108 Lattice="11.246530715602354 0.0 0.0 0.0 11.246530715602354 0.0 0.0 0.0 11.246530715602354" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.43124410319425 stress="-0.005576967006641612 3.199968648822176e-05 0.0007043825432778295 3.199968648822176e-05 -0.00496098372799252 -0.0002683282825264734 0.0007043825432778295 -0.0002683282825264734 -0.004675886272996181" free_energy=-225.43124410319425 pbc="F F F" Cu 0.01245153 0.01236566 0.02023869 -0.34853713 -0.32984303 -0.33673858 Cu 1.84828203 1.86034361 0.03028816 0.68089442 0.54949001 -0.78394728 Cu 1.85269829 0.00970560 1.86682525 0.67419780 -0.72115204 0.64773212 Cu 0.03068378 1.84664074 1.88309843 -0.81364558 0.70326105 0.56648881 Cu 3.72808981 0.03432889 0.03078594 -0.01612569 -0.44845744 -0.44622639 Cu 5.57182292 1.88466253 0.02220714 0.10813812 0.66092971 -0.39042760 Cu 5.57400526 0.01632581 1.87781271 0.26749427 -0.31308005 0.57644550 Cu 3.71495867 1.87850463 1.90264510 0.30783278 0.67847049 0.38288901 Cu 7.46122859 0.01815434 0.02986929 -0.33945891 -0.45954469 -0.47720519 Cu 9.34465703 1.89253689 0.01591078 0.57856092 0.25034741 -0.51368081 Cu 9.37351631 0.02117071 1.86886971 0.52959658 -0.42610625 0.29741947 Cu 7.50912879 1.85901552 1.84802459 -0.94247805 0.90909867 0.97375085 Cu 0.02039930 3.74400147 0.00871905 -0.44559788 0.05797476 -0.37156655 Cu 1.87387344 5.63876045 0.01533317 0.51294323 -0.02165255 -0.41751323 Cu 1.85910545 3.72452525 1.83839449 0.71492750 0.43275637 1.08581576 Cu 0.02901648 5.61308086 1.88752534 -0.54184089 -0.05835245 0.40835978 Cu 3.71246869 3.77776951 0.02070680 0.23848913 -0.11295112 -0.41102927 Cu 5.64257175 5.65262663 0.00429094 -0.13362461 -0.31193162 -0.38917657 Cu 5.60515648 3.76057093 1.87904402 0.29568088 -0.25064725 0.42221848 Cu 3.77884665 5.58703564 1.89064252 -0.46207090 0.30071216 0.57615037 Cu 7.52738908 3.74150657 0.00781865 -0.84793265 0.07014012 -0.37780108 Cu 9.34167136 5.62620036 0.02334719 0.45087899 -0.03407307 -0.38629216 Cu 9.38289808 3.75056585 1.89787854 0.37353583 -0.19240164 0.34626668 Cu 7.49567055 5.60848576 1.86320835 -0.76475911 -0.06393494 0.81972237 Cu 0.00914247 7.49503027 0.00001911 -0.46436191 -0.36468282 -0.30931224 Cu 1.86500545 9.35065292 0.01265457 0.39235245 0.38639794 -0.49428897 Cu 1.84657167 7.47289081 1.89692010 0.92568150 -0.47963160 0.45466682 Cu 0.02563068 9.40462593 1.86187643 -0.37813915 0.36523999 0.40534450 Cu 3.74806365 7.50171083 0.03521122 0.05662946 -0.58225310 -0.39555010 Cu 5.65575520 9.35548796 0.00375150 -0.28530197 0.32245743 -0.31732802 Cu 5.63724392 7.46758798 1.88215884 -0.17452895 -0.32222525 0.90000810 Cu 3.71502531 9.35409772 1.86304527 0.31181849 0.39642306 0.69977333 Cu 