# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/50876dfd-e57c-400d-8794-26ab5a853149/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 TeO3 / Pnna (52) / materials id 754658](https://mdr.nims.go.jp/datasets/82f00e7e-2ece-4f82-9504-1e95c4c4794f) ## Fulltext elements: [Te, 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: [127.6, 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: 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: [2.223870935328267e+01, -1.042436669070723e+00, -3.107065367530175e+00, 7.310769500498385e+04, 5.628587009776214e+03, 1.392305849612062e+01, 9.133605138046190e+02, 6.820954382188720e+03, 5.535105646787967e+05, -2.613407952914841e+05, 2.003194956461130e+02, -9.161900705755078e+02, -1.718500138780161e+04, 8.963833863058720e+05, -1.580930647563117e+04, 6.451726776262539e+01, 1.377880168090810e+04, -6.264521697966064e+03, -1.924236173151549e+03, 1.947759828817416e+05, -1.602504566387285e+01, 1.324226226949549e+02, 2.981836579692500e+03, 6.789852710831043e+04, 5.440930813051636e+04, -2.413325129746372e+01, 1.620443252375654e+03, -1.530768856279675e+04, 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