# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dd36cf52-a3c6-48b4-951c-5514e6ad17ff/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 CaTm2O4 / Pnma (62) / materials id 754410](https://mdr.nims.go.jp/datasets/bb26ad9c-5fba-462d-b23f-6733579b95ad) ## Fulltext elements: [Ca, Tm, 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: [40.08, 168.9, 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: [1.769742008485713e+00, 5.386032412644565e+01, -7.684887656991608e-01, 2.293659327602052e+02, 8.395859927748728e-01, 2.281563433616480e+01, 0.000000000000000e+00, 0.000000000000000e+00, -2.992972880849135e+04, 3.363883635031117e+06, 9.663739954565375e+04, 0.000000000000000e+00, 3.364414145960945e+03, 2.560794584578714e+01, 1.868558996992969e+02, 1.153793349935222e+04, 0.000000000000000e+00, -1.081578796004261e+04, 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