# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e0aca298-188f-4a2c-82a9-03576493f0c5/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 SrZrO3 / Pnma (62) / materials id 4387](https://mdr.nims.go.jp/datasets/c7ec46d2-b944-44c9-a406-96bf49eda20e) ## Fulltext elements: [O, Sr, Zr]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, 87.62, 91.22]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: [1.066470416987632e+01, 5.878102697371819e-01, 3.032011339006299e-01, 3.236660361008124e+03, -2.334571934089629e+00, 2.186427892375554e+04, 9.226117346656854e+03, 7.521794362842434e+03, 4.949770451407326e+02, 4.089083212481562e+02, -1.283233391204547e+02, 0.000000000000000e+00, 1.400593022376723e+05, 3.092388578424075e+01, -2.691552105096031e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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