# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b1c9453d-f928-454f-a6ed-e3b192ee5323/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 Sr3Ti2O7 / I4/mmm (139) / materials id 3349](https://mdr.nims.go.jp/datasets/76455b8c-867c-4d28-ae40-465b718b5fac) ## 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: [1.093535578530119e+01, -5.420935297568260e-01, 6.464708996712256e-01, 1.684051017324139e+03, 2.317150069963048e+01, 1.235022971309022e+04, -3.688989488565223e+03, -2.471692517386339e+03, -1.454101084871556e+03, 2.243730476665960e+01, -4.115333732785655e+02, 3.541208525678414e+05, 2.692748527533100e+03, -1.728490997940017e+03, 1.275901815534579e+05, 6.375252062034847e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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