16 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=-34.16557049304187 stress="-21.452546855195713 -3.0269864373647053 1.9129948432221404 -3.0269864373647053 -20.721764186567746 -21.9381288686796 1.9129948432221404 -21.9381288686796 -15.072138308497767" pbc="F F F" Fe -0.08129564 0.04860922 0.20118821 0.80213711 0.70406721 0.95826465 Fe 1.70960170 1.31143450 1.33833517 -4.69954538 3.94488530 1.81024981 Fe 3.06049558 -0.03357304 0.40020085 -9.28809042 -17.50404781 -12.71606755 Fe 4.00405294 1.30383619 1.32834452 12.89422717 17.01033687 10.42995634 Fe 0.06045122 2.95894820 0.40548113 -1.13523738 -1.92619323 -0.47255044 Fe 1.56504129 4.20865944 1.36550211 -7.48866090 9.15152690 10.08006346 Fe 2.78802619 3.22277084 0.18584377 9.58546026 -7.66704278 -8.46824349 Fe 4.68362810 4.69581920 1.73028340 -1.64376898 -1.25060855 0.63830045 Fe 0.06544808 0.12435687 3.07496970 1.40958399 1.30023427 -0.82720512 Fe 1.94167886 1.67397457 4.65300231 -0.22003101 -0.19668113 -0.36318886 Fe 2.86031813 0.16993912 2.84337532 -0.86498730 -1.44163952 2.52443086 Fe 4.58780002 1.38825682 4.05262053 -0.70332471 1.15767457 -0.47934133 Fe 0.47456816 3.17895518 3.29140871 -1.31759207 -1.80872991 -1.23676172 Fe 1.67665359 4.66616440 4.47607631 0.92844941 0.21988739 0.23066877 Fe 2.78091226 3.10609294 3.03638427 2.13927335 -1.14513937 -1.40964578 Fe 4.35450498 4.37631097 4.42922666 -0.39789316 -0.54853022 -0.69893004