# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/169991ec-759b-4526-bba1-780b69e68f88/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 TmCuS2 / Pnma (62) / materials id 12455](https://mdr.nims.go.jp/datasets/6051a385-470c-44df-8da4-b4c6509426d2) ## Fulltext elements: [S, Cu, 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: [32.07, 63.55, 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: [1.193642978391352e+03, -2.682232473223864e-02, 2.050698891486674e+00, -4.721367725732604e-01, 8.321625459211537e+00, 2.808605825200820e+03, 0.000000000000000e+00, 1.507846202931415e+05, 3.205656669877637e+06, 5.396449681158145e+01, 1.744279328546831e+03, 5.173344163729531e+02, -9.738869355494466e+03, -7.867715976090650e+02, -1.671624601619226e+04, 0.000000000000000e+00, -1.833283944112864e+03, 1.198956802508276e+04, 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