# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ca43e800-155d-4e6c-a4c0-99f1dc0c7c0d/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 Ho2Si2O7 / Pnma (62) / materials id 18662](https://mdr.nims.go.jp/datasets/738d1759-1e33-4fc2-87c5-96cb786e569e) ## Fulltext elements: [O, Si, Ho]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, 28.09, 164.9]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: [5.998119494891291e+00, -1.161472885918921e-01, 5.172485242576301e-01, 2.548240449574787e+01, 3.687257125123640e+01, -7.938371228253164e+02, -6.797760198587288e+02, 1.101422787704278e+02, 6.664548663068379e+03, 3.127385683254742e+00, -2.449027192891782e+01, 1.625055328122342e+03, -1.595103717913405e+03, 1.133417489636075e+02, 1.104927479865548e+04, -1.001734850501044e+05, 0.000000000000000e+00, 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