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=-39.30486724468329 stress="0.00017892345944536854 4.691169752636748e-05 5.509053734294528e-05 4.691169752636748e-05 0.00016570419387148508 -1.1446731875029903e-05 5.509053734294528e-05 -1.1446731875029903e-05 0.0001595164947551518" free_energy=-39.30486724468329 pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 1.01731904 0.62239475 0.70698001 Fe 22.70960170 22.31143450 22.33833517 -1.17726530 2.11068669 0.86112294 Fe 23.64028300 20.83509776 21.14041416 0.41516985 -0.58462325 -0.02215489 Fe 25.27812781 22.51878885 22.32834452 -0.91788298 0.22989851 0.64097318 Fe 20.87679405 23.95894820 21.20259391 0.89760303 -0.87147433 0.55009510 Fe 22.56504129 25.20865944 22.36550211 -1.97465220 1.86956920 2.05771758 Fe 23.78802619 24.22277084 21.18584377 1.86498555 -1.82008883 -1.25244386 Fe 25.68362810 25.69581920 22.64685009 -1.21452688 -1.06672361 0.50834050 Fe 21.26959405 21.17626233 23.82970020 0.62749451 0.59756893 0.02414308 Fe 22.70996341 22.49207130 25.65300231 0.32619675 0.44358733 -1.24935487 Fe 24.03848316 20.95774659 23.91852158 -0.63899677 0.81009769 -0.30759370 Fe 25.45789336 22.38825682 25.27041603 -0.95535153 0.78316427 -0.79900920 Fe 21.19178619 24.17895518 24.29140871 0.82921743 -0.88487865 -0.79352814 Fe 22.61455359 25.53253581 25.64904689 0.61169483 -0.90327058 -0.40970646 Fe 23.78091226 24.10609294 23.96603997 0.97928526 -0.72875526 0.33881586 Fe 25.30598025 25.32157598 25.51361598 -0.69029060 -0.60715283 -0.85439713