# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5f9e0f51-2d6b-4576-a246-c0686f24b68f/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 Na5SiAs3 / P2_1/c (14) / materials id 18139](https://mdr.nims.go.jp/datasets/9487e81d-ea91-49fe-badc-f25f02ec2701) ## Fulltext elements: [Na, Si, As]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, 28.09, 74.92]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: [5.125208893387751e+01, 4.501314111459423e+01, 2.470834718507636e+01, -9.342405622145078e+00, -1.022532773527620e-01, 1.185558601160099e+02, -3.488711377763633e+06, 0.000000000000000e+00, 1.096221925921741e+06, -7.563101135870569e+06, -5.612935224508978e+06, 0.000000000000000e+00, 3.616284404054410e+04, -8.275874226779590e+04, -7.881170260002657e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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