108 Lattice="10.650909861557976 0.0 0.0 0.0 10.650909861557976 0.0 0.0 0.0 10.650909861557976" Properties=species:S:1:pos:R:3:forces:R:3 energy=-329.62961297725377 stress="-0.00741073990794845 0.0009324758041899489 0.001895541802832423 0.0009324758041899489 -0.007018740070390096 0.0015090994109772523 0.001895541802832423 0.0015090994109772523 -0.006886257653815779" free_energy=-329.62961297725377 pbc="F F F" Cu 0.00304502 0.00674283 0.00903550 0.46025856 0.48163556 0.49949874 Cu 1.80700415 1.74058580 0.01910870 -0.33672858 0.14552299 -0.57200823 Cu 1.79626065 0.01895997 1.74575713 -0.17002639 -0.35293408 0.24724968 Cu 0.02196635 1.79791339 1.78203178 -0.29379780 -0.27892063 -0.07977532 Cu 3.52140594 0.00061015 0.00277964 0.19887173 0.09261410 0.06193538 Cu 5.30099609 1.80700432 0.01429415 0.20111866 -0.16988486 -0.31046403 Cu 5.29074582 0.00507026 1.74984409 0.22037612 -0.20066668 0.05574799 Cu 3.52377713 1.80890583 1.75949745 0.40871759 -0.34217771 0.22949477 Cu 7.11157930 0.02265418 0.00219828 -0.12348000 0.26540775 0.30530837 Cu 8.86218180 1.77542962 0.00850361 -0.22785203 0.10256362 0.27761577 Cu 8.87537418 0.03376011 1.80917625 -0.17839521 0.20568585 -0.09009999 Cu 7.09000201 1.76224634 1.78023852 0.13085028 0.15677902 -0.10220243 Cu 0.02687585 3.51519384 0.02210366 0.00706774 0.08014218 -0.03144161 Cu 1.79584985 5.29270636 0.00899334 -0.36680141 0.23284300 -0.46873474 Cu 1.77492723 3.52819524 1.74096820 -0.15552898 0.24941520 0.33698348 Cu 0.01313562 5.35682785 1.76135822 -0.43856987 -0.33926292 -0.02663877 Cu 3.54315129 3.55763827 0.00554593 0.12502402 -0.01174019 -0.55157064 Cu 5.33958542 5.35506102 0.01123421 -0.05913594 -0.17005207 -0.39407040 Cu 5.29068021 3.57880871 1.79511514 0.37789073 -0.18874176 -0.13100972 Cu 3.53440388 5.30727538 1.74816157 0.05832048 0.26674501 0.26583382 Cu 7.11195252 3.56747615 0.01523721 -0.05611577 -0.15346339 -0.16986302 Cu 8.87155533 5.30484363 0.01772544 -0.06807869 0.09420477 0.15917271 Cu 8.90163542 3.53852299 1.80268223 0.11622280 0.00930219 -0.01690537 Cu 7.12950534 5.31834713 1.77584440 -0.05499860 0.07411117 0.07497709 Cu 0.00044998 7.12622353 0.01455178 0.20885218 -0.11073476 0.12275746 Cu 1.73990277 8.89321183 0.01548486 0.18683427 -0.20324084 0.14971180 Cu 1.74038258 7.09939160 1.75588206 0.17403688 0.24396328 -0.07994746 Cu 0.03512991 8.89347479 1.77713231 0.08505985 -0.17614641 0.13977768 Cu 3.50303681 7.09368191 0.00177208 0.19245580 0.13130743 -0.37122729 Cu 5.35940330 8.86060384 0.05160914 -0.07934697 -0.09071113 -0.08809212 Cu 5.30027251 7.09671913 1.75878735 0.38506105 0.12983681 0.21136733 Cu 3.56154788 8.84422025 1.75017153 -0.16615371 0.49584729 0.09945882 Cu 7.11162668 