# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3e36e240-4f04-4d8a-af2b-1b694b85f33d/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 YGaO3 / P6_3cm (185) / materials id 17853](https://mdr.nims.go.jp/datasets/a69b8717-db30-4ffb-80ca-48c3495c0165) ## Fulltext elements: [O, Ga, 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, 69.72, 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: [6.582805889073122e+00, -7.994971447082321e-03, 1.490709647005306e-01, -1.459846702440533e+02, 5.191237618836180e+01, 1.772626295520396e+03, -4.997851105050468e+03, 6.125256767449468e+02, 5.674802914247260e+03, 1.859381864942524e+00, 5.158626190416246e+01, -2.288198243003114e+04, -3.634016104994703e+03, 1.050254705877898e+02, 3.957378624670825e+04, 2.415063809810704e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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