32 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=47.73812974625974 stress="-0.0005174603826413982 -0.0002913720755093331 -0.00012344855051685412 -0.0002913720755093331 -0.0007556453791402834 -0.0001685424023497913 -0.00012344855051685412 -0.0001685424023497913 -0.0005579827238962591" free_energy=47.73812974625974 pbc="F F F" F 21.20070203 20.70342959 20.90085166 -1.68386803 -1.30453189 -1.51300510 F 22.62754747 22.65613098 21.01001192 5.62969301 -3.29393109 1.20912096 F 22.64173746 21.10170120 22.14358211 11.17506327 0.29897496 -4.55742815 F 20.71904386 22.50082602 22.63131698 -4.50337491 -1.97203044 -0.59742209 F 24.14302402 20.85498893 21.40811313 -0.66627936 2.77523168 11.01108576 F 25.70947124 22.35512851 21.05280714 3.10496837 0.92217142 -4.08307914 F 25.39607574 20.84655491 22.37241235 -5.90497048 -4.42383579 -6.66634915 F 23.82230844 22.41049160 22.22286420 -9.41010566 -7.65074162 -9.31938004 F 20.93858073 23.75205420 21.15488783 -4.29476242 -0.64055899 -3.91411246 F 22.55988540 25.20245745 21.16431082 8.08450842 -4.90965890 -4.71158822 F 22.31425730 23.98844065 22.53277713 0.92360947 2.79112596 1.31315389 F 20.89971974 25.37366136 22.32163340 -4.17986177 4.21053167 0.77679098 F 23.78219307 24.21813893 20.76716069 -6.79019138 6.90814581 -0.92705487 F 25.69410236 25.33096497 20.88201197 1.66315303 1.60659422 -1.08244767 F 25.43300593 23.72002482 22.44786038 3.19114977 -1.39045716 2.69915888 F 23.91661558 25.46512192 22.72586561 -6.26279459 2.95386000 7.33937974 F 21.29391194 20.72614529 24.02103145 -2.29648366 -3.28015630 -0.55230267 F 22.27761356 22.68220204 23.86373964 -1.00521783 1.18536774 -0.48023558 F 22.73573857 21.02724172 25.27538150 5.69849448 -2.12772746 -3.36553194 F 20.70296332 22.05107619 25.72083292 -1.75598029 0.53190760 1.87425186 F 23.78984966 20.98735431 23.92299150 -4.27482879 -3.09199057 8.64763210 F 25.40698366 22.39862995 23.68366752 3.85236776 3.66679277 -0.35970305 F 25.63102478 21.09995250 25.66037904 0.84620301 -0.79563813 1.06027459 F 24.01193751 23.01462087 25.46431997 -2.66327915 3.07032226 -0.34100982 F 21.04396501 24.07236142 24.20379337 -4.50056140 -1.64288336 1.05782989 F 22.73854596 25.26922180 23.78229695 14.05113489 -4.37849345 -9.03836394 F 22.52031036 24.03583440 25.52015752 1.38552712 -3.13193987 5.70324509 F 20.87970777 25.77711528 25.37871118 -1.17416297 2.45839283 1.56888530 F 23.75213077 23.94130467 23.93036083 -3.45999049 5.71584064 3.04643570 F 25.63616082 25.21397950 24.12968218 3.08389136 -1.61209719 8.80681864 F 25.71980528 24.59572327 25.67586659 2.05571584 2.91906378 -7.10358986 F 23.81148141 25.57327937 25.69989723 0.08123338 3.63234887 2.49854035