# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/70d7a280-af74-494d-a804-96c222c55774/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 Ca3In2O6 / Pmc2_1 (26) / materials id 757442](https://mdr.nims.go.jp/datasets/c2083129-06b0-4673-836c-f3064a1cdfea) ## Fulltext elements: [Ca, In, 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: [40.08, 114.8, 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: [1.535709983530147e+02, -6.124961758926981e+01, 1.230820478833809e+00, 3.669248826330515e+02, 1.385747852590766e-02, 1.474331129928439e+01, -5.062437119784608e+06, 0.000000000000000e+00, 7.387777927484906e+04, 1.876575597582801e+07, -2.484992097464462e+04, 0.000000000000000e+00, -1.732414557590297e+04, 1.076029413658352e+01, -8.216844298297024e+02, -5.688705381537727e+04, 0.000000000000000e+00, 7.617757685604715e+04, 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