# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5796bbd3-4513-4686-aa41-d0240f294bdd/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 Ti3PbO7 / P2_1/m (11) / materials id 504427](https://mdr.nims.go.jp/datasets/6ecc6300-b972-4c8e-a9c8-576e345ef493)

## Fulltext

elements:      [Pb, Ti, O]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:          [207.2, 47.88, 16.0]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: [5.376329344111790e+03, -8.282042826379678e+02, -6.078117671411063e+00, 1.493554473265170e+02, -2.607109185163679e+00, 1.203658489743265e+01, 0.000000000000000e+00, 0.000000000000000e+00, -8.169245760852663e+06, 0.000000000000000e+00, 1.200869197112190e+06, 0.000000000000000e+00, 2.594578295501667e+05, 4.785027181707365e+03, 3.321031507130442e+03, 2.727388524661518e+04, -1.807902711442764e+06, 3.359922945196620e+04, 1.244018696400864e+02, 2.574302797337430e+03, -2.460336169894466e+04, 0.000000000000000e+00, 0.000000000000000e+00, 4.096385462100632e+07, 0.000000000000000e+00, -6.771841366557995e+05, 0.000000000000000e+00, 3.799468221639001e+05, -2.602286197069274e+03, -5.246649080473238e+03, 6.795641493224914e+04, 2.170955944070436e+07, -2.144684729181009e+05, -2.313887309319238e+02, -1.982019132305073e+04, 7.693612301820870e+04, 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