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=480.79847356747507 stress="-0.024037583805300314 0.00038306343543159215 -5.565748931227738e-05 0.00038306343543159215 -0.024507865954735062 -0.0005474316574213499 -5.565748931227738e-05 -0.0005474316574213499 -0.02395202462344336" free_energy=480.79847356747507 pbc="F F F" Zr 20.84887301 21.22083292 20.78984966 -20.92846604 -21.23845839 -12.21568209 Zr 22.48735431 22.42299150 20.90698366 9.86293824 -20.10887269 -42.82872409 Zr 22.68107110 20.82825321 22.63102478 -16.68377121 -38.83895996 -17.68642765 Zr 21.09995250 22.76120756 22.51193751 -66.75259714 -46.86013674 -23.97455327 Zr 24.27048131 20.96431997 21.04396501 -9.87309891 -45.43893065 -62.62679577 Zr 25.57236142 22.70379337 21.23854596 86.11511557 -8.44288404 -54.50518201 Zr 25.26922180 20.78229695 22.52031036 41.97970213 -45.94519821 15.77071000 Zr 24.18745344 22.52015752 22.08546202 -33.91167238 -16.88307692 35.46571825 Zr 21.27711528 23.87871118 20.75213077 -59.24959247 -11.19062278 -53.65421166 Zr 22.23125112 25.21824351 21.13616082 27.17659522 59.39963548 -83.06410634 Zr 22.23392484 24.28554431 22.71980528 -7.48605595 -18.01210207 -37.51444758 Zr 21.29977655 25.68543805 22.45460942 -76.69942399 80.60488622 10.40815338 Zr 24.07327937 24.10385270 21.12961200 -14.89000004 13.10918053 -71.40338100 Zr 25.37425859 25.65720406 20.76564846 22.62887401 26.90605725 -26.79918732 Zr 25.38507600 24.29768454 22.48273691 62.14841063 -19.14014815 -19.69608678 Zr 23.86065667 25.67089611 22.47011124 17.75075211 83.72285365 -26.22642120 Zr 20.70220318 20.71755886 23.68768031 -19.07009744 -14.13733061 6.59119901 Zr 22.39917148 22.76235339 23.84838096 -10.25164510 -56.92765414 -1.28564457 Zr 22.71005355 21.21211731 25.44968690 -42.08789221 -57.39236532 58.70241324 Zr 21.29594673 22.65710459 25.49042854 -63.27150655 -21.02105877 40.18517341 Zr 23.85687199 20.97664413 24.24122900 26.95040165 -53.15635727 -21.00463186 Zr 25.52201293 22.31634348 23.92534241 45.11570324 11.86546085 8.57861003 Zr 25.48566276 20.81443107 25.54376171 18.72112901 -14.19405570 22.86225407 Zr 23.72051529 22.69273990 25.30722932 82.80044739 -28.58441691 47.84923650 Zr 20.76172667 24.05332204 23.88436473 -74.35335644 24.35016655 36.42427501 Zr 22.73110688 25.49816022 24.01283276 -56.77953631 100.49565290 44.42752667 Zr 22.70071341 23.82858036 25.64720807 -32.87673059 62.73162933 77.94651415 Zr 21.08942344 25.45706424 25.77559981 -14.88696594 15.49479661 13.93407620 Zr 23.71321713 24.21736445 23.78604778 76.09401014 -34.28025018 16.12397160 Zr 25.70384132 25.29224623 23.73214964 50.64474516 61.37840185 30.51086072 Zr 25.50041025 24.25551247 25.35444624 33.37016926 -18.23087237 36.73502386 Zr 23.99188881 25.56482696 25.34620060 18.69341493 49.96503066 51.96976708