# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3d0b3ceb-81f7-4bc4-9f6b-af05f16b269a/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 Lu2Si2O7 / C2/m (12) / materials id 7193](https://mdr.nims.go.jp/datasets/b04ef5a6-0fab-4309-afa8-46ef8852b1c7) ## 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: [1.251229372530888e+01, -1.036467403624687e-01, 5.192590601592474e-01, -7.505097119609759e+00, 1.068348173690472e+02, 1.819140295023552e+02, -1.529775991548105e+02, 4.289284194575844e+01, 6.653810765580744e+03, 2.546168972455779e+00, 3.681886411768600e+01, 2.448764464076963e+03, 9.360022784172854e+03, 8.238469287676824e+01, 1.294217746552971e+05, 4.771964830297016e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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