256 Lattice="14.851993344726523 0.0 0.0 0.0 14.851993344726523 0.0 0.0 0.0 14.851993344726523" Properties=species:S:1:pos:R:3:forces:R:3 energy=-615.9355882841488 stress="-0.004166190815701056 -8.056193391585339e-05 -0.00011234490234223866 -8.056193391585339e-05 -0.003991920453615482 8.997221346550215e-05 -0.00011234490234223866 8.997221346550215e-05 -0.004169149406243628" free_energy=-615.9355882841488 pbc="F F F" Cu 0.01085957 0.01424179 0.02581604 -0.29788681 -0.36342600 -0.32922498 Cu 1.82414756 1.88490153 0.03698379 0.66401170 0.43683880 -0.84685373 Cu 1.86248796 0.02151659 1.87421372 0.48102571 -0.79550229 0.50829633 Cu 0.01089351 1.86370770 1.85140916 -0.75629436 0.62158820 0.65783547 Cu 3.67512770 0.02975349 0.00139574 0.17508121 -0.53860035 -0.42548226 Cu 5.54407274 1.85626705 0.01093565 0.33141724 0.53114696 -0.55576703 Cu 5.60325328 0.02755237 1.88923906 -0.24787324 -0.49716216 0.24870574 Cu 3.68434240 1.85082444 1.83354367 0.37432551 0.86184857 1.17982172 Cu 7.42529935 0.00104648 0.01679527 0.01347133 -0.39013546 -0.38807206 Cu 9.28475221 1.84309952 0.01784378 -0.17238948 0.52839902 -0.62217194 Cu 9.29199184 0.00712595 1.88799208 -0.09524312 -0.50752646 0.36426035 Cu 7.42885555 1.88399292 1.84709690 -0.09743803 0.51034883 0.62089273 Cu 11.15033680 0.03180175 0.01535328 -0.63716279 -0.82161946 -0.70520777 Cu 12.96960778 1.82833375 0.02357691 0.80834714 0.76971623 -0.72232378 Cu 12.97602542 0.01285410 1.82983034 0.65274827 -0.77470950 0.62160150 Cu 11.15631063 1.85433081 1.82221466 -0.99424982 0.63789718 1.21479429 Cu 0.03274928 3.71820138 0.00004031 -0.59495776 0.09937301 -0.48717826 Cu 1.89329538 5.53536967 0.03142411 0.50235502 0.20845206 -0.80117305 Cu 1.85266780 3.74761557 1.89113133 0.70451114 -0.22997317 0.67991476 Cu 0.02136133 5.57818881 1.82363168 -0.65564739 -0.18394583 0.94135228 Cu 3.72584785 3.69617629 0.02166012 -0.15897659 0.10183523 -0.49350854 Cu 5.55346506 5.53248926 0.02189183 0.23287030 0.16962085 -0.60535377 Cu 5.57255474 3.74307738 1.83491952 -0.24417577 -0.42104453 1.07832757 Cu 3.70912767 5.60519653 1.84698258 0.22276363 -0.40293060 0.91345346 Cu 7.46821739 3.74784074 0.03322602 -0.12755208 -0.12451712 -0.59469927 Cu 9.29845011 5.59698075 0.02377203 0.08664059 -0.18306498 -0.43180872 Cu 9.30897688 3.71142058 1.86434696 -0.19012427 0.20249719 0.63355580 Cu 7.40837277 5.55101375 1.89112815 0.11091450 0.18529875 0.58411114 Cu 11.12213328 3.69971354 0.03307194 -0.46466734 0.20705794 -0.67037487 Cu 12.96261863 5.52720193 0.03684017 0.44431549 0.07292350 -0.57033089 Cu 12.97205607 3.71989183 1.89230746 0.71416064 -0.02106240 0.23899495 Cu 11.13716995 5.60580747 1.88901984 -0.80698437 -0.15775154 0.47114279 Cu 