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=282.9639632623107 stress="-0.0032399703140601212 0.0002064624783179052 -0.001329834858678042 0.0002064624783179052 -0.0031283374850178502 0.0009482830897224344 -0.001329834858678042 0.0009482830897224344 -0.002130923946750895" free_energy=282.9639632623107 pbc="F F F" Cu 35.22086729 34.98310996 34.77096654 -6.32251742 -5.81108080 -9.58094040 Cu 36.15142137 35.93572417 35.98055861 -11.31634032 -37.84852841 37.51068286 Cu 36.67756578 37.22516294 35.23402360 17.12799629 45.01666703 -27.71651869 Cu 38.60714772 38.38846909 36.18004449 -8.72833717 6.23112281 -5.48293936 Cu 37.66099888 35.43120791 38.14671993 -130.46834886 -55.55038518 -79.07133364 Cu 38.78275119 35.88656467 38.85899891 127.80407237 64.98268756 69.65824789 Cu 34.86273032 37.66171571 38.07174639 1.94125604 0.28555902 0.63352877 Cu 36.55604684 39.07636534 38.99475015 -88.38996637 206.26528993 -118.58431618 Cu 40.05873752 35.10223056 35.25284888 -0.09957540 0.04996081 -0.11548656 Cu 41.57116719 36.00454661 36.78983070 -8.09871113 4.08581872 -13.42863217 Cu 42.51432400 36.93324962 34.69615509 -0.56114379 0.04181014 1.13713253 Cu 43.42712388 38.91385061 36.22088890 6.14490748 -5.73738769 -9.67616273 Cu 42.73578848 35.79150318 38.24752218 -125.70509463 -35.38024080 -64.42181897 Cu 43.92497022 36.06567967 38.95948504 133.45107339 32.75762147 78.04064272 Cu 40.03690210 37.71350978 37.13730575 -3.01504288 -20.31340979 -17.06005504 Cu 40.80220443 38.42873123 38.46341174 12.37594874 15.21369317 23.08219894 Cu 34.82624793 39.49365118 35.42673195 -19.62577435 -21.22209268 -18.11150176 Cu 35.82447290 40.48365875 36.32972720 19.40284398 21.80047327 18.04673525 Cu 37.04272155 42.62085647 34.71585688 -0.40287732 -1.02250638 0.55743899 Cu 38.61643991 43.32327578 36.40123177 -112.55764856 68.88622756 -74.14440411 Cu 37.95366604 40.22421110 37.43318260 -6.64066516 -6.47951236 -6.46168479 Cu 39.18297782 41.03855533 38.54078463 6.93608389 4.86453096 7.45967398 Cu 35.23453568 43.29747839 37.16108406 0.80673476 -0.63631990 -0.00076540 Cu 36.27203080 43.30690388 39.45797705 -2.46414010 2.37729256 -2.47419132 Cu 40.03993614 39.85675485 34.70374204 0.18935315 -0.44242702 1.61262815 Cu 42.02950833 40.88216664 36.45299244 -202.17640248 401.83177290 -326.04453152 Cu 42.24505244 42.71497096 35.13385638 -0.47621496 2.27928526 -3.81509576 Cu 43.48230473 43.41110275 36.62701071 1.20645654 -0.14395170 2.77291522 Cu 42.42080033 40.09122498 37.07979447 194.16416012 -399.24226757 339.69108074 Cu 43.52852024 41.29193439 38.47251254 7.86334042 -9.18469181 -8.86745541 Cu 39.66448343 42.68403127 37.11226018 113.76862148 -68.72457935 74.83007032 Cu 40.97555741 43.73320924 39.13407115 -9.48032666 7.69895295 -1.88982793 Cu 34.65654452 35.45747797 39.97069233 0.94539863 0.77278019 -0.03478862 Cu 36.50657936 36.42435429 41.02401715 -4.43649656 1.90286193 -3.20260915 Cu 37.00297454 37.99791377 39.62151619 89.35131292 -202.09539727 114.86236218 Cu 38.77234072 38.68613018 41.43796857 -9.39820630 -13.27647639 8.90139107 Cu 36.83462511 35.19609263 42.46322326 1.37013254 -5.40024019 5.53866711 Cu 38.64096164 35.89741475 43.69480924 -7.84558721 -5.93804171 4.07582751 Cu 35.00811505 38.24481653 42.89302117 -29.55093720 -32.29091782 -25.43237573 Cu 36.10532765 39.23422129 43.54655608 -203.41606866 -37.74125808 68.43070737 Cu 39.53100435 35.07327613 40.32427134 3.11818357 -7.65191082 10.42467216 Cu 41.48837336 36.00831489 41.43404765 -48.05233768 78.23861797 -40.96654606 Cu 42.84911873 37.69155341 40.03246593 -6.07662770 -8.09487654 -11.24234762 Cu 43.44382035 38.66657240 41.45000670 6.10324616 6.52189856 11.02097351 Cu 42.20384740 34.85081933 42.03810700 48.10918040 -76.78393598 40.89412607 Cu 43.83127293 35.71206028 43.58587175 -1.15236951 -0.09186527 -1.14765053 Cu 40.07818382 36.91839384 43.08790297 8.83474111 6.33845739 -4.76020815 Cu 41.22478383 39.21689787 43.75234525 -5.32915122 -4.17472785 4.90306292 Cu 34.74337686 39.85362037 40.18467774 -13.23020686 -30.19531880 -6.04326633 Cu 35.46691157 41.32905582 40.50773197 15.64001370 26.80330386 3.07405513 Cu 37.64811637 42.01817168 40.27161489 1.04651227 -11.18505053 -1.23970284 Cu 38.34608634 43.71685713 40.67287335 3.90053618 7.68803327 2.52947913 Cu 37.36102597 39.64571095 43.35078790 193.34062988 47.18658660 -48.40272486 Cu 38.82896186 40.40644965 43.41364719 41.73780456 22.63046663 2.42788229 Cu 34.82758830 42.35295238 42.05413934 -1.51983564 2.11844546 4.30284101 Cu 36.70834461 43.95484767 43.58445220 -0.34359355 -0.61794309 -0.99523704 Cu 39.70549175 40.04527080 40.72110304 -7.84911993 1.09187041 -12.50858999 Cu 40.89974943 41.22892384 41.12165250 65.63219603 -66.29222963 -86.82531891 Cu 42.34497277 42.45681557 39.26778844 -0.47541387 0.45075699 8.91851091 Cu 43.64260964 43.84306647 41.60697114 -0.87551006 -0.94202116 0.26428388 Cu 42.26459378 40.20201412 42.51948547 3.19603548 6.22488245 -5.43375407 Cu 43.87725473 41.77735174 43.86983378 -1.25739372 0.17013854 -0.98615734 Cu 40.39757659 42.11536967 42.13716159 -49.14266065 78.43767247 91.30414294 Cu 41.49947850 43.65939049 43.93558996 0.97187180 -0.73394626 -0.73702259