# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/961c57a9-e4e1-43dc-8901-768f49b92430/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 MgSe2O5 / Pbcn (60) / materials id 16771](https://mdr.nims.go.jp/datasets/2bdea4f0-802a-426c-81b5-4779c4d415ff) ## Fulltext elements: [O, Mg, Se]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, 24.31, 78.96]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: [1.210163878502951e+00, 7.697175349375777e-01, -7.091977586561925e-01, -3.770656771747911e+02, 2.082491119379394e+02, 2.061080378851907e+02, 1.368563789194545e+04, 3.257887225469313e+03, 1.037983854437642e+03, 3.448786455055673e+01, 4.350700412539748e+01, -4.457541822850747e+04, -2.647924565318946e+04, 2.448577282754732e+01, -2.268829229821846e+04, 5.321563898103451e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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