4000 Lattice="34.88877346332412 0.0 0.0 0.0 34.88877346332412 0.0 0.0 0.0 34.88877346332412" Properties=species:S:1:pos:R:3:forces:R:3 energy=-12780.301753372445 stress="-0.010198635065898515 -0.002913330373910385 -5.210650349742731e-06 -0.002913330373910385 -0.010591253587109675 0.00022072390173551995 -5.210650349742731e-06 0.00022072390173551995 -0.013342977021661394" pbc="F F F" C 0.01603513 0.02496878 0.02730293 -0.59456012 -0.61086366 -1.20965058 Fe 1.72463389 1.77798009 0.06355212 2.84740750 -1.40239366 -1.02682854 C 1.72070895 0.02684171 1.74559020 1.31606198 -0.98790120 -0.38944900 C 0.02206976 1.72700313 1.73139821 -2.17755512 0.05142997 0.82764601 C 3.52179932 0.00812160 0.02977128 -0.99400161 0.71268221 -0.94619760 Fe 5.21753946 1.75768505 0.00164279 0.95148370 0.46895743 0.20501002 C 5.25472173 0.05327111 1.76238916 -0.46814531 -0.02893331 -0.70084888 Fe 3.49269187 1.79281166 1.71707918 -0.47106729 -2.17140951 2.13415000 C 6.95363438 0.01275900 0.00009223 -0.70847543 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