# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e89f083d-ed75-46a0-be88-5f227b2aa173/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

[First-principles lattice thermal conductivity calculation for K4Sb2O5 / Pnma (62) / materials id 757850](https://mdr.nims.go.jp/datasets/2b3f74f5-651c-4ca8-888a-99f847b11bde)

## Fulltext

elements:      [K, Sb, O]cutoff:        8.0pair_type:     gaussianfeature_type:  gtinvmodel_type:    3max_p:         2max_l:         8gtinv_order:   3gtinv_maxl:    [8, 8]gtinv_sym:     [0, 0]gtinv_version: 1electrostatic: 0mass:          [39.1, 121.8, 16.0]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair:      [0, 0]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [0, 1]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [0, 2]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [1, 1]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [1, 2]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [2, 2]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full:    1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [7.232873710188608e+01, -2.135236980552862e+01, -3.096837982032308e-01, -4.532336360606888e+03, 1.327003401526675e-01, 2.744986957101952e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.299294806694586e+06, 0.000000000000000e+00, -6.553426838426649e+05, 0.000000000000000e+00, -2.139969151029398e+03, -7.371736033283466e+03, 3.115168560022389e+02, 6.817776664665472e+04, 0.000000000000000e+00, -2.901138564429387e+06, 2.419805504875619e+01, -1.346610186751244e+03, 3.810056432414588e+05, 0.000000000000000e+00, 0.000000000000000e+00, -6.541519673053000e+06, 0.000000000000000e+00, 4.287928819011832e+06, 0.000000000000000e+00, 1.220603190062706e+05, 2.688211702292150e+04, 3.340661997990255e+02, -1.052506692629024e+04, 0.000000000000000e+00, 3.255302153946017e+06, 3.577710074295216e+01, 3.641400632770587e+01, -9.676184506473648e+04, 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