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=-22.05773122733966 stress="-0.0008427188926932176 -0.0001437304679129404 -0.0003699822048130825 -0.0001437304679129404 -0.0009581251405664642 -0.00011110116716812307 -0.0003699822048130825 -0.00011110116716812307 -0.0006677346013908196" pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -0.91499527 -0.52777912 -0.94375629 Cu 36.59933616 35.93572417 35.98055861 -6.40806846 -16.92324903 11.22804806 Cu 37.14715992 37.22516294 35.23402360 -0.99795485 6.22761199 -20.47241679 Cu 37.93229823 38.31172061 36.19084223 7.68714397 10.46985647 8.64464719 Cu 36.90181109 35.14771729 38.20399864 0.32480599 0.25898775 0.23712206 Cu 39.35802973 36.07349581 38.45018589 -0.40001849 -14.10894352 4.81081707 Cu 34.76884260 38.20444678 38.02575960 -0.24428825 0.09687604 -0.07301672 Cu 36.55604684 39.07636534 38.99475015 -15.70850482 43.71041885 -28.69326324 Cu 40.23975440 35.55577733 35.25284888 -0.34942670 0.22340149 -0.88334951 Cu 41.57116719 36.00454661 36.78983070 0.15692557 1.46353992 -0.06961956 Cu 42.51432400 36.93324962 34.69615509 -0.64931100 -0.12662615 1.03227051 Cu 43.42712388 38.91385061 36.22088890 2.74771717 -4.82559805 -4.71546222 Cu 42.73578848 35.29825864 38.47892573 -5.11561096 -6.29797988 -1.18773272 Cu 43.94092265 36.56606735 38.98245906 19.90744319 -4.37262741 -9.13727821 Cu 39.39630707 37.63789511 37.84544830 -6.17455738 11.92839672 -8.60997241 Cu 40.96332197 38.14653243 38.64826398 6.56101930 2.32406189 3.25673831 Cu 34.72941635 39.65017747 35.17843495 -1.38672716 -2.77054682 -0.98132302 Cu 35.67994952 41.20201413 35.91957267 -3.23153585 -2.35454663 4.90757545 Cu 36.83832478 42.32454839 35.07964709 4.72112876 4.69302350 -3.40394897 Cu 38.61643991 43.32327578 36.40123177 -29.98283500 18.47804802 -20.44185381 Cu 37.95366604 39.88968876 37.71888199 -9.69631527 -6.13675367 -7.27520769 Cu 39.18297782 40.79320854 38.39174556 12.18950299 7.77966028 6.72187988 Cu 35.30302897 42.85953330 37.63905551 -3.62996072 -2.17780971 -5.99847015 Cu 36.24427906 43.37779151 39.11824152 2.18332504 4.56218994 4.36163050 Cu 40.63153922 40.45221119 35.16239131 -5.37713486 -3.55441275 -7.42203319 Cu 41.60365422 41.12475624 36.46651109 -2.69838882 14.27222238 -0.56083645 Cu 41.65903605 43.33357737 34.74691298 0.45465616 -1.05297316 1.55351171 Cu 43.62645804 43.01529842 36.36792425 -1.48183122 -0.81990908 -0.31646536 Cu 42.58087455 40.09122498 37.35935114 3.53488142 -6.57901299 10.34502142 Cu 43.73510397 41.07781524 38.65337001 1.73405297 1.99432424 1.54478843 Cu 39.66448343 42.68403127 37.11226018 29.78707295 -18.32898783 18.92357044 Cu 40.97555741 43.06281160 38.89352680 -15.06290994 3.22947439 -8.08918994 Cu 35.08650936 34.99270265 39.79859771 -31.60761422 -27.61844291 -19.84781517 Cu 36.02951638 35.81350238 40.39348859 31.24969647 27.63504564 19.62339177 Cu 37.00297454 37.99791377 39.62151619 19.43362651 -47.11467931 26.67631112 Cu 38.75210362 38.51894432 41.27444638 -3.09606736 -4.63751641 1.61100729 Cu 37.49149260 35.21043487 41.96708928 1.22994793 0.04381875 0.57650972 Cu 39.08450338 35.75571598 43.99891515 -1.59401361 -1.43396545 0.66703919 Cu 35.42842396 38.28677606 42.84798177 -51.64176781 -40.96636757 -45.43981852 Cu 36.22422232 38.91950201 43.54655608 40.91894563 31.31612186 51.53698314 Cu 39.71309499 35.22221430 40.57758748 -1.64647169 -0.69930783 0.26170973 Cu 41.48837336 36.00831489 41.43404765 -12.31705760 24.51613246 -13.04959000 Cu 42.84911873 37.34925718 39.84520972 -17.52228069 5.29152353 6.36991205 Cu 43.60556472 38.49425818 41.03735392 3.37244939 4.89030204 5.24896642 Cu 42.20384740 34.85081933 42.03810700 14.80412076 -24.57925941 12.55860898 Cu 43.28116307 36.06295912 43.56460464 -0.42378611 0.21207160 -0.22694580 Cu 40.24150778 37.00409575 42.88390785 -0.01463620 1.19005323 -0.56677095 Cu 40.95198476 39.00576363 43.68573388 0.98617585 -0.96272480 0.09558656 Cu 35.14758552 39.78870018 40.00686066 -4.94276117 2.06944081 3.36673879 Cu 35.80085817 42.04657078 40.80638853 2.20192998 -4.65524165 -4.04430750 Cu 37.82350393 42.21827495 39.80335328 -2.82045664 -9.45893400 -7.50121067 Cu 38.63834321 43.28337470 40.87827378 5.74346716 7.65729812 7.69134214 Cu 37.36102597 39.94186987 42.87644269 11.17316392 9.83875197 -6.49554354 Cu 39.69225143 40.63183112 43.95736664 -1.10930325 1.33686611 -0.41311937 Cu 35.04200871 42.98730845 42.19801729 -8.78010929 0.11720171 0.34809931 Cu 36.22062300 43.77377768 43.28993392 5.76447002 3.63068485 4.95652417 Cu 39.81899047 40.03247668 40.85421832 -9.13380956 -8.88846141 -4.20696479 Cu 40.89974943 41.22892384 41.12165250 21.02247728 -6.32989886 -27.43300044 Cu 42.34497277 42.74950186 39.71375535 15.66709015 -3.22557840 9.79686510 Cu 43.87888527 43.98077226 41.93506244 -1.53201037 -0.67131544 0.64251285 Cu 42.09981898 40.13593674 42.08633078 4.83468417 -2.97207762 3.62053627 Cu 43.64788745 41.17049910 43.79739875 -0.98245883 0.17010371 -0.90712566 Cu 40.39757659 42.11536967 42.13716159 -12.81065426 24.28877922 27.36636189 Cu 41.71733303 43.85702197 43.48743696 1.09371301 -0.74476261 -1.17521886