# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/86cced02-5c22-48aa-8eeb-e5d62e5ac735/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 CsYO2 / P6_3/mmc (194) / materials id 541044](https://mdr.nims.go.jp/datasets/8cbbff2f-23bd-430e-b1b8-a873ec17a204) ## Fulltext elements: [Cs, Y, 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: [132.9, 88.91, 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: [-4.508326470472870e+02, 6.995006933179741e+03, 1.423251497401040e+00, 2.176304117397092e+02, 5.762592726468738e-02, 2.337127220425017e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.909691875484064e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.364222196126398e+05, 3.015667197631136e+04, 4.673063081245045e+02, 1.363844686631289e+04, 0.000000000000000e+00, 3.904032426516899e+04, 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