# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/02931134-3a8f-4aaf-8634-1d8e84cd6d78/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 NdClO / P4/nmm (129) / materials id 23058](https://mdr.nims.go.jp/datasets/7462a653-d6d1-43f1-aa14-6e9225a5e23f) ## Fulltext elements: [O, Cl, Nd]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: [16.0, 35.45, 144.2]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: [9.901360662132547e+00, 2.041614351351254e+00, 4.053256831397007e-02, 1.647915109738698e+01, 3.137317231834485e+00, 3.264266336650068e+02, -1.288114188989964e+04, 6.520546251960312e+03, 2.000964455432728e+02, 3.361350480084107e+04, 9.911403403744724e+02, 0.000000000000000e+00, -5.670383426255600e+04, 2.040021087988326e+01, 2.009263158369716e+03, 1.907960472850807e+04, 3.215412017900251e+05, -2.410429070954522e+04, 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