256 Lattice="14.851993560791016 0.0 0.0 0.0 14.851993560791016 0.0 0.0 0.0 14.851993560791016" Properties=species:S:1:pos:R:3:forces:R:3 energy=-615.2731682655539 stress="-0.004661094075676203 -0.00013099790079537264 -0.000118230488247094 -0.00013099790079537264 -0.004556870192683339 0.00019610424739321592 -0.000118230488247094 0.00019610424739321592 -0.004688348189137804" free_energy=-615.2731682655539 pbc="F F F" Cu 0.02434921 0.02125245 0.01956635 -0.42688402 -0.47309604 -0.41273755 Cu 1.83385354 1.84855973 0.00349834 0.77392229 0.54351701 -0.67697078 Cu 1.82322674 0.00841521 1.88936499 0.93477557 -0.62702742 0.27988583 Cu 0.01930712 1.84690095 1.84881700 -0.79478253 0.69749787 0.59293645 Cu 3.68693351 0.00337693 0.03205889 -0.13874683 -0.49755922 -0.45841355 Cu 5.54477140 1.82052640 0.00179083 0.25696017 0.87649855 -0.58821905 Cu 5.55251277 0.00945978 1.83129086 0.22650338 -0.60978434 0.91569132 Cu 3.74858299 1.86944000 1.87141259 -0.17628937 0.69307466 0.79380698 Cu 7.45706282 0.00195560 0.00239164 -0.12406254 -0.40451198 -0.31302149 Cu 9.27311449 1.83617903 0.03654997 -0.12470502 0.54864283 -0.84714288 Cu 9.31620885 0.03359582 1.84721549 -0.44142662 -0.80322354 0.70862823 Cu 7.39136687 1.88144981 1.87884642 0.01014862 0.28379740 0.44580119 Cu 11.13225112 0.00580757 0.03401353 -0.18079391 -0.67466422 -0.78222684 Cu 12.99275879 1.87627218 0.01589904 0.56776868 0.36457505 -0.60204311 Cu 13.02010399 0.03012849 1.85515761 0.62886822 -0.68233439 0.21925085 Cu 11.13905373 1.82867226 1.81977820 -0.46516638 1.23637966 1.12007152 Cu 0.02997312 3.74286194 0.01668458 -0.63690791 -0.19479738 -0.49454407 Cu 1.82348330 5.55794726 0.03053014 0.87935674 0.17307193 -0.68043382 Cu 1.87070542 3.67787469 1.85884838 0.59876287 0.19417833 0.82382206 Cu 0.02056184 5.58294979 1.84151027 -0.60298358 -0.12861233 0.86818902 Cu 3.70935932 3.70642231 0.01722648 0.13439173 0.05347982 -0.43904370 Cu 5.56414797 5.56268098 0.00029693 0.13622815 0.01825240 -0.33223115 Cu 5.61143219 3.74975324 1.88672542 -0.40684161 -0.17030057 0.36223050 Cu 3.69639962 5.55574754 1.85832738 0.26618964 0.20639384 0.59292739 Cu 7.46257406 3.69418821 0.00074440 -0.51039035 0.02471477 -0.55288378 Cu 9.24631092 5.55158535 0.01580636 0.18795374 0.01653745 -0.55596694 Cu 9.25467504 3.68911795 1.82712869 0.22562817 0.31513648 1.36876343 Cu 7.41951577 5.55925330 1.87397572 0.20425486 -0.11131570 0.71868934 Cu 11.10379956 3.68578592 0.00579693 -0.27296812 0.31893428 -0.68338633 Cu 13.00077087 5.62685125 0.00098428 0.33770573 -0.31496740 -0.46419495 Cu 12.96336938 3.73966644 1.85852372 0.58077938 -0.09869249 0.44031875 Cu 11.12269353 5.55891463 1.82862104 -0.79352017 0.04827427 0.90889185 Cu 0.00593749 7.44573101 0.03205615 -0.43365547 0.09306352 -0.46785302 Cu 1.84165772 9.31428579 0.01582348 0.67367670 -0.39274397 -0.57186600 Cu 1.84829626 7.42461985 1.88579062 0.85348986 0.22862878 0.58755261 Cu 0.00240466 9.31890449 1.88175762 -0.67986652 -0.49550598 0.43261997 Cu 3.70667095 7.41050106 0.00456870 -0.03756884 0.02935966 -0.29266303 Cu 5.53320567 9.29207126 0.02794318 0.36329317 -0.34772173 -0.49165609 Cu 5.58750306 7.41883680 1.89035443 -0.25697505 0.09333953 0.30301274 Cu 3.71705046 9.29199629 1.84264157 -0.12356021 -0.30806710 1.01224944 Cu 