108 Lattice="10.60362837656853 0.0 0.0 0.0 10.60362837656853 0.0 0.0 0.0 10.60362837656853" Properties=species:S:1:pos:R:3:forces:R:3 energy=-322.3949025769924 stress="-0.006846739120807819 -0.0005221993390531766 -0.0005213710264194523 -0.0005221993390531766 -0.006929557854872038 0.0008655318328058436 -0.0005213710264194523 0.0008655318328058436 -0.0067000851238444075" free_energy=-322.3949025769924 pbc="F F F" Cu 0.01448718 0.01737613 0.01541612 0.37868389 0.36445581 0.40512528 Cu 1.75344969 1.76570707 0.03497396 -0.21726996 0.07740106 -0.46655388 Cu 1.78490933 0.00197188 1.75033319 -0.14897633 -0.28234667 0.30368794 Cu 0.00574369 1.73677949 1.80106907 -0.20652737 0.25106139 -0.20256557 Cu 3.48983023 0.03483761 0.04331713 0.10864672 -0.12995790 -0.19878802 Cu 5.27041622 1.74240217 0.01097118 0.36456026 0.21619090 -0.20394842 Cu 5.28724881 0.01307583 1.75352339 0.07674977 -0.23139971 0.12969500 Cu 3.49957197 1.78733772 1.75394744 0.30604079 -0.22577277 0.42259840 Cu 7.10300382 0.00048274 0.01146345 -0.25198883 0.27554397 0.20134042 Cu 8.85925153 1.74506553 0.00081978 -0.28657273 0.27024279 0.17977561 Cu 8.83552093 0.01818187 1.73408142 -0.02505636 0.03301799 0.16301368 Cu 7.09342131 1.78176287 1.79695592 -0.27215070 0.01185746 -0.64777631 Cu 0.01316103 3.54853176 0.03015180 0.07818058 -0.14010418 0.17144654 Cu 1.78248852 5.27698047 0.02418139 -0.02657421 0.26214433 -0.36213406 Cu 1.78313641 3.51453059 1.78590688 -0.38814896 0.06716472 -0.06769104 Cu 0.02762313 5.33347480 1.75924106 -0.40201077 -0.14469978 0.03701790 Cu 3.50860725 3.51783278 0.02816480 0.18192312 0.02053775 -0.62464065 Cu 5.29652761 5.32901327 0.00913029 0.15495877 -0.18363085 -0.26454879 Cu 5.27316677 3.54212450 1.78019143 0.32039750 -0.11918801 -0.14954137 Cu 3.51209174 5.27253064 1.75089830 0.13756414 0.37115264 0.22209074 Cu 7.08083603 3.56789031 0.01177314 -0.25477499 -0.34965882 -0.34165954 Cu 8.86202450 5.27885922 0.00816936 -0.15773237 0.27300676 0.10290664 Cu 8.80288011 3.55305828 1.73820916 0.67181869 -0.29583567 0.14566128 Cu 7.09097209 5.26665411 1.79563584 -0.16955802 0.41210627 -0.34747863 Cu 0.02456966 7.03522203 0.01112509 0.18422583 0.07001890 0.06995003 Cu 1.79922448 8.80158803 0.01726427 -0.01348290 -0.11934703 0.06174003 Cu 1.75758079 7.10354872 1.79845880 0.13333669 -0.21715578 -0.23003789 Cu 0.02176109 8.82142838 1.75259653 0.15119287 -0.17787368 0.19600176 Cu 3.56788287 7.06530829 0.01697464 -0.15851279 0.08943366 -0.18399705 Cu 5.34063843 8.85946963 0.01945131 -0.17003031 -0.23184626 0.14334648 Cu 5.32845937 7.05038501 1.78382287 -0.11863543 0.15383193 -0.13872670 Cu 3.51593189 8.81915790 1.79271692 0.30201313 0.32458213 -0.12448008 Cu 