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=29.171948173743317 stress="-0.0011998215520151521 -0.00012953569044680518 -0.00040694130251488187 -0.00012953569044680518 -0.0010835333078199573 5.89906844312734e-06 -0.00040694130251488187 5.89906844312734e-06 -0.0009852383889505012" free_energy=29.171948173743317 pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -1.58571361 -0.92120618 -1.46884049 Cu 36.59933616 35.93572417 35.98055861 -8.68275998 -23.55025104 16.40605313 Cu 37.14715992 37.22516294 35.23402360 -1.08617792 9.22026820 -28.54205462 Cu 37.93229823 38.31172061 36.19084223 9.04114614 15.04680863 11.46102051 Cu 36.90181109 35.14771729 38.20399864 0.62890147 0.51872890 0.14593373 Cu 39.35802973 36.07349581 38.45018589 -0.16682096 -0.42919727 -0.84360782 Cu 34.76884260 38.20444678 38.02575960 -0.43860439 -0.53539938 -1.04861168 Cu 36.55604684 39.07636534 38.99475015 -24.89033359 76.79518407 -53.27686026 Cu 40.23975440 35.55577733 35.25284888 -1.76734521 0.19257628 -1.72258995 Cu 41.57116719 36.00454661 36.78983070 -3.75086661 2.33358259 -4.32525393 Cu 42.51432400 36.93324962 34.69615509 -0.64382594 0.30695325 0.95535423 Cu 43.42712388 38.91385061 36.22088890 3.71414734 -6.65621475 -6.21475782 Cu 42.73578848 35.79150318 38.24752218 -55.66793140 -26.38364992 -20.28125645 Cu 43.94092265 36.28827392 38.75986480 64.71514214 23.11651448 19.69397482 Cu 39.59592731 38.07886991 37.48008817 -12.20751620 -2.92443622 -17.60444809 Cu 40.62053955 38.32819731 38.74879789 16.06270740 3.05477152 17.80078678 Cu 34.82624793 39.49365118 35.42673195 -12.24228680 -13.05741512 -11.03668331 Cu 35.82447290 40.48365875 36.32972720 13.31433700 12.84464979 12.05389811 Cu 37.04272155 42.62085647 34.71585688 -0.04339776 -0.49240713 0.98440059 Cu 38.61643991 43.32327578 36.40123177 -47.81197048 28.71348888 -32.26212219 Cu 37.95366604 39.88968876 37.71888199 -5.04790729 -2.13154409 -7.09579377 Cu 39.18297782 40.79320854 38.72626791 7.86605886 8.55266378 2.94154569 Cu 35.02039589 43.08349217 37.63905551 -3.86699951 -2.86978340 -6.53628287 Cu 36.05879578 43.59193131 39.11824152 2.03066672 5.06109074 5.11823512 Cu 40.84552544 39.82520067 35.06533237 -0.97594044 -2.57393579 -1.50597248 Cu 41.60365422 41.12475624 36.46651109 -10.79386066 16.03378366 -8.58591473 Cu 41.78042048 43.31103882 34.75724372 0.05375220 -0.78971108 1.62818373 Cu 43.52629705 43.46239944 36.79309461 -1.43217946 -1.20651735 0.11944241 Cu 42.58087455 40.09122498 37.35935114 4.26688456 -9.12318922 14.38994718 Cu 43.73510397 41.07781524 38.65337001 2.71654491 2.27819456 2.70083963 Cu 39.66448343 42.68403127 37.11226018 47.13371282 -29.59951237 31.08110494 Cu 40.97555741 43.06281160 38.89352680 -17.99868323 5.89366185 -10.10269735 Cu 35.08650936 34.99270265 39.79859771 -51.27766168 -44.40092918 -32.29398040 Cu 36.02951638 35.81350238 40.39348859 51.75308516 45.02291331 32.98357708 Cu 37.00297454 37.99791377 39.62151619 34.69858566 -82.29171738 47.27841776 Cu 38.75210362 38.44613179 41.76132422 -1.85335562 -4.67852609 6.58454002 Cu 37.31797163 35.38405289 42.79856259 0.17853851 0.71747620 -0.99327442 Cu 39.40149214 36.08701121 43.76610800 -14.61349649 -13.12733000 12.84384562 Cu 35.21739672 38.13697317 42.60739620 -19.35163300 -15.52061091 -19.37342941 Cu 36.22422232 38.91950201 43.54655608 5.41281344 2.00426387 27.16408522 Cu 39.28893760 35.22757881 40.50692713 -0.40692722 0.22347907 1.75994941 Cu 41.48837336 36.00831489 41.43404765 -24.22200049 33.00225094 -18.99864722 Cu 42.84911873 36.81500577 40.22971067 -2.72330587 2.13101800 2.83413622 Cu 43.71562119 38.49425818 41.03735392 3.26217932 -1.54269952 -1.54683724 Cu 42.20384740 34.85081933 42.03810700 22.90756822 -36.15438770 19.60905548 Cu 43.65919048 36.11178622 43.88925171 -1.09568783 0.02740039 -1.23497721 Cu 40.41452828 37.00336033 42.84575081 12.81362789 14.90996103 -10.85278090 Cu 40.85429854 39.16374031 43.74908259 0.87916174 0.10526575 -0.83824029 Cu 35.28526443 39.62769123 40.10727546 -10.01373622 4.45296546 9.06807954 Cu 36.29964123 41.79720326 40.73723777 -30.97483858 -13.87664302 26.63014068 Cu 37.40122931 42.21827495 39.80335328 31.58848988 5.98747374 -29.93796646 Cu 38.63834321 43.28337470 40.87827378 3.67137952 3.04030202 3.41093807 Cu 37.36102597 39.94186987 42.87644269 14.06391112 13.95203423 -9.48529933 Cu 39.21822805 40.70787358 44.06940741 0.05589962 0.75525981 -0.42750097 Cu 35.11551939 42.75138677 42.23322464 -1.80480078 0.11180514 0.83509976 Cu 36.70708239 44.04511937 42.95555895 1.34148416 0.13169925 -0.40029401 Cu 39.22042981 39.39391917 40.19266730 1.11034020 1.69743903 -2.85406327 Cu 40.89974943 41.22892384 41.12165250 20.41661093 -36.83961304 -41.84963492 Cu 42.34497277 42.60168189 39.71375535 18.49000564 -5.86150691 11.37072976 Cu 43.67611777 43.71118706 41.38918701 -0.93626393 -0.73637309 0.00351769 Cu 42.99424106 40.00955443 42.05340744 -3.02921675 4.04752918 1.75684315 Cu 43.45186979 40.93751722 43.97630385 -0.48296250 0.50299530 0.57216691 Cu 40.39757659 42.11536967 42.13716159 -21.37769879 33.74376220 40.29708087 Cu 40.99623589 43.72152709 43.29927288 1.07702462 1.74449206 1.05775006