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=-219.98279056053994 stress="0.0047302315344274325 8.343620416383553e-05 -0.00011702769583414595 8.343620416383553e-05 0.0050073680690664625 5.096332857120045e-05 -0.00011702769583414595 5.096332857120045e-05 0.005116001819702883" pbc="F F F" C 20.94040270 21.21759557 20.80808133 4.82899336 6.51555837 7.55282827 C 22.63196892 22.71347466 20.91018934 5.78795283 7.74727448 16.30897453 C 22.24703976 20.88013299 22.61140388 -3.58429581 10.87805633 9.30228214 C 21.03090982 22.55936470 22.28958327 10.31706633 5.06295574 -8.78668546 C 23.91273049 21.12322868 21.09407717 1.67531007 11.95109864 7.78440276 C 25.41802830 22.37873478 20.72219576 -9.74764381 -0.19899010 6.58572708 C 25.31147707 21.00188089 22.61785509 -12.56584155 7.81453775 7.50747373 C 23.81896057 22.73157572 22.45284428 -7.76901569 11.54419862 -3.27961344 C 20.83104436 23.89593249 21.24627381 12.43417167 -3.76972315 14.24613979 C 22.69124165 25.20214277 20.93824135 4.56526219 -16.75185718 11.77927615 C 22.57666000 23.96519258 22.32396445 8.51018143 -4.52996453 -7.42048402 C 20.99935362 25.39592152 22.39357302 8.87124168 -12.69451542 0.99157317 C 23.76491836 23.81733178 20.78831901 -9.63930468 -0.89523926 17.65027638 C 25.63050895 25.39925618 21.10492737 -7.05331876 -9.45001692 10.27751992 C 25.21787348 24.19764009 22.18215309 -11.55325255 7.57496538 -3.30271762 C 24.01578990 25.65264358 22.62311364 -0.36898472 -15.26858647 2.94294042 C 21.29668560 20.90150450 23.97229868 17.56010541 10.62653452 -3.81681125 C 22.61493595 22.20161348 24.15279120 4.49875364 -4.80619676 10.11793247 C 22.72897096 20.98113262 25.31863048 1.24969700 15.84148063 -16.69320844 C 20.93004120 22.60088756 25.38534055 8.89430145 2.42806486 -8.48421984 C 24.16088069 20.79811157 23.87912908 0.89526042 11.80134779 -4.18181069 C 25.50594425 22.44379462 23.93619533 -9.93358715 -5.60323207 -3.27573098 C 25.65331521 21.03625837 25.68877767 -3.44676356 2.94590884 -4.64434357 C 23.73359515 22.62397395 25.43396304 -5.78906283 -7.89850676 -14.54595600 C 20.93340798 24.20548168 24.09955083 8.23333214 6.08507159 5.23438632 C 22.48711733 25.54146859 23.82346705 2.66000160 -13.94503626 -5.91328628 C 22.79171193 23.79623399 25.28092650 -0.30336966 -0.41274604 -17.06766114 C 20.74162226 25.30275613 25.34180653 4.66703517 -8.99047328 -10.62763238 C 23.71988257 24.01272383 23.82395780 -11.14792983 -3.80851007 -3.87782092 C 25.73721587 25.51232321 23.78100474 -8.20234110 -4.66270952 -3.53513422 C 25.43718889 24.24467879 25.77409594 -7.42480933 3.50428791 -4.84735467 C 24.18361162 25.72260122 25.60606562 2.88085464 -8.63503766 -3.98126222