32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=81.1531810481 stress="-5.861792014075139 0.32184172794700233 -0.43150010519814963 0.32184172794700233 -6.516680520072786 -1.0213425506994467 -0.43150010519814963 -1.0213425506994467 -7.028707794637553" pbc="F F F" Fe 0.00041025 0.25551247 -0.14555376 -10.37338424 -14.56623269 -5.68805675 Fe 1.44777620 1.56482696 -0.15379940 19.00165117 7.35952120 -12.51899310 Fe 1.51821382 -0.24687444 1.50202007 -12.62828256 -2.97856349 -11.24639443 Fe 0.15586213 1.64800509 1.33226600 -26.24986333 -33.54398695 8.77031525 Fe 2.73049600 0.12036030 -0.17558062 13.02701194 -12.09495556 -4.47595494 Fe 4.50662004 1.73552306 -0.02520266 7.53550763 -9.24051064 -9.19560279 Fe 4.60113418 0.25911890 1.87511867 34.58849204 -79.21940173 -46.89908069 Fe 3.19877714 1.44059487 1.63250256 -68.19610762 10.45725944 -43.41932829 Fe 0.10031152 2.93766360 -0.18077161 -21.78804526 8.60298242 -15.56850116 Fe 1.04272087 4.63572127 0.18054630 19.20907327 14.45843781 -21.21205170 Fe 1.23387496 3.08501927 1.56603388 31.02917358 -30.33835734 -40.89955418 Fe 0.00693356 4.66501753 1.72580078 -67.21367036 21.93109619 -14.81321327 Fe 2.97396801 3.14089163 0.12549165 -34.96113671 -3.58087038 -30.70256632 Fe 4.54313966 4.44832183 0.25980354 30.22971719 72.26546210 -71.52664556 Fe 4.30667951 3.27143892 1.30196529 20.60327124 -90.14891567 61.07559253 Fe 3.10338854 4.74759167 1.52830948 -24.69071701 23.71695553 8.11058704 Fe 0.15731064 -0.07465003 3.17807258 -7.82875638 -8.64343385 -6.71493625 Fe 1.44857885 1.68843096 3.17061300 19.26788465 -71.01101763 -102.49621078 Fe 1.79169807 -0.06286008 4.44630638 -11.55504101 -6.46489441 25.22129154 Fe 0.03851086 1.64982991 4.24795387 -38.05733388 -34.08127486 65.04667635 Fe 2.82929456 -0.25968528 2.89476746 13.64668650 -10.86360631 -5.90895945 Fe 4.37993804 1.56448862 2.82464588 51.06968754 64.59379046 75.46386147 Fe 4.46081905 -0.11094636 4.16858879 6.79198957 -5.21863417 6.38578229 Fe 3.07522465 1.49685794 4.26772449 16.24332786 -13.39896589 26.21713116 Fe -0.22284313 2.74014891 2.93198894 -30.73345018 39.20439735 -22.39344882 Fe 1.32743118 4.29546282 2.70940621 48.08778210 40.06510994 79.95615755 Fe 1.61893942 2.72956938 4.33885520 -1.13750379 83.26340079 90.09618277 Fe -0.04335099 4.49426498 4.59075923 0.38144329 -0.41994421 -0.56311424 Fe 3.12528982 3.15132506 3.17828948 -8.92960409 -3.20083021 -37.35313204 Fe 4.71182891 4.29301824 2.73241985 21.96634693 26.65223295 23.39053840 Fe 4.57255377 3.20175032 4.51258782 37.08181296 -23.24714918 12.01933271 Fe 3.16911338 4.30454100 4.62365747 -25.41796303 39.69089894 21.84229572