108 Lattice="10.623491700346776 0.0 0.0 0.0 10.623491700346776 0.0 0.0 0.0 10.623491700346776" Properties=species:S:1:pos:R:3:forces:R:3 energy=-323.83584000456455 stress="-0.005980583053958531 0.00043056057120830583 -0.00026004957067572195 0.00043056057120830583 -0.006257115497525671 -0.00014931063198298034 -0.00026004957067572195 -0.00014931063198298034 -0.006236884049735352" free_energy=-323.83584000456455 pbc="F F F" Cu 0.02691701 0.01199679 0.03105146 0.44190873 0.43690845 0.43716036 Cu 1.80284927 1.75158914 0.01962678 -0.30795326 0.14091408 -0.34957260 Cu 1.80235849 0.01449818 1.77392932 -0.29190721 -0.43700850 0.00384073 Cu 0.02370540 1.75517194 1.80538986 -0.28108906 -0.01096740 -0.31375095 Cu 3.53357340 0.02367352 0.03313973 0.07250844 -0.08827152 -0.09582051 Cu 5.31718533 1.76264735 0.01015352 0.02680965 0.03012514 -0.38709284 Cu 5.27703069 0.01998877 1.78892700 0.36172386 -0.46636819 -0.09637706 Cu 3.55447000 1.74778463 1.75421482 -0.10908915 0.44609491 0.33065361 Cu 7.11050843 0.02162254 0.02145811 0.01610429 0.24971050 0.35200019 Cu 8.87109687 1.79702097 0.02315346 -0.23558057 -0.26598202 0.22046479 Cu 8.88606075 0.00005265 1.82435196 -0.41736001 0.42453744 -0.10536977 Cu 7.06464538 1.77711647 1.74764930 0.25267135 -0.17207498 0.25188157 Cu 0.01755671 3.54324558 0.02996268 0.09233146 -0.12116679 0.11511386 Cu 1.77897812 5.29881852 0.02762807 -0.14743643 0.15930421 -0.57721246 Cu 1.75504116 3.56565051 1.74697904 0.07743388 -0.57023065 0.24293494 Cu 0.02350124 5.30997528 1.80345505 -0.53821406 0.10213960 -0.11775146 Cu 3.55160948 3.55249832 0.03393554 -0.07780120 -0.21173963 -0.54190017 Cu 5.27916532 5.31047635 0.01478180 0.26083412 0.02583071 -0.35608554 Cu 5.29104602 3.56714463 1.78221424 0.13079475 -0.41788931 -0.11874020 Cu 3.50302147 5.27648526 1.79033229 0.30654915 0.49177556 -0.07417555 Cu 7.10517202 3.52780304 0.02190728 -0.12973506 0.13836431 -0.43486848 Cu 8.82116282 5.37537365 0.02170418 -0.11859066 -0.16730249 0.11263446 Cu 8.86844347 3.52169752 1.73523843 0.25098047 0.16859453 0.23839231 Cu 7.05677589 5.27806805 1.78372110 0.28613549 0.26040771 -0.29048123 Cu 0.02376199 7.09498725 0.02621020 0.24513646 0.02531078 0.24043554 Cu 1.79450055 8.88560368 0.03490848 -0.04553128 -0.39148024 0.29974105 Cu 1.74644888 7.05641336 1.76296869 0.17260177 0.37593825 -0.02050741 Cu 0.01790748 8.87600362 1.79251622 0.20887062 -0.27646565 -0.15054298 Cu 3.55459097 7.06581504 0.02591344 -0.16022091 0.15863500 -0.32356010 Cu 5.33797159 8.83610058 0.00016291 -0.06874740 -0.17406511 0.17953717 Cu 5.29212828 7.06108882 1.80186620 0.23991289 0.11799089 -0.29228007 Cu 3.56547738 8.83288613 1.75954084 -0.08137852 0.43272376 -0.06555113 