# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0adb1759-81ed-46f1-8295-03a20f89a614/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 Na2Si2O5 / Pbcn (60) / materials id 16970](https://mdr.nims.go.jp/datasets/d7cc89e2-05e5-4c8c-a490-9caff3909901) ## Fulltext elements: [O, Na, Si]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, 28.09]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: [9.950341521666509e+00, 1.097032603003409e+00, -8.248956900559262e-01, 1.690054972718707e+01, 5.961126311520324e+01, 9.810242287194029e+01, 3.967492276933582e+03, 4.675669108222272e+03, 1.379821311682623e+03, 8.980454931072073e+01, 4.962564888348862e+01, -5.573717195824350e+03, 3.632292763294421e+04, 5.537804154106619e+00, 2.334699495605043e+03, 4.611733195692618e+03, 3.860804561782700e+06, 2.996038381325440e+06, 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