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=414.33162100663037 pbc="F F F" Cu -0.15068153 0.42290261 -0.25520623 29 1.02282311 0.95738223 0.89942815 Zr 2.20271841 1.21959328 1.42076305 40 -7.90076351 -29.39820301 -2.78619381 Zr 1.93021045 2.62133246 0.56553014 40 -9.40872592 42.62214298 -27.93628262 Zr 3.88008940 4.33329298 1.27638353 40 -2.28587016 -11.82966216 1.62468660 Cu 2.78448959 0.06467773 2.49387237 29 6.24493386 -27.54148070 14.67715523 Zr 3.46700757 1.75970140 3.04838703 40 8.26805353 11.20174272 17.44968279 Cu 0.16556506 1.84415187 2.27159428 29 -2.19359586 -0.03150182 1.10843165 Cu 0.90570469 3.61670420 3.80489906 29 79.56760940 -81.16765759 -44.67896000 Cu 4.69513989 -0.31377275 -0.04901400 29 -0.72451174 1.02595295 0.99633922 Cu 5.91868085 1.21756783 1.52482819 29 75.98587488 -184.94592766 -49.97062248 Cu 7.49867713 2.27206177 -0.01584181 29 0.20589846 0.48147357 0.29175038 Zr 8.48544082 4.04459599 2.21651512 40 15.22643686 -18.11717512 -14.30232775 Cu 7.63015345 0.07527861 2.85444675 29 -0.78827625 0.04080269 -0.27306913 Cu 8.83709541 1.26068003 4.05725917 29 16.13771165 -18.09888841 -16.70691419 Zr 5.44565824 2.36415287 1.83443520 40 -73.91752246 179.03250929 42.98833812 Zr 6.04039364 3.99973235 3.37682516 40 2.56843666 -31.86168472 -40.05208861 Zr -0.00604036 4.79668369 0.05394815 40 -0.62644780 -0.26089323 0.07696704 Zr 1.98509789 5.91870698 1.44924472 40 -47.26173547 146.47868179 -284.65139380 Cu 2.09919139 7.59554193 -0.22988999 29 -0.50186825 0.13024962 -0.17780610 Cu 3.67025155 8.78035378 1.01617103 29 -0.54130925 -0.71802396 0.61501531 Zr 2.18590725 5.35933324 2.46828880 40 45.27477230 -153.80231858 275.76508275 Zr 3.65821888 6.04593599 4.05331247 40 7.50146614 2.24675842 6.42485498 Zr 0.56774384 7.24024689 2.42573773 40 -32.99768739 -18.83454024 -23.09887708 Zr 1.41069570 8.29587726 3.46968342 40 -6.40554017 50.89825172 -11.87944106 Zr 5.30074612 5.52567716 0.23092079 40 -24.48102562 -8.36370874 -26.98384001 Zr 6.66139799 6.18925956 1.07600542 40 28.96717615 12.23427711 28.47482273 Cu 7.21653101 7.06956183 -0.41524927 29 4.68294002 7.02294282 -10.32089671 Zr 9.07122634 8.76915166 1.32579600 40 -1.72047356 -1.52898143 0.77427955 Cu 7.49387132 5.14576779 3.09781898 29 -18.77232091 8.59991346 -0.78871701 Zr 8.70139570 6.09024073 3.85235280 40 21.80442229 14.63093633 11.80604823 Cu 5.38703745 7.99579263 2.37791336 29 -6.15866479 -6.08961737 -8.93829878 Zr 6.25596775 8.88169780 3.70342461 40 4.42654830 10.05868694 6.78484581 Zr -0.32390966 0.27730211 4.94660836 40 -1.20148447 0.43259334 -1.22086632 Zr 1.62324320 1.14234485 6.12366901 40 -76.55046161 123.77531820 -179.11364101 Cu 2.77191846 3.27490835 5.48439087 29 -98.78563046 -66.32250928 -127.12329862 Zr 3.51850112 3.78439107 6.43715694 40 98.96339372 67.24107737 127.13664892 Cu 2.04490919 0.47388604 7.09500813 29 77.95317484 -123.82543914 180.25964030 Zr 3.90717262 1.71509030 9.20402270 40 -1.87168291 0.04591380 -0.18430963 Zr -0.39049932 2.34228765 8.07954103 40 1.29438255 -0.10877146 -1.24683572 Cu 1.59098926 4.20543341 8.64240072 29 -15.54845313 -20.65305142 11.92140944 Cu 4.62162146 -0.38603302 4.87181822 29 -0.55691769 0.90118733 -0.22975560 Cu 5.78129364 1.25588787 6.97419970 29 145.68395631 -356.86695309 -118.44413086 Zr 7.98340045 2.30829075 5.01550496 40 -16.96386637 13.33259263 15.00624416 Cu 8.33214671 4.00847466 6.05713201 29 1.25037288 4.19096517 2.30844914 Cu 7.54007270 0.59831627 7.90723148 29 -53.13404164 -28.90930738 -0.47208238 Zr 8.88062682 1.31594417 7.93269775 40 52.86253663 29.69296779 0.46034850 Cu 5.39189996 2.20611724 7.28732851 29 -145.48351696 355.30575145 114.68288624 Zr 6.02625187 3.47457438 8.99238522 40 1.67498405 1.82948604 0.79883476 Zr -0.00539853 4.52901354 4.31833420 40 -79.50605365 79.68294192 45.45743099 Cu 0.74416257 5.87964707 6.74244057 29 10.95272671 -20.31431712 -1.72988396 Cu 2.24944547 7.67451629 4.61497877 29 26.68242771 -19.39982120 41.26039052 Zr 4.13390016 8.27849378 6.55556394 40 -39.72930020 88.67628255 -70.54791888 Cu 2.53147559 5.40789670 7.88988671 29 -325.87443302 -162.46066194 -295.57842350 Cu 3.26232711 5.80074168 8.49919669 29 341.38706742 183.82253430 284.93246365 Cu -0.08954848 7.39339710 6.83673239 29 -10.34768760 20.54317404 1.41237427 Zr 1.31927746 9.04545531 9.09326988 40 0.54863487 -1.35684460 -1.65953006 Zr 5.68569136 4.80814082 4.75648131 40 -13.43123858 25.12511614 48.68412435 Cu 6.66640173 6.06675744 6.33320625 29 -34.15785953 26.16360327 -44.99075917 Cu 7.05336070 7.24856239 4.62611187 29 -0.64416316 -0.96818435 3.43519562 Zr 8.79700505 8.96106924 6.53652354 40 -1.47524365 -0.80734509 -0.61959655 Cu 7.49704371 5.45087419 7.47957822 29 5.51581877 -65.82282445 26.75125326 Zr 8.29850622 6.63505101 8.06942541 40 28.00399238 41.72625306 21.18190096 Cu 4.59331847 7.25300726 7.37085007 29 40.10861091 -89.64813183 70.53736552 Cu 5.98875051 8.86481428 8.40159047 29 1.18119036 -0.09603590 -0.27792774