# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c1119adc-2a28-4465-a8f7-74b4d1975470/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 Sm2TeO2 / I4/mmm (139) / materials id 16033](https://mdr.nims.go.jp/datasets/f04b7d6a-d4c0-4484-9386-eac23776474d) ## Fulltext elements: [O, Te, Sm]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, 127.6, 150.4]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: [6.060894172008461e+00, 3.781311630783909e+02, 7.235800366038819e-02, 1.264427737207763e+03, 1.050370367206840e+01, 1.447885797646770e+02, 6.937065162614002e+03, 0.000000000000000e+00, -7.771548187018317e+01, 0.000000000000000e+00, 6.846840323191226e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.454906908969808e+01, 3.656101632628428e+04, 1.316798827026538e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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