# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7ac33927-7896-4379-88ee-ac76e355f485/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 Na2ZnS2 / Ibam (72) / materials id 8257](https://mdr.nims.go.jp/datasets/5ae0efb5-e951-4a3d-b989-fa32ad1b6ef6)

## Fulltext

elements:      [Na, S, Zn]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:          [22.99, 32.07, 65.39]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: [7.558633451830673e+01, 2.373826670755378e+00, 2.577804118305845e+00, 1.935683048312288e+02, 4.598834036058635e-02, 1.538309717793408e+00, 0.000000000000000e+00, 1.299024714814988e+05, 0.000000000000000e+00, 3.325787308721689e+02, 4.256047156138925e+04, 0.000000000000000e+00, 4.638842298652339e+02, -5.350398994178770e+04, 9.461932014375456e+01, 7.021818596155230e+04, 0.000000000000000e+00, 2.012915470813611e+04, 2.513021246510712e+01, -2.073362526534088e+02, 4.877599516754122e+04, 0.000000000000000e+00, 2.565754006336348e+06, 0.000000000000000e+00, 2.893984503768695e+03, -1.439473991992887e+04, 0.000000000000000e+00, 6.827815276065746e+01, 2.106090463240534e+05, -5.939659293384086e+04, -2.227749772788847e+05, 0.000000000000000e+00, 2.635158256001968e+02, 1.641216334140959e+02, -2.033405436311587e+04, -2.379473947028267e+04, 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