# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/87274f07-aab3-4fe0-ab7d-f30350412d17/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 BaZnO2 / P3_121 (152) / materials id 4236](https://mdr.nims.go.jp/datasets/443cb001-a815-4890-9cc3-2ed0e3a84968) ## Fulltext elements: [O, Zn, Ba]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, 65.39, 137.3]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: [1.228686307155388e+01, 1.306875546185578e-02, 1.166032257035775e+00, 1.177156064411050e+03, 2.521263249518947e+01, 7.621042315746558e+02, -2.614999176297349e+04, 1.764512106950990e+03, 2.188950544630291e+04, 1.473266421071822e+01, 8.680617471982621e+02, 3.447886992372769e+05, 1.105497716727544e+03, -2.208997582345004e+03, 9.172409944772819e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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