# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/88d29ffc-18a5-4811-8bfc-e2576e1efb6c/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 Dy2SiO5 / C2/c (15) / materials id 768317](https://mdr.nims.go.jp/datasets/4c7d489b-9e07-4cab-9a8d-8a78ab95b364) ## Fulltext elements: [Dy, Si, 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: [162.5, 28.09, 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: [2.172224383911060e+03, 1.027462704865825e+02, 2.203628560253378e+00, 2.143806029273720e+04, -3.856444495495724e-01, 8.215083945839744e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.502712963543430e+05, 7.234419055470297e+06, -4.742960356780653e+04, 0.000000000000000e+00, 1.816042328155594e+02, 2.130838481917748e+02, -3.834182231955980e+02, 7.580936341762665e+03, 0.000000000000000e+00, -1.714531081424169e+06, 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