# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/aebdeac4-0f9f-4498-8294-adf935f39076/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 SrDy2O4 / Pnma (62) / materials id 556075](https://mdr.nims.go.jp/datasets/7babee4e-6d19-42b4-a214-c98e94a7cb9a) ## Fulltext elements: [Sr, Dy, O]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: [87.62, 162.5, 16.0]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: [-5.717096408784025e+02, 8.500882088645263e+01, -1.020884877479648e+00, 2.381210250004548e+02, 7.538712329041753e-01, 2.812867447914117e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.470114043066128e+05, 0.000000000000000e+00, 2.498025181700401e+04, 0.000000000000000e+00, 5.746947466762004e+04, 5.726728031731193e+01, -1.598783605833914e+02, 5.569089944894093e+04, 0.000000000000000e+00, -1.134302014413768e+05, 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