64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=53.66610321050518 stress="-0.001636740737325521 -0.0006403167916626823 -2.0275369353784055e-06 -0.0006403167916626823 -0.0025287517041040373 -0.00026023281512700506 -2.0275369353784055e-06 -0.00026023281512700506 -0.0018908704919212403" pbc="F F F" Cu 34.95090640 35.18546883 34.58901709 0.68194923 0.58568849 0.88096353 Zr 37.01564031 36.71667680 36.72661173 -12.03525589 44.21408836 -19.98211062 Zr 38.26124696 38.06296286 34.84600273 2.20894077 -11.98194870 -33.44402487 Cu 38.18818760 38.68394623 36.47382398 3.01841143 11.26897347 25.82619701 Cu 37.45381834 35.24170572 37.18717708 12.09010740 -51.71384228 12.29495141 Zr 38.95313122 35.85690137 38.80483852 -4.10263666 12.18428169 -3.96867293 Cu 35.02521663 36.81468487 37.58281451 -6.34305146 0.12478621 2.85207696 Zr 36.64786233 39.08129035 38.30415239 -20.64707084 -35.85025715 19.47521483 Cu 40.43399638 34.56341300 35.12876493 -18.68367251 -50.13834414 -20.58083893 Zr 40.94433245 35.95452046 35.70493338 14.43855051 51.42646997 18.38909525 Zr 42.82155485 37.45039368 34.83899848 -1.27229175 -1.00105497 -0.24578802 Cu 43.97282094 39.24495895 35.81079469 0.97133483 2.26295451 0.46642693 Zr 42.49705666 34.96148034 37.19785551 2.19380356 -0.54120259 3.57569147 Cu 43.95728435 36.61962846 39.15586033 -0.79296209 -0.08441963 -0.44146589 Zr 40.23165455 37.85640122 37.37501571 -25.92378302 -35.23971078 -29.95480735 Cu 41.07230587 38.88196207 38.28286236 11.90722658 28.34817661 32.36794749 Zr 35.47868809 40.34719236 35.51737455 -16.06798195 -24.39565625 -21.17976796 Cu 36.28776017 41.57181618 36.58108167 33.64108330 -0.91959927 -45.79040117 Zr 37.71955064 42.21167383 35.06010042 8.54095714 2.94767896 -8.08741682 Cu 38.40847890 43.72544977 37.00880943 -4.93880745 6.34049785 -0.82285704 Zr 37.40698199 40.43136098 37.56698366 7.70618483 -12.37522363 -32.80309498 Zr 38.25996911 41.45774368 38.52841774 23.42584102 26.21927377 42.09928729 Zr 35.43037883 42.30517807 37.61806500 -47.33058693 12.35543841 15.92555509 Zr 35.45200845 43.30310611 38.98591902 -7.71512420 32.14712688 33.20262406 Cu 40.52360477 40.67677334 34.70147784 -17.65780382 -12.64090985 -24.50069085 Cu 41.18972545 40.87809763 36.23763196 -19.05435216 -56.11006753 57.96244815 Zr 41.75029635 42.05851288 35.46209557 24.99766705 59.40365605 -34.55554673 Zr 43.43270701 43.28756462 35.87555308 10.54498529 7.15430583 3.84253077 Zr 42.85535711 39.53756613 38.00504379 17.39182481 6.72069691 -1.61305066 Cu 43.93260870 42.15971237 39.00475428 34.50772550 -4.66764388 -14.49294385 Cu 39.56692584 42.32203535 37.37151043 16.79168649 1.69786899 -8.62561342 Cu 40.80712670 43.83909013 38.78495025 -0.27173534 -0.27685471 0.25903252 Cu 35.36619321 34.91450293 40.07756360 -0.24259180 -4.38362443 -3.49830699 Zr 35.53380745 36.76099877 41.31210078 2.74114487 0.56787941 -1.69133983 Zr 37.02719125 36.96998465 39.42486910 -3.72321738 2.03744114 3.23279181 Cu 38.57024044 38.88627495 41.25162372 -25.96526423 -14.99095611 4.48045418 Cu 37.08545427 34.64531849 41.96713781 0.34173601 0.70647595 -0.19324747 Zr 38.40501816 35.66065035 44.19656111 -0.59763527 0.80912706 -0.47379390 Zr 34.65953033 37.86439072 43.10822920 -3.26741144 4.20627068 6.21703070 Zr 36.81725558 39.01444116 44.19757799 -9.46384961 -13.96886956 21.29909003 Cu 40.17369928 34.54508350 39.34203475 14.42948563 -14.80452911 5.72390132 Cu 41.42789546 35.82217752 41.01696792 -52.87272977 -37.76750804 -14.82033242 Cu 42.09063663 37.14546297 40.72043897 23.59199585 52.56596930 -12.92427786 Cu 43.81054506 38.43023140 40.78914663 -0.10951458 1.10007056 0.48822985 Zr 42.59040093 35.27898005 42.12715892 25.32165794 -15.33330674 24.04972813 Cu 43.73533313 36.26083543 43.84387120 1.48186541 2.01859050 2.61131131 Zr 39.59244517 37.49312290 42.53316196 0.06423369 -9.97782955 -0.10371132 Zr 40.91915316 38.66112396 44.02388729 4.02917395 3.88826192 3.75005616 Cu 35.23482200 40.37484817 39.64658776 -4.01645698 -0.06792860 0.71056628 Cu 36.59099007 41.36202501 40.79556655 -25.53521637 -76.48790595 26.82619001 Zr 37.14160428 42.64387892 40.30013020 40.87442055 75.09378509 -20.35517771 Cu 39.43800331 43.64278705 41.54008037 -2.69754018 3.75762713 -4.72534768 Zr 37.44970714 39.83859636 42.56507203 -19.02187821 -2.95129589 -35.50016558 Cu 38.25117672 40.75916108 43.76829091 20.73488763 23.74404043 25.56032155 Zr 34.91907040 41.92767425 42.10149220 -10.44372577 -3.59687561 2.18230839 Cu 36.26501214 43.43725675 42.87729914 4.92729452 4.49260696 2.35390144 Zr 39.91364784 39.43638575 40.34274857 22.31505066 1.08970595 -29.63687858 Zr 40.86062386 40.86434150 41.47436012 11.88796278 2.43955566 -1.19094598 Cu 42.47610494 42.35231258 39.59868597 -35.16986029 3.94787917 14.20530327 Zr 43.92717211 43.24765270 41.70354777 -1.29203913 5.76554592 -4.20061906 Cu 43.01077180 39.97750057 42.91004624 -9.57288228 -15.39432461 0.09726610 Cu 43.90326557 41.44151109 42.85305030 8.66558554 8.95547946 3.29345124 Zr 40.40077307 42.29553962 42.95337261 -2.51409462 -1.71596416 10.49146693 Cu 41.08866589 44.03967151 43.94134032 2.87824921 6.78937845 3.40982502