# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ca7df118-5331-421c-9e13-d4b78aa607d3/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 ScIO / C2/m (12) / materials id 559760](https://mdr.nims.go.jp/datasets/35a00f39-61f0-40a2-96ba-5ef7ad26ccd4) ## Fulltext elements: [Sc, I, 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: [44.96, 126.9, 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: [9.740926026831256e+01, 1.091382427824995e+01, -3.563387116683582e-01, -1.076579411745573e+05, -1.903392050298606e+00, 7.060840606731402e+00, -2.596872440466272e+06, -1.571169417204790e+06, 2.166631181415364e+03, -3.535838009794780e+05, -3.423431472856633e+03, 0.000000000000000e+00, 1.029819705979579e+07, -1.233769647394909e+01, 5.810296296973757e+04, 6.460985745111541e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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