# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3fbdc68f-d950-4ed5-9f93-a176da1e5244/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 / P2_1/c (14) / materials id 27164](https://mdr.nims.go.jp/datasets/7f65d6b7-becc-4bc2-b8b9-18a103b5ead9) ## Fulltext elements: [P, Fe]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: [30.97, 55.85]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: [2.620197037900446e+00, -3.592291452256805e+00, 1.251679893561724e+04, -8.207669849588513e+02, -2.655016586048202e+04, 8.528384935571586e+02, -3.101931148975329e+06, 0.000000000000000e+00, 2.541345064912502e+03, 7.544298456148523e+02, -2.006997573650603e+03, 2.441924123193724e+07, 0.000000000000000e+00, 1.761073627198504e+04, -4.932879878304781e+03, 3.591949905859173e+02, -9.901934604329534e+06, 0.000000000000000e+00, 2.291891714059393e+03, 2.926663138189031e+04, 2.611244633346592e+03, 3.275778767594693e+07, 0.000000000000000e+00, -1.111741186805646e+03, 3.957871718511452e+04, 3.390614577916584e+01, -1.378792140218363e+07, 0.000000000000000e+00, 4.043411177530154e+03, 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