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=119.55037754642672 stress="-0.004186174454387279 4.010960246907782e-06 -0.00010372580535816532 4.010960246907782e-06 -0.004248700361575844 -0.0001374958609679274 -0.00010372580535816532 -0.0001374958609679274 -0.004136298934250368" free_energy=119.55037754642672 pbc="F F F" Cd 20.74645637 20.98193431 20.92001865 -2.81127378 -3.10964357 -2.51774488 Cd 22.70070203 22.20342959 20.90085166 -12.66661105 13.55472228 -18.48728760 Cd 22.49793547 21.28187239 22.51001192 -13.82106214 -20.33393740 2.16495774 Cd 20.98453339 22.55631063 22.45121302 -10.90591958 -0.11757453 1.36900642 Cd 23.71904386 21.00082602 21.24624097 15.81344996 -23.99395125 -11.26328244 Cd 25.64302402 22.55488616 21.11042859 4.04116964 -13.16057532 -19.40424137 Cd 25.70947124 20.85512851 22.68241913 3.87868671 -8.48551318 -2.12589667 Cd 23.91333883 22.34655491 22.37241235 11.03602820 7.64397712 1.57525354 Cd 20.82230844 23.78475019 20.72286420 -3.04263888 0.55165463 -4.29379222 Cd 22.43858073 25.25205420 21.15488783 -4.36078067 7.66094358 -4.78371125 Cd 22.55988540 23.70245745 22.66431082 -2.54723498 7.42257210 -2.13466851 Cd 20.81425730 25.48844065 22.53277713 -5.30191727 6.15560050 -4.37437975 Cd 23.89971974 24.03086542 20.96097674 1.48746319 -6.95551959 -12.92300951 Cd 25.28219307 25.71813893 20.76716069 5.81620069 4.40322668 -6.35955877 Cd 25.69410236 23.59661343 22.26708798 10.15912241 16.80240937 7.65043607 Cd 24.23069047 25.22002482 22.25970117 -5.12596285 11.86174186 -0.76332006 Cd 20.91661558 20.96512192 24.22586561 -11.32600249 -8.96293356 -7.92281794 Cd 22.79391194 22.22614529 23.88168812 -2.63222641 12.14482289 5.69382670 Cd 22.27761356 21.18220204 25.39362841 2.62483820 -13.70493303 18.37782810 Cd 21.23573857 22.52724172 25.27538150 -14.48224295 10.82540568 6.99724974 Cd 23.70296332 20.84887301 24.39172903 10.16746564 -16.54551812 -3.66871817 Cd 25.28984966 22.45746554 23.62519468 5.33452067 0.19169540 11.58927372 Cd 25.40698366 21.18107110 25.32825321 7.18837277 -3.48802683 4.94857809 Cd 23.84858364 22.59995250 25.76120756 8.24632284 -5.59327764 10.30117638 Cd 21.01193751 24.25226748 23.96431997 -9.16908540 -6.33612979 2.76253083 Cd 22.39937931 25.57236142 24.10296485 5.99136582 9.27927322 -3.05487828 Cd 22.73854596 23.76922180 25.28229695 -5.64366748 12.02288839 4.57312175 Cd 21.02031036 25.68745344 25.52015752 -4.18746746 3.04742857 6.62068067 Cd 24.14206116 24.27711528 23.87871118 -15.84325917 -16.99591264 8.04534638 Cd 25.25213077 25.23125112 23.71824351 26.96773968 20.09587507 5.11273401 Cd 25.63616082 23.76429260 25.62968218 4.49383907 1.39441176 2.66029430 Cd 24.06818624 25.79977655 25.68543805 0.62076708 2.72479737 3.63501296