# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cdd02bb4-2f77-41d1-9fee-0f2838d3b671/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 HfGeO4 / I4_1/a (88) / materials id 9755](https://mdr.nims.go.jp/datasets/d0487a59-4dab-471e-9351-7cf59affa090)

## Fulltext

elements:      [O, Ge, Hf]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:          [16.0, 72.61, 178.5]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: [1.282557338703129e+00, 6.872855985959252e-02, 5.600297950362616e-02, 9.496554476351004e+02, 7.143300339893001e+02, 3.889751245356022e+02, -4.270355237779074e+02, 4.169930857425063e+02, 5.025855698790227e+01, 2.546085538525103e+00, -2.650364926819922e+01, 2.546637830858005e+03, 3.304339114376217e+03, 2.224811385709331e+01, 8.472384040795523e+04, 1.053092734116117e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.333791605114661e+03, 1.113009985700179e+02, -3.146674710669385e+00, 2.245660794396627e+01, 1.247179626383595e+01, 9.189793919782294e+05, 2.067858171115893e+05, -1.154732382426507e+01, -4.133117394770502e+05, -4.716309162393747e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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