256 Lattice="14.272528302951335 0.0 0.0 0.0 14.272528302951335 0.0 0.0 0.0 14.272528302951335" Properties=species:S:1:pos:R:3:forces:R:3 energy=-935.4847180245664 stress="-0.004305806844589594 9.10902875843828e-05 0.0002514332754781322 9.10902875843828e-05 -0.004389389709132002 -0.00035876428988004686 0.0002514332754781322 -0.00035876428988004686 -0.004457384532113588" free_energy=-935.4847180245664 pbc="F F F" Cu 0.00728461 0.03282991 0.00975703 0.42262705 0.39139765 0.43852787 Cu 1.79820820 1.78857909 0.02673436 -0.28641988 -0.10662418 0.21036734 Cu 1.81040734 0.00052009 1.78824007 -0.28222380 0.15648149 -0.13174871 Cu 0.01871633 1.81757158 1.77883149 0.23571098 -0.22249101 -0.14895811 Cu 3.55018629 0.02703707 0.01766751 0.06621207 0.21563389 0.16892528 Cu 5.34566364 1.80393991 0.01393050 -0.08185355 -0.25704902 0.06231728 Cu 5.36520307 0.00954457 1.80126188 -0.06509817 0.11742359 -0.15232728 Cu 3.54047043 1.75092717 1.79361910 0.25084231 -0.03330680 -0.28826124 Cu 7.11723367 0.02174994 0.02879110 -0.06619230 0.21477381 0.15989345 Cu 8.91936969 1.74175408 0.03227857 0.13913501 0.11741207 0.00948972 Cu 8.90478321 0.04702959 1.77517643 0.11595843 -0.05528675 -0.04025483 Cu 7.12263347 1.80346734 1.75467862 0.12009438 -0.36905561 -0.00467345 Cu 10.73449749 0.02420715 0.02277451 0.01196957 0.31368635 0.37904214 Cu 12.49837101 1.79938076 0.00897357 -0.27955151 -0.07905079 0.24561977 Cu 12.47363454 0.00645870 1.80676814 -0.16338281 0.35551882 -0.10213512 Cu 10.72761552 1.80966935 1.80284547 0.11245369 -0.21765402 -0.37331792 Cu 0.00892755 3.57727836 0.00435981 0.20811186 -0.13807490 0.19181691 Cu 1.78053409 5.31817471 0.00975349 -0.04670327 0.16948483 0.03043786 Cu 1.76187109 3.61664248 1.78376995 -0.15877182 -0.22813002 -0.29741929 Cu 0.01906935 5.37443969 1.77896482 -0.01148594 -0.01394731 -0.17110981 Cu 3.55272178 3.51803000 0.00454406 0.04835433 0.08556799 0.04444171 Cu 5.34819547 5.33971771 0.04183761 -0.06162937 -0.04470881 -0.07030060 Cu 5.38063112 3.54941056 1.80709002 -0.31837467 0.13793598 -0.37468727 Cu 3.56951675 5.36570892 1.81522628 0.00700219 -0.14793714 -0.60249636 Cu 7.12163669 3.53035263 0.02713450 0.13074750 0.08964501 -0.16246862 Cu 8.94136138 5.34290579 0.00272206 -0.12328418 0.00906513 -0.00637088 Cu 8.90976937 3.59529723 1.81445825 0.10321931 -0.31759810 -0.57816703 Cu 7.15861706 5.35438472 1.76427388 -0.16079741 -0.00784365 -0.25504834 Cu 10.73039687 3.57335273 0.00092178 0.01327029 -0.08654012 0.08083650 Cu 12.51047398 5.36815261 0.02341097 -0.22041180 -0.13683118 0.12354050 Cu 12.48203144 3.53867402 1.76104736 -0.03565778 0.09967936 0.13615481 Cu 10.71656718 5.35459292 1.75861165 0.33783096 -0.15775256 -0.15777668 Cu 0.02786868 7.19210108 0.00145483 0.27828301 -0.09347038 0.19492500 Cu 1.79776873 8.95822963 0.04169572 -0.16633909 -0.05939092 -0.10386754 Cu 1.80035020 7.12129619 1.79558317 -0.35951029 0.09919582 -0.45904359 Cu 0.01383428 8.90962550 1.74330154 0.08355432 0.12320598 