# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8daa0e91-a0ad-4256-ba11-b339344fd88d/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 Er2SiO5 / C2/c (15) / materials id 555983](https://mdr.nims.go.jp/datasets/31580b39-7087-4eb8-9810-09420e139233) ## Fulltext elements: [Er, Si, 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: [167.3, 28.09, 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: [1.425011545607949e+03, 8.926219939091985e+01, 1.920807565699989e+00, 4.484306643845523e+03, -2.752952942160696e-01, 3.888078199543256e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.447148953358768e+05, 1.424205611084984e+06, -5.455933866521450e+04, 0.000000000000000e+00, 1.310650427404590e+03, 1.054591204510588e+02, -4.954570255450020e+02, 1.220437685452711e+04, 0.000000000000000e+00, 7.228797879056641e+05, 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