# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/93c44f7a-19e9-4bec-be1e-327d42441503/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 Rb2P3 / Fmmm (69) / materials id 2079](https://mdr.nims.go.jp/datasets/e5f62e4d-f843-4b51-9535-92a0b01d59c8) ## Fulltext elements: [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: [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: 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: [-8.924799473499593e-01, 3.683590869561721e+02, 1.697177283731308e+05, 1.373655446747773e+02, 7.557224785688009e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.491441314297484e+02, -4.099057738081641e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.447823368432073e+02, 4.005795190184782e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.334899344815452e+01, -2.047849728062543e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.792028993867097e+02, -2.749706660727195e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.364277674544218e+01, 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