# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/882e3d81-a973-40cb-9485-a0f3284921c1/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 CaIn2O4 / Fd-3m (227) / materials id 22766](https://mdr.nims.go.jp/datasets/b65c318a-0df7-4356-bb55-541d01beb1a5) ## Fulltext elements: [O, Ca, In]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: [16.0, 40.08, 114.8]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: [7.595765388764173e-01, 5.373464224831784e-02, 3.008397816388799e-02, 1.028779262241767e+03, 3.771531555415573e+02, 1.885071473971084e+01, 1.750741092119940e+03, 1.228157745981339e+03, 5.047607559346356e+01, 1.765899057538559e+01, -8.642787570566247e+00, 0.000000000000000e+00, 6.670217399577484e+04, 3.502431402867197e+00, 4.353031677068071e+04, 3.691896980586404e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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