# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a2687eec-7be0-4bba-8b54-47b2e0782793/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 SrPdF4 / I4/mcm (140) / materials id 12622](https://mdr.nims.go.jp/datasets/92654325-3f18-4b03-a3d5-c2854b3e5b2d) ## Fulltext elements: [F, Sr, Pd]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: [19.0, 87.62, 106.4]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: [1.365778861192459e+01, 2.702295822678838e-01, 9.417391327272133e-02, 2.794975523045936e+04, 1.618145641943137e+03, 9.922317169615420e+03, 5.447512343196954e+03, 3.086907806525369e+03, 1.326448212888828e+02, 6.195072023078972e+01, -3.401942738934413e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.312490513236819e+01, 5.278991402690602e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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