# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f9fa502d-edbe-4ed9-a0c3-35dc26e6ee09/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 Li8PtO6 / R-3 (148) / materials id 8610](https://mdr.nims.go.jp/datasets/5dbda603-0c22-47a0-b363-d0e8f8ead1af) ## Fulltext elements: [Li, O, Pt]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: [6.941, 16.0, 195.1]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: [2.684056504735901e-01, 5.506488289707250e-02, 2.365508271792673e-01, 1.204597289215084e+00, 5.789029436560329e-02, 0.000000000000000e+00, 1.999629401965102e+01, -1.778432069100988e+00, 6.423314009656634e+01, 1.269118035697943e+00, 5.725744029436546e+00, -1.453828061605581e+00, -6.733129580609676e+00, 2.857851332251510e+02, 9.062092063464066e+00, 0.000000000000000e+00, 1.757160260207444e+03, 2.284647986798502e+02, 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