# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/de74be4b-33f0-45dd-b808-779aeff5d14e/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 NbPO5 / P2_1/c (14) / materials id 542453](https://mdr.nims.go.jp/datasets/3d79bd7a-7816-4d7a-bad3-050ed6ad824b) ## Fulltext elements: [Nb, 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: [92.91, 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: [4.503645308792184e+03, 5.751937623939166e+02, 1.007352942309420e+00, -1.238981555135545e+06, -1.485454677849055e-01, 4.944590560280287e+00, 0.000000000000000e+00, 0.000000000000000e+00, -5.958812823008705e+05, 0.000000000000000e+00, 3.118360080525639e+05, 0.000000000000000e+00, -4.260739747101029e+04, 8.177883603531633e+01, 7.199506335169568e+01, -3.912060046572224e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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