16 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=-34.16557049304189 stress="-0.00028955494621525066 -4.085663585688057e-05 2.5820576115190083e-05 -4.085663585688057e-05 -0.000279691234566564 -0.00029610907122178386 2.5820576115190083e-05 -0.00029610907122178386 -0.0002034356212679212" pbc="F F F" Fe 20.91870436 21.04860922 21.20118821 0.80213711 0.70406721 0.95826465 Fe 22.70960170 22.31143450 22.33833517 -4.69954538 3.94488530 1.81024981 Fe 24.06049558 20.96642696 21.40020085 -9.28809042 -17.50404781 -12.71606755 Fe 25.00405294 22.30383619 22.32834452 12.89422717 17.01033687 10.42995634 Fe 21.06045122 23.95894820 21.40548113 -1.13523738 -1.92619323 -0.47255044 Fe 22.56504129 25.20865944 22.36550211 -7.48866090 9.15152690 10.08006346 Fe 23.78802619 24.22277084 21.18584377 9.58546026 -7.66704278 -8.46824349 Fe 25.68362810 25.69581920 22.73028340 -1.64376898 -1.25060855 0.63830045 Fe 21.06544808 21.12435687 24.07496970 1.40958399 1.30023427 -0.82720512 Fe 22.94167886 22.67397457 25.65300231 -0.22003101 -0.19668113 -0.36318886 Fe 23.86031813 21.16993912 23.84337532 -0.86498730 -1.44163952 2.52443086 Fe 25.58780002 22.38825682 25.05262053 -0.70332471 1.15767457 -0.47934133 Fe 21.47456816 24.17895518 24.29140871 -1.31759207 -1.80872991 -1.23676172 Fe 22.67665359 25.66616440 25.47607631 0.92844941 0.21988739 0.23066877 Fe 23.78091226 24.10609294 24.03638427 2.13927335 -1.14513937 -1.40964578 Fe 25.35450498 25.37631097 25.42922666 -0.39789316 -0.54853022 -0.69893004