# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6c90da9e-62f3-4f1b-8346-9025c009fbd9/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 NaPO3 / Pnma (62) / materials id 555118](https://mdr.nims.go.jp/datasets/abda7704-0f0d-4c78-bbe8-30c7997e524d) ## 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: [-7.412624389008251e+01, 7.512842241006564e+01, -7.806606957450800e-01, 1.090172193290018e+01, -2.195221278471605e-01, 5.432167486601526e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.318379309010350e+03, -5.345764267172898e+06, 2.925663762397415e+04, -4.219907338881526e+06, 1.476232902836015e+03, -3.484339281096031e+02, -2.955946689853257e+02, 4.102621405877207e+02, -2.089263491522339e+04, 8.715859812697394e+01, 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