108 Lattice="10.604004785649126 0.0 0.0 0.0 10.604004785649126 0.0 0.0 0.0 10.604004785649126" Properties=species:S:1:pos:R:3:forces:R:3 energy=-379.9639078276775 stress="-0.0051363309980953075 -0.0005157521577298851 -0.00020422238833453732 -0.0005157521577298851 -0.00527803611097948 -0.0005418756742675743 -0.00020422238833453732 -0.0005418756742675743 -0.005370211841558509" free_energy=-379.9639078276775 pbc="F F F" Cu 0.02667153 0.03261411 0.00619675 0.28604789 0.25843693 0.28097182 Cu 1.75729896 1.78128875 0.03051074 -0.13487333 -0.24586235 0.04476012 Cu 1.76570063 0.00614062 1.75271845 -0.09744172 0.12667157 -0.11420561 Cu 0.00277802 1.77566272 1.76300914 0.12282977 -0.08267378 -0.07356228 Cu 3.53278233 0.02129722 0.00374727 -0.14504920 0.16642198 0.10592544 Cu 5.29856430 1.75626610 0.02087730 0.14553996 -0.11763727 -0.18036160 Cu 5.31417342 0.02003422 1.73967546 0.03327585 -0.08948882 0.01808157 Cu 3.55712745 1.77062903 1.74795003 -0.28078047 -0.47147066 -0.07988198 Cu 7.10175720 0.03313262 0.00443305 -0.16208533 0.17868223 0.17964884 Cu 8.83662436 1.73648198 0.01144519 -0.20991636 0.19627307 0.22047359 Cu 8.84106237 0.00818923 1.74169514 -0.25346281 0.22721075 0.22957331 Cu 7.06127298 1.75769671 1.78254727 0.40478099 -0.16042468 -0.23840053 Cu 0.02572559 3.57367271 0.01628521 0.16794680 0.03300170 0.11621412 Cu 1.79394590 5.35565213 0.03195862 -0.15400009 -0.20215873 -0.22424821 Cu 1.77201080 3.54663094 1.75021268 -0.37517248 -0.16776413 -0.16724081 Cu 0.00934858 5.32517472 1.76651930 -0.13209911 -0.05560757 -0.15552478 Cu 3.51965844 3.49742842 0.02726713 0.04011991 0.09968027 -0.34292100 Cu 5.30692721 5.28165255 0.00058859 -0.16302281 0.05203923 -0.14251349 Cu 5.29303852 3.50133384 1.77830308 0.07536102 0.08683366 -0.50709203 Cu 3.52598685 5.29173170 1.74600879 0.18680951 0.12045138 -0.37579731 Cu 7.04904259 3.52807701 0.02944177 0.34657017 -0.16437319 -0.11275176 Cu 8.85095295 5.34206575 0.03207087 -0.21824375 -0.03485468 0.02134921 Cu 8.85666834 3.54259450 1.75201228 -0.07577465 -0.10437944 -0.11939763 Cu 7.04085012 5.28713994 1.74293058 0.54398373 0.12199959 -0.24213360 Cu 0.02220643 7.04586673 0.00202359 0.15932740 0.08451483 0.17078833 Cu 1.80006869 8.85202096 0.01114603 -0.10297738 -0.28736331 0.21727373 Cu 1.74954348 7.05682067 1.76134232 -0.12423691 0.37259221 -0.17519647 Cu 0.00780974 8.82719997 1.79041045 0.24083610 -0.28683652 -0.03870646 Cu 3.55584862 7.11450993 0.00775508 -0.00972243 -0.00892403 -0.03768509 Cu 5.28604840 8.86422080 0.01448272 0.06144157 -0.06363854 0.14761889 Cu 5.31886900 7.09405411 1.75385944 -0.12002706 0.26397538 -0.32777755 Cu 3.50684389 8.82603071 1.75122241 0.11698394 0.09561634 -0.04054633 