# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bec0221c-224b-4873-bb86-65c7f9dc7144/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 / P4_2/nmc (137) / materials id 2574](https://mdr.nims.go.jp/datasets/0a6eb3f4-a0f0-43ab-ae69-0e934fa2dba5) ## Fulltext elements: [O, Zr]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, 91.22]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: [5.711864031186536e+00, 6.162366228021031e-01, 4.310228447735751e+02, 8.379615884775016e+02, 7.689417041318674e+03, 5.192549133330767e+01, 1.677918272653855e+05, 0.000000000000000e+00, 4.983002911346471e+03, -8.165736633679488e+03, -2.970237310407793e+02, -2.779150405021905e+06, 0.000000000000000e+00, 1.388933140136204e+04, 6.687950459346229e+02, 1.648940520173931e+02, -4.761044176726248e+06, 0.000000000000000e+00, -7.512532605504501e+03, 1.453771238584058e+03, 9.407513377518139e+00, 2.275189816499316e+06, 0.000000000000000e+00, -3.458850473046646e+02, 1.307852384229829e+02, -1.012016540058957e+02, 1.024547808365630e+06, 0.000000000000000e+00, -1.002818249480453e+04, 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