0.03675662 7.39924606 0.02831834 -0.38527535 0.15559681 -0.61973659 Cu 1.88178951 9.29987053 0.01763748 0.68853101 -0.31713446 -0.67526622 Cu 1.88286525 7.42596730 1.85375217 0.56780320 0.21521728 0.59647469 Cu 0.02581489 9.30789856 1.82230999 -0.63589745 -0.39680434 0.84359026 Cu 3.76863098 7.39810117 0.00781214 -0.37566672 0.22659688 -0.67017783 Cu 5.55767143 9.29294458 0.01507015 0.34786492 -0.14672699 -0.62612751 Cu 5.54948455 7.44414867 1.83110464 0.17952686 -0.18790303 1.07108078 Cu 3.74357616 9.30272292 1.83550647 -0.09247153 -0.25044883 1.17284219 Cu 7.44192864 7.37458019 0.03471336 -0.29612052 0.22948034 -0.50599302 Cu 9.23373641 9.31144573 0.03141162 -0.04890258 -0.18370706 -0.44749872 Cu 9.27507729 7.40915018 1.86140051 -0.09417449 0.14753334 0.89925010 Cu 7.40219410 9.25195438 1.88397576 0.15967864 0.17029046 0.25674996 Cu 11.15106994 7.45319031 0.03012514 -0.72374510 -0.12482848 -0.75558251 Cu 12.98045968 9.27170080 0.03631259 0.53576588 0.05609888 -0.61118384 Cu 12.99890304 7.40749753 1.82982447 0.70771759 0.07262778 0.73653272 Cu 11.11356320 9.26353516 1.85812330 -0.69751738 0.22042694 0.71495120 Cu 0.03521152 11.11080197 0.00366094 -0.63668290 -0.20291110 -0.62033398 Cu 1.82231604 12.98948462 0.03663762 0.78641659 0.53145353 -0.61989270 Cu 1.88055120 11.14568976 1.86645643 0.50555481 -0.52357260 0.72661154 Cu 0.01435007 13.01377428 1.82969806 -0.54695473 0.38701949 0.67807809 Cu 3.74518764 11.14882394 0.03040907 -0.09590376 -0.32013310 -0.67355477 Cu 5.55720147 13.01049486 0.03261379 -0.08553293 0.54407090 -0.54047915 Cu 5.59696651 11.12527568 1.88399802 -0.30122242 -0.70153571 0.60124111 Cu 3.74917626 12.98134259 1.88838837 -0.24108644 0.69905087 0.21777223 Cu 7.37581732 11.17521426 0.01959123 0.18180893 -0.82596170 -0.65680519 Cu 9.24578864 13.01329844 0.01654712 0.07279238 0.38797107 -0.44680923 Cu 9.25970063 11.16515527 1.86554275 0.10547182 -0.80730425 0.64165414 Cu 7.39026780 12.97280023 1.84289221 0.27579222 0.86891190 0.78143408 Cu 11.12406733 11.13673390 0.01522867 -0.46769668 -0.43541018 -0.66109042 Cu 13.01827844 12.98978650 0.01589252 0.30621400 0.24644483 -0.37182786 Cu 13.01897809 11.11876313 1.83260271 0.50233134 -0.28098341 0.69945954 Cu 11.16686783 13.00861360 1.82404147 -0.65699718 0.49522056 0.70827027 Cu 0.02672923 0.02566503 3.70797496 -0.57402407 -0.45404392 0.17423687 Cu 1.84811537 1.85588588 3.74026690 0.80086922 0.56241820 -0.21771447 Cu 1.84462022 0.01591174 5.59555189 0.86596991 -0.67853692 -0.23560140 Cu 0.03184977 1.88474314 5.60132445 -0.85878047 0.25944626 -0.18365555 Cu 3.75496128 0.01133383 3.71291284 -0.32527626 -0.35529152 0.05367365 Cu 5.58885526 1.87688217 3.74861468 -0.15778963 