# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f6cc2e8f-664c-483f-877a-1d8755b4664f/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 Na2As4O11 / C2/c (15) / materials id 504953](https://mdr.nims.go.jp/datasets/93992d7e-b3d9-49ea-96c3-7e6a01aff568) ## Fulltext elements: [As, Na, 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: [74.92, 22.99, 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: [2.339521672226820e+02, -7.102990078567623e+02, -7.172685251774855e-01, 9.107002984875484e+01, 1.876344130081898e-01, 4.365755198057444e+00, 1.970215466384800e+04, 2.289366248121832e+07, 1.367269978090102e+04, 0.000000000000000e+00, 3.566797815065166e+04, 0.000000000000000e+00, -2.641744736126279e+06, 7.677655493317710e+00, -7.498309214208073e+02, 1.910239896432284e+03, 0.000000000000000e+00, -9.169552191885503e+05, 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