108 Lattice="10.697518235682406 0.0 0.0 0.0 10.697518235682406 0.0 0.0 0.0 10.697518235682406" Properties=species:S:1:pos:R:3:forces:R:3 energy=-357.5894046960355 stress="-0.00754541518526806 -0.0004772324194900586 -0.00041432431970499315 -0.0004772324194900586 -0.007771458845015666 -0.0008710110328206312 -0.00041432431970499315 -0.0008710110328206312 -0.007583461717177628" pbc="F F F" Fe 0.00474970 0.03333947 0.03402171 0.50880943 0.49117227 0.47957478 Fe 1.80335942 1.76832177 0.00723215 -0.10304784 0.08984283 -0.49217500 Fe 1.73651933 0.03304333 1.81563196 0.43951828 -0.77686920 -0.23411481 Fe 0.03434651 1.75751561 1.81019089 -0.73248384 0.40241230 -0.16185169 Fe 3.55109514 0.03032818 0.00715987 -0.00949677 -0.00733258 0.08168737 Fe 5.35192887 1.79657432 0.01858527 0.12430412 -0.12305681 -0.62668089 Fe 5.33136144 0.03191061 1.78472504 0.17734173 -0.59312620 0.04586135 Fe 3.57659570 1.76614924 1.79302089 -0.22548622 0.30510836 0.23978178 Fe 7.14842154 0.01530938 0.03471673 -0.11416342 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