# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6d70d7d9-ae57-432d-b010-b67c6319d5b2/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 CaN6 / Fddd (70) / materials id 676](https://mdr.nims.go.jp/datasets/e6b7e72b-e428-481b-a852-25f8256e7783) ## Fulltext elements: [N, Ca]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: [14.01, 40.08]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-2.415170061750803e+00, 3.663123320181474e+00, -6.325496535841970e+05, -1.094929417419887e+01, 3.065475283968985e+03, -4.371186031492630e+03, 0.000000000000000e+00, 0.000000000000000e+00, -8.860138192325509e+01, 2.431870486187814e+02, 8.548217964132238e+04, 0.000000000000000e+00, 0.000000000000000e+00, -5.359540912591218e+00, 1.176618975692060e+03, 5.673207923970191e+04, 0.000000000000000e+00, 0.000000000000000e+00, -5.215706991883045e+01, -4.860650597776687e+01, -1.261369918354580e+04, 0.000000000000000e+00, 0.000000000000000e+00, 4.387630141112228e+00, 4.100255745428902e+03, 1.919591890796392e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.314410445353769e+01, 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