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=-43.3945903877 stress="0.29526822805431685 0.04624394331904851 -0.06920830140747244 0.04624394331904851 0.20166257414295613 0.038998282798320655 -0.06920830140747244 0.038998282798320655 0.04769945603427511" pbc="F F F" C 0.05280714 0.04436362 -0.05349260 1.32893647 0.55985375 0.39884920 C 1.37241235 1.32230844 1.67169915 -2.56488846 -5.13207830 3.39231541 Fe 2.72286420 -0.06141927 -0.24794580 -0.88417869 1.32728907 1.54563566 Fe 4.65488783 1.55988540 1.21439497 0.59927812 -0.28655365 -0.47359521 C 0.16431082 2.81425730 -0.01155935 6.58204498 0.16642853 -1.17130115 C 1.53277713 4.39971974 1.62592884 1.02495687 0.35026133 1.49785544 Fe 2.96097674 2.78219307 0.21813893 -6.78936373 0.62708198 -1.67585461 Fe 4.26716069 4.69410236 1.33096497 -1.82671981 -1.13960897 0.98803732 C -0.11798803 -0.06699407 2.72002482 2.97305485 2.81903353 -1.56644238 C 1.27696427 1.41661558 4.42944189 2.84529113 1.90794551 0.09693144 Fe 3.22586561 0.29391194 2.72614529 -1.54711412 3.16541710 1.69966970 C 4.52103145 1.32157856 4.68220204 -0.67064827 -0.28429491 -1.02829377 Fe -0.10637159 3.30809999 3.02724172 -4.03897953 0.19230932 -5.72659729 Fe 1.27538150 4.20296332 4.34887301 4.30967360 -3.00219959 3.40767734 C 3.42462629 3.02839561 2.98735431 0.04442544 -0.43233200 0.25153921 Fe 4.42299150 4.17620546 4.68107110 -1.38576886 -0.83855272 -1.63642631