# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3c6e7e9a-78b6-4abd-87ec-b1239f4c71fe/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 KAlO2 / Pbca (61) / materials id 5525](https://mdr.nims.go.jp/datasets/beff612e-41b3-469b-bbbc-53bdef2dff9b) ## Fulltext elements: [O, Al, K]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, 26.98, 39.1]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: [9.129616819212799e+00, -1.614025458406898e-01, 2.990033457211342e-01, -1.542096323993191e+01, 4.669767239460704e+01, 4.027250426149927e+01, -6.413128544923458e+03, 6.844265202286368e+02, 7.321811974256148e+03, 4.379750421540538e+00, -2.105713953570081e+01, 2.399784536088071e+03, 2.458017557012516e+02, -4.432110267675193e+03, -5.307909952307191e+04, 1.748209124415300e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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