# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/261f55a2-9000-4554-8c58-583bc763d132/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 Cs3BAs2 / C2/c (15) / materials id 573658](https://mdr.nims.go.jp/datasets/2e0631d0-e56a-4434-8cc1-9e1d5711c1df)

## Fulltext

elements:      [Cs, B, As]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:          [132.9, 10.81, 74.92]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: [3.961144916786705e+02, 2.086004141393615e+01, 9.420083368345742e+01, 0.000000000000000e+00, 5.024601966913464e-02, 1.806405418605749e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.885699250739295e+03, 0.000000000000000e+00, 8.633852751976956e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.967566681868174e+00, 1.738885507733351e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.169171695775999e+05, 0.000000000000000e+00, -2.205336377878425e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.733572293733509e+01, 1.072781639433242e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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