500 Lattice="17.848438054746637 0.0 0.0 0.0 17.848438054746637 0.0 0.0 0.0 17.848438054746637" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1620.3253378586794 stress="-0.005408682093615936 -0.0004229222001798347 -5.3254680619273617e-05 -0.0004229222001798347 -0.005456038895293494 0.00032203564018709775 -5.3254680619273617e-05 0.00032203564018709775 -0.005534828276139123" free_energy=-1620.3253378586794 pbc="F F F" Cu 0.02976625 0.00341182 0.02090971 0.40561561 0.46521979 0.42159144 Cu 1.81424105 1.76553695 0.02271369 -0.24118664 0.13985952 -0.28582078 Cu 1.80101531 0.00123566 1.73888669 -0.22313558 -0.19648280 0.20389406 Cu 0.04818012 1.80332033 1.80520990 -0.23480202 -0.28461685 -0.20223530 Cu 3.59515547 0.01097311 0.01108679 -0.04116481 -0.01452524 -0.07360016 Cu 5.32477751 1.81451847 0.01534531 0.28849290 -0.12032894 -0.33563555 Cu 5.34123774 0.00726856 1.75347685 0.14086492 -0.12975323 0.29034821 Cu 3.58880809 1.76544644 1.75391770 -0.14666628 0.36023180 0.43949875 Cu 7.10262771 0.03499164 0.01367297 0.12145381 0.22224439 0.20461538 Cu 8.95926455 1.75122492 0.00014356 -0.14752606 0.06761964 -0.02359568 Cu 8.94382183 0.01240524 1.80149576 -0.13736206 -0.12833547 -0.31047031 Cu 7.12312906 1.81398847 1.80556145 0.16707275 -0.28438092 -0.32330694 Cu 10.75619598 0.00762168 0.00078079 -0.13023040 0.09620859 0.18357891 Cu 12.47874155 1.77805599 0.01827754 0.29141422 0.12859406 -0.18767836 Cu 12.50559073 0.00645189 1.76550157 -0.03848490 -0.13895519 0.16308489 Cu 10.73708908 1.80932030 1.77711443 -0.17499588 -0.39076477 0.09640573 Cu 14.26759869 0.01295135 0.00040900 0.06802357 0.22954053 0.18384003 Cu 16.09186492 1.75103959 0.02694208 -0.30626620 0.13239111 0.16847940 Cu 16.06571451 0.01697673 1.75036550 -0.17992030 0.05513474 0.09682448 Cu 14.30977193 1.75528404 1.80540963 -0.25662724 0.27047229 -0.32254168 Cu 0.00888492 3.59274536 0.00526057 0.12969457 -0.15787338 0.14426412 Cu 1.75730794 5.34932143 0.00424438 0.08700742 0.14479089 -0.14785640 Cu 1.75772845 3.59721075 1.77044727 0.37736120 -0.30593181 0.09291015 Cu 0.02451735 5.34496446 1.80485579 -0.36718106 0.08917814 -0.18206593 Cu 3.59750247 3.58550077 0.02459543 -0.26579953 0.08450149 -0.21443310 Cu 5.39020311 5.34580435 0.03138968 -0.10172125 0.16433785 -0.18064925 Cu 5.37823851 3.57761664 1.75851579 -0.22263532 0.05859751 0.36112925 Cu 3.53994192 5.35453245 1.80253527 0.22518524 -0.02240220 -0.12853821 Cu 7.15929411 3.57405413 0.00294649 0.05167620 -0.16040690 -0.08604572 Cu 8.90636059 5.32524968 0.03146401 0.05897050 0.25442222 -0.13003635 Cu 8.95306086 3.54167582 1.80235204 -0.21176599 0.15422555 -0.06810706 Cu 7.14409888 5.37413489 1.81606287 0.23429430 -0.10577974 -0.24321511 Cu 10.72677100 3.56987808 0.02696500 -0.09718540 0.04488963 -0.37528792 Cu 12.52959651 5.35457890 0.00637151 -0.10070851 0.08671991 -0.06617779 Cu 12.45944801 3.57554423 1.80130927 0.62934913 0.00471715 -0.15177583 Cu 10.72040580 5.34222445 1.77129367 -0.07173386 0.28315821 0.21607518 Cu 14.30544734 3.58405328 0.02977767 -0.08647532 -0.23603482 -0.06495143 Cu 16.05580458 5.35214115 0.03530620 -0.14199381 0.01677541 0.07769619 Cu 16.04550779 3.55369654 1.80720004 0.15168068 0.06799388 0.01810493 Cu 14.28364700 5.37820104 1.79342752 -0.13237590 -0.16560418 0.11488059 Cu 0.01877592 7.16803020 0.01248046 0.12618416 -0.08941040 0.19796455 Cu 1.81913751 8.89132417 