# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/afbe851f-6ac0-40dd-bd1f-57626bb98ede/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 Sm2ReO5 / P4/n (85) / materials id 17741](https://mdr.nims.go.jp/datasets/1d9554fe-dfb7-4401-ad00-3d1cdf048f36) ## Fulltext elements: [O, Sm, Re]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, 150.4, 186.2]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: [3.449392687384730e+00, 1.171441183443912e+00, 1.311801133198579e-01, 3.740882626800262e+02, 4.948283095462139e+01, 6.465898175396834e-01, 3.290916250492248e+03, 4.081572195146036e+02, -3.405808352854201e+02, 8.175422832061167e+01, -2.964132125438638e+01, 7.061684929790958e+04, -1.261320747561016e+05, 9.892169701409911e+00, 9.222677778086518e+03, 2.739684146107121e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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