108 Lattice="12.053496323827389 0.0 0.0 0.0 12.053496323827389 0.0 0.0 0.0 12.053496323827389" Properties=species:S:1:pos:R:3:forces:R:3 energy=-479.95353714811506 stress="2.1223188508097586 -0.5962424204233123 -5.427298139710139 -0.5962424204233123 -8.512064141159378 5.681873539594932 -5.427298139710139 5.681873539594932 -6.086658212909125" pbc="F F F" Cu -0.02708159 0.01015458 -0.02339293 1.05221199 1.10573921 1.14316012 Cu 1.97561303 2.02636945 0.00762633 -0.33101342 -0.30853577 0.79493257 Cu 1.99095004 0.00938268 2.02422270 -0.41646113 0.69410132 -0.41782026 Cu 0.01241103 2.01103386 1.97661312 0.75814645 -0.35118888 -0.36296156 Cu 4.01844263 0.00800146 -0.00759350 -0.03312939 0.78329758 0.81153878 Zr 6.03181407 2.01812336 -0.00370340 -0.30448320 -1.55851876 -1.58294690 Cu 5.99638195 0.01307559 2.04733197 0.23105549 0.43700525 -0.12993759 Zr 4.05768313 1.98300837 1.97679430 -0.43978820 -0.75319050 -0.60628166 Cu 8.05780739 0.01063756 -0.02318867 0.14874081 0.97345279 0.95050109 Cu 10.05870202 2.01131383 -0.03228642 -0.98140191 -0.11415729 0.93393022 Cu 10.02755998 -0.02124779 2.01321001 -1.05784218 1.06766272 -0.02725464 Zr 8.00432199 2.03887226 2.05966126 1.94962628 -2.92076355 -0.19760389 Cu 0.03799203 4.00339402 0.01548415 0.81322384 -0.02653177 0.77117570 Zr 2.00669135 6.01760733 -0.03155857 -0.64319850 0.58312347 -0.16541644 Zr 2.01640785 4.02867599 1.99049657 -1.46452267 0.07276555 -0.34770181 Cu -0.03554933 6.04574879 2.01232958 0.83668402 0.03097270 -0.12592907 Cu 4.07217376 3.95802997 -0.00354541 -0.20885952 0.22209741 0.25211019 Cu 6.05747620 6.03981492 0.01616474 0.01172914 0.09615419 0.42558585 Zr 6.06062770 4.02850294 2.00733093 -1.12679173 1.44125186 0.39707529 Zr 4.04794535 6.02377251 2.06287155 -0.21585552 0.71180220 0.07781411 Zr 8.07200421 3.99613838 0.03488770 1.51441408 1.18131649 -0.92741728 Cu 10.05097429 6.04740594 0.03952596 -0.83272290 0.00379676 0.87065698 Cu 10.05646580 4.03479900 2.01933832 -0.47772839 -0.00123350 -0.23942507 Cu 7.99342282 6.03137436 1.97467998 0.20805312 0.23118022 -0.19919729 Cu -0.03448688 8.06154005 -0.03259497 0.97736816 0.07881396 1.05807656 Cu 2.01037524 10.03900236 0.02849593 -0.13253483 -0.91139959 0.95010455 Cu 1.98759826 7.98420977 1.96542059 -0.16202359 0.22424789 -0.14906547 Zr 0.03721961 10.00560142 2.02417807 1.01110238 -0.55533569 -0.70273019 Cu 4.07302193 8.06277751 -0.03135532 -0.21366056 -0.01169140 0.53692846 Zr 6.01389931 10.01466352 0.02854096 0.51076371 0.04495916 -0.48896002 Zr 6.04635393 8.07117341 1.98116485 1.13228996 -1.25674284 -0.03091959 Zr 4.02558572 10.04662175 2.04573809 -1.81264772 0.09536601 -0.33826508 Cu 7.98259589 8.03883254 0.00145170 0.30116099 0.02458413 