# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/11d8c5a3-6303-4ce3-a202-5a339dfa07fe/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 Sr2TiO4 / I4/mmm (139) / materials id 5532](https://mdr.nims.go.jp/datasets/7ae688e2-c7ae-4fdf-aba2-d47be467ce93) ## Fulltext elements: [O, Ti, Sr]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, 87.62]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: [4.125208081648304e+00, -8.808743494402264e-02, 1.646290873332764e+00, 1.099616923310720e+04, 6.399338753590887e+00, -1.587532224835419e+03, -2.876683934191227e+03, -2.234951720519084e+02, 5.247553968809363e+03, 8.710214418806284e+00, 9.469605176170653e+00, 4.494657718380998e+05, -6.229984498592983e+02, -5.197497989048409e+01, 5.833052876611624e+04, 2.404326278548939e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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