  - symbol: K  # 31    coordinates: [  0.510805130000000,  0.382588980000000,  0.565940390000000 ]    mass: 39.098300  - symbol: K  # 32    coordinates: [  0.213992530000000,  0.887326150000000,  0.527307950000000 ]    mass: 39.098300  - symbol: Ga # 33    coordinates: [  0.990811510000000,  0.440572820000000,  0.758787860000000 ]    mass: 69.723000  - symbol: Ga # 34    coordinates: [  0.009188490000000,  0.940572820000000,  0.741212140000000 ]    mass: 69.723000  - symbol: Ga # 35    coordinates: [  0.009188490000000,  0.559427180000000,  0.241212140000000 ]    mass: 69.723000  - symbol: Ga # 36    coordinates: [  0.145155870000000,  0.215492800000000,  0.753226080000000 ]    mass: 69.723000  - symbol: Ga # 37    coordinates: [  0.854844130000000,  0.715492800000000,  0.746773920000000 ]    mass: 69.723000  - symbol: Ga # 38    coordinates: [  0.854844130000000,  0.784507200000000,  0.246773920000000 ]    mass: 69.723000  - symbol: Ga # 39    coordinates: [  0.145155870000000,  0.284507200000000,  0.253226080000000 ]    mass: 69.723000  - symbol: Ga # 40    coordinates: [  0.990811510000000,  0.059427180000000,  0.258787860000000 ]    mass: 69.723000  reciprocal_lattice: # without 2pi  - [     0.116114986210354,     0.000000000000000,     0.063368315416227 ] # a*  - [     0.000000000000000,     0.071940208857937,     0.000000000000000 ] # b*  - [     0.000098162986448,     0.000000000000000,     0.104377814562590 ] # c*unit_cell:  lattice:  - [     8.616575170000001,     0.000000000000000,    -0.008103530000000 ] # a  - [     0.000000000000000,    13.900432260000001,     0.000000000000000 ] # b  - [    -5.231167710000000,     0.000000000000000,     9.585499670000001 ] # c  points:  - symbol: P  # 1    coordinates: [  0.264595180000000,  0.464372640000000,  0.779591390000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.633640880000000,  0.681680810000000,  0.218377540000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 3    coordinates: [  0.366359120000000,  0.181680810000000,  0.281622460000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 4    coordinates: [  0.888740630000000,  0.284158160000000,  0.725106530000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 5    coordinates: [  0.111259370000000,  0.784158160000000,  0.774893470000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.111259370000000,  0.715841840000000,  0.274893470000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 7    coordinates: [  0.888740630000000,  0.215841840000000,  0.225106530000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 8    coordinates: [  0.211287790000000,  0.445616050000000,  0.255417650000000 ]    mass: 30.973762    reduced_to: 8  - symbol: P  # 9    coordinates: [  0.788712210000000,  0.945616050000000,  0.244582350000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 10    coordinates: [  0.788712210000000,  0.554383950000000,  0.744582350000000 ]    mass: 30.973762    reduced_to: 10  - symbol: P  # 11    coordinates: [  0.366359120000000,  0.318319190000000,  0.781622460000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 12    coordinates: [  0.211287790000000,  0.054383950000000,  0.755417650000000 ]    mass: 30.973762    reduced_to: 12  - symbol: P  # 13    coordinates: [  0.264595180000000,  0.035627360000000,  0.279591390000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 14    coordinates: [  0.735404820000000,  0.535627360000000,  0.220408610000000 ]    mass: 30.973762    reduced_to: 14  - symbol: P  # 15    coordinates: [  0.735404820000000,  0.964372640000000,  0.720408610000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 16    coordinates: [  0.633640880000000,  0.818319190000000,  0.718377540000000 ]    mass: 30.973762    reduced_to: 16  - symbol: K  # 17    coordinates: [  0.489194870000000,  0.882588980000000,  0.934059610000000 ]    mass: 39.098300    reduced_to: 17  - symbol: K  # 18    coordinates: [  0.489194870000000,  0.617411020000000,  0.434059610000000 ]    mass: 39.098300    reduced_to: 18  - symbol: K  # 19    coordinates: [  0.510805130000000,  0.117411020000000,  0.065940390000000 ]    mass: 39.098300    reduced_to: 19  - symbol: K  # 20    coordinates: [  0.786007470000000,  0.387326150000000,  0.972692050000000 ]    mass: 39.098300    reduced_to: 20  - symbol: K  # 21    coordinates: [  0.987540930000000,  0.372003510000000,  0.463227420000000 ]    mass: 39.098300    reduced_to: 21  - symbol: K  # 22    coordinates: [  0.213992530000000,  0.612673850000000,  0.027307950000000 ]    mass: 39.098300    reduced_to: 22  - symbol: K  # 23    coordinates: [  