32 Lattice="6.5 0.0 0.0 0.0 6.5 0.0 0.0 0.0 6.5" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=145.16118842596185 pbc="F F F" Zr -0.15112699 0.22083292 -0.19193652 40 -11.88919158 -10.95048196 -4.39462851 Zr 1.61235431 1.54799150 -0.09301634 40 19.12200623 -10.75135191 -17.83850967 Zr 1.80607110 -0.17174679 1.75602478 40 -11.17220566 -17.46103331 -10.77940268 Zr 0.09995250 1.88620756 1.63693751 40 -58.43838430 -49.24782379 -27.01846670 Zr 3.50226748 -0.03568003 0.04396501 40 -10.64354552 -15.38703540 -31.60887651 Zr 4.94736142 1.82879337 0.23854596 40 32.60839580 -9.44246465 -26.63315985 Zr 4.64422180 -0.21770305 1.64531036 40 24.47988966 -25.26777890 9.29100284 Zr 3.43745344 1.64515752 1.50470777 40 -20.23776697 -3.99703729 8.58910472 Zr 0.27711528 3.12871118 -0.24786923 40 -35.76075173 -5.99948959 -33.71832468 Zr 1.35625112 4.59324351 0.13616082 40 21.44463387 34.25119659 -42.23737006 Zr 1.09504685 3.34931441 1.84480528 40 23.83074771 22.20310978 -28.17958599 Zr 0.29977655 5.06043805 1.57960942 40 -40.66978707 44.07472259 10.63942611 Zr 3.32327937 3.44989723 0.12961200 40 -12.95544119 -7.36535800 -36.89512438 Zr 4.74925859 5.03220406 -0.23435154 40 12.03600558 15.15836337 -10.52413108 Zr 4.76007600 3.54768454 1.60773691 40 34.85476978 -12.24059985 -12.07448223 Zr 3.11065667 5.04589611 1.59511124 40 7.90726141 42.99112084 -13.28425323 Zr -0.29779682 -0.28244114 3.26127644 40 -5.84111976 -5.92363907 0.57636912 Zr 1.42812695 1.88735339 2.93064696 40 18.62004581 -46.04297670 27.46958681 Zr 1.83505355 0.21211731 4.82468690 40 -25.22239510 -30.20638661 30.33665011 Zr 0.29594673 1.78210459 4.86542854 40 -34.49178575 -9.24857855 19.13103119 Zr 3.10687199 -0.02335587 3.49122900 40 16.83827637 -26.96773491 -16.58052500 Zr 4.89701293 1.44134348 3.17534241 40 24.43920787 6.92730661 12.84592593 Zr 4.86066276 -0.18556893 4.91876171 40 10.40496232 -5.68918590 11.10349110 Zr 2.97051529 1.81773990 4.68222932 40 46.45898276 -11.11942200 19.01953970 Zr -0.23827333 3.30332204 3.13436473 40 -49.97346464 19.77158205 34.89756901 Zr 1.85610688 4.87316022 3.26283276 40 -35.38365497 48.43252438 20.41037448 Zr 1.82571341 3.07858036 5.02220807 40 -19.93563417 40.35270512 33.67058441 Zr -0.18008056 4.95242455 5.10691229 40 -3.22488239 3.51176111 3.62722506 Zr 2.96321713 3.46736445 3.03604778 40 37.57957127 -21.84793907 6.47086056 Zr 5.07884132 4.66724623 2.98214964 40 20.19381848 35.56050101 15.75398569 Zr 4.87541025 3.50551247 4.72944624 40 15.78147582 -14.32441775 19.31612925 Zr 3.24188881 4.93982696 4.72120060 40 9.23996007 26.24584176 28.61798445