# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bf7758e5-2ab7-4888-bc6a-13e815ec3918/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 Zr2SN2 / P-3m1 (164) / materials id 553875](https://mdr.nims.go.jp/datasets/01017cd2-0a01-4cdc-bc13-ddd2d66a1484) ## Fulltext elements: [Zr, S, N]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: [91.22, 32.07, 14.01]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: [1.033191088669331e+02, 8.912694838743483e-01, 2.185529996949783e-01, 2.615427044509378e+02, 1.581247103174543e+00, 8.429831386716552e-01, -2.999139491846014e+06, 5.483775328099421e+05, 4.961798726346600e+03, -3.829564583754687e+02, -5.993033741582698e+02, -1.298106419303613e+06, -7.313215750778996e+03, 5.072238508086112e+01, 2.045874219139480e+03, 1.950185131277253e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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