# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ee0ea3c7-7be0-4039-8492-a8769125e5f6/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 XeF2 / I4/mmm (139) / materials id 22885](https://mdr.nims.go.jp/datasets/d1b30ac3-b444-49f1-a31c-3f7d4a7b3b6c) ## Fulltext elements: [F, Xe]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: [19.0, 131.3]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: [7.942691250449732e+00, 4.725890549036467e-01, 1.734127939447735e+05, 4.530402988350184e+03, 2.785911333409266e+04, 8.108469024383223e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.273215977677893e+05, 5.228143683833107e+03, 5.969545952882803e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.640027807781550e+05, -1.691099409439186e+03, 3.748976246098802e+01, 0.000000000000000e+00, 0.000000000000000e+00, 5.822536057071513e+03, -3.860412074971613e+03, 2.277428088116083e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.543291372855013e+04, -2.190417682210899e+03, -3.094001843722904e+01, 0.000000000000000e+00, 0.000000000000000e+00, -2.195807883646774e+04, 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