# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b19b8cf0-9861-4d94-a3ed-5984bf219768/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 / Pbca (61) / materials id 776404](https://mdr.nims.go.jp/datasets/57745c82-2a15-4dc2-a784-40075fec2a84) ## 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: [1.808193152776956e+03, 2.025857321540947e+00, 1.176859795271518e+01, 0.000000000000000e+00, -2.176970129652320e+04, 2.866321177480673e+02, 3.139030846444188e+03, -7.127626244277038e+03, 0.000000000000000e+00, -4.569852434175338e+05, 3.011908108543295e+02, -8.756256445836767e+03, 4.488924000132205e+04, 0.000000000000000e+00, -5.401366621677486e+05, -1.420347467872857e+02, 9.000587132622923e+02, 3.330817380475459e+04, 0.000000000000000e+00, -8.391106991150089e+05, 1.016033109857677e+02, -6.015406362258583e+02, -1.861616158222387e+04, 0.000000000000000e+00, 1.151943529718426e+06, -1.178600146428953e+02, -1.053971624039080e+03, 1.952609381590729e+03, 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