# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9b107032-3dd8-4b4a-8ce8-f7b276a328a6/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 Tb5C2Br9 / P2_1/c (14) / materials id 30229](https://mdr.nims.go.jp/datasets/4d40d8ed-29d0-4894-acfa-f9ed4bac9b94)

## Fulltext

elements:      [C, Br, Tb]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:          [12.01, 79.9, 158.9]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: [5.597622322296242e-02, -1.584166630309182e+03, 1.993418369589398e+00, 3.507046194062075e+02, 1.244282159988420e+01, 8.380868313415780e+01, 6.697062548723882e+00, 2.169916722908978e+04, -1.519146103776427e+00, 0.000000000000000e+00, 9.682571673192435e+05, 0.000000000000000e+00, -2.021351351147547e+07, 1.420814540403434e+03, -7.702336610588400e+03, 8.855944207006750e+04, 0.000000000000000e+00, 1.420107189609714e+07, 2.299091489893184e+03, -5.636513518992841e+06, -4.170684828659441e+07, 3.864328059455725e+00, 9.473745128832648e+04, -2.386457149529873e+02, 0.000000000000000e+00, -3.904218388370793e+06, 0.000000000000000e+00, -3.939499804918210e+07, -6.251643278321046e+02, 2.573472616480543e+04, 4.093807220007133e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.659732634538307e+04, 8.142390217684332e+06, -4.704068923325359e+07, 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