# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/06653dd6-4c5f-4b4c-b4b2-9f9ae6e99bc4/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 K2MgO2 / Pbcn (60) / materials id 755802](https://mdr.nims.go.jp/datasets/57cbb591-cffd-4464-8a81-e14f8fbc73f0) ## Fulltext elements: [K, Mg, 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: [39.1, 24.31, 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: [2.697316896332920e+01, 8.042652970635327e+00, 8.957626801923562e-01, 8.696292481200466e+00, 2.426950090292146e-02, 3.411217091756288e+00, 5.436844780585043e+04, 7.908346917461694e+05, 2.788738639964046e+04, -9.368677311927156e+04, -2.109067801754624e+04, 2.843291193445374e+04, -4.325528457858032e+02, -5.239695548017008e+03, 2.608954445419351e+03, 2.574173516333372e+04, -1.931320620438598e+04, -7.383437790606254e+01, 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