# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fb5af916-2efb-46dd-ac41-d4c6bcb7a820/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 Er2S3 / P2_1/m (11) / materials id 2234](https://mdr.nims.go.jp/datasets/3a777fe8-df65-4468-ad09-b6be3c50bbe7) ## Fulltext elements: [S, Er]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, 167.3]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: 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: [3.965173094227863e+02, -2.646097591028354e+01, -1.271566808495524e+04, 0.000000000000000e+00, -3.027684126723465e+06, -1.347978865922415e+03, 1.607888449758779e+07, 0.000000000000000e+00, 0.000000000000000e+00, 1.665449562060553e+06, -2.307853796814441e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.179505014549104e+06, -7.844795196241599e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.122950533354899e+06, 1.980449133950785e+04, 0.000000000000000e+00, 0.000000000000000e+00, 6.554670179406986e+06, -5.839319595652698e+06, -2.647356244260615e+03, -1.031194592222312e+08, 0.000000000000000e+00, 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