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=162.7894531483445 stress="-0.01210900250390468 0.0022202143812197453 0.00030019963388059083 0.0022202143812197453 -0.013187462979587039 -0.0009853356609384638 0.00030019963388059083 -0.0009853356609384638 -0.011304258406032391" free_energy=162.7894531483445 pbc="F F F" Fe 20.96512192 21.22586561 21.29391194 -52.36278270 -176.07210278 -106.00553843 Fe 22.22614529 22.23424858 20.77761356 -6.22395251 65.19972034 -40.87018937 Fe 22.68220204 21.11099285 22.73573857 -55.50705086 3.56706007 -84.96433182 Fe 21.02724172 22.27538150 22.20296332 -29.83727905 130.32273778 128.85010713 Fe 23.63492079 21.42467424 20.79025991 70.02855738 -43.02034667 -3.70304283 Fe 25.48735431 22.67850397 20.76142990 42.13402002 -37.54537799 -0.95135793 Fe 25.67295991 20.89308018 22.47722539 -0.20288398 -0.55714698 -0.29389624 Fe 24.09995250 22.76120756 22.51193751 -18.01595977 -23.28023669 -18.73239243 Fe 21.25226748 23.96431997 21.04396501 -31.53571618 2.37425899 -38.04615264 Fe 22.57236142 25.40954762 21.23854596 32.20496302 13.62164052 -26.36898913 Fe 22.26922180 23.78229695 22.52031036 26.90526312 35.99176961 -25.49331095 Fe 21.18745344 25.48978976 22.37970777 -34.43615980 17.02763700 24.48334130 Fe 24.27711528 23.87871118 20.75213077 -74.46751889 -6.33754032 -21.50112682 Fe 25.23125112 25.21824351 21.13616082 68.12121647 43.91128584 -59.04870113 Fe 25.26429260 24.28554431 22.71980528 53.44981474 -39.34595075 -3.82547492 Fe 24.29977655 25.68543805 22.45460942 -65.22164039 63.44528687 31.92536481 Fe 21.07327937 21.19989723 24.03356746 -28.00913475 -25.01496054 -2.07777317 Fe 22.20652459 22.65720406 23.76564846 37.48876741 -39.09932947 49.04992495 Fe 22.38507600 21.02818054 25.48273691 6.90847473 -1.75987950 13.77661617 Fe 20.86065667 22.67089611 25.47011124 -10.59613416 -17.98380927 29.01206498 Fe 23.70220318 20.71755886 23.85541431 71.93772721 -26.95900068 73.53249646 Fe 25.39917148 22.76235339 23.84838096 21.84018190 -17.96718736 20.92912637 Fe 25.66636603 21.46055650 25.59401351 50.92774509 -37.85053516 -4.25378245 Fe 24.29594673 22.41733951 25.73892596 -58.53185159 25.43909608 8.23427302 Fe 21.11599089 23.97664413 24.24122900 -37.46454894 12.48437190 -25.50613432 Fe 22.52201293 25.31634348 24.11553566 -18.11409479 58.61210531 -4.66777579 Fe 22.68443990 23.92324420 25.54376171 1.88889669 -5.23702585 25.72871328 Fe 20.85301785 25.54705860 25.08734644 -17.18554151 30.23556107 22.63833928 Fe 23.76172667 24.18904331 23.88436473 34.43356783 -31.19479611 10.04893007 Fe 25.46498184 25.58317948 24.07886664 15.71279248 15.36230338 16.90152850 Fe 25.70071341 23.82858036 25.65414163 8.60023458 10.30870669 3.75122646 Fe 24.25444097 25.68286502 25.70426301 -4.86997281 1.32168466 7.44791759