0.02445499 -0.17617945 0.17638010 -0.15094332 Cu 1.76576868 7.16376267 1.80493941 0.31196027 -0.10015051 -0.10252108 Cu 0.02011560 8.91344584 1.81773366 -0.25205511 0.15096496 -0.24912560 Cu 3.56547210 7.11236291 0.03407268 0.09941129 0.01346800 -0.06040699 Cu 5.30083039 8.94756309 0.02954326 0.14962582 -0.15365817 -0.24029141 Cu 5.38459530 7.13791038 1.81522215 -0.43880161 -0.08720038 -0.38590264 Cu 3.60300552 8.95639857 1.81558189 -0.32761670 -0.31315675 -0.19787916 Cu 7.11380164 7.18605303 0.00350530 0.10733992 -0.19202190 -0.08911828 Cu 8.88614756 8.95129044 0.01783385 0.15354234 -0.15679662 -0.19761475 Cu 8.94107548 7.15558321 1.79242409 -0.16582007 -0.18459758 -0.07746141 Cu 7.12036787 8.90654708 1.80511834 0.11172233 0.28280574 -0.10262784 Cu 10.71957379 7.14906184 0.00208563 -0.12000917 -0.19843533 -0.12434687 Cu 12.46288984 8.90824684 0.01722468 0.18890626 0.23188265 -0.19554657 Cu 12.50562839 7.16906339 1.81990869 -0.11967453 -0.33370592 -0.18425854 Cu 10.69102700 8.91306687 1.75212482 0.20335488 0.26619790 0.40799112 Cu 14.26756697 7.17345233 0.00353830 0.05540801 -0.10668466 -0.10559037 Cu 16.06754186 8.89402884 0.03128169 -0.24029480 0.17284655 0.17034951 Cu 16.04833070 7.12268131 1.76465400 0.09963151 0.17868598 0.18967880 Cu 14.24550355 8.94949468 1.79413759 0.32439527 -0.04958806 -0.07771355 Cu 0.00198768 10.72958827 0.01399876 0.20302726 -0.15405194 0.13997759 Cu 1.80299893 12.48871532 0.03048940 -0.13430502 0.14579240 -0.32908041 Cu 1.75750109 10.72205595 1.75642954 0.06110340 -0.09788630 0.32895694 Cu 0.00095430 12.51171398 1.75849651 -0.20686308 -0.19318464 0.18143165 Cu 3.53488523 10.71195923 0.01258265 0.11521410 -0.06301051 -0.21888532 Cu 5.33047501 12.46454389 0.00197147 0.07648057 0.14512959 -0.28925604 Cu 5.40418631 10.74096111 1.74963676 -0.22166128 -0.16540167 0.47369253 Cu 3.58355851 12.46648337 1.78028316 -0.17428442 0.19843938 0.27317989 Cu 7.12579618 10.68471690 0.01055131 0.16125892 0.17816892 -0.21133830 Cu 8.94085918 12.51702965 0.03020045 -0.17980095 -0.25601962 -0.33522505 Cu 8.92777129 10.70900396 1.80477232 -0.13820583 0.05293008 -0.14249030 Cu 7.14676292 12.52903829 1.76104160 -0.06866985 -0.21131739 0.24520814 Cu 10.69281933 10.69973643 0.02305670 0.11312617 0.13532640 -0.23853456 Cu 12.52726257 12.52419108 0.01342219 -0.25249578 -0.24026731 -0.17830462 Cu 12.48707095 10.74411727 1.79742177 -0.04266204 -0.28209930 -0.05586040 Cu 10.70235823 12.49336183 1.77296843 0.13613922 -0.10578004 0.19125196 Cu 14.27054715 10.74000083 0.01010022 0.08357352 -0.20227668 -0.09955336 Cu 16.09824496 12.46241736 0.02080235 -0.23740411 0.17033283 0.12178408 Cu 16.06228943 10.72501167 1.77036799 0.10424703 -0.21971228 0.10079747 Cu 14.31200301 12.52615423 1.78032279 -0.09025642 -0.04478016 0.15132131 Cu 0.01517938 14.25783406 0.02569498 0.18996764 0.17242340 0.16592877 Cu 1.74678415 16.05395292 0.01756783 0.09282275 -0.31155469 0.35156633 Cu 1.77614360 14.27007047 1.80324933 0.22010666 0.24155793 -0.14274394 Cu 0.00333155 16.08181637 1.81117014 0.27220188 -0.32896062 -0.08521302 Cu 3.57684493 14.26825220 0.03134050 -0.12197842 0.24635733 -0.16217103 Cu 5.38088208 16.06735193 0.03333827 -0.12884267 -0.14785121 0.08364672 Cu 5.32845239 14.28545326 1.77048919 0.08916372 -0.03978405 0.20503202 Cu 3.57899807 16.09546794 1.80908074 -0.10686756 -0.01899702 -0.10806243 Cu 7.11048130 