7.09043657 7.08032552 0.00144018 0.06012065 -0.19164151 -0.16088430 Cu 8.83090673 8.84713009 0.02574622 -0.41311556 -0.43906999 0.45137157 Cu 8.84246703 7.06618828 1.78235646 0.11221349 0.10061498 -0.12957639 Cu 7.05645116 8.80948404 1.75101395 0.22768912 0.26581460 0.31596907 Cu 0.03195555 0.02107557 3.49946374 0.13263186 -0.02284777 0.17771998 Cu 1.78863213 1.79539853 3.56107586 -0.27641750 -0.31203804 -0.13361445 Cu 1.76652992 0.02073721 5.31905502 0.00561410 -0.46172332 -0.21551137 Cu 0.01089278 1.74318895 5.32664407 -0.40368913 0.23613989 -0.29921499 Cu 3.52803815 0.01526000 3.56781534 0.04884096 -0.24355658 -0.23012228 Cu 5.32487774 1.79040142 3.51251334 -0.21171787 -0.07202538 0.07022409 Cu 5.32725197 0.03514743 5.29891168 -0.06367585 -0.38821584 0.06344297 Cu 3.54389053 1.79357929 5.29509927 0.01982090 -0.13245101 0.30220138 Cu 7.09059632 0.02841484 3.49482420 -0.15707359 -0.47201559 0.16665402 Cu 8.82075836 1.74949410 3.51002191 0.53619936 0.21172810 0.19740538 Cu 8.85095935 0.02336349 5.28006913 -0.24355269 0.10488199 0.09324968 Cu 7.03722627 1.76892224 5.31729414 0.43872364 0.00024306 -0.08870309 Cu 0.01729653 3.55715603 3.52125062 -0.44689716 -0.13962328 0.09569571 Cu 1.75120853 5.30280859 3.50451326 0.20681167 0.10099604 0.23716664 Cu 1.76327072 3.56733495 5.29074271 0.04044043 -0.16077700 0.29610054 Cu 0.02673623 5.32680457 5.33663987 -0.52750778 -0.14957447 -0.16038979 Cu 3.51446910 3.53819460 3.56679923 0.25164162 0.07664659 -0.30310185 Cu 5.32554206 5.30361775 3.52123793 -0.17194310 -0.17866866 0.12995880 Cu 5.27347730 3.55122029 5.33356931 0.27716744 -0.14964903 -0.25630814 Cu 3.55282974 5.29890085 5.29066938 -0.32321257 0.20569269 0.10412350 Cu 7.12583646 3.52696972 3.55821018 -0.37720896 0.03474619 0.04001019 Cu 8.84443320 5.31396793 3.50979698 0.39531382 -0.02807429 0.28825314 Cu 8.85099296 3.54726353 5.33094440 0.29524240 -0.18851838 -0.06691989 Cu 7.05900071 5.26559496 5.33033741 0.15110733 0.11517597 -0.08072211 Cu 0.02306665 7.03991228 3.56500341 -0.37610539 0.33685540 -0.15632988 Cu 1.79659447 8.87105914 3.55974526 -0.24088983 0.09854067 -0.02360885 Cu 1.73750558 7.06059915 5.33429767 0.43861321 0.09508474 -0.39008710 Cu 0.02725228 8.81527139 5.32060333 -0.06667666 0.09335318 -0.16930181 Cu 3.52980063 7.05583618 3.52631128 -0.01170239 0.09414552 0.21547179 Cu 5.30366162 8.82226742 3.56132406 -0.05889264 0.24964058 -0.05401089 Cu 5.30303293 7.05652773 5.32825345 -0.07873234 0.20113485 -0.19617201 Cu 3.48911678 8.85605365 5.34789516 0.25455841 0.18547609 -0.18745480 Cu 7.06016468 7.03676023 3.56575537 0.29550432 0.44029014 -0.07614351 Cu 8.87032779 8.86552957 3.51457564 -0.44409256 -0.39428697 0.06893869 