# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6cb4a7bc-d6f5-4897-a470-ffcf98482867/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 Tm2S2O / P2_1/c (14) / materials id 8763](https://mdr.nims.go.jp/datasets/493a2ed7-7c0b-4c84-8a24-dc29ec542415) ## Fulltext elements: [O, S, Tm]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, 32.07, 168.9]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: [7.974011316120698e-01, 1.736449659710067e+01, -4.538563624914467e-01, 4.612764525118475e+01, 5.529262771753415e+00, 7.709968076465794e+02, 5.498423680517480e+00, -1.034626226776397e+05, -4.012996633972372e+02, -5.656645944621953e+05, 2.270597668048704e+04, 3.836364549302296e+06, 3.317426772827022e+05, 6.865376697959471e+01, -1.635121211676173e+03, 6.117179624416072e+04, 7.629092578771131e+05, 2.581038888436781e+05, 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