# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dc30272a-e73b-48e6-8efb-0e33a9463bc9/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 Ba(Ag3O2)2 / Pnna (52) / materials id 27286](https://mdr.nims.go.jp/datasets/c7743ac0-4f57-415d-91ed-f43e8984c464) ## Fulltext elements: [O, Ag, Ba]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, 107.9, 137.3]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: [3.290835929815986e+02, 1.375064833790078e-01, 1.834192163314822e-01, 3.402557861299275e+01, 2.027965503427748e+02, 5.724296996166779e+02, 0.000000000000000e+00, -2.531700019613821e+04, 7.616081251106217e+05, 1.872226502667962e+01, -2.176879237503485e+02, -3.215636325094228e+03, 1.767671661915781e+05, 3.348588332125182e+02, -1.395584963505877e+05, 0.000000000000000e+00, -1.766857681851724e+04, 0.000000000000000e+00, 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