500 Lattice="17.9191416613018 0.0 0.0 0.0 17.9191416613018 0.0 0.0 0.0 17.9191416613018" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1560.012554569154 stress="-0.0031143738647705266 -2.9973789912696748e-05 0.00017692262019761103 -2.9973789912696748e-05 -0.003088207986628048 -0.00023872886243603625 0.00017692262019761103 -0.00023872886243603625 -0.0031512141088726156" pbc="F F F" Cu 0.03098329 0.02711962 0.02690020 0.36983487 0.32681155 0.36206935 Cu 1.80811744 1.78722672 0.03531792 -0.06843036 0.10759359 -0.08153677 Cu 1.79899700 0.03544282 1.80530839 0.03851090 -0.11481342 -0.03853281 Cu 0.02637131 1.77268872 1.80750349 -0.03974641 0.21116993 -0.06567924 Cu 3.55858149 0.00879672 0.02875009 0.05885809 0.25282510 0.24816874 Cu 5.41015478 1.80386960 0.03429127 -0.21249850 -0.11801309 -0.11940297 Cu 5.38855849 0.03244731 1.79693794 -0.04713502 -0.06810617 -0.03447133 Cu 3.57604134 1.80070183 1.80417191 0.04803591 -0.15077853 -0.15337088 Cu 7.20624639 0.00491817 0.03224238 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0.08400137 0.05993979 Cu 0.03125449 5.40225518 1.77747347 -0.10271222 -0.15911861 0.11168239 Cu 3.60746753 3.60594564 0.02758556 -0.11388789 -0.12678615 -0.15249134 Cu 5.34939203 5.39031100 0.00910144 0.05813922 -0.06287239 0.00562218 Cu 5.34574015 3.56366883 1.81568712 0.05691100 0.09313739 -0.29103314 Cu 3.55940265 5.40363047 1.78909839 0.02286014 -0.16306517 -0.13795105 Cu 7.13914959 3.56450326 0.03194829 0.05140433 0.17375312 -0.07405482 Cu 8.95238542 5.35223288 0.01687300 -0.03031367 0.08595729 -0.04680100 Cu 8.97629925 3.56936190 1.80950906 -0.15657179 0.09065274 -0.21617128 Cu 7.14010624 5.39069206 1.80035978 0.07048117 -0.17008038 -0.28761414 Cu 10.78261180 3.61874137 0.02789229 -0.05959049 -0.17331806 -0.08790005 Cu 12.54391490 5.36771627 0.00137075 -0.01089741 0.14488430 -0.05504630 Cu 12.56508420 3.61496420 1.80719716 -0.14320164 -0.22073456 -0.23997214 Cu 10.73415789 5.39831720 1.79646213 0.11129699 -0.12801884 -0.15069482 Cu 14.30027374 3.62400172 0.00114910 0.20795648 -0.19118106 0.10010006 Cu 16.15801958 5.38166413 0.03318161 -0.27494068 -0.05139551 0.26706625 Cu 16.15122076 3.61116439 1.83843626 -0.24699793 -0.28138210 -0.20226598 Cu 14.33032622 5.38771141 1.78292475 0.21537965 -0.10847234 -0.07373952 Cu 0.03581461 7.19872867 0.01578450 0.14399197 -0.03093410 0.15332997 Cu 1.82622513 8.92814702 0.03984811 -0.14099251 0.25116870 -0.12011118 Cu 1.77122551 7.14765626 1.81094405 0.06068386 0.13194018 -0.10142425 Cu 0.04800746 8.94531744 1.82651969 -0.13515363 0.06829083 -0.08670613 Cu 3.56058527 7.18205324 0.01830496 0.05497299 -0.13296512 -0.18842522 Cu 5.36520556 8.98931839 0.00171488 0.06054587 -0.16553350 -0.09369973 Cu 5.36134534 7.19986852 1.79892291 0.13796893 -0.15120834 -0.21527195 Cu 3.58262617 8.92574631 1.76628074 -0.10614683 0.19622025 0.14458275 Cu 7.13804397 7.13909672 0.01749746 0.06704755 0.13031814 -0.08567107 Cu 8.96019298 8.93084022 0.00609751 -0.10084605 0.12702245 -0.05223318 Cu 8.93234050 7.15609325 1.81966049 0.11968133 0.11858033 -0.41221957 Cu 7.18016849 8.95074728 1.82273874 