# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c2750fd2-c1d8-4cd6-a397-f064d62aef18/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 CrInBr3 / Pnma (62) / materials id 28532](https://mdr.nims.go.jp/datasets/bef32c6f-ae52-49bc-a392-33a8241e5d59) ## Fulltext elements: [Cr, Br, In]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: [52.0, 79.9, 114.8]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: [-1.100822941836980e+01, 1.123652110940424e+00, -1.046184168422126e+05, -2.459217618392657e+01, 1.837810055327538e+01, 4.719524986993179e+02, -5.732024648571335e+05, -7.802173945070741e+03, 0.000000000000000e+00, 4.781306153590410e+02, 0.000000000000000e+00, -8.182986409523235e+04, -1.000157967517712e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.244566239758007e+06, 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