500 Lattice="17.895188168482804 0.0 0.0 0.0 17.895188168482804 0.0 0.0 0.0 17.895188168482804" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1617.0239855100222 stress="-0.007465045223053009 0.0001399737537404241 0.00028036815211200135 0.0001399737537404241 -0.007283302656961046 -0.0004536485849178012 0.00028036815211200135 -0.0004536485849178012 -0.007611324572822371" free_energy=-1617.0239855100222 pbc="F F F" Cu 0.01998729 0.03427983 0.00621333 0.52768495 0.47560578 0.51304046 Cu 1.78468182 1.79872743 0.00789335 -0.02623670 -0.14765305 0.13819654 Cu 1.80652896 0.01292473 1.81665560 -0.12579589 -0.16414557 -0.45006208 Cu 0.01723718 1.74110311 1.81737310 -0.00685506 0.18864613 -0.40391937 Cu 3.58415267 0.00118934 0.00119508 0.01973599 0.41719855 0.36265028 Cu 5.39306845 1.81535777 0.00797755 -0.15426890 -0.16477313 0.06016241 Cu 5.37637261 0.02109566 1.80841027 -0.05700580 -0.24962047 -0.24289129 Cu 3.60616212 1.74397179 1.82215057 -0.13935876 0.15560693 -0.55964980 Cu 7.12299963 0.01186920 0.01722232 0.06848591 0.25463478 0.19429740 Cu 8.91376694 1.80315702 0.01632743 0.16563188 -0.11312535 -0.06058523 Cu 8.92815231 0.02074424 1.76620539 0.19804406 -0.15855168 -0.09584196 Cu 7.18639535 1.75568227 1.80383599 -0.28106309 0.23617781 -0.33238142 Cu 10.76584395 0.00029660 0.00083417 -0.07884626 0.44337765 0.41875080 Cu 12.55694919 1.77658459 0.01535986 -0.09280425 -0.17192586 -0.11820009 Cu 12.53814728 0.00710655 1.79924956 -0.02880975 0.01904883 -0.14547595 Cu 10.74352002 1.80995679 1.78663114 -0.12830246 -0.39801461 -0.16441301 Cu 14.35905311 0.02294402 0.01133928 -0.05705323 0.38221114 0.42680892 Cu 16.09167986 1.81543383 0.01624339 -0.30813197 -0.05707080 0.33797634 Cu 16.09063051 0.03128465 1.80601202 -0.28859818 0.29773493 -0.09013059 Cu 14.32776060 1.82292794 1.79979409 0.19730920 -0.46645598 -0.24363186 Cu 0.00719256 3.60084101 0.01987062 0.36298982 -0.20121367 0.34432785 Cu 1.76222155 5.40053895 0.00834720 0.10324458 -0.14655091 -0.14105195 Cu 1.82477866 3.61231513 1.80357742 -0.32128182 -0.36088915 -0.36266067 Cu 0.01789105 5.35017915 1.75559211 -0.12262595 0.14448172 0.15955966 Cu 3.57758070 3.59599470 0.02091494 -0.01659802 -0.15442452 -0.07057658 Cu 5.34148799 5.37158377 0.02930225 0.17602597 -0.05424558 -0.27852580 Cu 5.34828478 3.61182981 1.82254760 0.21313642 -0.31354825 -0.33996781 Cu 3.58264422 5.41872710 1.78455440 -0.13549795 -0.34596972 -0.11871169 Cu 7.13316109 3.61171005 0.01345261 0.12181770 -0.09076789 -0.04811158 Cu 8.98142319 5.38850819 0.02060020 -0.16854675 -0.21176958 -0.10268756 Cu 8.92540308 3.59554731 1.81552345 0.22269071 -0.15311551 -0.36833920 Cu 7.15970574 5.33650231 1.80968785 -0.00015258 0.38781004 -0.14029523 Cu 10.77436449 3.56739750 0.01727092 -0.20316447 0.05006201 -0.09295767 Cu 12.51346588 5.40153045 0.00194016 0.15545244 -0.15990087 -0.10517202 Cu 12.53288825 3.55107470 1.78011732 -0.03377692 0.35550012 -0.08284537 Cu 10.75771578 5.39038764 1.76856795 -0.14558258 -0.18224430 0.19157204 Cu 14.30064300 3.56657853 