# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5dacf0de-824f-47f5-b5d8-4013c7e9d808/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 InSe / P6_3/mmc (194) / materials id 20485](https://mdr.nims.go.jp/datasets/18d58a6e-cf08-437f-bca4-d7f3b4f41b72) ## Fulltext elements: [Se, 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: [78.96, 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: 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: [5.174045757034082e+02, 2.939056040604249e+00, 1.046923013800087e+01, 0.000000000000000e+00, 0.000000000000000e+00, 8.702404509438048e+02, 2.758854959325670e+04, 9.631821113023933e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.323564821461183e+03, -3.747228277250054e+04, -3.953119300399182e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.538636132323336e+04, -4.177557772067713e+03, -1.704003788407509e+02, 0.000000000000000e+00, 0.000000000000000e+00, 9.365182722688009e+01, 2.773032761151072e+04, 4.103942585147814e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.414839159007046e+02, 5.656535267969486e+04, -2.794488669962443e+01, 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