# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/078d898d-b646-4b24-8eca-ff74db12630f/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 Li3BrO / Pm-3m (221) / materials id 28593](https://mdr.nims.go.jp/datasets/0001c9e8-8806-4b05-ad71-377db537b920) ## Fulltext elements: [Li, O, Br]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, 79.9]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: [4.528819765809076e-01, 2.843892998382376e-02, 1.852795329897159e-01, -9.104754583183195e+01, 4.419170305291084e+00, 1.908705707958210e+02, 8.801606997735780e+02, 4.397706966152189e+01, 1.473980542416369e+02, 5.817596220729493e-01, -2.017234442357673e+01, -7.534374786641049e+03, -9.652373344610243e+02, 3.257047575570678e+02, 3.653745637120032e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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