# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ab46d9ff-34b4-4958-b0a8-da3da9de7943/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 Ag3SnP7 / P2_1/m (11) / materials id 29849](https://mdr.nims.go.jp/datasets/7ada8742-fbef-4fbf-bb51-2739bd78f9c0) ## Fulltext elements: [Sn, Ag, P]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: [118.7, 107.9, 30.97]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: [0.000000000000000e+00, 2.055916547139860e+00, 3.214191752200830e+00, 3.345796727758577e+00, 1.270644036118199e+00, 1.421346170607116e-01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.448905608956436e+04, -1.543435404629358e+04, -4.654891767763688e+04, 2.754259334230772e+03, -1.295354816840112e+03, 7.701896417314411e+03, -3.876272476026294e+03, 9.295081591327478e+04, 5.851253852271005e+03, 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