# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2e1b0ac1-5734-4ac9-80f4-42ecf5c913e3/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 Na5GeP3 / P2_1/c (14) / materials id 4172](https://mdr.nims.go.jp/datasets/e368f60a-44eb-44f7-b370-2070694ce55e) ## Fulltext elements: [Na, P, Ge]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, 72.61]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: [3.067396205432339e+01, 1.632265320537538e+01, 1.559297967980243e+01, -1.103366729570538e+03, -2.851210150910934e-01, -9.110774115795012e+01, -2.290216461296770e+05, -5.593893926834068e+05, -9.396350718018657e+05, -2.501676566699264e+04, -1.861427827300495e+06, -3.038796660609980e+07, -7.898304156576022e+03, 3.066606642408331e+06, -1.120169216614004e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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