# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9feaf116-807e-4dbf-ac48-54c099ade913/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 BaZrN2 / P4/nmm (129) / materials id 3104](https://mdr.nims.go.jp/datasets/b177b1a6-5aab-4c70-9c13-963bbb00fe1e) ## Fulltext elements: [N, Zr, Ba]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, 91.22, 137.3]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: [1.435638861663818e+02, 2.724145459454061e-02, -5.229115621528530e+00, 1.506052726741398e+02, 2.849110381142581e+02, -1.861973342156899e+03, -8.055745267207138e+05, -5.494314223616316e+03, -6.103450656242277e+06, 4.914725701858195e+01, -2.258067143455697e+03, 1.226810484760711e+04, -2.131569242737659e+04, -1.535417740156787e+04, 1.862019058770129e+07, 0.000000000000000e+00, -1.048781424523208e+06, 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