# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dceec427-304a-4e0e-861c-4a0fb01c1317/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 Zn(RhO2)2 / Fd-3m (227) / materials id 5146](https://mdr.nims.go.jp/datasets/ae14b1c5-bc1b-49bd-99bb-125c56d01308) ## Fulltext elements: [O, Zn, Rh]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, 65.39, 102.9]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: [3.825242375683818e-01, 2.369951645560761e-02, 3.041902397250779e-02, 3.952002257143060e+02, 7.014003770356370e+00, 1.417671961859228e+01, 8.663030623667485e+02, -4.921274621511332e+02, -1.991941229400939e-01, 2.256563193789447e+00, 3.044883364517776e+00, 2.484912239165169e+04, 4.596954272762861e+02, 2.304188097016036e+00, -8.756206648725327e+03, 1.575276166325876e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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