# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4bd4e0c0-832e-4c9d-a33d-f070c84077cb/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 La2Si2O7 / P2_1/c (14) / materials id 5732](https://mdr.nims.go.jp/datasets/93e360ac-85f5-4cfe-8e30-83a87f6fca07) ## Fulltext elements: [O, Si, La]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, 138.9]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: [4.059102171816109e+00, -1.687217097205985e-01, 1.654940165375613e+00, 9.276748437569887e+00, 7.250106273974826e+01, 1.040285137311801e+04, 2.635521866805603e+03, 5.544097041965100e+01, 2.746394122062272e+04, 2.509913353007884e+00, -3.744226165370451e+01, -2.404742901709883e+02, -1.270086397826163e+03, -1.026377610317561e+03, 7.576397672644896e+04, 0.000000000000000e+00, 4.118076329967275e+04, -2.547045150011846e+06, 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