Cu 8.80291118 7.05476787 5.33525680 0.38352012 0.20501280 -0.25826487 Cu 7.05431860 8.86372046 5.32315870 0.28312853 0.12315788 -0.16569269 Cu 0.04915475 0.03963594 7.10104335 -0.17858022 -0.24362665 -0.10211290 Cu 1.73687253 1.73720449 7.04588906 0.51484312 0.56464739 0.13353457 Cu 1.75694049 0.01840602 8.85838672 0.17668940 0.04262144 -0.12948555 Cu 0.05159789 1.78827785 8.81014440 -0.11600142 0.12122397 0.02369404 Cu 3.51841989 0.02794999 7.05182771 0.14641363 -0.37631161 0.02236948 Cu 5.32793221 1.78418743 7.10079849 -0.32483941 -0.27170063 -0.14706354 Cu 5.30587403 0.01839512 8.82916379 -0.03362356 -0.00223180 -0.10013216 Cu 3.51430472 1.73036249 8.80864382 0.06333277 0.24222200 0.36729193 Cu 7.08490818 0.00870440 7.09089060 0.05659450 -0.31582817 -0.16808802 Cu 8.85966607 1.74704238 7.05970601 0.10638592 0.15406888 0.09978444 Cu 8.85416252 0.00816584 8.81556396 -0.38595399 0.38602055 -0.37329614 Cu 7.07651157 1.73715294 8.82371937 0.25666989 0.15724673 0.37953222 Cu 0.03395108 3.55838095 7.03932560 -0.34433438 -0.12307951 0.21425558 Cu 1.77579229 5.32620320 7.08758867 0.11158455 -0.17069043 0.13305576 Cu 1.77351823 3.50762540 8.84309524 0.02587765 0.16302074 0.15419869 Cu 0.01375942 5.32982760 8.81257587 0.11398838 -0.05311725 -0.09452096 Cu 3.55368976 3.54131602 7.10072043 -0.33532046 -0.17244177 -0.10566785 Cu 5.27793244 5.33428338 7.07421173 0.22283945 -0.09353476 0.33181730 Cu 5.33064278 3.52631987 8.85356235 -0.08271300 -0.03005349 0.34493778 Cu 3.54627988 5.27658820 8.84610525 -0.17267887 0.28237373 0.33190401 Cu 7.04482079 3.50530028 7.06839612 0.40801163 0.30413056 0.22846566 Cu 8.86474547 5.30322892 7.07438732 0.09288495 -0.09543570 0.09793348 Cu 8.82508201 3.56226667 8.84320266 -0.16212432 -0.22427015 -0.23518493 Cu 7.07659721 5.29302320 8.86913654 -0.13862856 0.18897904 -0.02029284 Cu 0.00697458 7.09057537 7.04858045 -0.41199929 0.01660154 0.40570705 Cu 1.73480770 8.85284880 7.06716084 0.08466728 0.33055129 0.27426009 Cu 1.74157571 7.11184104 8.84241290 0.10795828 -0.11188652 0.20674727 Cu 0.00461856 8.86112649 8.83699020 0.37101837 -0.44578319 -0.46389472 Cu 3.48868976 7.09021788 7.05488247 0.20790730 -0.10621945 0.23773835 Cu 5.32960738 8.81489344 7.05710358 -0.13708567 0.30480976 0.10174811 Cu 5.26664918 7.09293552 8.84563287 0.33441067 -0.26839230 0.13881109 Cu 3.56265597 8.80239573 8.82643768 -0.23368768 0.13048348 -0.14121118 Cu 7.08658709 7.05082246 7.05134951 -0.09763237 0.06217360 0.43922083 Cu 8.82490475 8.84057201 7.10225025 -0.17486939 -0.23579396 -0.16447154 Cu 8.84417926 7.04105192 8.83181621 -0.23136556 0.01363304 -0.18818664 Cu 7.07261379 8.82301972 8.82535485 -0.08472913 -0.26995856 -0.14605052