500 Lattice="17.91913991765062 0.0 0.0 0.0 17.91913991765062 0.0 0.0 0.0 17.91913991765062" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1559.6753769037773 stress="0.9341899449394977 2.1602878928653677 -1.209309714600566 2.1602878928653677 0.3960680694675318 0.6404517319985814 -1.209309714600566 0.6404517319985814 0.017877387067223083" pbc="F F F" Cu -0.00088632 0.03132194 0.00956096 0.36481921 0.35379948 0.41008133 Cu 1.79320537 1.76585670 -0.00485225 -0.03813950 0.11039044 0.13011385 Cu 1.75772543 0.00304245 1.82124449 0.13836012 0.09130828 -0.12615263 Cu -0.00292227 1.76627817 1.82088438 0.05926657 0.11879135 -0.16787168 Cu 3.58378838 0.03495951 0.00404149 -0.06220303 0.17023979 0.25333854 Cu 5.39546819 1.79421795 -0.02554043 -0.07441276 0.09904988 0.14632568 Cu 5.36460050 -0.01562506 1.76921596 0.08111275 -0.00469318 -0.01909192 Cu 3.60397595 1.75096299 1.82500263 -0.18185061 0.20583455 -0.34768319 Cu 7.14950792 0.00941910 0.01759190 0.10685616 0.18789038 0.21697251 Cu 8.94492007 1.82211696 -0.01820422 0.07126487 -0.11200883 0.02900273 Cu 8.99274462 0.00022974 1.78228485 -0.13286067 0.03563553 -0.00124590 Cu 7.19692434 1.78442009 1.76235519 -0.20199293 -0.11520931 0.05108182 Cu 10.73149943 -0.01398522 0.03383794 0.09995143 0.28320286 0.16450645 Cu 12.55381273 1.77940676 -0.02060514 0.09941156 -0.05131456 0.14045602 Cu 12.53175016 -0.01847517 1.82932746 0.10923827 0.13644605 -0.12033183 Cu 10.74485772 1.78558937 1.76580962 0.07394292 -0.11178110 -0.02198194 Cu 14.29911365 -0.02593088 -0.00052862 -0.03324769 0.32787104 0.40557835 Cu 16.10507713 1.74935895 0.00846141 -0.29597046 0.07762984 0.23523098 Cu 16.12315754 0.00665224 1.80363924 -0.29697946 0.26059183 0.06055924 Cu 14.36275325 1.79133860 1.79975701 -0.13877873 -0.18055412 -0.13701233 Cu -0.03114165 3.58841003 0.00836259 0.32544026 -0.19928137 0.30568561 Cu 1.75860219 5.36399821 -0.00023693 0.16099203 0.08840018 0.13094254 Cu 1.79267599 3.53231834 1.76059951 -0.13446996 0.14847059 0.00999318 Cu 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16.14560538 5.40585027 0.00845970 -0.28950775 -0.08532641 0.27022286 Cu 16.10434170 3.54183694 1.78929892 0.12719999 0.01504693 0.01041631 Cu 14.36880218 5.32921427 1.80698410 -0.09042367 0.16615973 -0.11790946 Cu 0.00268033 7.19184501 0.03494781 0.22622579 -0.00839096 0.14402762 Cu 1.82189052 8.99295256 0.02234406 -0.15253322 -0.19614505 -0.06041705 Cu 1.76400535 7.18647596 1.78671977 0.13249354 -0.19712728 -0.14621099 Cu 0.01482370 8.92463578 1.81564992 -0.09887195 0.09501721 -0.08237573 Cu 3.61376870 7.18891676 -0.03046569 -0.19600520 -0.22730074 0.17938845 Cu 5.35244929 8.93967978 -0.00831325 0.17982333 0.21016264 0.03828957 Cu 5.39927200 7.19771055 1.81771828 -0.18175217 -0.16375697 -0.44675152 Cu 3.57911396 8.97809363 1.77528635 -0.08765359 -0.02062832 -0.08573648 Cu 7.19233650 7.20258821 0.03309669 -0.06680891 -0.09890283 -0.07729432 Cu 8.93849487 8.97919765 0.01794304 0.15994323 -0.15129604 -0.15143042 Cu 9.00301003 7.13437382 1.82401163 -0.23278448 0.24810422 -0.45891129 Cu 