# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/043d3da4-6014-43fc-8dd9-c2f79008ef8d/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 FeP4 / C2/c (15) / materials id 570553](https://mdr.nims.go.jp/datasets/f95a476c-b06c-4ae7-8bc1-1fc5c14c57f1) ## Fulltext elements: [Fe, P]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: [55.85, 30.97]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: [1.033452151469267e+04, 2.784999601754293e+00, 7.402175416213828e+00, 0.000000000000000e+00, -1.796544042299039e+05, -3.024229362571258e+02, -4.183750960164881e+03, -2.056981476276725e+03, 0.000000000000000e+00, -1.689082202173862e+07, 5.329777417871144e+03, -4.525064744337682e+03, 6.850359870501123e+03, 0.000000000000000e+00, 1.113488897036031e+07, -1.484130988093665e+03, 2.699017771576431e+03, 1.121427200248995e+04, 0.000000000000000e+00, 3.300806797851196e+07, -4.814759907239965e+02, 1.157466606835047e+04, -9.581092595739246e+02, 0.000000000000000e+00, 6.779033440951275e+06, -1.985320160504200e+02, 1.190759175167371e+04, 7.214256678523400e+01, 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