0.08386891 Cu 3.56458686 7.16258751 0.01599971 -0.06512975 -0.14105347 -0.05723732 Cu 5.32021622 8.94566389 0.02968846 0.23780682 -0.05187546 -0.25489954 Cu 5.37779769 7.14306713 1.78933115 -0.21456956 -0.04869367 -0.40220518 Cu 3.58221092 8.94677631 1.71769992 -0.12321253 -0.20375447 0.23013737 Cu 7.12414019 7.17503210 0.02429791 0.07987609 -0.05538609 -0.07790655 Cu 8.93842593 8.92735541 0.01312826 0.16814993 -0.04665958 -0.00105251 Cu 8.94196285 7.10840378 1.81678040 -0.02803251 0.18599014 -0.50517189 Cu 7.15908543 8.90663967 1.79161041 -0.06449308 0.07861543 -0.46419777 Cu 10.69988790 7.11662579 0.01265257 0.15497943 0.10301883 0.06644654 Cu 12.45366217 8.94864161 0.02751243 -0.16362965 -0.12014531 0.18281485 Cu 12.48443617 7.11093528 1.75133383 -0.09767151 0.22638277 0.00997697 Cu 10.71079188 8.92601398 1.79843015 0.13094017 -0.08512163 -0.30208089 Cu 0.03305785 10.71242865 0.01413180 0.26426597 -0.05411298 0.27756695 Cu 1.75232328 12.50133535 0.01278559 0.17600523 -0.35176677 0.28206717 Cu 1.80610036 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0.02511832 0.02481054 3.54547533 0.26626215 0.26327303 -0.12480546 Cu 1.81024722 1.81509512 3.53310149 -0.47342918 -0.53423511 0.13686884 Cu 1.78706734 0.00862663 5.37648540 -0.05782897 0.11369344 -0.01458278 Cu 0.02159668 1.76420501 5.33093781 0.07209185 -0.09376262 0.11690817 Cu 3.57434285 0.00176730 3.57314809 -0.05573065 -0.02856566 0.00060100 Cu 5.37804578 1.80111904 3.57219088 -0.15398713 -0.54318979 -0.11469520 Cu 5.35766957 0.01944256 5.36834677 -0.01352915 -0.02998438 -0.15840876 Cu 3.59038171 1.79292372 5.33311570 -0.29656025 -0.53482502 0.10730067 Cu 7.15938392 0.03198124 3.57051831 -0.19429420 -0.13487093 -0.10503317 Cu 8.90973639 1.76406704 3.57705686 0.11131819 -0.06306151 -0.22673482 Cu 8.90794630 0.01855104 5.31501234 0.11810035 -0.14562610 0.10467389 Cu 7.17016550 1.79239371 5.33021386 -0.25111366 -0.34010946 0.20847750 Cu 10.72858666 0.05553006 3.51097624 -0.09413370 -0.14630004 0.17562802 Cu 12.48254321 1.73166905 3.61588197 0.02390793 0.16200282 -0.13732770 Cu 12.49901053 0.01088353 5.35854140 -0.26062294 0.06618606 -0.09202634 Cu 10.69729016 1.76447500 5.33400384 0.20604849 -0.11157647 0.07466557 Cu 0.02346072 3.53905450 3.57598648 -0.13250293 0.09677484 -0.06973679 Cu 1.76421813 5.36283802 3.56553815 -0.35838619 -0.09835835 0.00829063 Cu 1.76553080 3.57326956 5.33618137 -0.23017450 -0.08680268 0.11501458 Cu 0.01802973 5.35619222 5.37493342 -0.05916297 0.04874000 -0.03242756 Cu 3.53602556 3.56647041 3.57314381 0.15355652 0.05257464 -0.13638099 Cu 5.31997690 5.34468197 3.57973626 0.15889955 0.06712997 -0.07595389 Cu 5.32869406 3.51845555 5.33097968 0.13926273 0.35812471 0.24976122 Cu 3.55242581 5.38075701 5.33709885 0.14319009 -0.28355129 0.09072151 Cu 7.12365673 3.58748296 3.59622259 0.09595536 -0.01931107 -0.21124167 Cu 8.94473466 5.32632916 3.54054426 -0.13638889 0.26601139 0.21287723 Cu 8.88614840 3.59108914 5.36424679 