7.19594553 9.00922522 1.78829142 -0.23097231 -0.17356846 -0.14090271 Cu 10.78325179 7.17142365 -0.02851459 -0.10757110 -0.15439011 0.08657276 Cu 12.55207630 8.93836585 0.03544608 0.13276973 0.09174833 -0.18091532 Cu 12.60050639 7.17731058 1.80830023 -0.19406973 -0.24710065 -0.15413163 Cu 10.76139426 8.92428487 1.75629445 -0.08447909 0.10132346 0.09045576 Cu 14.31551847 7.14870320 0.00688596 0.18046407 0.10903700 0.06873202 Cu 16.12040040 8.98423877 -0.01694633 -0.31633065 -0.08661254 0.35394869 Cu 16.14068169 7.15248051 1.77706749 -0.13939808 0.14542293 0.07572416 Cu 14.33849055 8.98712322 1.82234617 0.23839481 -0.10941760 -0.25795692 Cu 0.01389245 10.72624232 0.03483217 0.22342458 0.09185256 0.21340203 Cu 1.81478362 12.58692510 -0.03367679 -0.05889649 -0.18287189 0.12029458 Cu 1.74803137 10.78028370 1.79118063 0.16970598 -0.05871379 -0.17723211 Cu 0.02608927 12.58558714 1.78556553 -0.07559502 -0.06374081 0.08356897 Cu 3.55465777 10.72741707 -0.02597851 0.04738980 0.16185899 0.02799632 Cu 5.33634981 12.55224575 0.02893107 0.16411446 0.04088812 -0.12281283 Cu 5.35043687 10.78070576 1.81342737 0.10570790 -0.34570300 -0.32546604 Cu 3.59457897 12.51159228 1.79751392 -0.30098623 0.26838504 -0.10086819 Cu 7.16380034 10.77289238 0.00833297 -0.12829041 -0.04624714 -0.09192079 Cu 8.92603582 12.56634751 0.00201856 0.19080326 -0.03273326 -0.08280159 Cu 8.99310455 10.73532344 1.74922928 -0.10599175 0.18369143 0.06321053 Cu 7.14909408 12.53878102 1.79086504 0.12595566 0.14201482 -0.16533673 Cu 10.75920170 10.75342029 -0.00837085 0.08877208 0.07109072 -0.04795477 Cu 12.60255766 12.57038373 -0.00812651 -0.19541276 -0.13189423 0.15891412 Cu 12.51596471 10.72025232 1.82539393 0.19280565 0.22374017 -0.36961546 Cu 10.73006998 12.54376981 1.79194639 0.21333744 0.19412400 -0.36565228 Cu 14.33802861 10.74079147 0.01986720 -0.05916187 0.05858597 0.04093201 Cu 16.14845043 12.51607688 -0.00536002 -0.37961246 0.11922591 0.30179181 Cu 16.16130721 10.77977474 1.78072723 -0.06145547 -0.14472970 0.01615323 Cu 14.36093521 12.51784351 1.82582415 -0.10080887 0.15750544 -0.38958779 Cu 0.03161779 14.32836193 0.02068057 0.18532290 -0.05288777 0.13813113 Cu 1.80190469 16.10043053 0.01318053 0.10834606 -0.30179426 0.25739501 Cu 1.76539448 14.31933525 1.81272924 0.23828851 0.10943337 -0.09147767 Cu -0.00538462 16.09449873 1.76323583 0.26370996 -0.23860585 0.16008820 Cu 3.58257648 14.30173472 -0.01296743 -0.04729102 0.17449014 0.09015636 Cu 5.36917434 16.13436088 -0.02704879 0.08679843 -0.41343823 0.37676296 Cu 5.34444720 14.34695934 1.82496095 0.31347272 0.14053074 -0.38823250 Cu 3.59353118 16.09354997 1.76070646 -0.12920289 0.06270837 0.11963892 Cu 7.20205568 14.33498867 -0.02961011 -0.31120414 0.05631348 0.18650680 Cu 8.94121079 16.14861081 -0.01538357 0.11169019 -0.31026496 0.34993685 Cu 8.94369314 14.33339593 1.78154258 0.04984091 0.11822175 -0.06880276 Cu 7.20218692 16.14074082 1.80291740 -0.27548903 -0.15729778 -0.07728553 Cu 10.76882302 14.36885086 -0.03512950 -0.09593618 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