# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9e1edc55-963e-4871-b4c8-5faa4bc06709/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 Si3Os2 / Pbcn (60) / materials id 16608](https://mdr.nims.go.jp/datasets/7185da80-166c-4770-bb4a-89bb06d0e271) ## Fulltext elements: [Si, Os]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: [28.09, 190.2]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-9.911936893694921e+00, 5.912314349671792e+00, 2.989085681946443e+02, -5.960378890131047e+02, -1.706885641640578e+04, 2.155019818817955e+03, -1.405672864871451e+05, -3.359120062354840e+06, 3.952950371647323e+04, -3.528583847871210e+04, -8.665823733459619e+02, 3.228690090605664e+05, 5.605982593067713e+06, 2.088350572508299e+04, 4.184647149072175e+04, -1.035784574853291e+03, -2.332848508912482e+05, 8.452950303223227e+05, -2.180615228346252e+03, 7.312994108825302e+04, 2.087802451002221e+01, 8.084614848944374e+03, -4.597849851745569e+06, 7.381274347689268e+03, 3.117565693309927e+03, -2.564793167954648e+03, 2.153601592649636e+05, -4.337808823013257e+05, 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