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=1.0816526557023052 stress="-8.220069934930604e-05 1.0275880843789017e-05 -1.852569345342884e-05 1.0275880843789017e-05 -9.073918039916818e-05 -2.0371015174259336e-05 -1.852569345342884e-05 -2.0371015174259336e-05 -7.999373546014553e-05" free_energy=1.0816526557023052 pbc="F F F" O 20.96240232 20.91661558 20.91973134 -0.05099493 -0.15420032 -0.03944807 O 22.72586561 22.86719131 22.22614529 0.27821026 0.09643000 -0.80335329 O 24.22092868 20.77761356 21.18220204 0.03295819 -0.27509752 -0.29060164 O 25.39362841 22.86535057 22.40150031 0.88263174 -0.25141064 -0.10342009 O 20.77538150 23.70296332 20.84887301 -0.26767803 0.16285581 -0.18021267 O 22.72083292 25.28984966 22.48735431 -0.49948477 0.83904857 -0.03639815 O 23.92299150 23.90698366 21.18107110 -0.59995040 -0.64235421 -0.29974923 O 25.32825321 25.63102478 22.75715656 0.48295999 0.49744601 -0.11992659 O 21.26120756 21.01193751 24.25226748 -0.34847043 -0.39398239 -0.18824208 O 22.46431997 22.54396501 25.57236142 0.25549261 -0.06429734 0.66438169 O 23.96944183 21.23854596 23.76922180 0.06572456 -0.49880801 0.16319086 O 25.28229695 22.40538636 25.68745344 0.23414842 0.01061972 0.22217008 O 21.02015752 23.87970777 24.27711528 -0.60763545 0.12528599 -0.22480016 O 22.37871118 25.25213077 25.23125112 -0.05875825 0.45295833 0.41147405 O 24.01592805 24.13616082 23.76429260 0.14250172 0.03783078 0.72789809 O 25.61241909 25.58046194 25.76988779 0.05834477 0.05767522 0.09703719