# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6a1796c7-6b7b-40af-b9a9-0852e7aa7b48/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 Y2TiO5 / Pnma (62) / materials id 17559](https://mdr.nims.go.jp/datasets/d9048a0d-16ea-4da6-b0bd-c310654e72ae)

## Fulltext

elements:      [O, Ti, Y]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:          [16.0, 47.88, 88.91]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: [-3.440153322275512e+00, -7.966738953001281e-01, 6.531632148047272e-01, 2.112356118391035e+04, -1.221281234700804e+02, 2.707145384479277e+03, 2.699908709425455e+02, 7.919100770216538e+02, 5.098245735486787e+03, 2.282554415992291e+01, -2.359199693800454e+01, 1.270854087976230e+06, 4.336243536289795e+04, -1.360465716637539e+02, 6.354281490822935e+04, -6.571513153999905e+05, 0.000000000000000e+00, 0.000000000000000e+00, 7.583186482386397e+07, 0.000000000000000e+00, 0.000000000000000e+00, 3.834180167710994e+04, -2.520861339124499e+03, -1.097149966730797e+04, 1.782523718035713e+02, 4.525526583733346e+01, -2.258717662249716e+07, 3.773435559466106e+03, 3.479127379378326e+03, -1.406925586147178e+06, -1.152940178618830e+06, 0.000000000000000e+00, 0.000000000000000e+00, -4.193540100096899e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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