500 Lattice="17.499999973049402 0.0 0.0 0.0 17.499999973049402 0.0 0.0 0.0 17.499999973049402" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1653.2523914399449 stress="-0.045957586206402 6.816431273046257e-05 -8.390606272694876e-05 6.816431273046257e-05 -0.04501940745075321 -0.00030976482141937384 -8.390606272694876e-05 -0.00030976482141937384 -0.045244250390034275" free_energy=-1653.2523914399449 pbc="F F F" Cu 0.02085594 0.00572081 0.03257954 0.53532982 0.54039340 0.52795417 Cu 1.73558325 1.75913660 0.02681920 -0.05563671 -0.13004749 -0.22671618 Cu 1.76674289 0.02936289 1.76718727 -0.28100800 -0.47799654 -0.26969060 Cu 0.01109527 1.75866048 1.75582650 -0.43728299 -0.37289396 -0.29110129 Cu 3.47011239 0.00075296 0.00005221 -0.09768058 0.27727535 0.24938986 Cu 5.25503279 1.74784657 0.02849844 -0.15233262 -0.19953387 -0.43769535 Cu 5.25050603 0.01161741 1.74139229 -0.15296989 -0.51190681 -0.07124926 Cu 3.53315557 1.73241276 1.77314109 -0.13660153 -0.04340410 -0.33973018 Cu 6.98743518 0.05388760 0.03526143 0.27323041 -0.05556938 -0.05083987 Cu 8.78985175 1.75875496 0.02944825 -0.07086322 -0.21767345 -0.43222478 Cu 8.77323005 0.00714473 1.72675499 0.00479836 -0.29908485 -0.03545343 Cu 7.01063735 1.75126196 1.71881857 -0.23039682 -0.19181530 0.22662732 Cu 10.47445114 0.01315100 0.02003399 0.08701889 0.12423383 0.08778388 Cu 12.25679416 1.76449000 0.01460852 -0.00311245 -0.14921412 -0.22795694 Cu 12.24392156 0.00456601 1.77864407 -0.05147683 -0.51482003 -0.41545675 Cu 10.53062079 1.72277969 1.77348069 -0.10151740 0.25112699 -0.30133693 Cu 13.99698070 0.01092839 0.01212764 0.20242690 0.35160011 0.43250641 Cu 15.72942497 1.74991863 0.01194169 -0.30743068 -0.31625966 0.25103734 Cu 15.77887852 0.01429968 1.76319882 -0.31223793 0.32098212 -0.12468171 Cu 13.98218883 1.74971694 1.78434141 0.21492038 -0.34333463 -0.59425438 Cu 0.01305506 3.46553806 0.03080382 -0.06039912 -0.04461585 0.17413471 Cu 1.69587857 5.22513026 0.00202118 0.12582225 0.02219846 -0.34418777 Cu 1.76326219 3.53360704 1.76833305 -0.01050318 -0.15968524 -0.25173539 Cu 0.02819764 5.26463029 1.77619846 -0.38346922 -0.07785969 -0.20653161 Cu 3.53815201 3.49688890 0.01010636 -0.14798410 -0.14915158 -0.37640580 Cu 5.27962746 5.25940788 0.02142178 -0.11937484 0.12712526 -0.48815969 Cu 5.23294822 3.52746934 1.74826994 0.27506120 -0.25113249 -0.16194182 Cu 3.50580437 5.23618432 1.73198222 -0.14727169 0.29990209 -0.14161834 Cu 6.98970032 3.49599107 0.02126304 0.16846260 0.11713080 -0.41760487 Cu 8.76429104 5.31265520 0.00848177 -0.02453409 -0.24622262 -0.18099634 Cu 8.71604664 3.48218857 1.77559667 0.16776210 0.11861969 -0.27306078 Cu 6.98806039 5.28104010 1.75882781 0.17602150 -0.21004512 -0.12919085 Cu 10.47094028 3.47624089 0.00568502 0.03967439 0.08972976 -0.27661165 Cu 12.24664847 5.26143351 0.01533740 -0.07135850 -0.23640407 -0.42634294 Cu 12.25763016 3.53198778 1.77467803 -0.00995101 -0.01094454 -0.37283193 Cu 10.50867451 5.22800328 1.76652469 -0.13986992 0.38518492 -0.21966793 Cu 14.00996584 3.50238485 0.02607089 0.15945011 -0.03573793 -0.25988742 Cu 15.74755898 5.27926425 0.01706014 -0.09920073 0.00189963 0.19985412 Cu 15.75434937 3.45138703 1.71904375 0.28260815 0.21790015 -0.06991184 Cu 14.01212968 5.27863662 1.78351544 0.39595238 -0.13368386 -0.43925490 Cu 0.00803680 6.97290590 0.00630483 0.23554823 0.16963164 0.29538674 Cu 1.77566811 8.75500827 0.02591673 -0.50235491 0.15938069 -0.46810230 Cu 1.72928184 7.02549269 1.77293966 0.00930045 -0.45017664 -0.27625419 Cu 0.03265566 8.77040792 1.77410726 -0.40265077 0.09962001 -0.37232156 Cu 3.50259035 7.03266205 0.03204609 -0.15603205 -0.31885670 -0.43643849 Cu 5.22066035 8.72845951 0.01493005 0.17603418 0.15928212 -0.39831978 Cu 5.27931017 7.02538964 1.74139646 -0.17898273 -0.14796963 -0.03229706 Cu 3.46552120 8.76382653 1.71592740 0.21894929 0.09728046 0.33879678 Cu 6.98567865 6.96931069 0.01295079 0.02440624 0.22723606 -0.58714333 Cu 8.73105330 8.76863782 0.02183752 0.40223839 -0.35009760 -0.46121872 Cu 8.72805679 7.02713915 1.77709616 0.15557136 -0.06319212 -0.33021564 Cu 7.03561281 8.77430927 1.73300538 -0.15785283 -0.14945093 -0.07051047 Cu 10.52676413 6.99633890 0.00372915 -0.08828261 0.18987396 -0.36076810 Cu 12.21588153 8.75989870 0.01693178 0.21321314 0.01729916 -0.53159019 Cu 12.28981074 6.97580683 1.71706024 -0.20908895 0.09350264 0.14792400 Cu 10.52572957 8.71749527 1.76419860 -0.20920830 0.12345002 -0.30026646 Cu 14.00428464 7.01097929 0.01294634 0.10590923 0.03422017 -0.42557609 Cu 15.73798790 8.77063108 0.01472518 -0.02269326 -0.03070347 0.08381707 Cu 15.76287612 7.01735138 1.70207308 0.21768845 0.17516311 0.15703159 Cu 13.98710771 8.76272428 1.76077098 0.17084697 -0.06950459 -0.29731081 Cu 0.03096846 10.55778053 0.02776445 0.12085295 -0.06263545 0.18273261 Cu 1.75538827 12.23534430 0.00375097 -0.07751503 0.16563742 -0.36406936 Cu 1.76573616 10.53061640 1.77179859 -0.40243711 -0.08750241 -0.29129168 Cu 0.00219128 12.27980647 1.77051519 -0.40164036 -0.01040580 -0.22698193 Cu 3.48331439 10.49511596 0.00017461 0.04988644 0.14175564 -0.43871931 Cu 5.24083418 12.25154771 0.01254809 -0.09292615 -0.00766807 -0.37026887 Cu 5.26609905 10.49494753 1.76047663 -0.17399185 -0.00180639 -0.25609232 Cu 3.46908905 12.24436247 1.78014844 0.34373351 -0.12616818 -0.21053504 Cu 7.03272923 10.51721507 0.02039077 -0.16155546 0.10372729 -0.53975994 Cu 8.74937313 12.29306231 0.01272160 