7.49958258 7.51355917 0.02745387 -0.37920212 -0.44904020 -0.65444948 Cu 9.36739210 9.40779302 0.03588101 0.15923677 0.24989145 -0.25419136 Cu 9.34552472 7.52791978 1.84574893 0.52642284 -0.49127481 0.79345804 Cu 7.46221607 9.39868262 1.87429967 -0.28133831 0.39106803 0.70056236 Cu 0.02579768 0.00075446 3.75148411 -0.28193073 -0.30443158 0.15094896 Cu 1.89114558 1.89899771 3.72611730 0.30106213 0.39817819 0.23384181 Cu 1.87368385 0.02339434 5.65678983 0.53986543 -0.52342694 -0.50696763 Cu 0.01524904 1.87987045 5.62398055 -0.37763762 0.54893085 -0.17108671 Cu 3.77182071 0.00378225 3.72183080 -0.28389234 -0.35152897 0.28189597 Cu 5.61631315 1.90183804 3.79019897 0.26878600 0.30938005 -0.35181926 Cu 5.58667794 0.03116212 5.64110853 0.29807589 -0.30368361 -0.34074753 Cu 3.71611484 1.89700587 5.55754716 0.48977093 0.55365861 0.44541454 Cu 7.53047790 0.01663064 3.71724659 -0.88010739 -0.39362518 0.31188318 Cu 9.35565448 1.86906724 3.78014654 0.50913048 0.52759156 -0.16083563 Cu 9.34701508 0.02604595 5.67592872 0.44857068 -0.45499221 -0.18815252 Cu 7.52858434 1.88894322 5.63700217 -1.01816866 0.55948506 -0.16789859 Cu 0.00162571 3.76756378 3.74686612 -0.20473908 -0.25219516 -0.00966154 Cu 1.86248750 5.62769847 3.78428443 1.11284931 -0.38596623 -0.24779924 Cu 1.90964517 3.71866796 5.62992797 0.25535972 0.37783731 -0.15350855 Cu 0.02100038 5.62521144 5.55899267 -0.30867303 -0.05866064 0.41552672 Cu 3.77079744 3.72134268 3.71381302 -0.37379474 0.50029749 0.32641576 Cu 5.57232986 5.59342785 3.74252539 0.35910510 0.23038195 0.20075114 Cu 5.63864443 3.77430714 5.58584288 -0.26555275 -0.13972212 0.48981814 Cu 3.73774682 5.62672609 5.65546667 0.17489217 -0.16650100 -0.48621092 Cu 7.48524006 3.73959562 3.75588062 -0.58768375 0.12001233 -0.07285148 Cu 9.34698864 5.57967057 3.69598179 0.36765649 0.31192296 0.38822960 Cu 9.40316394 3.74919989 5.60902458 0.16529843 0.19165159 0.06487112 Cu 7.50517302 5.62897561 5.65162873 -0.42588018 -0.21967582 -0.23909754 Cu 0.03193933 7.52605181 3.71544094 -0.64755929 -0.49379843 0.24514511 Cu 1.86784739 9.36878387 3.78812568 0.53949761 0.61371693 -0.28685035 Cu 1.90316692 7.53146522 5.60036362 0.32861952 -0.92328352 0.02352698 Cu 0.02309543 9.36384557 5.64115668 -0.45594306 0.35204155 -0.05657313 Cu 3.71540433 7.50109648 3.75119465 0.41864864 -0.63754652 -0.01263182 Cu 5.64424975 9.36953381 3.77769882 -0.40475197 0.13107488 -0.20385246 Cu 5.63322683 7.46139030 5.59049070 -0.27432843 -0.35328945 0.16093634 Cu 3.72712219 9.40689658 5.64035228 0.31765465 0.22549244 -0.28280970 Cu 7.51717232 7.46449426 3.77506712 -0.70998815 -0.52789970 -0.25490160 Cu 9.35638457 9.38731172 3.77497413 0.24252261 0.23921657 -0.12344560 