32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-16.695449474713953 stress="-0.003595613797236768 0.00012643805576359577 -0.0003648234659430787 0.00012643805576359577 -0.0033815451691917684 -0.00018436777988049707 -0.0003648234659430787 -0.00018436777988049707 -0.0036368096616941985" free_energy=-16.695449474713953 pbc="F F F" Cu 20.88909689 21.11115480 21.11044915 -2.17503059 -5.74161757 -6.10700195 Cu 22.70960170 22.31143450 20.83833517 -4.70847781 6.18438696 -3.26817680 Cu 22.28829595 20.83509776 22.66640352 4.81188169 -2.73103036 -1.56274344 Cu 20.77812781 22.51878885 22.32834452 -2.84693059 4.68503659 3.96283717 Cu 23.87679405 20.95894820 20.92589040 3.11838982 -9.93557606 -0.72022606 Cu 25.52879565 22.11449487 20.86550211 3.83586336 3.45186125 -3.59365590 Cu 25.28802619 21.22277084 22.68584377 3.20809636 -21.64403538 -21.32446621 Cu 24.18362810 22.69581920 22.64685009 -12.23473444 -8.14764345 -2.34216897 Cu 21.26959405 24.17626233 20.85402479 -7.88216331 -5.35158126 -12.05294414 Cu 22.70996341 25.49207130 21.15300231 -3.49909768 13.62516207 -14.05737593 Cu 22.53848316 23.95774659 22.17411873 -3.74250121 -11.49524273 10.18684835 Cu 20.95789336 25.38825682 22.27041603 -5.84634869 8.49669089 3.08938545 Cu 24.19178619 24.17895518 21.29140871 -4.98041072 -10.05081754 -29.27842049 Cu 25.61455359 25.53253581 21.14904689 4.62512357 6.37030063 -3.84700550 Cu 25.28091226 24.10609294 22.46603997 26.04377151 -4.24010377 7.35360743 Cu 23.80598025 25.32157598 22.51361598 3.86085830 19.70101757 11.07310893 Cu 20.85198705 20.97567541 24.06329927 -12.55755725 -8.32588970 -4.55570178 Cu 22.13923915 22.27846858 24.29326255 8.06669281 13.34192003 -14.48415431 Cu 22.34126820 20.84140700 25.31668137 5.74611624 -13.65145938 9.50201611 Cu 20.91986395 22.24396547 25.59073906 -9.87105686 5.40216492 11.46647947 Cu 24.27219963 20.93381326 24.13132919 -11.40538048 -7.10409589 2.45013956 Cu 25.75978669 22.22592512 23.78504734 14.50109392 17.80846345 17.38185490 Cu 25.45656688 21.08378910 25.58343331 4.44219512 -0.82497930 6.64009614 Cu 23.65722062 22.50644989 25.46740128 4.37161235 2.16140593 5.47971509 Cu 21.23171545 24.18190327 23.80376929 -6.54502738 -5.00341670 -0.01203146 Cu 22.71219253 25.42485375 24.12990665 -4.05335725 12.44760752 -7.53446726 Cu 22.28220450 24.28278197 25.56210000 10.58485327 -24.06255332 8.52952781 Cu 21.13362859 25.32702941 25.57034430 -20.36016462 18.03418225 3.67806903 Cu 24.04852473 24.05473499 23.91561068 -6.31262531 -6.04892943 4.42501795 Cu 25.63661615 25.40480033 23.79721369 4.95196458 8.94085933 1.55422259 Cu 25.29869006 24.11041876 25.26735611 10.60289038 -6.21207548 7.79219794 Cu 23.83533445 25.24148635 25.58611608 6.24946092 9.91998792 10.17541631