# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/92937bfe-e596-45c1-a48c-0fc73f4097df/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 ZrSeO / P2_13 (198) / materials id 756361](https://mdr.nims.go.jp/datasets/b385500a-7ed0-4146-b334-072236c32ff2) ## Fulltext elements: [Zr, Se, O]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, 78.96, 16.0]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: [5.205424301703384e+02, 2.107007413691427e+00, -1.496928108690789e-01, -2.670835766514687e+02, 6.620900404868185e+01, -1.010851676162748e+03, 0.000000000000000e+00, 1.765050780257159e+06, 4.109557358704691e+04, -6.808677716415550e+03, -3.172306244073268e+02, 3.634830104079673e+06, 2.030010763736169e+04, 2.509140044005400e+01, 2.817290389379631e+04, -2.073553695362532e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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