# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/accca5ca-a21e-498b-9c14-5d2a603ba808/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 Na3PO4 / Pmn2_1 (31) / materials id 674333](https://mdr.nims.go.jp/datasets/13bbfbd8-ef33-4f8d-b5e1-31b794903f5e) ## Fulltext elements: [Na, P, 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: [22.99, 30.97, 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: [3.077588035971631e+01, -1.065178060738703e+00, 8.231549508171222e-02, 0.000000000000000e+00, -2.914112907117609e-03, 3.979137035802141e-01, 7.397714754033509e+05, 0.000000000000000e+00, -2.156473126042894e+04, -6.356202976934087e+06, 4.437978920292322e+03, 0.000000000000000e+00, 9.389803781180144e+02, 5.923194603453461e+01, -2.993979369278967e+01, 7.568318189568701e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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