7.08597625 0.01313413 0.06462378 0.08036804 -0.24185824 Cu 8.86194892 8.84063147 0.02015580 -0.30138610 -0.28062147 0.24476201 Cu 8.86237486 7.13467605 1.77563654 0.40050222 -0.15049617 -0.01019717 Cu 7.13606559 8.89875485 1.75284676 -0.14548224 0.09091259 0.26432991 Cu 0.00082344 0.01444560 3.48707265 0.23432386 0.17846874 0.14244282 Cu 1.79959588 1.78970773 3.58012017 -0.19995262 -0.32045805 -0.34969053 Cu 1.75555878 0.01657476 5.33950627 0.03580776 -0.49195197 -0.23143165 Cu 0.03028624 1.79076203 5.30051049 -0.55703329 -0.20455875 0.14542513 Cu 3.57459250 0.01593575 3.54062252 -0.19478536 -0.38537675 0.06366243 Cu 5.34417351 1.74852353 3.57804959 -0.27431664 0.22692470 -0.27670295 Cu 5.35725671 0.00429193 5.31911750 -0.13915982 -0.39264723 0.18292283 Cu 3.52972029 1.76253424 5.35374532 0.30543427 -0.10031945 -0.19517406 Cu 7.12609719 0.02732036 3.55947428 -0.08375921 -0.44703016 -0.08647714 Cu 8.87966545 1.78276715 3.58777868 0.28158187 0.08507591 -0.13286541 Cu 8.87179265 0.01180284 5.35895114 -0.08764255 0.05389316 -0.15244231 Cu 7.11243220 1.80093361 5.30239761 0.05439813 -0.14231012 0.42610128 Cu 0.00820578 3.51667715 3.56890133 -0.30139745 0.32807128 -0.19800781 Cu 1.74595983 5.34743902 3.51498643 0.18587556 -0.29410548 0.26583134 Cu 1.80364256 3.51902522 5.35013414 -0.34591394 0.50046666 -0.21234651 Cu 0.01117469 5.35797898 5.29053096 -0.38083823 -0.32986339 0.22871214 Cu 3.54684841 3.56764453 3.56833722 0.04370414 -0.11104625 -0.17349454 Cu 5.33988127 5.35678140 3.57216141 -0.15145295 -0.05871489 -0.19679329 Cu 5.28342236 3.53556299 5.35894366 0.29922481 0.07173300 -0.16093174 Cu 3.54087418 5.31526155 5.30641948 0.01258751 0.26815479 0.08675207 Cu 7.07033860 3.57412192 3.56107360 0.32995470 -0.06707239 -0.04964251 Cu 8.89897392 5.37481892 3.57706727 0.27114245 -0.24624854 -0.11646667 Cu 8.87367014 3.59506688 5.33653030 0.34466161 -0.16857934 -0.02386417 Cu 7.08333080 5.35101391 5.34690111 0.29971348 -0.13037745 -0.17439703 Cu 0.01129005 7.10205318 3.54482874 -0.41421624 0.18097508 -0.08075503 Cu 1.78597278 8.86838994 3.57616430 -0.02683921 0.35350617 -0.32202292 Cu 1.75128037 7.09769636 5.34060725 0.30931055 0.15346430 -0.10092993 Cu 0.05133038 8.86522603 5.30711731 -0.08509809 0.01892854 0.10523524 Cu 3.53535783 7.12177612 3.51506783 0.11222312 -0.08906137 0.30102466 Cu 5.34691091 8.90401077 3.57695466 -0.01743002 0.09927325 -0.20124087 Cu 5.32469620 7.12143625 5.31864926 0.00173739 0.22334285 0.04743061 Cu 3.51555807 8.88669957 5.32877313 0.14239395 0.22532484 0.09187306 Cu 7.15732308 7.09407293 3.56563133 -0.36994607 0.40866131 -0.19394191 Cu 8.90917912 8.89892460 3.54954822 -0.29881420 -0.26642014 0.03160791 Cu 