# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d1af0203-72b1-4560-84d5-ec1ca6f495bb/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 NdPO4 / P2_1/c (14) / materials id 3584](https://mdr.nims.go.jp/datasets/f509de28-f17a-4f7e-bca7-0863187dac6c) ## Fulltext elements: [O, P, Nd]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: [16.0, 30.97, 144.2]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: [1.406711270667931e+00, -7.259008028913717e-02, 1.218306997636561e+00, 1.103222763027667e+04, -6.140531451904323e+01, 7.034274044185931e+04, -4.483243437397172e+02, 1.196388490732470e+02, 6.576790876497776e+03, 1.651448375718338e+00, -2.420074138224686e+02, -1.379993296528437e+06, 2.597507480999435e+02, -4.347641633284467e+02, 2.052103001438692e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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