0.19523964 -0.13542927 -0.10993015 Cu 7.10360399 5.40277275 5.33117826 0.22131748 -0.28784979 0.08342922 Cu 10.69163732 3.57202747 3.57820251 0.47859155 -0.15491800 -0.10306593 Cu 12.45480767 5.37624530 3.59482081 0.13364937 -0.13549089 -0.23473628 Cu 12.46341948 3.58821679 5.34225772 0.06705565 -0.15754687 0.08751697 Cu 10.67241958 5.32716313 5.33375238 0.50350125 0.17870155 0.14320781 Cu 0.00643672 7.14472527 3.54315468 -0.04507215 0.05283404 0.03983089 Cu 1.77135622 8.91464549 3.55245254 -0.28592707 -0.07115742 0.03045418 Cu 1.81162894 7.11229718 5.32985892 -0.54726739 0.26233881 0.15793183 Cu 0.00578100 8.93972751 5.34857547 -0.04032490 -0.11558702 0.05294009 Cu 3.54638863 7.11980124 3.54377630 0.19631057 0.30230336 0.11461908 Cu 5.36387186 8.88767500 3.57210050 -0.18938083 0.26432964 -0.04364833 Cu 5.38352218 7.16534394 5.38491920 -0.38567464 -0.03400915 -0.21787747 Cu 3.59233837 8.94203104 5.37898052 -0.22954785 -0.24512188 -0.22657507 Cu 7.10477275 7.13605109 3.54357309 0.30952195 -0.03620632 0.20095346 Cu 8.89499982 8.93424883 3.58479834 0.11703552 -0.14797243 -0.07896295 Cu 8.93248939 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10.74404500 8.97253313 -0.10820501 -0.06663352 -0.02197003 Cu 10.76241161 12.48636370 8.91613675 -0.06976340 -0.08857161 0.07563678 Cu 0.01113099 0.02568734 10.72595011 0.37016319 0.28750878 -0.12669174 Cu 1.79541279 1.78551991 10.69889418 -0.22571635 -0.12576988 0.20919310 Cu 1.79494152 0.02599089 12.49463038 0.04142439 0.28647572 -0.25612020 Cu 0.01522841 1.77131155 12.46133395 0.27158532 0.14228610 -0.22939844 Cu 3.52055508 0.04273059 10.69381114 0.06752594 -0.06437419 0.11288665 Cu 5.33376841 1.76904553 10.72567208 0.09693704 -0.14903621 0.19839516 Cu 5.31585340 0.02156373 12.51685670 0.02109946 0.13456429 -0.29557650 Cu 3.59491729 1.74188600 12.50939654 -0.19093183 0.12606957 -0.11333334 Cu 7.12942430 0.01099630 10.70773109 0.15556513 0.15475423 0.21999391 Cu 8.94539604 1.77749958 10.71980124 -0.25510765 -0.32163650 0.21086860 Cu 8.95391893 0.02328273 12.51181210 -0.10981810 0.17280269 -0.19012602 Cu 7.11402535 1.80974556 12.52394371 0.04689512 -0.20904298 -0.17077123 Cu 10.70146613 0.00427034 10.73095413 0.18645054 0.22674468 0.11369777 Cu 12.48168354 1.80578119 10.67095428 -0.20365756 -0.22261961 0.40562861 Cu 12.51714713 0.01474114 12.51204778 -0.46290621 0.41921161 -0.47752391 Cu 10.68244452 1.75190396 12.49012880 0.33058014 0.08972256 -0.19121722 Cu 0.01562706 3.54475126 10.67159174 0.07716740 -0.02122820 0.08208981 Cu 1.80152694 5.37502625 10.69097774 -0.36776955 -0.31467361 0.35634815 Cu 1.77262048 3.56913592 12.46965953 -0.00685774 -0.19541195 -0.08887915 Cu 0.03310379 5.30882558 12.48384098 0.25257934 0.04898602 -0.24973603 Cu 3.59512239 3.59335995 10.73955286 -0.21524830 -0.21860181 0.19640354 Cu 5.33193366 5.36632198 10.73695920 0.08153216 -0.09237718 0.08999265 Cu 5.34756590 3.56995278 12.47503096 0.03052843 0.05148993 0.11009991 Cu 