# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c4c7c50c-3970-4bcf-9699-edb52d868c1a/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 Na3AsO4 / Pmn2_1 (31) / materials id 756044](https://mdr.nims.go.jp/datasets/e8d870e3-5208-4e74-a3bd-358b84c30514) ## Fulltext elements: [Na, 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: [22.99, 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: [1.450841300563327e+02, -4.608531932386746e+01, 1.679931105001629e-01, 0.000000000000000e+00, 1.803557296010599e-02, 1.702303898640030e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.735758147935992e+03, 0.000000000000000e+00, -1.518988586442687e+04, 0.000000000000000e+00, 4.263961682761956e+03, 7.661096117413659e+01, -5.260576888806561e+01, 1.628507448510040e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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