864 Lattice="22.23622773421061 0.0 0.0 0.0 22.23622773421061 0.0 0.0 0.0 22.23622773421061" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2236.0772431967894 stress="-15.224990872755136 2.4311512421370143 3.1777971504805347 2.4311512421370143 -15.02390690518439 0.7498653400339208 3.1777971504805347 0.7498653400339208 -13.447756927768715" pbc="F F F" Cu -0.01511211 -0.01003864 -0.03274118 -0.11431289 -0.15944543 -0.19046759 Cu 1.83580328 1.91035947 0.02611323 0.47108509 -0.19912637 -0.79032830 Cu 1.87246139 -0.03228882 1.83986675 0.07462935 -0.50046980 0.54333221 Cu -0.00312133 1.82676859 1.86648061 -0.65588479 0.55675592 0.39548364 Cu 3.66801252 -0.03363839 0.03647307 0.06667615 -0.45630110 -0.74314435 Cu 5.52654107 1.82490322 -0.03388869 0.28927477 0.56910488 -0.63106630 Cu 5.54671767 -0.02320075 1.85850568 0.48153651 -0.60172973 0.44412968 Cu 3.77788174 1.82419221 1.82338252 -0.45190588 1.04207838 0.80976103 Cu 7.44615963 0.01663947 -0.02424928 -0.27711476 -0.47732581 -0.49706257 Cu 9.24166452 1.88879507 0.02737104 0.22776936 0.20240288 -0.82346607 Cu 9.23063950 -0.01203957 1.82571885 0.23446983 -0.55986106 0.76119976 Cu 7.40122202 1.86117420 1.83840198 -0.21021765 0.50076112 0.89593289 Cu 11.14512599 -0.03004065 0.00306795 -0.25341853 -0.27119376 -0.50769010 Cu 12.95425447 1.88488349 0.03494289 0.10211910 0.29235718 -0.64570801 Cu 12.94151519 0.02161628 1.84544488 0.30588360 -0.53037589 0.61247951 Cu 11.08380708 1.83597432 1.86693904 0.20616610 0.78822078 0.62995922 Cu 14.83593959 -0.01623044 0.03130045 -0.16944909 -0.40048530 -0.66100640 Cu 16.70693740 1.86839388 0.03210357 -0.40601852 0.35428172 -1.10753890 Cu 16.66613854 0.00596830 1.83276646 0.39915178 -0.74681165 0.63078885 Cu 14.87297473 1.84773487 1.81618487 -0.53787378 0.69294846 0.96996908 Cu 18.53823243 0.02385820 -0.03656444 -0.44524257 -0.65825122 -0.37715894 Cu 20.35523597 1.82971844 -0.00592748 0.68986962 0.56431845 -0.56860929 Cu 20.38307574 0.03375131 1.86511460 0.35402787 -0.51151970 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0.28172247 -0.36641944 Cu 16.66755355 9.30605179 0.00608415 -0.07586756 -0.42395277 -0.37229072 Cu 16.68899045 7.38228805 1.87155226 -0.22475013 0.19609415 0.12271950 Cu 14.84047793 9.22353306 1.87003008 -0.15941445 0.19837626 0.43823790 Cu 18.53044146 7.39538300 0.00577610 -0.51809719 0.30213241 -0.57272219 Cu 20.37738146 9.28768981 -0.02252028 0.53856538 -0.19329762 -0.28093674 Cu 20.36860156 7.41244785 1.87569720 0.63878235 0.29184695 0.34754506 Cu 18.53023674 9.29900148 1.85254031 -0.59988902 -0.18890733 0.51207772 Cu 0.00080552 11.08700383 0.03675949 -0.49927239 0.18161697 -0.74210586 Cu 1.87021859 12.95586284 0.00543260 0.42741179 -0.20699423 -0.59334386 Cu 1.82512964 11.09880504 1.88046152 1.26345685 0.30671785 0.43011425 Cu -0.00364599 12.98092491 1.81962392 -0.54199189 0.01581130 0.87825402 Cu 3.73916170 11.13306150 -0.01035519 -0.12700542 -0.26149009 -0.22148018 Cu 5.52254279 12.96602837 -0.01349132 0.36064162 0.16116434 -0.26616891 Cu 5.59017035 11.14464188 1.88107045 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