# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0b84bbba-a2d8-4a8e-aa0b-e2f9cc03ee36/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 Sr3AlSb3 / Cmce (64) / materials id 17667](https://mdr.nims.go.jp/datasets/793b727d-2585-471e-9ed8-bf2d9aaae1bd) ## Fulltext elements: [Al, Sr, Sb]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: [26.98, 87.62, 121.8]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: [1.856581211994547e+01, 2.217196678463348e+01, 1.849287054654950e+00, 2.640418388337781e+05, 8.634496485302746e+01, -3.374257235686932e+04, 0.000000000000000e+00, 0.000000000000000e+00, -2.314040223429756e+05, -9.706251872888467e+05, 8.609907039886073e+04, 0.000000000000000e+00, 0.000000000000000e+00, 2.487471442334516e+03, 9.484636291139129e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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