# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/05e85762-7dbe-450f-b30c-1d4aecb9b659/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 RbPO3 / P2_1/c (14) / materials id 4135](https://mdr.nims.go.jp/datasets/f838fca8-7911-4f48-ac57-01acb482e8cd) ## Fulltext elements: [O, P, Rb]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, 30.97, 85.47]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: [5.569855318816094e+00, -4.322213604265479e-01, -2.112322388626384e+01, 3.488192975156220e+01, 6.311232290304862e+02, 1.030402741082157e+04, 1.949027089652698e+03, -5.279649770949614e+01, -1.221033948476940e+05, 5.705977752143883e+00, -2.362719808381305e+03, 5.077588223329101e+02, -1.015643372490902e+05, 5.979357058736695e+04, 0.000000000000000e+00, 0.000000000000000e+00, 2.310252656701779e+05, 0.000000000000000e+00, 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