# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/314bb743-3074-4273-a550-6e9ebf6f8e8e/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 LiGaI3 / P2_1/m (11) / materials id 29345](https://mdr.nims.go.jp/datasets/9951ded3-f5cc-4b1f-adea-ca39604626f2)

## Fulltext

elements:      [Li, Ga, I]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:          [6.941, 69.72, 126.9]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: [0.000000000000000e+00, -4.343386290231565e+01, 9.572325085655196e-02, 1.134422537091562e+00, 2.079990272171698e+00, -5.796219692326733e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -8.965323882293736e+05, 1.484003334267747e+06, 1.492124099761911e+04, -3.927441546390756e+04, 0.000000000000000e+00, 4.671038979051631e+02, 4.469363735169323e+03, 1.667324555699555e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -5.027368342022913e+03, 0.000000000000000e+00, 2.304304445869605e+05, 7.954235725028002e+04, 0.000000000000000e+00, 2.697029558341806e+02, -6.898907954046815e+03, -2.106423050274830e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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