# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/07ba2652-7b7b-42b1-951e-970aabec4f0c/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 ZrTlCuS3 / Cmcm (63) / materials id 7049](https://mdr.nims.go.jp/datasets/e963e23d-d985-4049-ab19-9b921aff029a)

## Fulltext

elements:      [S, Cu, Zr, Tl]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:          [32.07, 63.55, 91.22, 204.4]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: 10type_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:      [0, 3]  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:      [1, 3]  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]- atom_type_pair:      [2, 3]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [3, 3]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full:    1type_indices: [0, 1, 2, 3]n_coeffs: 116930coeffs: [1.066343466075699e+02, 1.342062843033620e-01, 3.474919674343598e-01, 3.324176077592264e+00, -1.748835869870678e+02, 2.983613333416204e+00, 7.647459799569653e-02, 3.621504564121422e+02, -5.314361212170808e+03, 1.093663636678150e+02, 0.000000000000000e+00, -2.206391531039193e+04, -1.758416853749933e+03, 0.000000000000000e+00, 3.894083365983354e+01, 5.912360011549327e+01, 8.210907806109233e+03, 2.703286127591814e+05, 3.101922039605518e+01, -1.771364422788927e+04, 3.128687352315316e+02, 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