# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/82f50fc8-3d43-4577-bf97-412e684a0eec/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 TiSnO4 / Cm (8) / materials id 753048](https://mdr.nims.go.jp/datasets/07b890c6-2274-44f1-a6d8-6d882c1d429f) ## Fulltext elements: [Ti, Sn, 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: [47.88, 118.7, 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: [2.918153106293563e+00, 6.087241590328908e+01, -5.350553673557068e-01, 7.265394469569856e+01, 2.910648804222492e-01, 9.137567594603515e-01, -4.231444276388412e+04, 7.970005285131737e+05, -2.435817650523053e+03, -3.661878034474451e+06, 1.064709969815396e+04, 0.000000000000000e+00, -1.610340081945131e+02, 3.464128968002027e+01, 1.020735306514319e+01, 4.837205369994609e+02, -1.636574925522221e+06, -1.592589304539356e+04, 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