32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=493.0186825321847 stress="-8.570199169671989 0.457465332445722 0.32367665286040664 0.457465332445722 -8.736829343457963 -0.2985049705366459 0.32367665286040664 -0.2985049705366459 -7.949474381169922" free_energy=493.0186825321847 pbc="F F F" Cu 0.27410067 0.26988087 0.17980802 -63.87687392 -73.97466754 -44.54886592 Zr 1.43886369 1.43626581 0.24706405 -4.16339773 82.23087808 -120.01169155 Cu 1.44011901 0.27405519 1.65064923 26.52204005 -171.65542618 -28.95837270 Zr 0.21143441 1.50744077 1.63429394 -149.34266327 37.48334566 -9.13989285 Zr 2.48966562 0.16754397 0.13362984 54.75248356 -95.47320548 -100.74499865 Zr 4.21613035 1.78327362 0.16487885 104.62160368 -10.67914214 -81.64522815 Cu 4.31440760 0.24493277 1.44016802 30.72994700 -42.32416396 20.81335222 Cu 3.06951622 1.46388366 1.32361843 28.16659182 36.75134975 68.12834659 Zr 0.15243761 2.93596390 0.09738049 -39.59395847 10.01244772 -46.62216207 Zr 1.47332707 4.72747435 0.01481847 -8.47306474 26.04209406 -45.11458787 Cu 1.58558457 2.93586680 1.74957118 17.30904897 92.26767862 -11.28190983 Cu 0.00272178 4.53054341 1.47200325 -21.10047580 16.97196364 24.96746991 Cu 2.99539387 2.99376653 0.07729262 -37.19264791 12.48115444 -35.81533905 Cu 4.24882695 4.23302936 0.11368846 50.80649337 10.31466522 -33.33380601 Cu 4.20798932 3.28882868 1.76876973 32.22713101 -57.95173010 -35.69932011 Zr 2.84236294 4.63413190 1.21642464 -19.50678585 80.23269808 36.46629651 Zr 0.12109083 0.03607842 2.82211538 -78.61004791 -60.76637765 55.94865918 Zr 1.55151300 1.44871555 2.72500585 4.78003336 50.55852533 129.41095304 Cu 1.61307636 0.18102060 4.51556730 -11.63550562 -36.27148132 18.50415564 Zr 0.19449984 1.78380155 4.30656208 -67.13608581 -65.09893851 64.00804516 Cu 2.74001728 0.29600682 2.70116975 76.15485220 -66.12718613 29.82705930 Cu 4.63029344 1.24074451 3.16838664 31.61597052 31.54126404 -45.98283167 Zr 4.23875427 0.05709547 4.43261234 31.05136959 -79.75579201 31.66267365 Zr 3.24149348 1.31520530 4.74884063 -19.87728740 50.32548952 45.76561368 Cu 0.13921287 2.92909857 3.06209641 -36.64678214 75.30660284 -22.87274497 Cu 1.79941889 4.47054765 3.18259565 -78.35577077 43.05775916 -50.69038573 Cu 1.39705932 2.96887479 4.56013337 34.70682374 11.57804585 40.35517496 Zr 0.16039283 4.50626128 4.60158534 -35.01072394 38.17613078 20.53886805 Zr 3.04765730 3.26267270 3.41145514 14.74041342 -63.08702234 -19.19294630 Zr 4.67504889 4.61860870 2.71309232 37.31376370 61.93787241 26.49564103 Cu 4.45779895 3.18739928 4.43975670 61.92971976 -12.50749429 39.48493596 Zr 2.94820945 4.66685013 4.37201292 33.09378552 68.40266247 79.27783853