# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/817abb35-09cb-4b9a-b55d-d0459bd4b175/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 As2Pb3O8 / P2_1/c (14) / materials id 505368](https://mdr.nims.go.jp/datasets/2ffdedaf-c96b-4e6c-ab63-b3595bcf0173) ## Fulltext elements: [Pb, As, 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: [207.2, 74.92, 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: 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: [2.175538908084114e+03, 1.199913008408110e+02, -5.725191034348454e-01, 2.045818765114155e+04, -4.157112901443526e-02, 8.367284270746444e+00, 0.000000000000000e+00, 0.000000000000000e+00, -8.002416117922405e+06, 0.000000000000000e+00, 5.980099950011469e+05, 0.000000000000000e+00, 3.324308507357679e+03, -4.506036408072914e+02, 2.840658521436735e+01, -3.875411433748143e+03, 0.000000000000000e+00, 1.421652369943734e+04, 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