# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cabeb6bf-189a-4b4d-ab90-8feb10dac1fd/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 Na2ZnCl4 / Pnma (62) / materials id 616461](https://mdr.nims.go.jp/datasets/a1c3805f-424d-4a2b-9bf7-b1c83f959b03)

## Fulltext

elements:      [Na, Zn, Cl]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, 65.39, 35.45]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: [4.709830566413759e+04, 1.058994572701918e+02, 5.969140802774531e+00, 0.000000000000000e+00, -1.239590925300933e-01, 5.258694393261467e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.486308004979418e+05, 0.000000000000000e+00, -8.527950376656759e+04, -3.178332383000347e+02, -4.365075925747419e+03, 1.383044836716088e+06, 0.000000000000000e+00, 0.000000000000000e+00, 1.076029570469345e+02, 4.355160463851828e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.465890442191241e+05, -1.910150644581344e+04, 5.554338442424195e+03, -1.000034095257982e+07, 0.000000000000000e+00, 0.000000000000000e+00, -4.856227643125238e+00, -6.943173825465073e+04, 0.000000000000000e+00, 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