# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ef1b020e-23fd-48da-8573-bee66a49d7e4/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 NdS2 / P2_1/c (14) / materials id 13568](https://mdr.nims.go.jp/datasets/e6c027c5-be97-49d5-b267-4ae95d104f33) ## Fulltext elements: [S, 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: [32.07, 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: 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: [8.533107877235199e+00, 6.574300342186801e+01, 7.761747080102598e+05, -5.439414675101822e+02, 2.275315378899821e+04, 3.031721061969513e+05, 0.000000000000000e+00, 0.000000000000000e+00, -9.790896441818306e+02, -3.057631910109667e+05, -8.024938817010459e+05, 0.000000000000000e+00, 0.000000000000000e+00, 3.635233941537168e+02, -7.265243753026311e+04, 2.093949388832401e+05, 0.000000000000000e+00, 0.000000000000000e+00, 2.915126990188557e+00, 1.857018467052816e+05, -7.922022350964144e+04, 0.000000000000000e+00, 0.000000000000000e+00, 6.527125812730774e+02, -2.013604890677498e+04, 9.730896967348740e+04, 0.000000000000000e+00, 0.000000000000000e+00, -5.558543669979435e+01, 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