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=145.16118842596214 stress="-0.013175142735140278 0.00029561896374176964 -0.00017583306120532027 0.00029561896374176964 -0.013895988553854202 -0.0005629968511882585 -0.00017583306120532027 -0.0005629968511882585 -0.013354648367012533" free_energy=145.16118842596214 pbc="F F F" Zr 20.84887301 21.22083292 20.80806348 -11.88919158 -10.95048196 -4.39462851 Zr 22.61235431 22.54799150 20.90698366 19.12200623 -10.75135191 -17.83850967 Zr 22.80607110 20.82825321 22.75602478 -11.17220566 -17.46103331 -10.77940268 Zr 21.09995250 22.88620756 22.63693751 -58.43838430 -49.24782379 -27.01846670 Zr 24.50226748 20.96431997 21.04396501 -10.64354552 -15.38703540 -31.60887651 Zr 25.94736142 22.82879337 21.23854596 32.60839580 -9.44246465 -26.63315985 Zr 25.64422180 20.78229695 22.64531036 24.47988966 -25.26777890 9.29100284 Zr 24.43745344 22.64515752 22.50470777 -20.23776697 -3.99703729 8.58910472 Zr 21.27711528 24.12871118 20.75213077 -35.76075173 -5.99948959 -33.71832468 Zr 22.35625112 25.59324351 21.13616082 21.44463387 34.25119659 -42.23737006 Zr 22.09504685 24.34931441 22.84480528 23.83074771 22.20310978 -28.17958599 Zr 21.29977655 26.06043805 22.57960942 -40.66978707 44.07472259 10.63942611 Zr 24.32327937 24.44989723 21.12961200 -12.95544119 -7.36535800 -36.89512438 Zr 25.74925859 26.03220406 20.76564846 12.03600558 15.15836337 -10.52413108 Zr 25.76007600 24.54768454 22.60773691 34.85476978 -12.24059985 -12.07448223 Zr 24.11065667 26.04589611 22.59511124 7.90726141 42.99112084 -13.28425323 Zr 20.70220318 20.71755886 24.26127644 -5.84111976 -5.92363907 0.57636912 Zr 22.42812695 22.88735339 23.93064696 18.62004581 -46.04297670 27.46958681 Zr 22.83505355 21.21211731 25.82468690 -25.22239510 -30.20638661 30.33665011 Zr 21.29594673 22.78210459 25.86542854 -34.49178575 -9.24857855 19.13103119 Zr 24.10687199 20.97664413 24.49122900 16.83827637 -26.96773491 -16.58052500 Zr 25.89701293 22.44134348 24.17534241 24.43920787 6.92730661 12.84592593 Zr 25.86066276 20.81443107 25.91876171 10.40496232 -5.68918590 11.10349110 Zr 23.97051529 22.81773990 25.68222932 46.45898276 -11.11942200 19.01953970 Zr 20.76172667 24.30332204 24.13436473 -49.97346464 19.77158205 34.89756901 Zr 22.85610688 25.87316022 24.26283276 -35.38365497 48.43252438 20.41037448 Zr 22.82571341 24.07858036 26.02220807 -19.93563417 40.35270512 33.67058441 Zr 20.81991944 25.95242455 26.10691229 -3.22488239 3.51176111 3.62722506 Zr 23.96321713 24.46736445 24.03604778 37.57957127 -21.84793907 6.47086056 Zr 26.07884132 25.66724623 23.98214964 20.19381848 35.56050101 15.75398569 Zr 25.87541025 24.50551247 25.72944624 15.78147582 -14.32441775 19.31612925 Zr 24.24188881 25.93982696 25.72120060 9.23996007 26.24584176 28.61798445