0.04380157 0.05228838 -0.33891936 Cu 10.77878317 7.16783204 0.03333685 -0.09595977 -0.04128948 -0.09824487 Cu 12.58793573 8.94385770 0.03370889 -0.09245247 0.05526413 -0.07423952 Cu 12.54340761 7.15075308 1.81734055 -0.00046694 0.17828726 -0.26270096 Cu 10.72144745 8.98743579 1.75724512 0.20972752 -0.18422937 0.15147034 Cu 14.34169256 7.13342696 0.03217946 0.08012154 0.14306196 -0.00565365 Cu 16.15318037 8.97569229 0.00523440 -0.38126973 -0.08462191 0.38468558 Cu 16.14409871 7.13820432 1.83049544 -0.04378527 0.16278094 -0.11618184 Cu 14.34544192 8.96776279 1.80098558 0.19031402 -0.06684123 -0.11906948 Cu 0.01951029 10.77010413 0.02132951 0.24777869 -0.17971614 0.27864411 Cu 1.76039217 12.52231786 0.00587094 0.20896923 0.09504015 0.01519472 Cu 1.81085853 10.74974557 1.81649382 -0.20605687 -0.01679576 -0.27050959 Cu 0.00091206 12.52647289 1.79039822 0.06632781 0.12841680 0.11489184 Cu 3.59366300 10.77688692 0.02316143 -0.15039093 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0.01677827 -0.17095215 0.00992482 Cu 14.33066030 12.51996334 1.79053844 0.12273254 0.21112812 0.01951063 Cu 0.03136354 14.30286971 0.01953499 0.21671156 0.03854615 0.29509031 Cu 1.76775120 16.13666453 0.00631980 0.14993480 -0.31677622 0.35564819 Cu 1.78977987 14.33049135 1.77902814 -0.03135124 0.16213402 0.10970689 Cu 0.02257794 16.16017603 1.81877720 0.32323529 -0.41415388 0.05603747 Cu 3.55982447 14.34021640 0.00345112 -0.08840537 -0.08399292 0.04209167 Cu 5.35750629 16.10055650 0.00074813 0.05501457 -0.30884803 0.26304120 Cu 5.34158707 14.30263286 1.79639859 0.16941290 0.21296116 -0.20716834 Cu 3.59306740 16.14187307 1.80923734 -0.12055676 -0.12028523 -0.05938939 Cu 7.20349375 14.29152557 0.02739961 -0.13336015 0.16010774 -0.02830996 Cu 8.94417664 16.15585240 0.03110723 0.03469046 -0.33511334 0.28408167 Cu 9.00651827 14.30629523 1.80166426 -0.26544134 0.41815580 -0.06506692 Cu 7.13398546 16.09982743 1.76434918 0.21855135 -0.04691005 0.12039846 Cu 10.72616749 14.35232605 0.01957790 0.14759522 0.02207761 -0.04359629 Cu 12.51253660 16.13225388 0.02045227 0.13557202 -0.31259602 0.31785908 Cu 12.53828964 14.32584348 1.82200953 0.14279550 0.21557956 -0.39938600 Cu 10.74873372 16.14631812 1.81638105 0.01864773 -0.10735778 0.02281021 Cu 14.33917184 14.31908968 0.01592171 -0.14189990 0.08239681 0.08415872 Cu 16.10903599 16.09170917 0.00003798 -0.35749241 -0.37213067 0.39639417 Cu 16.11013365 14.30260226 1.76631604 -0.07990543 0.16387853 0.14416011 Cu 14.35811050 16.16294052 1.79434666 -0.13336641 -0.20475377 -0.13330766 Cu 0.02354805 0.01843727 3.55907680 0.18641673 0.19079452 0.13111830 Cu 1.78430961 1.75831091 3.58014355 -0.04939670 0.15972729 0.11078516 Cu 1.80944954 0.03093788 5.41157926 0.01727549 -0.09691990 -0.19710251 Cu 0.01879024 1.82790281 5.40387720 -0.09035478 -0.14914917 -0.22241884 Cu 3.61811547 0.03114316 3.56496429 -0.14979150 -0.08866398 0.05565811 Cu 5.40416249 1.81444308 3.58415443 -0.22308376 -0.19158750 -0.06016615 Cu 5.35429218 0.02839267 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5.37922835 -0.10011268 0.19055988 0.08172864 Cu 