14.25008296 0.01318703 0.11363464 0.25057515 -0.21646186 Cu 8.94501049 16.03342194 0.02816412 -0.12991766 -0.15822079 0.11506836 Cu 8.95358295 14.27303898 1.77271479 -0.39910045 0.18347179 0.15009080 Cu 7.11391565 16.05264874 1.79633109 0.22808495 0.00679456 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16.04758690 0.28274099 -0.05118125 0.21113123 Cu 10.68974842 0.00675347 14.29613517 0.15300901 -0.26064689 -0.29279625 Cu 12.46725352 1.77176236 14.30213416 0.14918761 0.23354972 -0.31437482 Cu 12.46567698 0.01768608 16.00251109 0.11134791 -0.06314429 0.14027262 Cu 10.70923714 1.78398129 16.03022285 -0.14288420 -0.03041132 0.38642264 Cu 14.26411907 0.02914082 14.27149228 0.32842362 -0.21471094 0.27292438 Cu 16.06673985 1.75537103 14.26294459 -0.02508685 0.19153598 0.43330672 Cu 16.07961521 0.01972543 16.08815498 -0.60268032 0.57697205 -0.60398125 Cu 14.25706108 1.78016444 16.08592118 0.37930433 -0.07412768 -0.06385159 Cu 0.03026150 3.56115740 14.26609538 -0.20316471 0.22689685 0.13893824 Cu 1.82012444 5.39409236 14.28355224 -0.28583122 -0.27515893 -0.19055578 Cu 1.76413343 3.56547025 16.05054343 0.05843092 0.11155845 0.21122517 Cu 0.03096274 5.38569487 16.04233496 0.08612203 -0.10240609 -0.18719194 Cu 3.54972925 3.59737524 14.31298239 0.20325386 -0.10285328 -0.41838711 Cu 5.35483092 5.37328585 14.30197520 0.08238506 -0.28892910 -0.28820304 Cu 5.37884845 3.56091332 16.05770645 -0.13306786 0.06509418 0.15015256 Cu 3.58888085 5.36498924 16.06057448 -0.09823447 -0.18465262 0.32321868 Cu 7.11550427 3.55079260 14.25343893 0.24015259 0.14111027 0.09440507 Cu 8.94784440 5.37826439 14.26619139 -0.05949912 -0.13493787 0.42001146 Cu 8.93961401 3.54610203 16.04635866 -0.05754258 0.14577328 -0.01457223 Cu 7.13449792 5.31886884 16.05860172 0.18498665 0.18329800 0.03442404 Cu 10.74151688 3.56694081 14.28194974 -0.09328472 0.13348142 -0.03218203 Cu 12.50646987 5.33843937 14.26910715 -0.05149396 0.08225691 0.03850099 Cu 12.47390312 3.53782279 16.08026232 0.15199610 0.15983757 0.17365844 Cu 10.76480238 5.36421012 16.09773841 -0.24214935 -0.09040598 -0.06061886 Cu 14.24560645 3.60044223 14.29039270 0.34580521 -0.34588694 0.07290888 Cu 16.04589648 5.34546771 14.26559435 0.11614005 0.09345896 0.18250756 Cu 16.05706441 3.59756463 16.07519587 -0.36733017 -0.10368199 -0.36275682 Cu 14.24557958 5.38265857 16.04131333 0.32071951 -0.12154005 0.21886927 Cu 0.03089516 7.14607665 14.24976153 -0.22840018 0.03038283 0.21876246 Cu 1.75484450 8.92117093 14.27383287 0.20858142 -0.16304560 0.27898513 Cu 1.80396236 7.10699615 16.08116396 -0.11789115 0.31638836 0.08208028 Cu 0.01140085 8.95415818 16.09270426 0.24874108 -0.23785020 -0.18565443 Cu 3.58100839 7.12895899 14.28377052 -0.21659998 0.22353462 -0.07666965 Cu 5.33140191 8.93226644 14.31222120 0.21854663 -0.18511433 -0.35140131 Cu 5.33233125 7.11972733 16.04413730 0.23497381 0.18713199 0.27858518 Cu 3.55048769 8.94026445 16.04093397 -0.01860907 -0.24061062 0.31224695 Cu 7.16308742 7.14258634 14.26205253 -0.09581155 0.09723410 0.16769316 Cu 8.95888777 8.93603070 14.30270903 -0.24390904 -0.14010624 -0.32249607 Cu 8.95543337 7.13605086 16.07256552 -0.17626975 -0.08463441 0.01962022 Cu 7.11252772 8.94093957 16.03106737 0.22417119 -0.13640158 0.21183210 Cu 10.76050921 7.13201618 14.26835541 -0.33749015 0.16892519 0.20632024 Cu 12.52041343 8.91780998 14.25662451 -0.27215546 0.30822007 