# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5789888e-4ab6-4560-8746-3519820aff55/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 Li8SnO6 / R-3 (148) / materials id 4527](https://mdr.nims.go.jp/datasets/71f61b8c-7a7d-477f-bde0-c9cf5d017512) ## Fulltext elements: [Li, O, Sn]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, 118.7]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: [1.602885051449517e-01, 3.644872976809381e-02, 4.761080172821167e-01, 2.035461977438979e+00, 3.259987394340352e-02, 0.000000000000000e+00, 1.272191245250021e+01, 3.278961025113309e-01, 3.291538684675357e+02, 9.415797343985317e-01, 1.542540358477221e+01, -1.094062998663139e+01, -5.302044967375179e+00, 5.458948764537856e+02, -1.655096368306856e+01, 0.000000000000000e+00, 5.838728262937635e+03, 2.329204614890823e+02, 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