10.77722948 5.39874946 5.37408029 -0.04384741 -0.25609337 -0.10341467 Cu 14.29950425 3.60513698 3.58764156 0.53339107 -0.14719627 -0.02952600 Cu 16.13131360 5.34785825 3.54890788 -0.03871130 0.08809757 0.26502829 Cu 16.14680373 3.58284711 5.40815140 -0.09215333 -0.05235559 -0.21340271 Cu 14.31968499 5.38591700 5.40669448 0.21624521 -0.05592076 -0.16137844 Cu 0.01582250 7.13716575 3.60876276 -0.19455941 0.06023369 -0.10755968 Cu 1.79565107 8.93925218 3.59092355 -0.06702461 0.05064005 -0.17407766 Cu 1.79675204 7.18729662 5.35528094 -0.09834863 -0.09897903 0.16262360 Cu 0.02336617 8.92391958 5.38357473 -0.16857358 0.20944996 -0.07589499 Cu 3.61396677 7.12980315 3.59992603 -0.27090022 0.24349407 -0.20437172 Cu 5.36126274 8.93080750 3.57609841 0.14120863 0.25432431 0.01909186 Cu 5.38675586 7.18394835 5.35857006 0.11036337 -0.10706876 0.10706362 Cu 3.58188995 8.97513349 5.33836728 -0.01985257 -0.11377311 0.14109127 Cu 7.18829639 7.13234209 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10.74679577 3.60281638 0.13032804 0.09711606 -0.12186512 Cu 16.16256742 12.55132984 3.56112902 -0.18397256 0.12008390 0.14657845 Cu 16.12459644 10.72943545 5.41265197 0.17805994 0.13932415 -0.07095167 Cu 14.35696435 12.53982657 5.38461238 0.14887478 0.18304198 -0.10935399 Cu 0.00338981 14.32235170 3.59456714 0.10902619 0.07216891 -0.12537788 Cu 1.81409074 16.16092400 3.58908142 -0.09035361 -0.26463682 -0.04117918 Cu 1.79199637 14.30715202 5.38467125 -0.09619928 0.34707032 -0.16779612 Cu 0.02513904 16.12414214 5.39474430 0.22001068 -0.26819684 -0.10137088 Cu 3.60816596 14.30366700 3.59558382 -0.30205710 0.46659426 -0.20897853 Cu 5.40367457 16.10367674 3.53163715 -0.18369122 0.10911175 0.10865177 Cu 5.36778127 14.33854906 5.35553462 0.05850586 0.31540928 0.10541504 Cu 3.56273688 16.14705215 5.34777330 0.10807475 -0.11503064 0.06574258 Cu 7.17394508 14.34183914 3.57810352 -0.04485376 0.08019702 -0.19079801 Cu 8.98774190 16.13405109 3.61685079 -0.11810723 -0.09060530 -0.19414848 Cu 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10.74210640 0.02193528 14.31814113 -0.09034256 -0.15173721 0.05917681 Cu 12.51420464 1.79637163 14.30276818 0.15231390 -0.10173854 0.37010253 Cu 12.49506379 0.00133516 16.10796704 0.10932420 0.25191116 -0.26345479 Cu 10.75264649 1.77629943 16.14269189 0.10575926 0.15211927 -0.11002219 Cu 14.31067419 0.01399531 14.32138226 0.01294729 0.05460300 0.06426708 Cu 16.11662045 1.82357743 14.33527545 -0.10356756 -0.04920424 -0.10094074 Cu 16.11311744 0.03233662 16.10524722 -0.41736285 0.43168992 -0.44219160 Cu 14.29389544 1.80911253 16.07181885 0.06304003 -0.08235521 0.06996514 Cu 0.01556063 3.61201813 14.31709701 -0.15965732 -0.08177762 0.08340495 Cu 1.81870063 5.35617485 14.31643326 -0.12833907 0.22552001 0.23146006 Cu 1.76552815 3.56381840 16.09200752 0.12776383 0.13369764 0.08055940 Cu 0.02085462 5.40872150 16.13763278 0.23816886 -0.07895633 -0.29860700 Cu 3.57701173 3.55477606 14.33284053 0.03141876 0.12932562 0.23940650 Cu 5.39359328 5.36335525 14.31436870 -0.27221791 0.22008688 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0.17301040 