0.08504459 Cu 12.51631480 7.12320834 16.07307059 -0.07287956 0.27500284 0.05846375 Cu 10.68947729 8.91146970 16.03381402 0.34491068 0.11370561 0.23574672 Cu 14.27920280 7.16303711 14.26116788 0.11341675 -0.19835286 0.15229105 Cu 16.05782095 8.94596494 14.24720628 0.24407533 -0.09146160 0.24236640 Cu 16.09061308 7.15109982 16.03806265 -0.36434309 -0.00117456 -0.30550352 Cu 14.27759233 8.94770065 16.05063861 0.13338379 -0.11053380 0.17683649 Cu 0.01669510 10.67584739 14.33295935 -0.24489934 0.27206930 -0.17676757 Cu 1.79079106 12.45920375 14.30349787 -0.15711950 0.34438761 -0.19269638 Cu 1.79841984 10.70445992 16.06769716 -0.17769019 0.01541407 0.32632662 Cu 0.01593638 12.49664658 16.09676631 0.27137082 0.02544620 -0.27208210 Cu 3.54727779 10.69701176 14.31362366 0.28018602 0.25603770 -0.37385154 Cu 5.38025128 12.52032780 14.28764686 -0.14201827 -0.30110370 -0.16087804 Cu 5.34409446 10.70194814 16.04036378 0.06692483 0.14425960 0.26091935 Cu 3.57188007 12.48000040 16.03846124 0.08551298 0.13953535 0.28615134 Cu 7.12724938 10.69777407 14.24449210 0.11848334 0.13938610 0.32568392 Cu 8.91711008 12.48074780 14.24507832 -0.20466102 0.18595149 0.23589258 Cu 8.93139549 10.72938533 16.03289401 -0.16095224 -0.12024259 0.25118310 Cu 7.13972008 12.47551040 16.07479879 0.06408663 0.05144961 0.01031906 Cu 10.69195526 10.73197684 14.27165939 0.30327921 -0.24693849 -0.13727684 Cu 12.48139765 12.49264554 14.25500084 0.12727386 0.07581204 0.15522678 Cu 12.47843155 10.74161423 16.08713728 0.02398637 -0.17668551 -0.06420755 Cu 10.68995584 12.47674660 16.04898059 0.10804991 0.13691363 0.14328582 Cu 14.30202481 10.70647013 14.31369991 -0.23955455 0.14643356 -0.26336223 Cu 16.04189144 12.50533838 14.25128641 0.30004973 -0.12793677 0.26255828 Cu 16.06358408 10.74943301 16.08424967 -0.13540213 -0.11405636 -0.25656470 Cu 14.29786488 12.48523612 16.06969701 -0.11891193 0.13502691 0.07730968 Cu 0.03262717 14.27113188 14.28330951 -0.19490294 0.01014311 0.24635447 Cu 1.76446286 16.04144604 14.24626809 0.10482417 0.30230358 0.51716475 Cu 1.81857048 14.28770094 16.05249815 -0.29184629 0.13869699 0.15911652 Cu 0.00658283 16.06977387 16.06702615 0.57097770 -0.57982744 -0.57540755 Cu 3.58009869 14.29934651 14.29787907 -0.14644884 -0.19591607 -0.08565747 Cu 5.32378158 16.07028004 14.25317539 0.24940453 0.13106596 0.40016141 Cu 5.37503745 14.27262427 16.04704564 -0.02560768 0.15922437 0.18806229 Cu 3.59374502 16.05900160 16.08641863 -0.05048367 -0.19631310 -0.28600669 Cu 7.17039701 14.30216530 14.28920852 -0.08118484 -0.12785701 0.07363143 Cu 8.94185870 16.07284914 14.27268528 -0.26889262 0.19734454 0.18255050 Cu 8.95442551 14.25701902 16.04180436 -0.32956576 0.15082852 0.29456210 Cu 7.11959521 16.06978447 16.09399221 0.07638779 -0.31897461 -0.39866178 Cu 10.67581113 14.32215101 14.31331737 0.31722496 -0.33198864 -0.26478862 Cu 12.47417551 16.05032867 14.26894737 0.16348803 0.12607630 0.34797124 Cu 12.47292332 14.25912566 16.09453376 0.15844309 0.13581128 -0.12449854 Cu 10.68729180 16.05741596 16.08478815 0.09009946 -0.12353468 -0.16045465 Cu 14.28264913 14.25114057 14.25477731 -0.12423193 0.22397955 0.50462091 Cu 16.04631904 16.03005234 14.27788078 -0.19855361 -0.19061784 0.07196967 Cu 16.06769786 14.26444632 16.03457311 -0.26520498 0.05999651 -0.18802385 Cu 14.30802244 16.06063466 16.08934781 -0.10331040 -0.47321826 -0.47301573