Cu 7.03841144 7.07639550 0.01113331 0.14128547 0.15655838 0.05547824 Cu 8.81670861 8.81075713 0.03520440 -0.29146485 -0.31271377 0.33383352 Cu 8.81012688 7.05126290 1.72393579 -0.13878393 0.18920563 0.13958680 Cu 7.06246025 8.85340792 1.76792290 0.03637511 -0.09052500 -0.21515757 Cu 0.04205479 0.02936977 3.53790440 -0.06987738 -0.03135506 -0.13148327 Cu 1.74907841 1.71830865 3.53971867 -0.11734667 0.29442889 -0.26048473 Cu 1.74999885 0.03434867 5.27890031 -0.05728124 -0.10755227 0.33455894 Cu 0.01541928 1.79359584 5.29151659 -0.06844001 -0.21922686 0.11855037 Cu 3.50247451 0.02998746 3.54813093 0.11387852 -0.30406921 -0.15732705 Cu 5.29249517 1.75420556 3.55196641 0.21964855 -0.43929984 -0.05784279 Cu 5.27132899 0.00178862 5.32984915 0.18805874 -0.22679162 -0.14409015 Cu 3.55505306 1.79151232 5.28800678 -0.26419160 -0.56128401 0.17968550 Cu 7.08463724 0.02202556 3.55855822 0.09408534 -0.08096516 -0.07478860 Cu 8.83154938 1.77754286 3.55403921 0.07970697 -0.16035912 -0.21601017 Cu 8.85061966 0.00151766 5.29500723 -0.16182818 0.21653416 0.11357866 Cu 7.09362339 1.79945878 5.30416605 0.14534599 -0.60646792 -0.09623391 Cu 0.01598213 3.55413292 3.54563812 -0.21929331 -0.13105405 -0.12678826 Cu 1.74438535 5.28054419 3.50468132 -0.16674698 0.15075476 0.13579822 Cu 1.78572771 3.52055762 5.32367231 -0.48971618 0.07569564 -0.19698606 Cu 0.03058171 5.30670265 5.30804743 -0.24888190 -0.06802666 0.12930420 Cu 3.55922277 3.53306914 3.54398926 -0.30662376 -0.05046422 -0.19944193 Cu 5.31901693 5.28730335 3.50901883 -0.12898160 0.13648460 -0.00305018 Cu 5.28466671 3.53853389 5.32902732 0.22618914 0.06461637 -0.20660942 Cu 3.54079790 5.30591475 5.27362478 -0.08340291 0.00057279 0.23161337 Cu 7.07030573 3.56663110 3.54055609 0.46257273 -0.26023404 -0.10913301 Cu 8.86312464 5.30953918 3.52034471 0.01703588 0.06467594 -0.07624779 Cu 8.80757615 3.52753537 5.30287668 0.32373805 0.20168176 0.04586672 Cu 7.04483737 5.33476716 5.27096943 0.62718633 -0.04723478 0.23146323 Cu 0.00981774 7.04766918 3.55399541 -0.09182961 0.25559884 -0.03526503 Cu 1.78455573 8.79999028 3.50037555 -0.16342382 0.09458535 0.14729204 Cu 1.77296306 7.04734499 5.27849346 -0.26951147 0.49429905 0.11735456 Cu 0.03110840 8.85747159 5.30950462 0.21757999 -0.17780369 -0.08223048 Cu 3.56255495 7.05323780 3.51213291 -0.22204190 0.46090795 -0.11570896 Cu 5.27335405 8.86492094 3.53503514 0.13385167 0.09822800 -0.11386143 Cu 5.27442407 7.06268366 5.28227121 0.23484525 0.41333928 0.13454149 Cu 3.55230660 8.80536333 5.29195473 -0.18357496 0.24518421 0.09799849 Cu 7.05456134 7.09243377 3.49677056 0.41474341 0.30160056 0.13576783 Cu 8.82066370 8.82215691 3.47518756 -0.11062168 -0.16417079 -0.03227873 