0.02310559 0.21416484 0.17306101 -0.12757124 Cu 16.12872664 5.33548191 0.01513690 -0.42956408 0.13538033 0.35364086 Cu 16.11233823 3.59653699 1.78961771 0.04675986 -0.06838661 -0.07602289 Cu 14.32073417 5.38299106 1.79642556 0.21038584 -0.23916855 -0.31317910 Cu 0.01213056 7.16582674 0.01597960 0.12840382 -0.00230472 0.21048079 Cu 1.76158741 8.92001864 0.03895947 0.04426383 0.21676710 -0.18476519 Cu 1.77230254 7.16260938 1.75846983 -0.04625781 -0.11716531 0.18492470 Cu 0.01467688 8.91222698 1.82451933 -0.12281992 0.19142187 -0.12074473 Cu 3.60521398 7.18781139 0.01365754 -0.13917226 -0.06096622 -0.22179520 Cu 5.40361463 8.97315490 0.02010088 -0.06929716 -0.21069119 -0.19558905 Cu 5.35748010 7.12386269 1.79685432 0.30933522 0.31688408 -0.14206437 Cu 3.58377501 8.91418762 1.80765816 -0.06840432 0.12424790 -0.29032195 Cu 7.16880690 7.11897524 0.01997346 -0.05351226 0.11597808 -0.09442277 Cu 8.92952028 8.95787747 0.03100113 0.11977543 -0.11370184 -0.12283489 Cu 8.94832115 7.17280525 1.80620506 -0.05582277 -0.18113104 -0.03108908 Cu 7.14407876 8.92548982 1.76955126 0.15987284 0.10869980 0.19660939 Cu 10.71890839 7.12478193 0.02501339 0.15993498 0.38416373 -0.10057497 Cu 12.53769706 8.98159107 0.02538804 -0.10475731 -0.25504377 -0.08627125 Cu 12.56280539 7.12295065 1.82183237 -0.33405072 0.40263293 -0.39337840 Cu 10.72241507 8.94062306 1.81196405 0.16071216 0.01458609 -0.20158763 Cu 14.32814575 7.17722197 0.02929703 0.10062541 -0.04764810 -0.09027475 Cu 16.13533336 8.91618885 0.01797259 -0.44990558 0.14151039 0.40499495 Cu 16.07198618 7.18118336 1.79530949 0.16522029 -0.12600440 -0.09517011 Cu 14.28757642 8.96521971 1.81934360 0.42714818 -0.05280358 -0.31234183 Cu 0.01206181 10.70556748 0.03473154 0.31927465 0.04895362 0.29833209 Cu 1.82474461 12.51936881 0.01222132 -0.32927697 -0.10189398 -0.02706035 Cu 1.78156910 10.73347089 1.82269599 -0.08149222 -0.13627526 -0.37222420 Cu 0.02603215 12.50232605 1.78647006 -0.07261907 0.12780000 -0.06095454 Cu 3.60776562 10.70580086 0.03574822 -0.22054608 0.14111697 -0.13624356 Cu 5.39360980 12.54697756 0.00211096 -0.13220472 -0.15829958 0.09563029 Cu 5.34480992 10.70842278 1.78876901 0.33893882 0.33332587 -0.17637637 Cu 3.55142086 12.55763047 1.81656268 0.25008847 -0.32530596 -0.34828210 Cu 7.18994829 10.72422111 0.03348290 -0.19247841 0.19016083 -0.17394167 Cu 8.92248501 12.55581684 0.03638182 0.16660859 -0.15205486 -0.19603426 Cu 8.93330684 10.76733255 1.80334323 0.18440634 -0.31489501 -0.11175595 Cu 7.18524852 12.55641890 1.80822817 -0.40306560 -0.22516770 -0.19309523 Cu 10.74142088 10.71009293 0.03560298 -0.08596466 0.25054806 -0.10855355 Cu 12.54877707 12.55913237 0.00849323 -0.18001651 -0.17072119 -0.11735255 Cu 12.51931106 10.74894829 1.79478215 0.04797749 -0.07051288 -0.17733076 Cu 10.75093196 12.55268042 1.82348900 -0.04945491 -0.28326395 -0.48998506 Cu 14.34831772 10.74767004 0.00543959 -0.00179271 -0.08161947 -0.01681482 Cu 16.09377335 12.56031281 0.03387977 -0.21541007 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