# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ceed6256-dc9d-4d4b-ae18-d34664517fce/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 TiO2 / P4_2/mnm (136) / materials id 2657](https://mdr.nims.go.jp/datasets/852bb4c4-9a08-426c-80e9-9ff93f65640f) ## Fulltext elements: [O, Ti]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, 47.88]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: [8.275712217880749e+00, -1.039694948356797e+00, 4.533238947912705e+01, -2.232906457426026e+03, 4.347111605697546e+02, 3.692329657960626e+01, 4.591904546514592e+04, -8.398682716474959e+05, -2.150563425344762e+04, 1.807775733122211e+03, 1.994768784479255e+02, -4.170812990766262e+02, 1.039414867874176e+06, 7.179467862941880e+03, -2.513987026256395e+03, 2.728108395969052e+01, -3.708661723988866e+03, 2.341692109222661e+05, 1.874640743398809e+04, 7.128416087342775e+02, -8.444955489929849e+01, -2.259478628408538e+04, -1.153874914931511e+06, -4.160905489914605e+04, -1.413836279779811e+03, -8.602744529545174e+01, 4.065739017143250e+03, -8.687649451671948e+04, 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