# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2a827470-8861-4674-a8c8-1d529787177c/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 Pd(PbCl3)2 / P2_1/c (14) / materials id 28982](https://mdr.nims.go.jp/datasets/5cc4859b-9533-4777-bac2-f0d30e02b13b)

## Fulltext

elements:      [Cl, Pd, Pb]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:          [35.45, 106.4, 207.2]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: [-7.490029333039853e+01, -5.083723664318710e-01, 2.459209273724193e+01, 0.000000000000000e+00, 1.225258374188115e+03, -1.457461736046511e+06, -1.266710664030705e+06, 4.586871156330457e+04, -1.341685968378520e+06, 2.760589115409321e+02, 1.201122527632510e+04, 0.000000000000000e+00, 3.035298675894538e+06, -1.017918109811096e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.485756590779175e+06, -3.913141810394052e+04, -6.019477771122051e+06, -1.108186500028614e+03, -2.899868645667111e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.072752554444812e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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