# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3d54e801-5de5-4ca2-bc17-5b1dcc670fa9/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 Zn4As2O9 / P2_1/c (14) / materials id 29437](https://mdr.nims.go.jp/datasets/e7534c3d-8530-418b-bbfb-ccffde006725) ## Fulltext elements: [O, Zn, 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: [16.0, 65.39, 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: [4.191406208866216e+01, 5.016068703574454e-01, -3.386091797068053e-01, -1.697045638299457e+01, 5.652841637701554e+01, 1.925193126518941e+03, -8.599852040491149e+03, 1.906074640405490e+03, 1.576365002366151e+03, 2.253677317375341e+01, 4.372755891896274e+01, -7.910752982307350e+02, -1.471789651350954e+04, 1.152207595555081e+01, -5.768165022381028e+03, 4.397442702075013e+04, 5.430189305526785e+04, 3.597228394555403e+06, 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