0.786007470000000,  0.112673850000000,  0.472692050000000 ]    mass: 39.098300    reduced_to: 23  - symbol: K  # 24    coordinates: [  0.424993610000000,  0.133010300000000,  0.599833510000000 ]    mass: 39.098300    reduced_to: 24  - symbol: K  # 25    coordinates: [  0.575006390000000,  0.633010300000000,  0.900166490000000 ]    mass: 39.098300    reduced_to: 25  - symbol: K  # 26    coordinates: [  0.575006390000000,  0.866989700000000,  0.400166490000000 ]    mass: 39.098300    reduced_to: 26  - symbol: K  # 27    coordinates: [  0.424993610000000,  0.366989700000000,  0.099833510000000 ]    mass: 39.098300    reduced_to: 27  - symbol: K  # 28    coordinates: [  0.987540930000000,  0.127996490000000,  0.963227420000000 ]    mass: 39.098300    reduced_to: 28  - symbol: K  # 29    coordinates: [  0.012459070000000,  0.627996490000000,  0.536772580000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 30    coordinates: [  0.012459070000000,  0.872003510000000,  0.036772580000000 ]    mass: 39.098300    reduced_to: 30  - symbol: K  # 31    coordinates: [  0.510805130000000,  0.382588980000000,  0.565940390000000 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 32    coordinates: [  0.213992530000000,  0.887326150000000,  0.527307950000000 ]    mass: 39.098300    reduced_to: 32  - symbol: Ga # 33    coordinates: [  0.990811510000000,  0.440572820000000,  0.758787860000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 34    coordinates: [  0.009188490000000,  0.940572820000000,  0.741212140000000 ]    mass: 69.723000    reduced_to: 34  - symbol: Ga # 35    coordinates: [  0.009188490000000,  0.559427180000000,  0.241212140000000 ]    mass: 69.723000    reduced_to: 35  - symbol: Ga # 36    coordinates: [  0.145155870000000,  0.215492800000000,  0.753226080000000 ]    mass: 69.723000    reduced_to: 36  - symbol: Ga # 37    coordinates: [  0.854844130000000,  0.715492800000000,  0.746773920000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 38    coordinates: [  0.854844130000000,  0.784507200000000,  0.246773920000000 ]    mass: 69.723000    reduced_to: 38  - symbol: Ga # 39    coordinates: [  0.145155870000000,  0.284507200000000,  0.253226080000000 ]    mass: 69.723000    reduced_to: 39  - symbol: Ga # 40    coordinates: [  0.990811510000000,  0.059427180000000,  0.258787860000000 ]    mass: 69.723000    reduced_to: 40supercell:  lattice:  - [    17.233150340000002,     0.000000000000000,    -0.016207060000000 ] # a  - [     0.000000000000000,    13.900432260000001,     0.000000000000000 ] # b  - [    -5.231167710000000,     0.000000000000000,     9.585499670000001 ] # c  points:  - symbol: P  # 1    coordinates: [  0.132297590000000,  0.464372640000000,  0.779591390000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.632297590000000,  0.464372640000000,  0.779591390000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 3    coordinates: [  0.316820440000000,  0.681680810000000,  0.218377540000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 4    coordinates: [  0.816820440000000,  0.681680810000000,  0.218377540000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 5    coordinates: [  0.183179560000000,  0.181680810000000,  0.281622460000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.683179560000000,  0.181680810000000,  0.281622460000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 7    coordinates: [  0.444370315000000,  0.284158160000000,  0.725106530000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 8    coordinates: [  0.944370315000000,  0.284158160000000,  0.725106530000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 9    coordinates: [  0.055629685000000,  0.784158160000000,  0.774893470000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 10    coordinates: [  0.555629685000000,  0.784158160000000,  0.774893470000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 11    coordinates: [  0.055629685000000,  0.715841840000000,  0.274893470000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 12    coordinates: [  0.555629685000000,  0.715841840000000,  0.274893470000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 13    coordinates: [  0.444370315000000,  0.215841840000000,  0.225106530000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 14    coordinates: [  0.944370315000000,  0.215841840000000,  0.225106530000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 15    coordinates: [  0.105643895000000,  0.445616050000000,  0.255417650000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 16    coordinates: [  0.605643895000000,  0.445616050000000,  