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=528.4291662946142 stress="-0.024180229996925682 0.0003536353263480494 0.0009093011891879935 0.0003536353263480494 -0.025708677851633454 0.0011547087042441133 0.0009093011891879935 0.0011547087042441133 -0.025148291526457832" free_energy=528.4291662946142 pbc="F F F" Zr 21.15488783 21.05988540 20.70245745 -35.62659537 -22.19630737 -32.36916612 Zr 22.66431082 22.31425730 20.98844065 -48.98314422 27.54283112 -59.59103465 Zr 22.34912061 20.89971974 22.29900377 8.72248359 -69.19192119 -3.03291084 Zr 20.96097674 22.28219307 22.71813893 -92.47890541 17.13314059 -83.05146011 Zr 23.76716069 21.19410236 20.83096497 37.09311586 -78.72296812 -50.22082814 Zr 25.38201197 22.41866868 20.72002482 47.74967183 6.64369923 -41.98661181 Zr 25.27696427 20.91661558 22.27955299 36.81493131 -36.27391720 8.26492531 Zr 24.22586561 22.79391194 22.22614529 38.54910415 -36.11651463 37.81889880 Zr 21.02103145 23.82137526 21.18220204 -53.13539951 -10.42537838 -64.24708204 Zr 22.11414370 25.73573857 21.02724172 32.96631838 41.62684994 -61.42063945 Zr 22.27538150 23.70296332 22.54161291 26.80981474 24.78636173 -20.37777532 Zr 21.22083292 25.28984966 22.29458363 -66.25098253 51.82099546 41.47155115 Zr 23.68471817 23.90698366 21.18107110 9.74994605 69.33954060 -84.37906389 Zr 25.32825321 25.63102478 21.09995250 18.85292554 13.49696413 -22.07574570 Zr 25.76120756 24.01193751 22.75226748 53.40883152 18.39279809 -30.28576277 Zr 23.96431997 25.54396501 22.62568346 27.80122850 41.59673240 -23.83185925 Zr 21.20379337 21.23854596 23.76922180 -44.36240840 -126.46466783 56.81755431 Zr 22.28229695 22.52031036 24.18745344 60.43509625 -37.51571222 24.28916831 Zr 22.40452226 20.87970777 25.77711528 5.47955772 -25.39138855 25.77965959 Zr 20.87871118 22.48323766 25.23125112 -67.54212994 -7.89708949 77.13688355 Zr 23.71824351 21.13616082 23.76429260 23.39061109 -48.45283719 19.42216073 Zr 25.62968218 22.71980528 24.29977655 79.04655082 -74.05867997 -39.87796174 Zr 25.68359827 20.95460942 25.57327937 12.33911123 -23.90128112 12.94503151 Zr 24.19989723 22.62961200 25.37425859 -18.94586133 -57.85021091 92.61604846 Zr 21.15720406 23.76564846 23.88507600 -95.79679685 68.66859630 19.17689164 Zr 22.79768454 25.48273691 23.86065667 -39.95567303 56.68812692 19.02881873 Zr 22.67089611 23.97011124 25.20220318 -22.85655337 30.45769643 85.50389658 Zr 20.73039161 25.35541431 25.39917148 -12.88543763 16.94784112 14.28214266 Zr 24.26235339 23.84838096 24.21005355 -16.30349038 47.12472885 -35.79711938 Zr 25.71211731 25.44968690 24.49666013 32.09904770 66.78524237 -16.45087449 Zr 25.65710459 23.99042854 25.35687199 55.75685587 20.76220018 93.41916723 Zr 23.80522449 25.74122900 25.52201293 8.05817581 34.64452868 41.02309715