# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5a74a02a-6efb-4a42-8e36-6f6d401373bd/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 CdP2 / P4_12_12 (92) / materials id 12112](https://mdr.nims.go.jp/datasets/d0a4493b-f343-4edd-a233-4790b45594a9) ## Fulltext elements: [P, Cd]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: [30.97, 112.4]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: [-4.147298042698010e-01, 8.914938357863997e+00, -1.306151580460820e+04, -2.944059536372936e+03, -1.115700336334015e+04, 5.580123693832406e+03, 0.000000000000000e+00, 0.000000000000000e+00, 4.189550603447119e+03, 1.815086751657624e+04, 1.062481501823786e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.368236831938626e+03, -7.828887207996340e+02, -1.394796733111055e+03, 0.000000000000000e+00, 0.000000000000000e+00, -6.170942671069760e+02, 2.177140139234213e+03, -4.525380157623867e+03, 0.000000000000000e+00, 0.000000000000000e+00, 3.295650978825189e+02, -8.217209263288431e+03, -9.167464334089095e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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