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=-90.89157521447768 stress="-0.0012639127354268408 -0.000287114511813366 -0.00020766037684023396 -0.000287114511813366 -0.001347048796491218 -0.00018806483215596652 -0.00020766037684023396 -0.00018806483215596652 -0.0012034566823432553" pbc="F F F" Zr 34.95090640 35.18546883 34.58901709 0.94251893 1.29576054 2.20853161 Cu 37.01564031 36.71667680 36.72661173 -5.86525072 20.98346334 -9.20695033 Zr 38.26124696 38.06296286 34.84600273 -0.62043129 -1.09970190 -5.76648028 Cu 38.35696437 38.31930234 36.94156366 -6.96969514 4.75381683 3.18555062 Cu 37.45381834 35.24170572 37.18717708 6.77920467 -23.69437182 7.10741123 Cu 38.95313122 35.85690137 39.04138070 -11.90098872 13.65248208 -4.22714203 Zr 35.02521663 36.84805138 37.58281451 -3.24485683 -0.25706894 0.34722249 Cu 36.64786233 39.08129035 38.30415239 -9.25269503 -13.88234922 8.13773597 Zr 40.43399638 34.56341300 35.12876493 -12.19542250 -26.79153404 -14.06730158 Cu 41.06129485 35.95452046 35.86250509 9.58650853 25.66194797 15.10284535 Cu 42.74377634 36.76780625 34.91415662 1.89361262 -0.77767468 -1.93560735 Zr 43.08181096 38.85370023 35.91940571 1.14307189 -0.71235367 -6.44180086 Cu 42.79924689 35.76960620 37.55231241 -4.35264125 -2.31985696 -9.38088530 Cu 43.50973021 36.21842060 39.16650189 8.47948578 -2.43269199 4.47328710 Zr 40.23165455 37.85640122 37.37501571 -11.66201303 -28.60222581 -20.41959664 Zr 41.07230587 38.88196207 38.28286236 10.22031874 22.36361209 25.20484899 Cu 34.88154727 39.94346493 35.76588759 -0.72800631 -1.44811804 -0.20787968 Zr 36.28776017 41.57181618 36.58108167 20.28871238 -20.03838653 -40.89034230 Zr 37.74629401 42.60393505 35.19206094 1.20255939 0.36494209 -6.54449442 Zr 38.84153669 44.13885400 36.71066204 -5.44177022 20.92775134 -7.63293044 Cu 37.40698199 40.38894163 37.56698366 6.42957992 -5.72371215 -12.20637819 Cu 38.25996911 41.45774368 38.52841774 1.45487047 3.22557733 18.91420187 Cu 35.43037883 42.30517807 37.61806500 -38.01054582 16.92170398 25.23317420 Zr 36.20509114 43.30310611 38.98591902 -7.26207429 19.84504565 -7.06120144 Zr 39.76528944 40.53747504 34.57401960 -4.85560301 -1.86529634 -8.89515393 Cu 40.78047054 40.87809763 36.23763196 -0.94269985 -2.05426864 12.44594154 Cu 42.34009723 41.59854107 35.46209557 6.41338867 2.48390308 -3.40966098 Cu 43.43270701 43.28756462 36.37274156 0.14359252 0.19834389 0.76466565 Cu 42.85535711 39.53756613 37.85007173 10.09521982 6.49787918 4.50892223 Cu 43.93260870 41.70718749 38.69452641 24.03593597 -0.77258180 -15.60908306 Zr 39.41775983 42.58828479 37.53197082 10.37389179 -13.81172294 -3.65855503 Zr 40.60397577 43.52446398 39.01105933 4.40655960 5.26774384 7.08095713 Zr 35.02369781 34.88154757 40.13654161 -2.26128077 -3.57546835 -3.01714709 Zr 36.09081631 36.44803867 41.38461053 -1.44353172 8.73148199 -5.09575504 Cu 37.36259843 37.31486544 39.66375227 0.59870617 1.12155421 -1.86623637 Zr 38.57024044 38.88627495 41.44827020 2.98234712 -14.92734850 -7.15250720 Cu 37.12834402 35.17214561 42.45551892 6.29926292 -7.27770840 6.28919315 Cu 38.96777296 35.88527562 44.13487414 -0.67332958 -1.13577510 1.38192854 Zr 34.63264827 37.23275376 42.96044858 -3.70607155 1.31009235 3.27145540 Cu 36.17936842 38.83584485 44.05603740 -1.63875679 -1.33871229 2.87695895 Zr 40.17369928 34.54508350 39.41946642 10.92504620 -16.10925846 1.00569213 Zr 41.42789546 35.82217752 41.01696792 -26.79815181 3.24504886 -15.29011238 Zr 42.47353837 37.47214569 40.40189209 -13.35452466 3.40947277 -5.10613965 Zr 43.86575364 38.59558632 40.96496089 18.17810888 9.06936876 1.38500911 Zr 42.59040093 35.27898005 42.12715892 17.50574720 -12.43492796 16.82360647 Cu 43.97557477 35.56890820 43.61806605 5.00162157 1.24731291 5.38342161 Cu 39.59451639 37.12914542 42.56004402 1.37476917 -0.69327646 -0.84599363 Zr 41.25070623 38.46108612 44.02388729 -2.10663034 -1.78571038 1.99329469 Cu 35.13951595 40.31403083 39.71094272 -1.60072112 -0.75535352 -1.42188266 Cu 36.59099007 41.36202501 40.79556655 -12.45538969 -34.20254171 13.60365265 Cu 37.14160428 42.64387892 40.30013020 29.15315353 24.80338603 6.33768016 Cu 38.56204476 43.81500333 41.77912115 0.38207925 0.20782728 -0.47084096 Zr 37.44970714 39.83859636 42.56507203 -24.28373080 -3.53668627 -10.12961716 Cu 38.25117672 40.75916108 43.76829091 12.75297341 14.30075634 20.87189854 Cu 34.91907040 42.24186207 42.15404608 -20.08870462 -12.73670942 -10.26644009 Zr 36.26501214 43.12102251 42.86824855 19.66394975 12.83500712 10.94635684 Cu 39.91364784 39.76015463 40.34274857 -1.51065039 -5.37345558 -18.22420040 Zr 40.86062386 40.86434150 41.47436012 5.46716389 12.93959972 11.57521696 Zr 42.47610494 41.76581640 39.62583195 -21.74478971 0.23656018 14.06264328 Zr 43.96348273 43.48226391 41.67565626 -0.18865038 2.59456702 -1.11952758 Zr 42.70992059 39.71294649 42.58609108 -5.40573897 -8.01915705 2.00322351 Zr 43.76261164 41.40596012 42.91753274 6.65573254 9.14601367 4.03221908 Cu 39.45917651 42.53827790 43.49399435 1.94963832 1.52984649 0.03276797 Zr 41.83214104 43.72494553 44.02220045 -0.21398464 -0.98586405 -1.02367091