# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7b5b9c6c-8812-4012-9461-1f91a71c9dba/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 Na2O2 / P-62m (189) / materials id 2340](https://mdr.nims.go.jp/datasets/2eef3c65-47c5-406b-b6b5-670d6f4b7876) ## Fulltext elements: [O, Na]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, 22.99]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-1.448710594062129e-02, 1.115421182825094e+00, 1.157566906812643e+02, 2.723257260042243e+00, -1.331224814090411e+01, 9.421695645651508e+01, 1.105444126062349e+03, -5.959328954150940e+04, 1.495357057285426e+00, -2.818898067918814e+00, -2.420002309210428e+02, -6.582611762816102e+02, 1.248873304907239e+05, 1.217539755215526e+00, 2.463100864777033e+01, 4.954490666479600e+01, 1.668268720961538e+04, 5.920737159989055e+04, 9.789240219178391e-01, -2.097721952615239e-01, 4.099702424389689e+00, 4.690173362107517e+03, -2.689554798362773e+05, -9.100066948448309e-01, 5.842252687056102e+01, 3.911981362384482e+00, -1.491709148403566e+04, 1.096298641600247e+05, 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