# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/20e15fd4-60fd-47e1-a2b7-216fc960a427/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 Na2PdF4 / P2_1/c (14) / materials id 3622](https://mdr.nims.go.jp/datasets/b6168c3f-657d-4199-8701-d181a59d9b82) ## Fulltext elements: [F, Na, Pd]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: [19.0, 22.99, 106.4]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: [4.321210193390656e+00, 5.985974487766193e-02, 1.643771532642428e-01, 2.351163520263927e+01, 2.710520739677588e+00, -2.366555907075685e+02, 1.363319276309718e+04, -2.194136751362513e+03, 6.882133509374243e+02, 7.448634695293522e+01, -1.899093096733304e+02, -1.841026390219791e+04, 2.488167160695933e+04, 1.685983352548101e+01, -2.433334807511959e+03, -4.513570053739054e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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