# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/71b156fb-65da-4fd0-b5c7-4ea1085e06b8/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 ThCl4 / I4_1/a (88) / materials id 567431](https://mdr.nims.go.jp/datasets/8440ca08-4a39-49b4-bcbc-73477a8b2e14) ## Fulltext elements: [Th, Cl]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: [232.0, 35.45]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [0.000000000000000e+00, 2.232124564542996e+01, 1.983016898016567e+02, 0.000000000000000e+00, 0.000000000000000e+00, -2.647741639811999e+04, 3.203066313920810e+05, -1.880543101398220e+07, 0.000000000000000e+00, 0.000000000000000e+00, 1.501264600253000e+05, 2.162748971275124e+06, -1.625392431374850e+07, 0.000000000000000e+00, 0.000000000000000e+00, 6.479217166633747e+04, -1.216936521201340e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.847960891240269e+04, -2.054567310114478e+06, 4.609864609955463e+06, 0.000000000000000e+00, 0.000000000000000e+00, 2.419056364477259e+04, -1.418798174031318e+05, -2.963804828182627e+06, 0.000000000000000e+00, 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