108 Lattice="10.45786016058921 0.0 0.0 0.0 10.45786016058921 0.0 0.0 0.0 10.45786016058921" Properties=species:S:1:pos:R:3:forces:R:3 energy=-305.5786085426475 stress="-13.402338464082526 -1.2319283765825162 -6.6796784094216 -1.2319283765825162 -4.480816404699212 -7.74585912473891 -6.6796784094216 -7.74585912473891 -16.01943969958402" pbc="F F F" Fe 0.03375795 0.04495601 0.00078587 0.18409001 -0.30215617 0.21263062 C 1.73074363 1.78156525 -0.00101940 1.08322115 -0.28311919 0.70366397 Fe 1.77125464 0.00881347 1.71642017 -1.14509967 1.00987790 0.02419254 C -0.02289072 1.73328860 1.73614490 0.13483157 0.20169909 0.63775282 C 3.49148107 -0.00364003 -0.01415280 -0.48298557 -0.87990582 -0.50353682 C 5.21159850 1.76311635 -0.01302194 1.19820775 -0.14449167 -1.59383434 C 5.22518263 -0.02574368 1.71882686 -0.11587510 -1.71590660 1.84126419 Fe 3.51836533 1.71146876 1.75048611 -1.15630530 1.87906604 -0.44592963 Fe 6.94826109 0.00349319 0.01899547 1.21617094 1.70769245 0.90485330 C 8.72470269 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