Cu 8.85261314 7.07043012 5.28724964 -0.09251106 0.23729994 0.07290326 Cu 7.03909228 8.86175664 5.33097446 0.30202610 -0.09490518 -0.17228100 Cu 0.02378412 0.03219468 7.07748128 0.27895914 0.29916284 -0.03365383 Cu 1.79334874 1.78828074 7.08586657 -0.29086624 -0.38828051 0.27551057 Cu 1.81104532 0.02604641 8.84295469 0.01597799 0.24824101 -0.19476532 Cu 0.00568472 1.78207839 8.84427960 0.19515526 -0.01487274 -0.24017045 Cu 3.53442146 0.02950093 7.04744260 -0.18475413 -0.09793359 0.17925608 Cu 5.31883563 1.75194032 7.03408050 -0.12050872 -0.08240681 0.56141654 Cu 5.26568341 0.06167395 8.80938979 0.14652443 -0.16304234 -0.09313475 Cu 3.58550962 1.74226500 8.87163897 -0.26644332 0.30261777 -0.10275203 Cu 7.04805508 0.01814381 7.06194642 0.31506895 0.11655804 0.16897449 Cu 8.81594101 1.78981913 7.06572639 -0.07038565 -0.38217835 0.13758727 Cu 8.85753732 0.03442862 8.85940087 -0.37293112 0.52571070 -0.40839602 Cu 7.04311012 1.78028456 8.84918604 0.17139642 -0.21122205 -0.17667472 Cu 0.03140099 3.52261365 7.05929891 -0.15369302 -0.09335291 0.15302293 Cu 1.75915402 5.29218254 7.08314773 -0.24552203 0.12649258 0.23215408 Cu 1.72395592 3.53325177 8.84748290 0.12393613 -0.15461014 0.03370896 Cu 0.01644729 5.29187456 8.80133660 0.08305062 0.14416145 -0.12988172 Cu 3.52467267 3.56439542 7.07763507 0.06395249 -0.28653981 0.52644586 Cu 5.32267185 5.27214910 7.09989069 -0.08074718 0.38424227 0.21061945 Cu 5.31529431 3.55015148 8.84202100 0.05958523 -0.23326590 0.18248075 Cu 3.54625680 5.26818712 8.82819209 -0.13353324 0.28397129 0.26997482 Cu 7.05915264 3.51871063 7.05135880 0.49888284 0.23080008 0.54873892 Cu 8.86467212 5.32075926 7.05848524 -0.15630858 -0.11016176 0.11762267 Cu 8.84353522 3.48645289 8.82668404 -0.22213363 0.05545439 -0.15549591 Cu 7.06202816 5.32072569 8.86572261 0.31146082 -0.04848499 -0.04711408 Cu 0.01717467 7.09762739 7.04344175 0.17085193 0.13097404 0.22671770 Cu 1.79323898 8.85379441 7.07134093 -0.20885771 -0.13190633 0.06335124 Cu 1.79320736 7.10772218 8.78923607 -0.37359037 -0.06629434 0.03186074 Cu 0.00181308 8.84848870 8.84728697 0.42024475 -0.35989393 -0.42811925 Cu 3.51445955 7.06722969 7.07461955 0.22567367 0.23774418 0.25398757 Cu 5.32748051 8.80502829 7.05870394 -0.27759400 0.14850378 0.27025767 Cu 5.33102428 7.07644057 8.82727457 -0.26057084 0.05815576 0.07545138 Cu 3.53324688 8.81620213 8.83380968 0.15307984 -0.06548649 -0.15259438 Cu 7.04624421 7.08674671 7.07860094 0.54441206 0.10780634 0.13335197 Cu 8.86766421 8.84349438 7.07498975 -0.36162647 -0.33660907 0.00912192 Cu 8.86690414 7.04717481 8.80409915 -0.31446165 0.09027973 -0.22153677 Cu 7.04936407 8.81966600 8.84998949 0.11156839 -0.22302643 -0.26593371