8.85363054 7.12615778 5.36075908 0.50605257 -0.11276449 -0.08368701 Cu 7.13030508 8.88000722 5.35188013 -0.20143722 0.33041481 -0.16371828 Cu 0.02675564 0.02854153 7.11397990 0.03889606 0.09620859 -0.03395491 Cu 1.75205779 1.75729508 7.07597636 0.05915267 0.10712162 0.55013719 Cu 1.78981912 0.02346766 8.87119828 -0.04660997 0.22195407 -0.09652909 Cu 0.00165820 1.80249004 8.85189967 0.21748401 -0.01185418 -0.06643500 Cu 3.51766272 0.01737365 7.12332064 0.14937487 -0.42402939 -0.04944264 Cu 5.31210349 1.73367869 7.10160541 0.20252743 0.27833311 0.14025239 Cu 5.29529151 0.03293837 8.86463738 0.17157724 0.03675565 -0.06624726 Cu 3.55549683 1.80200709 8.90086003 -0.07268249 -0.07568450 0.19244645 Cu 7.13558753 0.00366809 7.10863385 -0.14318518 -0.17835580 0.08435973 Cu 8.89959189 1.74759036 7.08724239 0.09739097 0.26418940 0.19377179 Cu 8.84729498 0.01675186 8.90765493 -0.36661928 0.41681592 -0.46422754 Cu 7.11897506 1.77222532 8.86456372 -0.08329921 0.07990096 0.16892612 Cu 0.02273142 3.54809690 7.12437949 -0.31040679 0.14786794 -0.16353586 Cu 1.78326387 5.33766286 7.07575043 -0.24188771 -0.13390057 0.31809649 Cu 1.78985288 3.56308075 8.90501832 -0.12206766 -0.09639662 0.16121731 Cu 0.02865041 5.30117634 8.89892772 0.17208787 0.15993795 -0.24718155 Cu 3.52099990 3.55733064 7.13006040 0.29255951 -0.04040853 -0.03083656 Cu 5.36031182 5.35076977 7.07070804 -0.43349202 -0.19887696 0.28007776 Cu 5.31693066 3.58293161 8.87335450 0.15593784 -0.22580320 0.21523989 Cu 3.54694935 5.31156590 8.89392550 0.07563690 0.15804520 0.24130153 Cu 7.10324796 3.56917620 7.09199778 0.04795637 -0.32395754 0.21863594 Cu 8.86244974 5.31718671 7.13745566 0.38907417 0.16678597 -0.15014264 Cu 8.86160583 3.57720396 8.87698239 -0.17770451 -0.18857368 -0.16286243 Cu 7.08799273 5.35201208 8.86487848 0.15769236 -0.24248085 0.46666785 Cu 0.01978449 7.11319636 7.09164590 -0.37102264 -0.05578239 0.25514181 Cu 1.74268216 8.89578473 7.13472885 0.21453710 0.11234152 -0.06568438 Cu 1.80445430 7.08702984 8.84216329 -0.23676567 0.07464417 0.37868409 Cu 0.03359172 8.86092539 8.90324370 0.42380015 -0.47530577 -0.41042602 Cu 3.57174297 7.07782668 7.10052994 -0.16714115 0.38580167 0.06545641 Cu 5.30260079 8.89906402 7.10896228 0.11797196 0.13432540 0.04997299 Cu 5.35755519 7.07007217 8.84555725 -0.31724663 0.40431567 0.50133735 Cu 3.52700334 8.86538125 8.89424631 0.09729888 -0.23757364 -0.25107277 Cu 7.12273454 7.12096218 7.14955419 -0.15895698 0.20971373 -0.28141683 Cu 8.85630496 8.85956343 7.08336025 -0.00548871 0.06706806 0.16496505 Cu 8.85499022 7.12868119 8.85802352 -0.03086403 -0.11291386 -0.01206655 Cu 7.12684105 8.89274968 8.90761252 -0.21587683 -0.25741510 -0.34649962