# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/90617052-dfc2-430c-8682-4196256dac9f/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 Y2Si2O7 / Pnma (62) / materials id 17404](https://mdr.nims.go.jp/datasets/79936dd2-e3bd-417d-97ca-c107fe40ea1d) ## Fulltext elements: [O, Si, Y]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, 28.09, 88.91]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: [5.402872508102059e+00, -1.193332629267019e-01, 6.613564473593511e-01, 1.869692359619499e+01, 3.786772161710024e+01, -1.028265282685463e+03, 1.115408089439883e+03, 1.395808282138322e+02, 6.436016933459061e+03, 3.261546977372177e+00, -1.485573331763956e+01, 2.093663964569631e+03, -1.230851516131350e+03, 7.603744356057601e+01, 4.012060845664985e+04, 2.244673608193729e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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