# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f59736d8-0b58-4300-94d9-51031e22886c/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 HoScO3 / Pnma (62) / materials id 31121](https://mdr.nims.go.jp/datasets/7cbf575f-3c3a-40c4-80ff-fb53d698547a) ## Fulltext elements: [Ho, Sc, 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: [164.9, 44.96, 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: [1.705619678825233e+02, 2.726137881944805e+01, 3.656331429084163e-01, -3.651903080577428e+02, -5.211710023378518e-02, 9.544853785740894e+00, 0.000000000000000e+00, 0.000000000000000e+00, -5.201137176482950e+05, -2.199330183509371e+05, 3.816960253174410e+04, 0.000000000000000e+00, 8.762612991967154e+02, 1.280855763856434e+02, -1.971744330248947e+02, 1.459753143975364e+04, 0.000000000000000e+00, 6.837338580379366e+05, 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