7.46250530 7.40074815 0.03603991 -0.60788727 0.24382890 -0.62301452 Cu 9.23889127 9.30253253 0.00098496 0.19212113 -0.17007171 -0.58707039 Cu 9.23587007 7.43794474 1.82321690 0.24515683 -0.13213255 1.26939001 Cu 7.44977860 9.30318696 1.87505900 -0.16944120 -0.24458855 0.74834430 Cu 11.10866213 7.41263174 0.02272458 -0.62527585 0.19161469 -0.71993730 Cu 13.01148394 9.25553126 0.01806108 0.26050601 0.08978032 -0.53898755 Cu 12.97409099 7.45119564 1.82564238 0.58118182 -0.15975955 0.79844571 Cu 11.10535803 9.25423177 1.87525482 -0.60038637 0.14153077 0.54199052 Cu 0.03689608 11.14824454 0.00733468 -0.77162819 -0.36649910 -0.66686517 Cu 1.82277831 13.02484627 0.00334666 0.61538200 0.49656786 -0.45491573 Cu 1.82952958 11.13733264 1.85487656 1.17865671 -0.39646062 0.79352305 Cu 0.02533508 12.96763919 1.87227928 -0.66229638 0.74824419 0.36572427 Cu 3.70394409 11.15357648 0.02000422 -0.00043644 -0.35491165 -0.61748778 Cu 5.60882036 12.97832783 0.03121321 -0.17667205 0.59833003 -0.65305089 Cu 5.60938083 11.14880363 1.82978640 -0.34209826 -0.79146384 0.84090729 Cu 3.73533807 12.99019019 1.85176837 -0.32705014 0.56741113 0.48624671 Cu 7.41189370 11.12625625 0.03392450 0.16080782 -0.51718889 -0.85540718 Cu 9.29602495 12.96751231 0.03340223 0.00130507 0.53212962 -0.63028135 Cu 9.30475020 11.13142854 1.84861103 -0.37013451 -0.74264641 1.07817551 Cu 7.45657505 12.98808310 1.82533869 -0.02516434 0.68483264 0.79805709 Cu 11.11986232 11.11437651 0.03391887 -0.22609409 -0.55293367 -0.85634991 Cu 13.01413971 12.96201958 0.02616851 0.22723796 0.34981874 -0.40196141 Cu 12.99641528 11.13545596 1.82998430 0.66680266 -0.79219695 0.83302560 Cu 11.15973151 12.96158684 1.87303810 -0.53856522 0.91135405 0.27876711 Cu 0.03505981 0.02040649 3.69002825 -0.68870088 -0.48814412 0.28403692 Cu 1.88681369 1.84909400 3.75543028 0.40741225 0.98468574 -0.37915467 Cu 1.85202920 0.01886668 5.56366825 0.56159671 -0.80326937 0.12145586 Cu 0.01205245 1.83357496 5.59765131 -0.75939633 0.83498917 -0.30140560 Cu 3.69106333 0.00183403 3.72307770 0.33710783 -0.52073503 -0.09151837 Cu 5.56568098 1.88738777 3.74822589 -0.22566051 0.37185991 -0.28324885 Cu 5.59664159 0.00956624 5.53841076 -0.32703435 -0.54702175 0.19271110 Cu 3.68888978 1.87057003 5.53335642 0.45478299 0.81106095 0.57267790 Cu 7.46462520 0.01660105 3.70273518 -0.23632991 -0.49411231 -0.13764655 Cu 9.28134352 1.86096450 3.69098222 0.20094977 0.83508478 0.27205909 Cu 9.28366232 0.02240430 5.57142430 0.16983350 -0.44356367 -0.18575393 Cu 7.39989173 1.83089439 5.56224300 0.33650357 1.03073030 0.23912427 Cu 11.17412032 0.03663575 3.67601319 -0.83203103 -0.71360484 0.28889862 Cu 13.01162034 1.82441203 3.70173114 0.53004458 0.95145812 0.11847491 Cu 12.96316087 0.00706651 5.56149671 0.62353792 -0.62712460 -0.00215600 Cu 11.15364129 1.83362779 5.60029574 -0.85728157 1.09017260 -0.36551293 Cu 0.01722990 3.70422316 3.69112041 -0.37113420 0.13097075 0.24708024 Cu 1.89355725 5.56585237 3.73559763 0.16523253 -0.08375739 -0.11808161 Cu 1.84375858 3.70914613 5.58535513 0.80237702 0.29434279 0.07157885 Cu 0.01985127 5.59791494 5.57941189 -0.33624924 -0.30153176 0.10790230 Cu 3.70137665 3.77768344 3.71391449 0.29215433 -0.41365961 0.08876805 Cu 5.59262324 5.58417738 3.71328406 -0.12526056 -0.09620783 