32 Lattice="6.973831495446348 0.0 0.0 0.0 6.973831495446348 0.0 0.0 0.0 6.973831495446348" Properties=species:S:1:pos:R:3:forces:R:3 energy=-85.66706589905652 stress="-0.010008550503293235 -0.0008061948333639514 -0.0014390999032404732 -0.0008061948333639514 -0.00957585923929288 -0.000941840721652781 -0.0014390999032404732 -0.000941840721652781 -0.010107565137722421" free_energy=-85.66706589905652 pbc="F F F" Cu 0.03290345 0.03425275 0.02451997 0.13295582 0.01944028 0.04278927 Cu 1.72769019 1.76675405 0.02645145 0.17355333 -0.09072181 -0.56302896 Cu 1.73985829 0.02492367 1.76451396 0.13185646 -0.47272242 0.01588052 Cu 0.01756636 1.71611377 1.71935112 -0.53664004 0.23991105 0.34416037 Cu 3.45835120 0.00714119 0.03261762 -0.15259641 0.01735472 -0.07334629 Cu 5.22658442 1.75230782 0.02358426 0.06675007 0.11134220 -0.13158831 Cu 5.20325449 0.01734961 1.73669167 0.13102889 -0.09055069 0.17436165 Cu 3.50660299 1.77321805 1.74051138 -0.13167527 -0.17824861 0.13661562 Cu 0.02836670 3.51342548 0.02694137 -0.23006617 -0.23499891 -0.17989842 Cu 1.73601869 5.22534900 0.02293981 0.28238300 0.09135867 -0.08560902 Cu 1.71261965 3.46972168 1.72706627 0.17758077 0.11660238 0.31267617 Cu 0.01971922 5.24302263 1.72950291 -0.10573679 0.08236925 0.25529575 Cu 3.46570435 3.45739968 0.03050455 0.11053429 0.24793063 -0.51328832 Cu 5.25129585 5.25531688 0.00324113 -0.35012592 -0.36507283 0.33884371 Cu 5.22713594 3.47799641 1.75317659 0.45341595 0.03540683 -0.00076281 Cu 3.48595781 5.22429220 1.75332333 -0.07793640 0.33555401 -0.15121761 Cu 0.01727543 0.02396723 3.51384517 -0.15141355 -0.08884659 -0.22535510 Cu 1.75991920 1.71121520 3.50775461 -0.10185357 0.29451131 -0.16460347 Cu 1.71443282 0.03236560 5.23993145 0.34567561 -0.07973111 0.08315103 Cu 0.01044569 1.76776393 5.23131277 -0.12637325 0.14984273 0.07067795 Cu 3.49711965 0.00691530 3.46382288 -0.18099754 -0.40832427 0.07416325 Cu 5.23073283 1.71845584 3.50565471 0.34227327 0.25104252 -0.23188029 Cu 5.20370677 0.03468190 5.18312770 -0.13790137 0.09050815 -0.01259136 Cu 3.47163867 1.79003024 5.22757173 0.01712235 -0.20211424 0.41069385 Cu 0.01138788 3.50057007 3.49254097 -0.38934111 -0.12874067 -0.11875240 Cu 1.74438121 5.21583298 3.46177540 0.02726116 0.42188422 0.06728547 Cu 1.74199211 3.45674017 5.22217029 -0.02316492 0.15417835 0.39047492 Cu 0.03207280 5.24196469 5.25024196 0.28831415 -0.26889505 -0.25217320 Cu 3.49890063 3.51668237 3.49683407 -0.13285111 -0.20216545 -0.10898396 Cu 5.19633598 5.22147246 3.45496328 0.14170492 0.13901937 0.01231184 Cu 5.22168478 3.46003274 5.21106554 0.10555760 -0.02159264 0.06135158 Cu 3.45218540 5.20532452 5.24041816 -0.09929423 0.03446861 0.02234657