32 Lattice="7.841237191840623 0.0 0.0 0.0 7.841237191840623 0.0 0.0 0.0 7.841237191840623" Properties=species:S:1:pos:R:3:forces:R:3 energy=-136.8966626876446 stress="-0.0048440847649326435 -0.0058040181198834515 -0.0024797906989650273 -0.0058040181198834515 -0.008962814718392264 0.010787256397063233 -0.0024797906989650273 0.010787256397063233 -0.002453683018740643" free_energy=-136.8966626876446 pbc="F F F" Zr 0.03067311 0.02131791 0.04182730 -0.26130650 -0.92930966 -0.31646408 Zr 1.95526067 1.98690781 0.02502434 0.43378795 -1.08168785 -2.01558056 Cu 1.94058428 0.04444164 1.96014050 -0.12670126 -0.14122129 0.16677933 Zr 0.00986005 1.92897381 1.95153384 -0.91421626 0.14815896 2.35417704 Cu 3.93600500 0.02494478 0.02551307 0.01730930 0.28094863 0.48527282 Zr 5.90906049 1.98094390 0.00980948 1.11645118 -1.50036184 -1.06984513 Cu 5.89097772 0.00479051 1.93678667 -0.39687166 0.33940825 -0.08760814 Zr 3.88323411 1.94516088 1.94944792 -0.82331949 -1.38381935 0.12970299 Zr 0.01661325 3.92029326 0.01321675 -1.18736278 0.95410773 -0.34250273 Zr 1.94353732 5.87532273 0.00581226 -0.01095815 0.85231116 0.44464457 Cu 1.97357554 3.92561155 1.93761803 -0.35322375 0.62163415 0.73462404 Cu 0.01216168 5.91216972 1.90150043 0.72014564 -0.72255362 0.24119766 Zr 3.94591706 3.91542265 0.01484550 -0.54921741 1.43775088 -1.78463855 Zr 5.91336021 5.86485543 0.02302372 0.03565612 0.67159540 -0.09152305 Zr 5.90403670 3.92944823 1.97609957 2.32423713 1.80767585 0.48983742 Cu 3.88203990 5.90635280 1.96587284 -0.00728542 -0.22133971 0.16367542 Cu 0.02456110 0.00669366 3.86794224 0.82512945 0.65312869 0.21395844 Cu 1.98375544 1.97307315 3.91749730 -0.64613099 0.11707136 0.46801550 Zr 1.96132214 0.02418620 5.87722871 -0.73722181 0.82950296 -0.22742214 Cu 0.02572368 1.96832391 5.88388551 0.99662047 0.04354223 -0.94038625 Zr 3.89532597 0.01337329 3.89109879 -0.49456429 -1.72695939 0.13415566 Zr 5.85295893 1.99093106 3.95853094 2.40840985 -0.57274681 1.05082248 Zr 5.88175174 0.05137990 5.91156877 -0.18389851 -0.01411761 0.43156766 Cu 3.89233667 1.95473108 5.83502518 -0.20269038 0.10946236 0.03278986 Cu 0.03423173 3.93851143 3.92797997 0.87394288 0.54288913 0.62178747 Cu 1.97296418 5.90941962 3.94786248 -0.55075821 -0.79135104 0.48360321 Cu 1.92629815 3.91672316 5.90985167 -0.62777721 0.49202011 -0.79818589 Zr 0.00729120 5.84578659 5.90876424 1.63850706 -1.62233801 -1.57872779 Zr 3.95323990 3.94874709 3.92809362 -1.89406658 2.06495078 1.86674597 Cu 5.88671313 5.89639756 3.93263807 -0.72414516 -0.59277393 0.16601486 Cu 5.84567645 3.90444378 5.90411245 -0.65540855 0.22133905 -0.51993539 Cu 3.94713572 5.90081127 5.88864711 -0.04307269 -0.88691758 -0.90655269