# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2f7d02ca-9098-44b2-b323-1ff459b0eb68/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 Lu2TiO5 / Pnma (62) / materials id 771031](https://mdr.nims.go.jp/datasets/a9eff278-94ac-4b65-ac8c-502437a39e28) ## Fulltext elements: [Lu, Ti, 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: [175.0, 47.88, 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: [1.802965367863367e+03, 6.690815257583350e+00, 8.817528821241934e-01, 1.801342496311012e+03, -2.442877105603523e-02, 6.586739573026110e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.155951370985424e+04, -1.117236157364287e+06, -1.545405647679305e+04, 0.000000000000000e+00, 9.172564273824162e+03, 1.020341435817449e+02, -7.579940618184514e+01, 1.863904251835308e+03, 0.000000000000000e+00, 7.131536697075758e+05, 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