# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7b32a4bb-03ef-4104-b57b-3ab5cedc72ae/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 Sr4Cu2O7 / P2_1/c (14) / materials id 766217](https://mdr.nims.go.jp/datasets/28e4d372-c653-495c-a145-fffd38c28a47) ## Fulltext elements: [Sr, Cu, 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, 63.55, 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: [-2.646793334754631e+02, 9.446853654545006e+00, 2.119988350567835e+00, 4.774010862191479e+01, -2.030880348350220e-02, -6.500303638242725e-01, 0.000000000000000e+00, 0.000000000000000e+00, -2.365705039321520e+06, 5.088832658577278e+05, -2.675999569607030e+04, 0.000000000000000e+00, 7.406568012842246e+01, 2.703006943322133e+02, -6.724106005032597e+02, 7.314542793595328e+03, 0.000000000000000e+00, 2.633611215312373e+05, 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