0.255417650000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 17    coordinates: [  0.394356105000000,  0.945616050000000,  0.244582350000000 ]    mass: 30.973762    reduced_to: 17  - symbol: P  # 18    coordinates: [  0.894356105000000,  0.945616050000000,  0.244582350000000 ]    mass: 30.973762    reduced_to: 17  - symbol: P  # 19    coordinates: [  0.394356105000000,  0.554383950000000,  0.744582350000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 20    coordinates: [  0.894356105000000,  0.554383950000000,  0.744582350000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 21    coordinates: [  0.183179560000000,  0.318319190000000,  0.781622460000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 22    coordinates: [  0.683179560000000,  0.318319190000000,  0.781622460000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 23    coordinates: [  0.105643895000000,  0.054383950000000,  0.755417650000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 24    coordinates: [  0.605643895000000,  0.054383950000000,  0.755417650000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 25    coordinates: [  0.132297590000000,  0.035627360000000,  0.279591390000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 26    coordinates: [  0.632297590000000,  0.035627360000000,  0.279591390000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 27    coordinates: [  0.367702410000000,  0.535627360000000,  0.220408610000000 ]    mass: 30.973762    reduced_to: 27  - symbol: P  # 28    coordinates: [  0.867702410000000,  0.535627360000000,  0.220408610000000 ]    mass: 30.973762    reduced_to: 27  - symbol: P  # 29    coordinates: [  0.367702410000000,  0.964372640000000,  0.720408610000000 ]    mass: 30.973762    reduced_to: 29  - symbol: P  # 30    coordinates: [  0.867702410000000,  0.964372640000000,  0.720408610000000 ]    mass: 30.973762    reduced_to: 29  - symbol: P  # 31    coordinates: [  0.316820440000000,  0.818319190000000,  0.718377540000000 ]    mass: 30.973762    reduced_to: 31  - symbol: P  # 32    coordinates: [  0.816820440000000,  0.818319190000000,  0.718377540000000 ]    mass: 30.973762    reduced_to: 31  - symbol: K  # 33    coordinates: [  0.244597435000000,  0.882588980000000,  0.934059610000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 34    coordinates: [  0.744597435000000,  0.882588980000000,  0.934059610000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 35    coordinates: [  0.244597435000000,  0.617411020000000,  0.434059610000000 ]    mass: 39.098300    reduced_to: 35  - symbol: K  # 36    coordinates: [  0.744597435000000,  0.617411020000000,  0.434059610000000 ]    mass: 39.098300    reduced_to: 35  - symbol: K  # 37    coordinates: [  0.255402565000000,  0.117411020000000,  0.065940390000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 38    coordinates: [  0.755402565000000,  0.117411020000000,  0.065940390000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 39    coordinates: [  0.393003735000000,  0.387326150000000,  0.972692050000000 ]    mass: 39.098300    reduced_to: 39  - symbol: K  # 40    coordinates: [  0.893003735000000,  0.387326150000000,  0.972692050000000 ]    mass: 39.098300    reduced_to: 39  - symbol: K  # 41    coordinates: [  0.493770465000000,  0.372003510000000,  0.463227420000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 42    coordinates: [  0.993770465000000,  0.372003510000000,  0.463227420000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 43    coordinates: [  0.106996265000000,  0.612673850000000,  0.027307950000000 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 44    coordinates: [  0.606996265000000,  0.612673850000000,  0.027307950000000 ]    mass: 39.098300    reduced_to: 43  - symbol: K  # 45    coordinates: [  0.393003735000000,  0.112673850000000,  0.472692050000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 46    coordinates: [  0.893003735000000,  0.112673850000000,  0.472692050000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 47    coordinates: [  0.212496805000000,  0.133010300000000,  0.599833510000000 ]    mass: 39.098300    reduced_to: 47  - symbol: K  # 48    coordinates: [  0.712496805000000,  0.133010300000000,  0.599833510000000 ]    mass: 39.098300    reduced_to: 47  - symbol: K  # 49    coordinates: [  0.287503195000000,  0.633010300000000,  0.900166490000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 50    coordinates: [  0.787503195000000,  0.633010300000000,  0.900166490000000 ]    mass: 39.098300    reduced_to: 49  - 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