0.29125507 Cu 5.58175345 3.73722056 5.53648820 -0.26651009 -0.10397311 0.23404117 Cu 3.70658845 5.59014806 5.55365706 0.15309318 -0.25754403 0.45439214 Cu 7.41255534 3.67635094 3.73262140 0.40494515 0.53952637 0.03618416 Cu 9.29965268 5.58532025 3.73572618 -0.38933852 -0.35737659 -0.34231145 Cu 9.25913223 3.67737964 5.57938746 0.13487917 0.03122545 0.05367054 Cu 7.46006495 5.54354747 5.58164561 -0.06967840 0.42045086 -0.19841400 Cu 11.16954597 3.72824110 3.74256183 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3.73930622 12.96737820 -0.25062666 -0.10163050 0.57540879 Cu 7.43931202 5.60632069 12.98373500 0.01488795 -0.26291871 0.59173637 Cu 11.14846021 3.67889378 11.14245328 -0.52675908 0.63340378 -0.68862287 Cu 13.01015264 5.60310206 11.16203268 0.52986868 -0.43594528 -0.75977333 Cu 12.97845526 3.70797905 13.02040169 0.41560779 0.07753823 0.31633247 Cu 11.14232179 5.59286171 12.98816856 -0.48529726 -0.27007126 0.54723366 Cu 0.02889180 7.44310232 11.16821994 -0.72951221 -0.19935391 -0.69974846 Cu 1.83817325 9.32356960 11.14023185 0.93336213 -0.48691297 -0.52373033 Cu 1.83421498 7.40876533 13.00425553 0.86455366 -0.04054924 0.43457745 Cu 0.00581755 9.27005693 12.97399794 -0.49232199 0.11837262 0.60846073 Cu 3.74141775 7.45061789 11.14996935 -0.30689136 -0.44611352 -0.71559398 Cu 5.60559213 9.30451969 11.12301474 -0.10956020 -0.17447056 -0.47362023 Cu 5.54106332 7.40173734 13.01914964 0.30105326 0.23252225 0.31969588 Cu 3.71681957 9.24958190 12.96327679 -0.04866721 0.33143303 0.50864930 Cu 7.42849896 7.39559108 11.15537105 -0.07432357 0.51570684 -0.72858848 Cu 9.30508180 9.29711545 11.14452769 -0.59490551 -0.19438372 -0.78654511 Cu 9.30832496 7.41413978 12.97037923 -0.33040429 0.21151219 0.52394065 Cu 7.39245685 9.30852846 13.03220180 0.43479758 -0.43739780 0.24629183 Cu 11.16553518 7.40358777 11.17560954 -0.99066415 0.07485161 -1.16407653 Cu 12.95844615 9.28596799 11.11156381 0.82963261 0.04842011 -0.13357366 Cu 12.99159172 7.43720107 12.96394889 0.60006530 0.17251424 0.70022441 Cu 11.11745429 9.27835881 12.99347851 -0.23172336 0.09472317 0.62543446 Cu 0.02790020 11.16133637 11.15864094 -0.92475137 -0.31355687 -0.63202652 Cu 1.86869908 13.00593932 11.14163518 0.28061388 0.74479576 -0.70265003 Cu 1.82659559 11.17537815 12.96646209 0.63417066 -0.80542076 0.98461062 Cu 0.00261211 13.02610407 13.02983588 -0.25508954 0.29098197 0.18423580 Cu 3.69870667 11.15737479 11.15094056 0.23282265 -0.94566865 -0.79303196 Cu 5.55055497 12.96217201 11.15593886 0.03336441 0.76892146 -0.29475637 Cu 5.59763714 11.12391684 13.01661930 -0.48141014 -0.40483807 0.57845479 Cu 3.68686161 12.96160079 12.99239457 0.24356175 0.54492527 0.61042132 Cu 7.41242694 11.16426936 11.17566829 0.29863642 -0.99192406 -1.07945655 Cu 9.31289141 12.97519455 11.16752291 -0.27149496 0.79926562 -0.83316927 Cu 9.31961503 11.16587698 12.95968471 -0.29257804 -0.82602454 0.81652015 Cu 7.42883435 12.97306025 13.00873062 0.00789010 0.58298343 0.47440575 Cu 11.15398686 11.13306053 11.12261452 -0.38571438 -0.28338291 -0.53360603 Cu 13.02680573 13.01670526 11.17294492 0.25958897 0.31565888 -0.63729816 Cu 13.02954094 11.14224951 13.02099578 0.30709532 -0.51671204 0.32423403 Cu 11.14573356 12.98057721 12.98915389 -0.17647004 0.56483143 0.59686087