0.66967862 Cu 10.05542556 10.00476637 0.01909728 -0.82460290 -0.89379212 0.96255685 Zr 10.02401929 8.03381742 2.03765228 -0.57799856 0.37829825 -1.63833069 Cu 8.05969396 10.03132389 2.04854405 0.17233944 -0.53259510 -0.29542050 Zr -0.02551863 0.00287936 4.00673326 0.01053680 0.44509298 -0.57716065 Zr 2.03585483 2.05911016 4.04084972 -1.71075035 -0.16166138 -1.10920724 Zr 1.98177528 -0.03927251 6.00910593 -0.88152829 -1.43105279 0.95620641 Cu 0.03162033 2.00082186 6.01465276 0.17966832 -0.05355956 0.02595836 Zr 4.03175425 -0.02428706 4.01266566 0.40612258 -1.42573960 -1.27783893 Cu 6.08075596 2.03259745 4.01181162 -0.32395029 -0.20501787 0.12527550 Zr 5.99954382 -0.00434245 5.99949372 0.95335188 -0.90323716 0.70619790 Zr 4.03876517 1.98242879 6.06056301 1.87742829 0.50200884 -0.09695701 Cu 7.96787662 -0.00254833 3.97143664 0.20233220 0.61256818 -0.06470686 Cu 10.07065792 1.98456257 3.97352577 -0.51344256 -0.26651341 -0.05772424 Zr 10.07050018 0.02767128 6.04634183 -0.38580885 -0.09895072 -0.48120935 Zr 8.00927202 2.01789077 6.06801380 -0.80346297 -0.39894939 -0.09276298 Cu -0.03661442 4.06506904 3.99495528 0.57261796 -0.00063094 -0.15155203 Cu 2.05369512 6.09039656 3.95717677 -0.23137887 -0.09411585 -0.10387958 Zr 2.01139779 4.00405768 6.00646828 -1.64050183 0.23036496 -1.25681715 Zr -0.00819703 6.05532847 6.03004622 -1.66313464 -1.49260582 -0.73287958 Cu 4.01907068 4.01301503 4.05995518 0.41574299 0.08672293 -0.08065639 Cu 6.05116349 6.02141755 4.07924654 0.17557259 0.05585627 -0.03415991 Cu 6.02516604 4.01656924 6.00104507 0.17354274 0.01144076 -0.13035809 Zr 4.02662968 6.01770624 5.99181517 0.71813048 -0.38839197 -2.62002561 Zr 8.02975881 3.99939828 3.95807065 -0.15939261 0.90680164 0.77033782 Zr 9.99091449 6.04598990 3.98276160 0.36677992 -0.06182719 -0.61932482 Zr 10.03116134 4.02684763 6.03641810 0.87466232 -0.12533398 -0.14488545 Cu 8.06001732 6.06364070 5.97427757 -0.36217364 -0.27023491 -0.08653233 Zr 0.03107475 8.06907067 4.04295716 -0.33486028 -0.35857473 -1.78698089 Cu 2.01527492 10.07280043 3.97895898 0.01577494 -0.58415417 -0.06519538 Zr 1.99291248 8.05041647 6.06443826 1.56728772 1.45669838 -1.70213701 Zr -0.00207913 10.00806062 6.04747121 -0.21533909 1.58765605 -0.07674595 Cu 4.04013289 8.00338772 4.04328336 -0.28605160 0.19394071 -0.11861586 Zr 6.03419688 10.04047374 4.04516746 -0.17600758 1.02582465 -0.30211667 Zr 6.02257078 8.07215994 6.05050331 -0.04842400 -0.81551264 -2.22717277 Cu 4.03151284 10.00544204 6.05685548 -0.27529934 -0.19062527 -0.23663632 Cu 7.98053992 8.02393680 4.01323314 0.11452087 -0.21512667 -0.16131449 Zr 10.02479258 10.04698797 4.02354211 0.15210441 0.48135668 -0.75158949 Zr 10.05137912 8.02918401 