0.29712733 -0.05396296 -0.36492662 Cu 8.75193386 10.51112033 1.73777454 0.08653899 -0.32959967 0.02358930 Cu 7.01156333 12.22565976 1.74868520 -0.02865254 0.16216860 -0.15722857 Cu 10.51910445 10.49294971 0.00139743 -0.41530861 -0.09510854 -0.26129379 Cu 12.19388698 12.24757637 0.01784497 0.18109120 -0.02675034 -0.64599802 Cu 12.26413148 10.53008133 1.72990729 -0.04680447 -0.18699929 -0.06424552 Cu 10.49231910 12.23654253 1.78704167 0.00432755 0.26035806 -0.40742754 Cu 14.03290148 10.53322361 0.02692294 0.01749486 -0.02778519 -0.41736042 Cu 15.73717142 12.26859790 0.01728883 0.10593449 0.03964676 0.21770636 Cu 15.77436617 10.47850355 1.74573115 0.33257232 0.03049553 -0.17236776 Cu 13.99451764 12.25242008 1.73334796 0.44732989 0.14021011 0.01878026 Cu 0.01194743 14.00213153 0.03162393 0.08989867 0.02815326 0.20844368 Cu 1.73832589 15.73188021 0.03188953 -0.06796831 -0.28673179 0.22460389 Cu 1.75602180 13.96976513 1.73399333 -0.04419635 0.51220338 -0.02130852 Cu 0.03016973 15.75912452 1.75706227 0.27617492 -0.33627958 0.02181918 Cu 3.52615460 13.97153402 0.01688639 -0.06332692 0.26681595 -0.39892092 Cu 5.24981512 15.71661225 0.00832726 0.10836583 -0.11816027 0.13952617 Cu 5.24190440 13.99822685 1.75422920 -0.08194620 0.19765718 -0.20458330 Cu 3.49804340 15.78408813 1.74939921 -0.14779833 0.15730069 -0.24624212 Cu 6.99665964 13.98592561 0.02369223 -0.18184295 0.08080586 -0.38826473 Cu 8.74124920 15.72864632 0.00968480 -0.08201923 -0.11738252 -0.03895919 Cu 8.77145416 14.02691636 1.74274177 -0.21595158 -0.10144607 -0.17655763 Cu 7.01894408 15.74950823 1.69517946 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0.15225668 -0.11522863 -0.18035133 Cu 5.22953391 0.02064847 5.27788843 0.15131084 -0.61632264 -0.09228874 Cu 3.51250364 1.75788882 5.26409542 -0.20688296 -0.08262338 -0.45016534 Cu 7.04925716 0.01942109 3.47902253 -0.10385870 -0.34539000 -0.09825110 Cu 8.76963532 1.77159503 3.52260277 -0.09258701 -0.30593295 -0.47978205 Cu 8.74119527 0.01454299 5.25353940 0.16664304 -0.31315697 0.16338628 Cu 7.00906109 1.73855013 5.25093123 -0.13047213 -0.12278503 0.20336679 Cu 10.50715093 0.02215330 3.47030431 -0.08585512 -0.63611928 0.20861683 Cu 12.23441401 1.78035788 3.48175229 0.14962519 -0.13691701 0.32676335 Cu 12.27960322 0.00693596 5.23411940 -0.15353609 -0.24589108 -0.06655822 Cu 10.48973428 1.78256407 5.21002300 0.01475930 -0.55242439 0.32904303 Cu 13.97009699 0.01472618 3.47538446 0.34083154 -0.37699689 0.04861273 Cu 15.72260509 1.74054406 3.46993501 0.40575676 -0.19686985 0.10816274 Cu 15.75122588 0.02014799 5.24745736 -0.32035478 0.28946093 -0.15747638 Cu 13.99926265 1.76397777 5.25020150 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