Cu 7.06335607 7.08666084 0.01022961 0.10510050 0.11323938 -0.08011978 Cu 8.84633755 8.86826993 0.00309889 -0.57559342 -0.61943333 0.58674177 Cu 8.84172274 7.05486128 1.80007090 0.15659058 0.36135777 -0.15748619 Cu 7.06324795 8.88200197 1.77304498 0.19461531 0.05728375 -0.08454526 Cu 0.01613007 0.02741344 3.55083949 0.05944496 -0.15208819 -0.14979725 Cu 1.76609008 1.74555099 3.56866717 0.32837085 0.38930361 -0.32096803 Cu 1.79377402 0.00939494 5.28981566 -0.11673635 -0.53493010 0.21650625 Cu 0.02075754 1.72488037 5.28225738 -0.55224462 0.17893515 0.26992189 Cu 3.52872355 0.02064369 3.53604819 0.14258566 -0.43367082 0.11939216 Cu 5.33376228 1.74974083 3.56981360 -0.21916093 0.33610727 -0.25356228 Cu 5.33028630 0.01544036 5.31728643 -0.19669836 -0.64256607 0.10757594 Cu 3.56245174 1.76640388 5.34275262 -0.14884039 0.19726299 -0.17427978 Cu 7.09220940 0.02227709 3.56965003 0.08075527 -0.43839243 -0.33237193 Cu 8.84519832 1.78480470 3.55466290 0.18437247 0.05553980 -0.16648471 Cu 8.86826609 0.01980350 5.27791126 -0.16534864 0.20432034 0.20880066 Cu 7.05703497 1.74311953 5.32288581 0.49359490 0.41108738 0.04851608 Cu 0.02212257 3.51906860 3.52980495 -0.35387596 0.07921461 0.14835031 Cu 1.79526415 5.29974864 3.53386097 -0.20194369 0.13048459 0.27744739 Cu 1.75528349 3.50690973 5.34383368 0.23911574 0.32393656 -0.23742377 Cu 0.00242767 5.34393116 5.28430415 -0.27064436 -0.09088432 0.10285577 Cu 3.54736379 3.56990255 3.52291454 -0.19072639 -0.55976821 0.28717399 Cu 5.33152466 5.28527410 3.55212191 -0.28126154 0.32121512 0.03576458 Cu 5.28598932 3.56496497 5.31803752 0.09058860 -0.14245255 0.11517899 Cu 3.53740224 5.34078872 5.32517752 -0.17967556 -0.25499720 -0.12987321 Cu 7.05381342 3.57100232 3.53100243 0.30706478 -0.52275929 0.11471938 Cu 8.84589077 5.28894364 3.55177306 0.33611227 0.18915950 -0.12815174 Cu 8.86348226 3.56161461 5.28428222 0.19368530 -0.27079542 0.31507027 Cu 7.10715038 5.29657023 5.32998523 -0.15396149 0.26837589 0.07564150 Cu 0.02140242 7.12324736 3.55191956 -0.44060000 -0.19793263 -0.24666807 Cu 1.76448566 8.84608931 3.50659274 0.14313349 0.37978739 0.12874818 Cu 1.76195420 7.07717773 5.29408496 0.12597322 0.15513424 0.07866398 Cu 0.00448326 8.79562340 5.31453212 0.14596062 0.01248566 0.14380589 Cu 3.56810524 7.11708705 3.51354211 -0.33977881 -0.28701344 0.15400908 Cu 5.31699298 8.87781747 3.56567130 0.08932706 0.35015743 -0.19370876 Cu 5.29214297 7.06652762 5.28034876 0.18576274 0.00335218 0.27892891 Cu 3.55813950 8.85720687 5.30542883 -0.15324615 0.25924132 0.11551670 Cu 7.06143060 7.07172988 3.51209631 0.25226327 0.12233016 0.30413668 Cu 8.82051696 8.84452286 3.57057869 -0.21279718 -0.17093127 -0.10326157 