# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f3a4bc83-e66a-4458-973b-a3f977961420/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 La2TiO5 / Pnma (62) / materials id 18051](https://mdr.nims.go.jp/datasets/7fa0e04a-bc93-4ccf-8f6f-ea0615b2e510) ## Fulltext elements: [O, Ti, La]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, 138.9]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: [1.526403309348757e+01, -4.335863968572154e-01, 3.118190834496962e-01, -3.843159215042875e+04, 2.944716575139972e+02, 1.401720201960676e+04, -7.223678416379961e+03, 3.970181079805242e+03, -1.275259044323795e+04, 7.864070478224739e+00, -1.461092572475482e+03, 1.129550269335232e+07, -4.673667952375613e+03, -1.088628328979814e+03, -1.209986079248960e+06, -2.653440561576016e+06, 0.000000000000000e+00, 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