0.88661329 -0.25347598 Cu 5.54394198 0.03097703 5.54953907 0.23165091 -0.47060120 0.20464670 Cu 3.69784694 1.89230812 5.55546276 0.44435193 0.41028573 0.30459623 Cu 7.42920280 0.00182523 3.70988284 0.03548539 -0.35913981 0.22594925 Cu 9.24658093 1.88920894 3.70564820 0.42015313 0.52660952 0.18456350 Cu 9.32377413 0.00865501 5.53767421 -0.29539249 -0.36399766 0.35820897 Cu 7.44605937 1.84782905 5.60038415 -0.06581103 0.77730329 0.02199985 Cu 11.13701997 0.00220478 3.71917473 -0.55179859 -0.42827746 -0.20521097 Cu 12.97263153 1.84351776 3.67917792 0.58662564 0.64845918 0.16575307 Cu 12.96384482 0.03560001 5.52795029 0.52829502 -0.51931385 0.25599719 Cu 11.14380745 1.87627440 5.57160093 -0.68033761 0.66546307 -0.11465481 Cu 0.00037871 3.68100840 3.76286119 -0.37007216 0.51770009 -0.19653517 Cu 1.88982240 5.59476138 3.69088435 0.34029133 -0.33818793 0.34282161 Cu 1.88467579 3.68645015 5.57443478 0.42108582 0.65205687 -0.04794765 Cu 0.03691899 5.59101973 5.59624839 -0.35118714 -0.20372209 -0.19540089 Cu 3.68318130 3.69888289 3.73325390 0.51721204 0.16530501 -0.32094988 Cu 5.54385454 5.54562917 3.68548186 0.18726669 0.21016065 0.37717304 Cu 5.61344739 3.75139584 5.58691193 -0.26383803 -0.27387694 0.04587307 Cu 3.71539385 5.54752830 5.56098412 0.32744383 0.31420262 0.14623135 Cu 7.42816325 3.68228616 3.70197715 -0.06831029 0.38837364 0.33493224 Cu 9.24603894 5.55039624 3.71257213 0.21482230 0.30453122 0.39380551 Cu 9.29645730 3.72309821 5.60573870 -0.23920405 0.05839731 -0.45905527 Cu 7.44520022 5.55341492 5.59361993 -0.20741232 0.32272192 -0.53562651 Cu 11.14175848 3.73826677 3.68046800 -0.92874860 -0.18178742 0.48799556 Cu 12.98144739 5.56952148 3.70482842 0.55307901 0.23057588 0.16439260 Cu 12.99943351 3.72427065 5.53877535 0.49249901 -0.18660737 0.17799438 Cu 11.17411264 5.54609617 5.60264105 -1.15026283 0.22941694 -0.59225205 Cu 0.00846155 7.38346328 3.73680565 -0.44017382 0.34544542 -0.15080715 Cu 1.84348140 9.26284169 3.70039732 0.88993032 0.07024780 0.22835186 Cu 1.89292447 7.40963254 5.55607003 0.50150947 0.28035332 0.20122845 Cu 0.01814237 9.30773279 5.59967685 -0.54070664 -0.47883766 -0.26403296 Cu 3.70963956 7.42318577 3.71330709 0.40569693 0.26485194 0.02994335 Cu 5.60264446 9.29223540 3.74594311 -0.63871876 -0.07526500 -0.24252101 Cu 5.58293956 7.44834517 5.54351339 -0.07812961 -0.50996535 0.38474449 Cu 3.74073082 9.26586404 5.59063592 -0.23538866 0.20749699 -0.20028894 Cu 7.39613942 7.45239890 3.68569458 0.25670557 -0.48424337 0.53685594 Cu 9.24924196 9.29755864 3.71701838 0.15501049 -0.22101699 0.22980823 Cu 9.31130414 7.43522039 5.59396824 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3.69837224 13.00114911 -0.12817822 0.33141738 