# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9c7d19b1-d9e4-412b-be5b-d322a814a261/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 LiH3O2 / C2/m (12) / materials id 27281](https://mdr.nims.go.jp/datasets/95348c2f-e176-4db4-aeb6-e0786371bfb0) ## Fulltext elements: [H, Li, 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: [1.008, 6.941, 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: [-1.969779991665098e-01, 5.031486069560015e-01, -1.187787196195346e+00, -8.519191214584730e-01, 4.571251019665376e-01, 1.829219515024374e+00, 1.173881747793440e+01, 1.470787292606553e+02, -1.441391617875873e+01, 4.861103293470835e+01, 1.755817192934896e+01, -2.243712585483767e+03, -2.078452740285180e+02, -4.772533663965467e+00, -2.770208647413046e+01, -1.956814798094373e+02, 5.112422233766686e+03, 2.381223399649826e+02, 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