6.03827456 1.20180173 -0.39804816 -0.86537777 Zr 8.04981056 10.04545089 6.01356734 0.28668189 1.75865938 -0.58534506 Cu -0.02558501 0.03045084 8.05634630 0.65912940 0.73533571 0.09655615 Zr 1.98745888 1.99004280 8.03005040 -1.40900147 -0.86336673 1.08187956 Cu 1.97747582 0.02396962 10.03517994 -0.08770326 0.69367647 -0.67540856 Zr 0.03643250 2.03039176 10.02794256 0.32093092 -0.11176543 -0.30161396 Cu 4.05301473 0.01642567 8.03288374 0.14210949 0.32559862 0.35100272 Cu 6.03194102 2.04785481 8.04230660 0.25547205 -0.14270066 0.43003004 Zr 6.01267855 -0.03261490 10.04533797 0.39190854 0.74692483 -1.01698077 Zr 4.02017619 1.98189164 10.05039761 0.35540950 -0.34203049 0.58918432 Cu 8.01158280 -0.02179694 8.04798514 0.05834208 0.61221428 0.37619322 Zr 10.04280169 1.99279505 8.06518712 0.10339406 -1.04264536 1.32563149 Cu 10.04930827 -0.02355505 10.00546304 -0.78765237 0.87344473 -0.89458720 Cu 7.98581099 2.02359665 10.04934272 -0.12134821 -0.17892669 -0.81251634 Cu 0.00589253 3.96001283 8.06955539 0.36828503 0.02907787 0.17324030 Zr 2.04165448 6.00410406 7.99602350 -0.64001901 -0.41611558 2.70053651 Cu 1.99195417 3.99418828 10.03512059 -0.17854059 0.09390662 -0.35749922 Zr 0.03030966 6.06384492 10.05363655 0.26753424 -0.44953702 0.19511245 Zr 4.01165006 4.04518130 8.01420884 1.56256975 -0.47955133 1.83290509 Zr 6.04297916 6.04978187 8.01073499 0.43070491 -1.81156138 0.84589717 Cu 6.05813500 3.98328424 10.06624238 0.05686278 -0.15438043 -0.63295631 Cu 4.01155356 6.00585037 10.07525994 0.02887892 0.01840930 -0.48022574 Cu 8.03228206 4.03418550 8.04304631 -0.30942219 -0.15059880 0.10861749 Zr 10.06760984 6.03072252 8.04602656 1.07258290 -0.86090478 -0.30061550 Zr 10.05225968 4.01447978 10.02005575 -0.11866024 -0.57324229 0.58668312 Zr 8.00171076 6.01952626 10.08433473 -0.85519501 -0.80217157 1.54073919 Zr 0.02696125 8.06832558 8.02897044 -1.23987785 0.79146370 1.74579819 Cu 2.04988451 9.99626595 8.05972997 -0.08236265 -0.20886320 0.42994487 Cu 2.01337346 8.04729677 10.03533396 -0.09131809 0.27610888 -0.42501639 Zr -0.02340190 10.00831890 10.00649251 0.89689039 -0.59013420 -0.54158816 Zr 4.03294383 8.07245682 8.03680404 -0.72547931 1.18089415 2.31020905 Zr 6.05868414 10.07262180 7.99883335 -0.68314909 1.61846818 1.69057865 Cu 6.01865520 7.99251785 10.00838963 -0.14200505 0.27226074 -0.21292446 Cu 4.03776982 10.00862696 10.03264772 -0.06830913 -0.71469674 -0.71962245 Zr 8.03426259 7.97263927 8.02568099 -0.33383155 0.66378601 0.80285116 Zr 10.05333654 10.07076256 8.01671556 0.61461516 1.11549656 0.68344773 Zr 10.01366582 8.05612986 10.02069366 0.75384670 0.64469482 1.33971803 Cu 8.06550937 10.01215234 10.00565053 -0.09038862 -0.50000937 -0.48355255