0.11741824 Cu 0.00255490 7.17331453 14.33277204 0.05680191 -0.07673642 -0.02857304 Cu 1.80335434 8.95083167 14.34400976 -0.11062146 0.00179945 0.17139924 Cu 1.78392824 7.14136804 16.14401507 0.16745028 0.12595421 -0.18520775 Cu 0.01325826 8.97210007 16.11607530 0.29923155 -0.04176138 -0.21581120 Cu 3.62255793 7.19542234 14.30005640 -0.21792469 -0.13067828 0.50005937 Cu 5.41143092 8.97619979 14.32999282 -0.15791187 -0.01096636 0.07138579 Cu 5.36743801 7.19753397 16.16035411 0.02341451 -0.09252842 -0.08927986 Cu 3.56935621 8.99025313 16.13434878 0.05202622 -0.08073047 -0.05298914 Cu 7.13947452 7.13227454 14.34129293 0.14537838 0.08497082 0.07281744 Cu 8.94080308 8.98369416 14.32756837 0.13617163 -0.30607983 0.17146117 Cu 8.93817846 7.16627348 16.14015071 0.10435829 -0.06047123 -0.06151562 Cu 7.19159282 8.94087474 16.09978508 -0.08226480 0.13510680 0.13786463 Cu 10.73328469 7.16549738 14.32012062 0.08551045 -0.12442619 0.40336312 Cu 12.51699342 8.97943379 14.34050291 0.28141804 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16.12302181 0.12340814 0.19748035 0.12203853 Cu 7.19025515 10.78254218 14.33810807 -0.23850598 -0.03221063 0.08324483 Cu 8.96657573 12.55094091 14.33102446 -0.15225020 0.13252651 0.17174118 Cu 8.97764828 10.74020910 16.09518741 -0.08005825 0.02580604 0.16565331 Cu 7.13798225 12.50868487 16.13901158 0.17428761 0.33226323 0.00312829 Cu 10.78495219 10.74917796 14.34205191 -0.14657265 -0.00618608 0.04880799 Cu 12.57809637 12.55082006 14.34842659 -0.11812677 0.00860166 0.13282416 Cu 12.54211089 10.72382391 16.12325214 0.01033854 0.15869165 0.12240704 Cu 10.71839140 12.52281061 16.09261190 0.21037797 0.02494127 0.15010618 Cu 14.30809363 10.77053135 14.30212119 0.37016106 -0.23032052 0.43709800 Cu 16.11687311 12.55012467 14.36649056 -0.13814322 0.10058097 -0.11621080 Cu 16.14695173 10.72492813 16.12258549 -0.33174898 0.02504299 -0.32179976 Cu 14.32964433 12.51115187 16.15529295 0.06836053 0.17446204 -0.13443527 Cu 0.00897768 14.36183686 14.32074624 0.08044935 -0.14564928 0.06640205 Cu 1.79048717 16.11376901 14.30305526 0.09291480 -0.07496961 0.26656049 Cu 1.77724015 14.32187132 16.13221232 0.14742220 0.15133713 -0.11155675 Cu 0.00078036 16.09749354 16.09733250 0.38766916 -0.35415787 -0.39506038 Cu 3.57992210 14.30418331 14.30797010 -0.03827647 0.47348652 0.48302541 Cu 5.38623210 16.15519000 14.28870648 0.01558670 -0.13864919 0.19988788 Cu 5.36068364 14.38918735 16.13814446 0.03628214 -0.19194745 -0.14652075 Cu 3.60768216 16.13945028 16.13109718 -0.16364284 -0.32192501 -0.43762322 Cu 7.14747031 14.32323971 14.31380046 0.01507044 0.20425268 0.37914037 Cu 8.94506900 16.06648794 14.31764796 0.05096255 0.06599834 0.10079247 Cu 8.99017641 14.31084163 16.13027341 -0.14776845 0.04212634 -0.08612140 Cu 7.19496863 16.12738390 16.15907968 -0.01666813 -0.34305581 -0.41701885 Cu 10.79477127 14.30723026 14.31414201 -0.28155845 0.29478025 0.25387282 Cu 12.53242077 16.09602020 14.32045246 0.03701933 0.12036560 0.08290603 Cu 12.49930259 14.32350021 16.12376006 0.12143214 0.07879130 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