# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/11ef53db-8283-4f18-834e-280644720562/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 Lu2SiO5 / P2_1/c (14) / materials id 18195](https://mdr.nims.go.jp/datasets/a0f5bf76-74d2-4173-be57-ec4ec20fc9b6) ## Fulltext elements: [O, Si, Lu]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, 175.0]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: [9.319214972152952e+00, -3.261683606407112e-01, 1.416570741522627e+00, 1.471889215694895e+03, 5.980059885838403e+01, 9.643104736508673e+02, -1.198470320939249e+03, 1.235062774522372e+03, 3.409774224381053e+03, 6.882140499295238e+00, -8.729439385729651e+02, -3.097897154050623e+04, 1.520622153502667e+03, 1.258110272781670e+02, -1.789755449108052e+04, -4.806636652653808e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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