32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=81.15318104806845 stress="-0.00939945354981932 0.0005160770571469769 -0.0006919155756145832 0.0005160770571469769 -0.010449575095868132 -0.0016377349862810352 -0.0006919155756145832 -0.0016377349862810352 -0.011270616949955561" free_energy=81.15318104806845 pbc="F F F" Fe 21.00041025 21.25551247 20.85444624 -10.37338424 -14.56623269 -5.68805675 Fe 22.44777620 22.56482696 20.84620060 19.00165117 7.35952120 -12.51899310 Fe 22.51821382 20.75312556 22.50202007 -12.62828256 -2.97856349 -11.24639443 Fe 21.15586213 22.64800509 22.33226600 -26.24986333 -33.54398695 8.77031525 Fe 23.73049600 21.12036030 20.82441938 13.02701194 -12.09495556 -4.47595494 Fe 25.50662004 22.73552306 20.97479734 7.53550763 -9.24051064 -9.19560279 Fe 25.60113418 21.25911890 22.87511867 34.58849204 -79.21940173 -46.89908069 Fe 24.19877714 22.44059487 22.63250256 -68.19610762 10.45725944 -43.41932829 Fe 21.10031152 23.93766360 20.81922839 -21.78804526 8.60298242 -15.56850116 Fe 22.04272087 25.63572127 21.18054630 19.20907327 14.45843781 -21.21205170 Fe 22.23387496 24.08501927 22.56603388 31.02917358 -30.33835734 -40.89955418 Fe 21.00693356 25.66501753 22.72580078 -67.21367036 21.93109619 -14.81321327 Fe 23.97396801 24.14089163 21.12549165 -34.96113671 -3.58087038 -30.70256632 Fe 25.54313966 25.44832183 21.25980354 30.22971719 72.26546210 -71.52664556 Fe 25.30667951 24.27143892 22.30196529 20.60327124 -90.14891567 61.07559253 Fe 24.10338854 25.74759167 22.52830948 -24.69071701 23.71695553 8.11058704 Fe 21.15731064 20.92534997 24.17807258 -7.82875638 -8.64343385 -6.71493625 Fe 22.44857885 22.68843096 24.17061300 19.26788465 -71.01101763 -102.49621078 Fe 22.79169807 20.93713992 25.44630638 -11.55504101 -6.46489441 25.22129154 Fe 21.03851086 22.64982991 25.24795387 -38.05733388 -34.08127486 65.04667635 Fe 23.82929456 20.74031472 23.89476746 13.64668650 -10.86360631 -5.90895945 Fe 25.37993804 22.56448862 23.82464588 51.06968754 64.59379046 75.46386147 Fe 25.46081905 20.88905364 25.16858879 6.79198957 -5.21863417 6.38578229 Fe 24.07522465 22.49685794 25.26772449 16.24332786 -13.39896589 26.21713116 Fe 20.77715687 23.74014891 23.93198894 -30.73345018 39.20439735 -22.39344882 Fe 22.32743118 25.29546282 23.70940621 48.08778210 40.06510994 79.95615755 Fe 22.61893942 23.72956938 25.33885520 -1.13750379 83.26340079 90.09618277 Fe 20.95664901 25.49426498 25.59075923 0.38144329 -0.41994421 -0.56311424 Fe 24.12528982 24.15132506 24.17828948 -8.92960409 -3.20083021 -37.35313204 Fe 25.71182891 25.29301824 23.73241985 21.96634693 26.65223295 23.39053840 Fe 25.57255377 24.20175032 25.51258782 37.08181296 -23.24714918 12.01933271 Fe 24.16911338 25.30454100 25.62365747 -25.41796303 39.69089894 21.84229572