# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ed5e8513-7bc9-498c-9614-fc27f2ea535a/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 CaHfO3 / Pnma (62) / materials id 754853](https://mdr.nims.go.jp/datasets/0bd5411b-0256-4d19-a627-a9f36777258b) ## Fulltext elements: [Ca, Hf, 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: [40.08, 178.5, 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: [-2.312594394760434e+03, 3.236253572191866e+01, 3.611008899630923e-01, 1.674996458264791e+04, 3.179514832996766e-02, 1.048729702573619e+01, 0.000000000000000e+00, 0.000000000000000e+00, 4.758448809331257e+06, -3.041923318579006e+06, 5.522880521186933e+04, 0.000000000000000e+00, 2.240114418217139e+03, -6.711342894236260e+01, -1.467952547476756e+02, 3.695174578925949e+03, 0.000000000000000e+00, 8.493013039990572e+06, 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