32 Lattice="63.62548828125 0.0 0.0 0.0 63.62548828125 0.0 0.0 0.0 63.62548828125" Properties=species:S:1:pos:R:3:forces:R:3 energy=-158.7889460626019 stress="8.935890976863057e-05 1.4524012619988703e-05 6.1650509313306745e-06 1.4524012619988703e-05 0.00011411014058401962 -1.1815927400716861e-05 6.1650509313306745e-06 -1.1815927400716861e-05 0.00010561548698721887" free_energy=-158.7889460626019 pbc="F F F" Zr 31.73012053 31.81102370 32.04763780 0.56440665 0.62168034 0.42833395 Zr 34.09342628 34.07219417 31.89749514 -0.28772187 -0.18142899 -0.92427270 Zr 33.98336105 31.57861402 34.08577135 0.47407822 0.72289076 0.34271928 Zr 32.01794495 34.20426969 33.96424045 -0.97457085 -0.86510444 0.56776652 Zr 36.44944570 32.11830689 31.69201790 -0.34734387 -0.42834988 0.21917885 Zr 38.67376669 34.01286537 31.68487323 -0.76333250 0.75440670 0.98977688 Zr 38.52343770 31.66466784 34.01049267 -0.89043922 1.22912722 0.37176528 Zr 36.12647538 34.03390028 33.87846151 1.29164908 -0.25179782 1.40085177 Zr 31.94181733 36.21203343 31.56479202 0.51819894 0.33149906 0.90798165 Zr 34.22200870 38.47497516 31.80311135 -0.70533576 0.10621062 0.64331812 Zr 34.01662729 36.27385499 34.22787126 0.81601634 1.42032796 -1.89663669 Zr 31.78022476 38.44825497 34.26686545 0.35458158 0.21530852 -1.18871489 Zr 36.16338912 36.51917384 31.65749571 0.99423346 -1.04821285 0.43376915 Zr 38.53143738 38.57393235 31.57943149 -0.71884978 -0.88895293 0.69478295 Zr 38.32777819 36.28793486 34.19843137 0.31959670 0.44804831 -0.71687345 Zr 36.54564322 38.87468736 33.85687075 -0.31084037 -0.65120763 0.83921107 Zr 31.83027035 31.62742211 36.50925691 0.39596492 0.85857509 -0.92479313 Zr 33.99644001 34.28153182 36.35521600 0.12010880 -1.89874560 0.67805498 Zr 33.89790092 31.56521358 38.50382158 0.46400906 0.96386286 -0.31843801 Zr 31.74860756 33.90995772 38.61922266 0.73226521 0.45243653 -0.73249866 Zr 36.29324812 31.73523053 36.50831446 0.26824882 0.74139186 -0.20071572 Zr 38.48663842 34.19427033 36.44071562 -0.55767495 -0.67895239 0.08028399 Zr 38.84743371 31.82269207 38.83998364 -1.41565483 1.29168849 -1.28093318 Zr 36.09232090 34.12172051 38.69006193 0.99465608 -0.32332340 -0.38921794 Zr 31.98257195 36.55621017 36.16510671 -1.25563977 -1.83959229 1.09876140 Zr 33.90366380 38.64668604 36.51363307 1.77387812 0.56927663 -0.66208973 Zr 33.98139287 36.25717835 38.86069014 0.32595821 0.36151518 -0.63705108 Zr 31.93029795 38.42320305 38.27945415 -0.47171860 0.11440382 0.73949315 Zr 36.12262480 36.47088923 36.16099904 1.09254826 0.36564092 1.57930328 Zr 38.73782922 38.81293181 36.60723566 -0.87948490 -1.18144263 -0.79413302 Zr 38.78429245 36.49464102 38.69082688 -1.25266667 -0.39214331 -1.01710654 Zr 36.52400290 38.73777074 38.52497623 -0.66912451 -0.93903672 -0.33187754