3.52275999 5.36903410 12.51282852 0.06424461 -0.09323230 0.03965312 Cu 7.15472489 3.56620159 10.69314551 -0.18821140 -0.06039184 0.32465322 Cu 8.94317576 5.31948288 10.72828853 -0.06521536 0.16931636 0.12705572 Cu 8.89829268 3.58040131 12.46348129 0.06483003 -0.14905471 0.19196910 Cu 7.13560675 5.36503974 12.51786931 0.02043555 -0.13176932 -0.08252175 Cu 10.69421551 3.53818001 10.73319051 0.36862899 0.11254215 0.19793913 Cu 12.49209267 5.37548397 10.67494568 -0.15316544 -0.04425095 0.17146153 Cu 12.49622092 3.59773382 12.52349421 -0.21897553 -0.13812934 -0.35095189 Cu 10.72983820 5.32214943 12.47989518 0.07901564 0.20520802 -0.07506464 Cu 0.03635051 7.11659688 10.70102545 0.00132551 0.09286647 0.25208090 Cu 1.77010725 8.93858871 10.70705088 -0.13722485 -0.06175617 0.36615756 Cu 1.80303373 7.12761212 12.47508695 -0.28243988 0.13837880 -0.03608572 Cu 0.00837587 8.91200055 12.51549804 0.24201865 -0.00587721 -0.26347188 Cu 3.53672022 7.12358696 10.73108674 0.28203347 0.16110016 0.16849531 Cu 5.34126374 8.94021404 10.71562107 0.21307923 -0.24983753 0.19838586 Cu 5.36782903 7.10363161 12.48873498 -0.14722076 0.17861672 0.11819848 Cu 3.60242571 8.94978001 12.47481735 -0.22055652 -0.13141097 0.06664516 Cu 7.10250052 7.12181037 10.73815664 0.26811730 0.12804935 0.07693634 Cu 8.90542287 8.94795370 10.72594358 0.06634915 -0.22186174 0.15874607 Cu 8.89743590 7.13618714 12.46549336 0.15317520 -0.13683295 0.06454004 Cu 7.15968700 8.89870063 12.51011518 -0.09137734 0.11304254 -0.00232312 Cu 10.67370848 7.10591151 10.68097927 0.42033462 0.14342004 0.35957743 Cu 12.47803318 8.94641642 10.75131874 -0.13966351 -0.04033270 -0.12572810 Cu 12.50892009 7.16417834 12.46200058 -0.27297909 -0.07322186 -0.21578355 Cu 10.68812011 8.90299726 12.46758997 0.12794241 0.06226134 -0.06442938 Cu 0.02821560 10.68657246 10.73090994 0.16483568 0.25196830 -0.00830444 Cu 1.80114283 12.52047654 10.70347688 -0.12338570 -0.33169995 0.08004163 Cu 1.75594719 10.72472922 12.48120072 0.09676546 0.10689166 -0.22051300 Cu 0.02175941 12.49724939 12.48352665 0.31387176 -0.32398171 -0.40439278 Cu 3.59166268 10.68397497 10.69492751 -0.23707653 0.54531820 0.27322048 Cu 5.37627975 12.49670571 10.68340561 -0.03838500 -0.14991014 0.12191740 Cu 5.35969466 10.67399155 12.45600712 0.12118788 0.37068155 0.01151225 Cu 3.60603581 12.51252696 12.45841947 -0.03581840 -0.34230682 -0.24386001 Cu 7.15851418 10.72901701 10.72307515 -0.14457128 0.18176852 0.23746974 Cu 8.92859471 12.46128907 10.71119852 0.00772976 0.07835746 0.00430413 Cu 8.95030592 10.72357639 12.44968794 -0.13376162 -0.00930771 0.11016546 Cu 7.16881028 12.49529986 12.52039775 -0.01956452 -0.24549985 -0.25439615 Cu 10.68028753 10.70723861 10.70957108 0.47561890 0.19316167 0.17044370 Cu 12.51553446 12.48099930 10.75201328 -0.35065731 -0.32542220 0.05724699 Cu 12.50031089 10.68845290 12.49830318 -0.37928242 -0.02290939 -0.30312465 Cu 10.67990084 12.45894186 12.48776625 0.06784120 -0.22729837 -0.27925429