64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=549.2512579584711 pbc="F F F" Cu -0.15068153 0.42290261 -0.25520623 29 0.92036345 0.90097045 0.71312971 Zr 2.20271841 1.21959328 1.42076305 40 -13.49879391 -22.34418480 -25.04231855 Zr 1.93021045 2.62133246 0.56553014 40 -9.47284016 42.63622840 -27.80427997 Zr 3.88008940 4.33329298 1.27638353 40 -1.32522821 -12.09672839 1.60939444 Cu 2.78448959 0.20357008 2.80249111 29 2.07941677 -96.66871051 14.97072232 Zr 3.05306978 1.68113249 3.24207462 40 3.41678201 52.60075876 28.45053269 Cu 0.16758384 2.10081725 2.59534384 29 -6.84689451 -29.91135664 -22.48657804 Cu 0.44028329 3.38745125 3.58035139 29 20.17697742 -16.56497473 -26.47469883 Cu 4.94555833 0.11155488 -0.04901400 29 -0.76267115 0.38277163 0.17933390 Cu 5.91868085 1.21756783 1.52482819 29 19.72160854 -20.84630178 -20.45142991 Cu 7.49867713 2.27206177 -0.01584181 29 -0.48367206 0.49666618 0.89736518 Zr 8.48544082 4.04459599 2.21651512 40 90.87737788 -111.43914677 -49.91514137 Cu 7.63015345 0.07527861 2.85444675 29 -0.70475969 -0.07365180 -0.57367388 Cu 8.83709541 1.26068003 4.19742692 29 120.23202738 -124.39187935 -36.51066759 Zr 4.87253225 2.36415287 2.64143805 40 -10.43676629 15.06023369 6.33507995 Zr 5.95728402 3.70317964 3.75904931 40 15.14633617 -4.29452715 -1.95739402 Zr -0.00604036 4.79668369 0.05394815 40 -0.71785887 -0.40371728 0.11839698 Zr 1.98509789 5.91870698 1.44924472 40 -47.32796383 145.63161266 -283.97350938 Cu 2.09919139 7.59554193 -0.22988999 29 -0.25719517 0.92363302 -1.00018812 Cu 3.67025155 8.78035378 1.01617103 29 -0.22141397 -0.95743527 0.68639370 Zr 2.18590725 5.35933324 2.46828880 40 44.24650607 -154.76638493 276.61676646 Zr 3.65821888 6.04593599 4.05331247 40 -0.57057561 6.13411155 -2.21559766 Zr 0.56774384 7.24024689 2.42573773 40 -32.99622821 -19.01428808 -22.71099647 Zr 1.41069570 8.29587726 3.46968342 40 -18.48362293 59.69107795 -28.00378090 Zr 5.30074612 5.52567716 0.23092079 40 -24.33371858 -8.11649511 -27.28777161 Zr 6.66139799 6.18925956 1.07600542 40 14.20983437 1.58212986 50.11737786 Cu 7.21653101 7.06956183 -0.41524927 29 14.51889595 22.25692358 -36.44766970 Zr 9.07122634 8.76915166 1.32579600 40 -1.71151223 -1.63389380 0.85495204 Cu 7.66486477 4.99278689 2.62969087 29 -122.88415187 60.90345137 24.05060030 Zr 8.70139570 6.06689414 3.37775954 40 41.82503192 42.59820640 29.48966007 Cu 5.38703745 8.22539250 2.67459645 29 -37.80677506 -12.08889993 -41.34870135 Zr 6.50306836 8.56443900 3.90129706 40 -31.74130016 65.77445076 4.98918815 Zr 0.25280964 -0.30579669 4.90164290 40 -2.87030262 -2.49394901 -3.59024767 Zr 1.62324320 1.14234485 6.12366901 40 -58.43928834 102.95486638 -140.61136033 Cu 3.02202568 3.15955086 4.70994347 29 -1.76147458 14.68109816 12.87913298 Zr 4.15383612 3.93960505 6.73761879 40 -34.63572945 17.56385251 -12.31117986 Cu 2.04490919 0.47388604 7.09500813 29 62.46292749 -98.70215574 143.65291676 Zr 4.19364230 1.66818835 8.90338195 40 -4.57987163 -3.78194319 3.56005365 Zr -0.16082502 2.50940661 8.11201752 40 -1.92096640 -2.25411294 -1.72395826 Cu 1.46978119 4.03037595 8.65189486 29 0.55174302 -1.35925696 2.49581883 Cu 4.65312700 -0.17263040 5.17722615 29 -0.50664272 1.29240017 -0.14083825 Cu 6.35015347 1.74659826 6.71124290 29 8.31493845 -9.52439210 -37.32802799 Zr 7.98340045 2.15271953 4.46302816 40 -125.02435518 106.16887319 23.52225865 Cu 8.45669553 3.67277914 5.74454074 29 4.66914373 17.96905326 15.18494578 Cu 7.13277885 0.64369056 7.73977780 29 3.71499166 -19.78851175 13.33287447 Zr 9.09982504 1.11581573 8.55448728 40 7.65261202 2.79130095 2.55398294 Cu 5.49158643 2.87474057 7.52684650 29 -11.85303179 -53.10561143 -2.45108549 Zr 5.99299875 4.16312157 8.25552542 40 5.76472293 43.89284601 40.88696631 Zr 0.12829742 4.46124907 4.71930199 40 -13.09257507 45.65678695 47.99143104 Cu 0.62249226 5.47163391 6.82655910 29 0.31621577 0.18662316 1.45551873 Cu 2.24944547 7.67451629 4.61497877 29 35.66440701 -24.52619418 58.81368233 Zr 4.13390016 8.27849378 6.55556394 40 -38.92379949 83.68301382 -67.77642199 Cu 2.53147559 5.40789670 7.88988671 29 -338.74100774 -179.09034887 -285.71732855 Cu 3.26232711 5.80074168 8.49919669 29 340.93590283 183.49153162 284.88499702 Cu -0.27554976 7.44732919 6.85214279 29 0.59760845 0.90226230 -0.07333097 Zr 1.32189001 9.05519973 8.48043198 40 0.76582238 -1.69865866 -1.44596581 Zr 5.18801764 5.04128549 5.00060156 40 8.34094208 10.08607837 14.52785729 Cu 6.87781009 6.35370229 6.15431760 29 -1.63494520 0.77852804 -2.29411494 Cu 7.55604905 7.73545109 4.45795250 29 67.44282083 -50.74968118 38.44917463 Zr 9.07788539 9.18412528 6.54867077 40 -1.30776995 -1.05890411 -0.48444445 Cu 7.49704371 5.45087419 7.97637362 29 -34.99032378 -66.29973235 -4.47374870 Zr 8.29850622 6.63505101 7.99675475 40 58.13158064 84.89390698 3.13375701 Cu 4.59331847 7.25300726 7.37085007 29 38.13210437 -85.11512117 66.66788362 Cu 5.93773054 9.03227645 7.98628021 29 2.03638482 0.59490185 0.55430482