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=163.54705742968653 stress="-0.0016459749345963835 -0.0002199137245784805 -0.0001713992639442177 -0.0002199137245784805 -0.0020553439375547147 0.0009072366942333538 -0.0001713992639442177 0.0009072366942333538 -0.0019820410659093153" free_energy=163.54705742968653 pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -0.06474317 0.15269994 -0.18311273 Cu 36.59933616 35.93572417 35.98055861 -16.86219400 -40.32806086 24.14784388 Cu 37.14715992 37.22516294 35.23402360 -0.67370108 16.26088981 -45.24361490 Cu 37.93229823 38.31172061 36.19084223 16.57105797 24.34599475 20.81602308 Cu 36.90181109 35.14771729 38.20399864 2.85129301 0.94088029 -0.90908227 Cu 39.35802973 36.07349581 38.45018589 0.15600174 -0.18348655 -0.63761783 Cu 34.76884260 38.20444678 38.02575960 0.24577061 -0.04179318 -0.66281419 Cu 36.55604684 39.07636534 38.99475015 -39.63948114 121.46431985 -83.43358445 Cu 40.23975440 35.55577733 35.25284888 -0.40071537 0.46847821 -0.22617530 Cu 41.57116719 36.00454661 36.78983070 -3.35779901 1.47789631 -3.30277826 Cu 42.51432400 36.93324962 34.69615509 -0.39260049 0.00640234 0.59000734 Cu 43.42712388 38.91385061 36.22088890 3.55676147 -5.42524862 -5.16287723 Cu 42.73578848 35.79150318 38.24752218 -96.06538108 -41.66762475 -38.26267772 Cu 43.94092265 36.28827392 38.75986480 101.21378355 40.03643327 39.00550042 Cu 39.59592731 38.07886991 37.48008817 -21.92793141 -5.05806033 -27.93471017 Cu 40.62053955 38.32819731 38.74879789 23.44565037 5.28383477 27.83322128 Cu 34.82624793 39.49365118 35.42673195 -19.02669056 -19.74693460 -17.09395769 Cu 35.82447290 40.48365875 36.32972720 19.92925955 19.00063214 17.88730468 Cu 37.04272155 42.62085647 34.71585688 0.04189893 -0.55184212 0.74389407 Cu 38.61643991 43.32327578 36.40123177 -78.90304729 47.72613853 -53.53453167 Cu 37.95366604 39.88968876 37.71888199 -24.04661610 -16.84143494 -13.27598013 Cu 39.18297782 40.79320854 38.39174556 25.19681034 17.99894126 13.21550900 Cu 35.64061762 42.55244599 37.88440231 0.29441484 -0.99580384 -0.78890018 Cu 36.05879578 43.59193131 39.57757453 -1.66951601 3.22837195 0.86615329 Cu 39.90822097 40.66544620 35.04279382 -0.66255161 0.45415955 0.68894101 Cu 41.60365422 41.12475624 36.46651109 -17.68544297 18.04520652 -14.39185588 Cu 41.79075122 42.52488602 35.10418375 -0.20117532 1.25546376 -0.70851943 Cu 43.73012471 43.44819704 36.47528543 -0.71934841 -1.06751977 0.39584443 Cu 42.58087455 40.09122498 37.35935114 -6.44709429 -31.83827280 9.79789829 Cu 43.72136125 41.12169026 38.05491549 19.74934612 18.59465164 11.67400729 Cu 39.66448343 42.68403127 37.11226018 79.10958461 -48.61739127 52.50699893 Cu 40.97555741 43.26853098 38.89352680 -18.38942750 8.29028146 -10.32704757 Cu 35.31592320 34.88324137 39.25927082 -2.60435074 -0.61605971 1.03456430 Cu 35.74041727 36.29365956 40.76984940 0.57600024 0.26694755 0.30318107 Cu 37.00297454 37.99791377 39.62151619 52.78550996 -127.05705828 72.75724099 Cu 38.96556843 38.75948867 40.94765044 -125.25813214 -312.79408086 372.45213617 Cu 37.49158966 35.40175536 42.68368650 -0.07646483 0.35923801 -0.87685956 Cu 39.41579862 35.93707120 43.80559037 -11.16173552 -12.46348625 10.89701672 Cu 35.16374498 38.06049698 42.27388437 -3.16184360 -2.56571659 -4.72260541 Cu 36.22422232 38.91950201 43.54655608 -18.60118924 -17.17699252 17.51170325 Cu 39.16526829 35.22757881 40.50692713 -0.22295659 0.25652113 1.31679723 Cu 41.48837336 36.00831489 41.43404765 -38.84636930 60.83321638 -32.14987004 Cu 42.84911873 36.81500577 40.22971067 -1.98249735 1.34101399 2.56380425 Cu 43.71562119 38.49425818 41.04890985 1.05975882 -1.23957647 -0.69344957 Cu 42.20384740 34.85081933 42.03810700 38.19888443 -60.98701900 32.67516634 Cu 43.92266376 36.21309164 43.88925171 -0.82284781 -0.12239220 -0.90122322 Cu 40.41452828 37.00336033 42.84575081 11.02314210 12.66413206 -11.17976171 Cu 40.85429854 39.16374031 43.74908259 0.29833520 0.94003081 -0.63466211 Cu 35.28526443 39.62769123 40.10727546 -12.53844395 5.34431200 11.27914467 Cu 36.29964123 41.79720326 40.73723777 -53.82277545 -21.69780330 46.44076335 Cu 37.40122931 42.21827495 39.80335328 55.02650337 16.79625738 -47.86102453 Cu 38.61671803 43.28337470 40.87827378 1.32324522 1.25693798 1.53514564 Cu 37.36102597 39.94186987 42.87644269 22.18582730 19.92569571 -14.06791022 Cu 39.15415133 41.10762709 44.06940741 0.48250491 0.03206811 -0.43223328 Cu 35.11551939 42.75138677 42.23322464 -0.33027649 0.07517627 -0.20775128 Cu 36.70708239 44.04511937 42.95555895 0.61122621 -0.20946183 -0.71445707 Cu 39.22042981 39.39391917 40.19266730 124.81841730 312.93166739 -371.78574936 Cu 40.89974943 41.22892384 41.12165250 33.96712338 -60.87378030 -69.68175381 Cu 42.34497277 42.60168189 39.71375535 18.44958673 -9.20827732 10.83620720 Cu 43.67611777 43.71118706 41.38918701 -0.64081656 -0.30550172 0.16359009 Cu 42.99424106 40.00955443 42.05340744 -1.55731026 1.62236930 0.84185035 Cu 43.45186979 40.93751722 43.97630385 -0.46330712 0.04846459 0.10281234 Cu 40.39757659 42.11536967 42.13716159 -34.19737654 59.97908090 69.18467659 Cu 40.99623589 43.72152709 43.29927288 0.25645202 -0.02412594 -0.07579878