108 Lattice="5.550728216032166 0.0 0.0 0.0 5.550728216032166 0.0 0.0 0.0 5.550728216032166" Properties=species:S:1:pos:R:3:forces:R:3 energy=10451.85602152155 stress="-128.31585605619267 0.39977805868511607 -0.335162963845272 0.39977805868511607 -127.90323814547676 -0.23187537353624513 -0.335162963845272 -0.23187537353624513 -128.2200953808958" free_energy=10451.85602152155 pbc="F F F" Fe 0.02587931 0.02156452 0.01965274 -203.56600106 -196.53105647 -199.97265843 Fe 0.91571439 0.88114068 0.03556013 20.22632091 36.17435356 -349.65529903 Fe 0.89939465 0.01373589 0.91019606 43.98536342 -374.91300522 21.14145295 Fe 0.00763269 0.89076011 0.93728016 -343.13976151 38.50672537 26.81340140 Fe 1.86754097 0.03341491 0.00182301 -12.19603663 -248.82470590 -254.57064086 Fe 2.78789761 0.90072049 0.02835719 -18.15477183 53.76739715 -289.19923954 Fe 2.73643953 0.00389066 0.92031918 28.45341726 -323.35780324 21.10197034 Fe 1.80507973 0.88584854 0.95814810 75.10519782 51.02460647 -32.09087380 Fe 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Fe 2.77548628 3.64007681 4.62766736 -10.02638262 50.20628894 352.18676039 Fe 1.88748617 4.64011855 4.64442720 -45.27741707 193.57582237 212.72064626 Fe 3.69510394 3.73667847 3.72388941 26.84626238 -48.87353665 -21.93850429 Fe 4.59726225 4.63907606 3.67103006 241.54161575 255.28183518 50.68620958 Fe 4.59258597 3.68221671 4.64406667 249.82845033 8.49361663 215.81632604 Fe 3.69566050 4.58952925 4.62860937 18.62329624 253.82171004 267.21869433