# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/68dfab31-0b2a-451a-8641-b5e17c765594/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 SrHfO3 / Pnma (62) / materials id 3378](https://mdr.nims.go.jp/datasets/9a09e66c-2688-4937-aa26-cddac52e2e1a) ## Fulltext elements: [O, Sr, Hf]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, 87.62, 178.5]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: [1.204768348257500e+01, 5.767733937238407e-01, 3.095430986839343e-01, 1.454194748604107e+03, -4.079791454123763e-01, 9.453442381912475e+03, 1.179960105307448e+04, 7.527321701395161e+02, 6.287215337766951e+01, 4.573605942768918e+02, -1.815238826279573e+02, 0.000000000000000e+00, 1.608961350387643e+05, 2.813153582130415e+01, 5.837796845350127e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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