# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b4032674-b131-4108-ac24-61ebdf42a6f0/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 Sb4O5F2 / Pnma (62) / materials id 759707](https://mdr.nims.go.jp/datasets/c5ea97e0-dda7-4411-a70d-f5e19caa8add)

## Fulltext

elements:      [Sb, O, F]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:          [121.8, 16.0, 19.0]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: [6.391360227340708e+02, 1.809713839934938e-01, 1.353932105841779e-01, 5.764911141542784e+00, 2.055995554319622e+00, 1.173419907157047e+05, 0.000000000000000e+00, 5.373012947923937e+03, 1.288548712259629e+05, 2.805282214970401e+01, 3.673016757519150e+00, 1.526430408890769e+03, -2.937729969769575e+02, 8.840703644024966e+01, -7.613405090681937e+01, 0.000000000000000e+00, -1.029375541357619e+04, 5.693517912602805e+04, -1.006348974191415e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.115014921850860e+05, -2.990150656390855e+05, 2.479475016314855e+01, -7.149479439010430e+02, -5.723974610292288e+03, 5.903353838793697e+01, 7.314101633139408e+00, 1.520642658426812e+03, 0.000000000000000e+00, -1.733802340100227e+04, -9.761103505277059e+04, -3.989895582665735e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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