# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/28110fc1-ad4c-4604-a9b2-db0e0cbf2796/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 ZrO2 / Pnma (62) / materials id 755759](https://mdr.nims.go.jp/datasets/caa04b69-1526-4f44-a15a-5c85b19a2c71) ## Fulltext elements: [Zr, 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, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [2.318915433094996e+03, 5.366398260563207e+00, 2.037976830001941e+01, 0.000000000000000e+00, 1.225577548568189e+03, 1.836138643740446e+02, 3.231150249105063e+03, -1.034104998660462e+04, 0.000000000000000e+00, -3.372667199112136e+06, 4.145326324897970e+02, 4.658645856948111e+02, 1.438718677517726e+04, 0.000000000000000e+00, -2.156642253466056e+04, 7.485358563022374e+02, -9.659518891889429e+03, 3.803390611305502e+04, 0.000000000000000e+00, 1.044694124370874e+06, -1.518495471350035e+01, 1.731289837837121e+03, 1.068449792888442e+04, 0.000000000000000e+00, 9.993406060185507e+05, -1.721677208527063e+02, -6.209609188264011e+02, 2.507814596178008e+03, 0.000000000000000e+00, 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