Cu 9.38397858 7.49985365 5.62735602 0.35157682 -0.70558519 -0.06331958 Cu 7.46932292 9.37537368 5.60630361 -0.35199082 0.28492783 0.24366700 Cu 0.00042853 0.01928640 7.48891999 -0.41806287 -0.29554466 -0.14294189 Cu 1.91166146 1.84527149 7.48257293 0.32249970 0.98932647 -0.43895226 Cu 1.89328617 0.02723879 9.36171178 0.15254968 -0.53566909 0.37611866 Cu 0.02899321 1.93528230 9.38776872 -0.47807567 -0.11575844 0.36284601 Cu 3.75281112 0.03292575 7.46232448 0.05621828 -0.53258470 -0.33479984 Cu 5.65156077 1.83854625 7.51939539 -0.46763737 1.28299112 -0.93078034 Cu 5.59336423 0.03239633 9.35142636 0.10103708 -0.49056663 0.46112026 Cu 3.72013934 1.84963054 9.37750958 0.32032477 0.92675971 0.33759643 Cu 7.49091759 0.00645629 7.49410364 -0.51094989 -0.53764557 -0.30131532 Cu 9.34360123 1.89558213 7.50816928 0.63611355 0.39900997 -0.43583578 Cu 9.35048157 0.01424220 9.34767285 0.20637659 -0.18981692 0.22661580 Cu 7.49357105 1.90698830 9.40254222 -0.55449066 0.15301504 0.53016552 Cu 0.00326134 3.72256985 7.51888070 -0.23406656 0.35763703 -0.84631782 Cu 1.88246908 5.65655841 7.47174139 0.37506824 -0.38605999 -0.38057265 Cu 1.84845625 3.72364993 9.38246173 0.90544213 0.35570574 0.21530711 Cu 0.02171332 5.61675366 9.37845025 -0.32626867 -0.02261362 0.23319622 Cu 3.73550155 3.77151217 7.47731116 0.40444467 -0.24841590 -0.36756453 Cu 5.65625015 5.64749383 7.47869705 -0.33143786 -0.18719572 -0.50035713 Cu 5.62795864 3.78340106 9.36034629 -0.26672824 -0.19222396 0.20903579 Cu 3.75399151 5.61655080 9.38940202 -0.09824507 0.10280667 0.05856441 Cu 7.48329323 3.72164456 7.50593049 -0.64813108 0.26272105 -0.88632649 Cu 9.37373707 5.58361495 7.53346040 0.41081157 0.08524717 -0.76060339 Cu 9.34285343 3.71938071 9.36075064 0.54228019 0.07973728 0.50905027 Cu 7.52497241 5.59184580 9.36322172 -0.65112502 0.05501791 0.47542497 Cu 0.01528908 7.47765483 7.46914613 -0.54426875 -0.48716434 -0.40375942 Cu 1.88388616 9.33934737 7.49066299 0.29920341 0.67712827 -0.28930089 Cu 1.84377097 7.50838890 9.39088041 0.63467505 -0.66238231 0.43988087 Cu 0.00647337 9.34285302 9.36172007 -0.27467528 0.26838915 0.14070815 Cu 3.71298403 7.50665713 7.46938984 0.47589994 -0.77392182 -0.28094345 Cu 5.57227429 9.37072074 7.48382310 0.24471114 0.24108246 -0.35537287 Cu 5.65636148 7.48384998 9.34382027 -0.27756361 -0.39776621 0.40670080 Cu 3.71718535 9.34408132 9.38662925 0.17771988 0.24817785 0.30387949 Cu 7.52421859 7.51831772 7.52787711 -0.78037926 -0.67013518 -1.05032088 Cu 9.37013818 9.36502406 7.47297576 0.42246153 0.45536659 -0.32918394 Cu 9.33955274 7.48341358 9.36760828 0.63208302 -0.35364407 0.46904179 Cu 7.53457565 9.35482015 9.37573869 -0.58050332 0.56758106 0.34779787