0.22043426 Cu 7.38575388 5.60452014 12.99030469 0.31589794 -0.39532855 0.42488826 Cu 11.15789915 3.73622427 11.12450305 -0.95461867 -0.18548128 -0.29160815 Cu 13.00600389 5.54270490 11.10934027 0.58748695 0.27401319 -0.23898927 Cu 13.03038003 3.68030691 12.96991053 0.33484184 0.08653846 0.31216221 Cu 11.15548934 5.59908643 13.02906169 -0.37774661 -0.17467687 0.36098936 Cu 0.02271910 7.40989181 11.12569141 -0.59248037 0.24763770 -0.35264723 Cu 1.87680725 9.26546164 11.14688143 0.52619723 0.35888102 -0.60219530 Cu 1.86911832 7.44980998 13.02175496 0.39003955 -0.04377491 0.65046129 Cu 0.01023969 9.26591466 13.02502310 -0.38448906 0.05306157 0.21426041 Cu 3.67727919 7.43536092 11.16775741 0.38537296 -0.33096914 -1.00859439 Cu 5.54716794 9.25851448 11.10347985 0.53342731 0.23383266 -0.09808392 Cu 5.58530574 7.40944459 12.96857037 -0.17922879 0.21488858 0.40415319 Cu 3.72901136 9.26724384 13.00528890 0.17260057 0.19872869 0.45181013 Cu 7.45164626 7.41627629 11.11788102 -0.20162685 0.21649102 -0.92192075 Cu 9.29275204 9.29603302 11.12605058 -0.35577838 -0.22640297 -0.51866599 Cu 9.25290677 7.41070432 12.96306949 0.26155378 0.06512948 0.59202785 Cu 7.45432514 9.23467945 12.99909408 -0.34779186 0.30493332 0.24390416 Cu 11.13967012 7.43485924 11.11203087 -0.59244732 -0.15518982 -0.34223993 Cu 13.02501157 9.24457360 11.17136176 0.49517320 0.47264362 -0.60008357 Cu 13.01273129 7.44670521 12.96832714 0.39659335 -0.25945245 0.48782183 Cu 11.11861154 9.26217276 12.97609345 -0.42223179 0.07702512 0.56439072 Cu 0.01818442 11.16797308 11.15352285 -0.69205584 -0.87750701 -0.29350189 Cu 1.84019707 12.95965677 11.10276687 0.78194478 0.84931743 -0.21600160 Cu 1.86304640 11.15784471 13.02503658 0.44754981 -0.60065057 0.54468033 Cu 0.00685228 13.03252870 13.01275820 -0.18328225 0.23502087 0.20241052 Cu 3.73047123 11.16180768 11.16305262 -0.11125255 -0.94107144 -0.87515003 Cu 5.58717655 13.00293092 11.11909612 0.04688818 0.66586565 -0.45949173 Cu 5.58288776 11.17497350 12.98329775 0.16830156 -0.91825710 0.50431654 Cu 3.73389161 12.99520020 12.97713737 -0.10303865 0.59977449 0.42834875 Cu 7.46258003 11.16500025 11.16333820 -0.45565932 -1.17934136 -0.82761027 Cu 9.27343895 13.03163850 11.15706741 0.28314470 0.46000133 -0.64848884 Cu 9.27436804 11.13948685 12.97023165 0.24268200 -0.55731023 0.62451293 Cu 7.46249927 12.99238927 12.96446838 -0.21529087 0.63684254 0.67903650 Cu 11.17231913 11.12873077 11.10271359 -0.76149652 -0.39427815 -0.24159685 Cu 12.97460621 13.01618042 11.16114998 0.56690222 0.42078554 -0.58590302 Cu 12.98821383 11.16443436 13.01343018 0.55185261 -0.71364895 0.40530475 Cu 11.17579757 12.95975544 13.02862813 -0.73147619 0.54959450 0.42486671