Cu 8.88682126 7.11160909 5.33475228 0.08878584 -0.12525475 -0.20054396 Cu 7.05060363 8.84075109 5.33156343 0.20473260 0.33769610 -0.11000353 Cu 0.00115660 0.01048121 7.08122477 0.21138436 0.14808120 -0.06227190 Cu 1.74484242 1.73894411 7.07340279 0.09408965 0.11375973 0.21950918 Cu 1.74671846 0.01166535 8.83462601 0.08984971 0.28247933 -0.15332397 Cu 0.00024058 1.76233987 8.83959214 0.20803447 0.08660869 -0.26453752 Cu 3.50990916 0.02685308 7.09461535 0.20029628 -0.42255227 0.14639166 Cu 5.31965658 1.75541977 7.06743524 -0.19696170 0.19031579 0.23573956 Cu 5.35655102 0.04424066 8.84919148 -0.13669986 0.02776750 -0.15430294 Cu 3.57376925 1.80573756 8.85212140 -0.14618068 -0.18430666 0.23117063 Cu 7.10770707 0.01412380 7.09273920 0.19849579 -0.30023172 0.03892719 Cu 8.87455032 1.78956849 7.11394391 0.11854459 -0.12281087 -0.08211063 Cu 8.83643538 0.00119694 8.87888184 -0.53248150 0.55925479 -0.49317570 Cu 7.05056409 1.79955454 8.83522929 0.36781434 -0.19337480 0.40574713 Cu 0.03122397 3.55321129 7.05498061 -0.52176442 -0.11502521 0.12520078 Cu 1.73898529 5.34950204 7.11650448 0.11122527 -0.23760590 -0.23869960 Cu 1.76192683 3.52996975 8.82616281 -0.09004788 -0.07191306 0.43587456 Cu 0.01227724 5.28875862 8.85797581 0.08795464 0.04450203 -0.06581453 Cu 3.51050620 3.57589813 7.11134395 0.15212895 -0.26030217 -0.19074788 Cu 5.29460445 5.30705152 7.12501048 0.26249385 0.18556478 -0.32082269 Cu 5.34291672 3.57400956 8.87628238 -0.13060082 -0.22225488 0.31045885 Cu 3.56010365 5.28957346 8.87678843 -0.20798733 0.14978099 0.41826816 Cu 7.05533500 3.51246896 7.08298497 0.36129105 0.30076956 -0.05038201 Cu 8.86216547 5.33700495 7.08600356 0.11698132 -0.11503855 0.15197739 Cu 8.81908799 3.56333508 8.86826767 -0.20655454 -0.00751908 -0.22713059 Cu 7.06778114 5.33058698 8.87629063 0.30199244 0.04328484 0.08735719 Cu 0.01731099 7.08722099 7.13999474 -0.33510960 0.11721794 -0.11349234 Cu 1.79105833 8.84772323 7.07852989 -0.16705586 0.20879375 0.06855192 Cu 1.79255718 7.07190371 8.86643813 -0.07675647 0.24846864 0.38121402 Cu 0.02011696 8.86597009 8.84795199 0.52503216 -0.46194417 -0.44214856 Cu 3.50965518 7.04793828 7.07143423 0.28392004 0.38032386 0.28186852 Cu 5.31741828 8.82103423 7.10887395 -0.23293031 0.28782162 -0.08245347 Cu 5.32859345 7.06061173 8.88378399 -0.21157395 0.21100869 0.18738870 Cu 3.54545980 8.88456414 8.82244624 -0.00337334 -0.34949028 -0.15777057 Cu 7.07341215 7.11579666 7.05292875 0.09953903 -0.35091297 0.26952018 Cu 8.86016805 8.84214790 7.07386940 -0.30078231 -0.14358217 0.04886835 Cu 8.82237078 7.11294530 8.83574878 -0.23910323 -0.07915993 -0.23235049 Cu 7.05325372 8.83431838 8.84131467 0.11742110 -0.15521059 -0.18986514