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=32.44665732771034 stress="-0.0008682164099275573 -5.253707942835183e-05 -8.324583044805863e-05 -5.253707942835183e-05 -0.0008046039841315793 -0.00016782252027914863 -8.324583044805863e-05 -0.00016782252027914863 -0.0007906108535935932" free_energy=32.44665732771034 pbc="F F F" O 21.05835534 20.74645637 20.98193431 -1.12954315 -0.85159223 -1.00629066 O 22.42001865 22.70070203 20.70342959 -2.82589901 2.16095856 -1.86325415 O 22.58628971 20.99793547 22.78187239 5.21523645 -4.96300433 5.43338765 O 21.01001192 22.48453339 22.55631063 -3.85482437 -0.99990636 -1.00498591 O 23.95121302 20.71904386 21.00082602 0.54468423 -1.04365827 -0.54706455 O 25.74624097 22.64302402 20.85498893 1.32394477 -1.93837044 -0.25598375 O 25.74004059 21.20947124 22.22938710 0.65445353 2.54599735 -0.75405687 O 24.05280714 22.41333883 22.34655491 1.98745088 -0.67354371 -1.73561211 O 20.87241235 23.82230844 20.91049160 1.85032650 -0.60905850 -0.63742546 O 22.22286420 25.43858073 20.75205420 -2.46547769 1.28336313 -1.29367896 O 22.65488783 24.05988540 22.35966152 0.25626728 2.35457299 -1.15726658 O 20.92995929 25.31425730 22.48844065 -0.52452214 0.39807758 -1.99534168 O 24.03277713 23.89971974 20.87366136 0.26706537 -3.02763042 -4.80797971 O 25.46097674 25.16726908 21.21813893 -0.00947550 0.11305257 0.95501549 O 25.26716069 24.19410236 22.62864951 5.44463224 4.14525270 -0.02340241 O 23.88201197 25.43300593 22.20276173 -1.32167403 1.63093068 -0.18149603 O 20.94786038 20.88672682 23.96512192 1.45979622 0.04465431 0.84278876 O 22.72586561 22.79391194 23.72614529 -1.34444179 -1.30523909 -6.11812690 O 22.52103145 20.77761356 25.38440523 -0.08459038 -1.04405010 -1.46682309 O 20.89362841 22.73573857 25.24480057 -1.92250238 0.74234793 0.00426139 O 23.77538150 20.70296332 23.70428732 -7.93808083 -2.10248639 -2.01042622 O 25.72083292 22.28984966 23.98735431 2.58623642 -3.79492797 0.03812725 O 25.42299150 20.80615514 25.52945206 1.44173322 0.38592400 -0.33109022 O 23.82825321 22.63102478 25.59995250 1.67641346 -5.19135121 4.76504461 O 21.26120756 24.01193751 24.25226748 -5.08365643 -2.40116136 1.66339076 O 22.46431997 25.54396501 24.28241497 -2.19084891 3.64574895 0.91310099 O 22.91591068 24.23854596 25.26922180 0.44028489 7.59967461 6.98744024 O 20.78229695 25.52031036 25.68745344 -0.60938643 0.81972449 0.06723317 O 23.96984442 23.87970777 24.27711528 -3.57891954 -4.29743413 2.23373883 O 25.37871118 25.25213077 24.02719785 5.61640202 1.58216110 -0.58540378 O 25.37534811 24.13616082 25.25472114 2.75861820 3.36604433 0.86227228 O 24.12968218 25.57667726 25.79977655 1.36029690 1.42492922 3.00990763