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=336.27359873172867 stress="-0.0035385408291639994 -0.001204071358832224 0.00013542795566630475 -0.001204071358832224 -0.0029034979496151926 -0.00022843409038958347 0.00013542795566630475 -0.00022843409038958347 -0.002721615589850335" pbc="F F F" Zr 35.26751244 35.52136160 34.90267880 -6.37429082 -5.93120360 -5.05548512 Cu 36.56860671 36.79881500 36.11552624 -34.73164871 -11.16381401 61.67109978 Zr 37.47786702 37.17713189 34.87988405 41.61979082 17.02461183 -54.93483423 Cu 38.67326588 39.23108471 35.84829128 -39.85825979 -21.06384663 30.06039159 Cu 37.94775631 35.46667680 38.47629604 -2.70706002 -1.69016247 0.29315351 Cu 39.26767136 36.85149348 38.25905976 1.71067220 1.57235428 1.91572251 Cu 34.63460489 36.94246322 37.98642235 0.66584903 0.35887907 -0.37735080 Zr 36.52170234 38.99170572 38.43717708 7.98905029 -59.52099887 -14.90872482 Zr 40.67145454 34.82286705 35.06386983 -12.20866992 -49.90334188 -55.95856369 Zr 40.88810399 35.86992394 36.18891549 -5.45006286 64.26596889 46.83276404 Cu 42.71943583 37.78190402 34.89109536 -23.78653002 -13.46896677 -21.31536640 Zr 44.01521962 38.50928013 36.10689238 22.50732482 12.51205894 22.64900462 Zr 42.31129485 34.70452046 36.87596291 11.22755463 -17.00936956 4.71286411 Zr 43.92507945 35.70608291 38.12923654 5.55581832 5.22005327 5.28957317 Cu 39.63585597 38.01785041 36.70659703 10.01346065 -11.07600871 7.53471822 Cu 41.24705666 39.05460308 38.44785551 -9.53079810 -9.10153312 8.06256920 Cu 35.06192044 40.39662190 35.77095879 -14.97233937 -9.91992484 -9.24205878 Cu 36.37304353 41.22647666 36.57256985 -0.25945830 26.46866413 -16.46066941 Zr 37.72351372 42.62132051 35.02139215 0.08698999 -0.75618324 -0.24211419 Cu 38.76396116 43.67048672 36.92490272 -0.28697293 0.74714458 1.19515376 Cu 37.12850526 40.45235729 37.83108167 28.74443930 28.48287179 2.50494326 Cu 38.59508615 41.36457661 38.45353115 7.45043339 5.47178868 2.98799490 Cu 34.65432958 43.38604249 37.80404030 -35.50062103 -19.20860315 -36.58000197 Zr 35.77836379 43.98058762 38.94444190 36.97302785 17.68337258 36.81277265 Zr 39.50996911 40.20774368 34.77841774 28.84569654 33.89608317 -38.41517866 Cu 41.22111906 41.05517807 36.36806500 19.62515024 -60.89105080 18.12772820 Zr 42.12719423 42.05310611 35.23591902 26.08128908 28.16489990 -32.44824169 Zr 44.11558361 43.70145358 35.91318271 -0.27584005 -0.34650795 0.54778805 Cu 42.43972545 39.96350481 37.48763196 11.72674512 7.29527994 -9.07372734 Cu 43.45955613 40.76194530 39.25689249 109.82112570 -114.01931387 -36.52931459 Cu 39.99733316 41.93891378 36.75422848 -45.46618827 32.80170866 14.83381456 Cu 41.60535711 43.28756613 39.44671536 -13.69309249 45.82623181 -9.77703750 Zr 35.18260870 35.45718749 39.94452641 -118.52868877 -72.77754878 -115.50980467 Zr 36.04637803 35.98287224 40.78610325 87.37255491 30.88407652 122.23698506 Cu 37.01232978 37.27446398 40.13360109 24.41341171 34.61553039 -22.27699325 Zr 38.72713023 38.43415617 40.93401673 -27.31422330 -34.23559874 33.59956462 Zr 37.03058845 35.42749086 42.77579419 -60.69182404 -35.04057810 -25.89726308 Cu 38.27719125 36.02006853 43.41375227 65.09234798 30.84742608 34.19218825 Zr 35.21378731 37.38949396 42.46715196 -80.81867565 -79.13286829 -72.76554716 Zr 35.99364821 38.23299875 43.23628897 78.46839686 85.06127035 76.32376162 Zr 39.94220575 34.74051603 40.23045664 -3.37103984 -3.45664325 -4.63912770 Zr 40.88264827 36.28283765 41.71044858 37.19371242 -45.16372805 -41.31322047 Cu 42.66825160 37.46786518 40.18954364 -58.36443944 -37.93914063 -21.08803099 Zr 43.92369928 38.29508350 40.63802264 57.32099399 38.05342309 20.42567758 Zr 42.20648919 34.65051784 42.10770973 9.27868807 -9.86768843 2.80360471 Cu 43.43406297 36.24902775 43.93669629 -0.95302734 0.48946012 -0.99786914 Zr 40.11575364 37.34558632 42.47299524 -44.24654880 49.65991631 42.36325282 Zr 41.34040093 39.02898005 43.37715892 -220.88645392 -164.61529488 194.92470340 Cu 35.39478270 39.40741273 39.78972573 -28.00888541 9.96570174 34.70229554 Cu 35.67709187 41.48716770 41.22795339 -34.51228307 -3.78564398 24.42551218 Cu 37.00379824 41.62945690 40.30758220 35.36082326 3.44231971 -24.20443635 Zr 38.08106240 43.98797582 41.48028400 -0.97894064 -1.68491098 0.15719876 Cu 37.67966066 40.18652708 42.39338501 -17.70040192 -27.20722289 -38.95629109 Cu 38.23193537 41.05567318 43.59847444 13.01629301 25.40287485 39.84611996 Cu 35.04673006 43.38599608 42.71057427 -19.03694069 -9.41548992 -19.30063337 Cu 36.19970714 43.94598967 43.81507203 20.05325946 9.30160502 18.19389405 Zr 39.50117672 39.50916108 40.01829091 27.69817838 40.26131672 -34.40127026 Zr 40.88951963 41.54012745 40.40514708 -28.20076703 -14.50742454 18.67686978 Zr 42.59451824 41.66698103 39.55209715 -66.98411708 83.98397267 27.81137369 Cu 43.61109397 43.62733905 41.16795056 -0.79647330 -0.89573128 0.16115576 Zr 42.11062386 39.61434150 42.72436012 215.72826661 159.93521663 -196.48170296 Zr 43.43603096 41.10231258 43.34868597 10.12331935 12.85672720 3.99886256 Zr 40.17717211 41.99765270 42.95354777 4.51901295 2.98500160 -1.15282779 Cu 41.76077180 43.72750057 44.13641392 0.21188603 -0.74146831 -0.57138901