64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=245.83357393510104 stress="-0.0031062381046442922 -0.0015454499690912558 -0.0017000118251937475 -0.0015454499690912558 -0.0025607111696021633 -0.001093174101112671 -0.0017000118251937475 -0.001093174101112671 -0.0030963171123462026" free_energy=245.83357393510104 pbc="F F F" Fe 35.42032358 35.20618254 35.13208278 -50.77820935 -96.60109549 -113.06297649 Fe 35.89027990 36.09783946 36.17857288 50.80355629 97.27320589 110.24893200 Fe 37.68072507 37.52535759 35.14430603 -143.29317288 -81.81939857 -124.08596199 Fe 38.59584893 38.04632716 35.93420705 142.26423492 80.26513132 125.19151940 Fe 36.96189351 34.68965695 37.40072818 1.84995737 -1.89215601 2.28881644 Fe 38.11246642 36.70683445 38.68224913 -19.50503467 -24.60374347 -90.99985265 Fe 34.76447421 37.51234142 37.39797313 -1.01472153 1.93445229 1.49309857 Fe 35.72724249 39.00105541 39.02073245 1.69720432 -0.53496989 -0.12340392 Fe 39.89810616 34.89377634 35.41177341 -49.15270569 -35.65581597 -22.08202150 Fe 41.15019835 35.83038615 35.99235299 48.53588910 36.46905743 22.58518691 Fe 42.16847990 37.95675865 35.25108204 -107.36132952 -71.43129052 -56.13629907 Fe 43.29922158 38.71135882 35.85296040 106.68628810 71.59034197 56.88936105 Fe 43.00131226 35.01240128 37.45234021 -8.68085842 -29.57221595 -16.44491106 Fe 43.41999950 36.52923994 38.29339417 7.51899013 30.05619480 15.79264188 Fe 39.76074987 37.02688392 37.97212270 19.70411701 -6.01320330 -16.98791600 Fe 40.79471943 38.52293335 38.67458714 7.40339853 10.40286275 5.49485268 Fe 35.06664161 39.97435144 35.71549012 -16.05144828 -22.60791990 -6.31930266 Fe 36.15028003 41.36586036 36.18980610 -17.79112672 23.22871671 2.01769086 Fe 36.70691509 42.67724266 35.07678781 9.83280298 22.90253215 -19.05800149 Fe 38.64076477 43.47175198 36.41230082 -32.14727287 18.21261024 -31.09473449 Fe 37.19129751 40.37912391 37.20461784 14.14571915 -26.55089595 7.09613375 Fe 38.20913106 40.63646532 38.77469746 10.03827974 2.07885079 17.20131520 Fe 34.85170523 42.25778381 38.30811306 -0.12696661 -1.95611290 -0.17051065 Fe 36.13812892 43.91480537 38.92641130 1.12556955 1.48100193 0.21214529 Fe 39.97232323 39.51260227 34.94320298 -0.77358800 -4.18507674 -4.56446239 Fe 40.50026539 41.03102546 36.22085491 2.00056596 4.10579551 4.23304108 Fe 42.30686070 42.80476914 34.88846272 -84.79841234 -71.14202922 -29.69625990 Fe 43.44645585 43.76023223 35.29171775 84.35418960 70.59074229 30.24610637 Fe 42.70181805 40.47624797 37.45930840 -96.41881928 -63.25534701 -76.13902864 Fe 43.73023129 41.16452591 38.29167641 96.09187949 63.51688629 77.05880732 Fe 39.77705715 42.80170100 37.52594550 25.59056761 -21.69352262 24.44375662 Fe 40.89846397 43.40520039 39.07416640 -99.48463229 87.55566971 -33.86554952 Fe 35.23141249 35.09865530 39.61686765 -24.82579121 -20.73388784 -35.74811015 Fe 36.15063745 35.86429495 40.86081750 24.23976008 20.81679560 35.81045811 Fe 37.99334471 37.00194958 40.21715574 -6.89450872 15.96997808 100.60525575 Fe 38.21169860 39.03064440 40.81459044 3.54997615 -9.52750197 -25.15601104 Fe 37.91034445 34.70223764 42.45280282 -0.42537845 0.24077666 -1.12581594 Fe 38.63471566 36.44820323 43.70946353 -4.12257139 -3.42187990 4.00592314 Fe 34.81626528 37.18739424 42.74462142 -12.04351924 -19.83129285 -7.78001683 Fe 35.76759066 38.67143098 43.29673269 12.94378200 19.91048108 6.90459856 Fe 40.12586467 35.57001461 40.11357016 -8.32096973 -6.46755581 -6.33579872 Fe 41.38053852 36.68151183 41.14850735 3.46681975 4.10956619 9.12137337 Fe 42.93778783 37.70228217 40.29174816 -26.38037804 -28.32542385 -30.38717374 Fe 43.94768116 38.75384684 41.17966492 31.91275272 33.08014819 27.94773737 Fe 42.39132269 34.72717218 42.32560137 -0.43723572 -0.03990682 -0.50067429 Fe 43.91556218 35.61214212 43.78307832 0.25819343 0.40365301 0.05506215 Fe 39.78823940 37.63946571 42.50357242 2.25409308 4.48473725 -4.57995138 Fe 41.46307134 39.05605714 43.43537890 -62.81129713 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