108 Lattice="11.246530919922668 0.0 0.0 0.0 11.246530919922668 0.0 0.0 0.0 11.246530919922668" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.68948383555443 stress="-0.0036692085401546313 0.0002663079854697368 0.00038509615536699474 0.0002663079854697368 -0.003533348075641509 -0.0008840283699860119 0.00038509615536699474 -0.0008840283699860119 -0.003569897591385383" free_energy=-225.68948383555443 pbc="F F F" Cu 0.01421360 0.00621403 0.03202834 -0.27927142 -0.31486242 -0.32772219 Cu 1.85254021 1.88680927 0.02366383 0.64826146 0.44807638 -0.63474318 Cu 1.90161118 0.03035730 1.84481086 0.34802243 -0.72349596 0.78939113 Cu 0.02929632 1.84235331 1.87731715 -0.68730846 0.74620167 0.62652055 Cu 3.73554382 0.01158530 0.00835212 0.22832796 -0.24197909 -0.38691813 Cu 5.64955618 1.88244690 0.00623515 -0.24106751 0.42936970 -0.33663791 Cu 5.61729424 0.02405319 1.91084616 -0.14146803 -0.49593912 0.23800699 Cu 3.74767225 1.86483378 1.88477438 0.03355487 0.71640574 0.56695777 Cu 7.46747195 0.00804500 0.01512065 -0.19613484 -0.32248136 -0.26956219 Cu 9.39767765 1.87540801 0.03416559 0.15155703 0.42190949 -0.29577507 Cu 9.35696218 0.00035510 1.89561977 0.29098077 -0.31738486 0.33855042 Cu 7.48594229 1.90635709 1.90413704 -0.34591470 0.49440832 0.43333795 Cu 0.03231274 3.73854115 0.02806586 -0.49491888 0.10552664 -0.45089406 Cu 1.90637980 5.62142268 0.00783543 0.31859404 -0.10678619 -0.48946329 Cu 1.84866772 3.79551209 1.87549472 1.09562910 -0.29537553 0.73950472 Cu 0.02081612 5.58618450 1.89476563 -0.66804038 0.37768369 0.21567347 Cu 3.73665301 3.71432718 0.02951599 0.18460357 0.23473093 -0.27986104 Cu 5.61421293 5.65767095 0.02354845 -0.20191070 -0.27194766 -0.41422436 Cu 5.60121437 3.73891271 1.89836157 0.10119124 0.17304712 0.55361947 Cu 3.77745010 5.64341105 1.88305577 -0.21070885 -0.24354037 0.62750850 Cu 7.46902771 3.77987036 0.03556101 -0.24440316 -0.04562341 -0.44857631 Cu 9.40682663 5.62570741 0.03141359 0.28299900 -0.05576698 -0.39081904 Cu 9.36797445 3.77819003 1.89337273 0.36219549 -0.12659337 0.44303635 Cu 7.49233005 5.65584181 1.84511566 -0.63637225 -0.23120364 1.09029006 Cu 0.02854520 7.51823704 0.00998507 -0.49586299 -0.60943943 -0.40054014 Cu 1.84169404 9.38895233 0.01060076 0.52357941 0.46582879 -0.33020028 Cu 1.87400605 7.48229362 1.84226168 0.67319909 -0.42120253 0.89984031 Cu 0.00342539 9.34248545 1.90437888 -0.55788185 0.44680619 0.22800192 Cu 3.71966481 7.49940858 0.00333035 0.18867543 -0.29396865 -0.44560550 Cu 5.60492473 9.38174181 0.02197419 0.04225466 0.25459187 -0.54450751 Cu 5.63202020 7.51675654 1.85974357 -0.18358100 -0.60507207 0.94604226 Cu 3.77333684 9.39316820 1.85713579 -0.30241961 0.21627451 0.56289361 Cu 7.51048789 7.49417477 0.02017341 -0.43633508 -0.22318929 -0.72238817 Cu 9.38343738 9.40002597 0.03464097 0.12929941 0.20347843 -0.20430300 Cu 9.35771149 7.52294329 1.85879193 0.47300338 -0.63688390 0.59008925 Cu 7.46031624 9.39893645 1.86695264 -0.34250222 0.41699049 0.58171143 Cu 0.01154109 0.00404381 3.75921700 -0.35251341 -0.31747149 -0.11974271 Cu 1.86263409 1.89752601 3.73726766 0.73314491 0.54389763 0.15806553 Cu 1.83783635 0.02550272 5.58799269 0.85750760 -0.39823458 0.18960918 Cu 0.00383788 1.88422184 5.64206819 -0.46602805 0.65476934 -0.24231979 Cu 3.71995259 0.00517221 3.76843252 0.08837053 -0.26424473 -0.02788041 Cu 5.63248333 1.85090412 3.75075257 -0.15565056 0.91679714 0.20893199 Cu 5.55839239 0.02699040 5.66028260 0.38434640 -0.54862632 -0.24781214 Cu 3.77838244 1.87796087 5.63330710 -0.58229840 0.72678295 -0.21444256 Cu 7.47897231 0.02646526 3.75007545 -0.36023868 -0.55086715 0.24353431 Cu 9.38004305 1.87941561 3.77873291 0.33091070 0.50928087 -0.09631248 Cu 9.35939254 0.03238302 5.65149601 0.43717239 -0.48750259 -0.19645550 Cu 7.48958317 1.84191652 5.63778909 -0.69346252 0.92001072 -0.19003416 Cu 0.03360647 3.76880943 3.76056198 -0.52909075 -0.31266771 -0.05073548 Cu 1.84357883 5.65202156 3.73530486 1.15692145 -0.22399685 0.09590010 Cu 1.88406431 3.77359137 5.60034004 0.85194701 -0.21773831 0.11879310 Cu 0.02134288 5.58824975 5.59425660 -0.48008563 0.26231293 0.24509927 Cu 3.74542637 3.71365063 3.72677123 -0.08248071 0.35878942 0.17302738 Cu 5.59452228 5.62040138 3.72552291 0.16915754 0.02586096 0.26734716 Cu 5.59930783 3.73322786 5.60179174 0.16684662 0.33315633 -0.22382999 Cu 3.73581149 5.61590300 5.60541491 0.14786416 -0.07994604 -0.21733635 Cu 7.51114129 3.77471221 3.76071141 -0.96644397 -0.16811564 -0.07918553 Cu 9.35637863 5.61785645 3.75628965 0.38345560 0.18793907 -0.11682248 Cu 9.33767465 3.76263437 5.61983671 0.42464818 -0.02732936 0.05471744 Cu 7.48892576 5.60145078 5.60123332 -0.88390327 0.20658318 0.29220187 Cu 0.00899296 7.49153205 3.75693632 -0.41544617 -0.47676426 0.01957238 Cu 1.84793825 9.40181321 3.70537886 0.85275623 0.14807753 0.29844888 Cu 1.85517375 7.47170941 5.65229985 0.75621370 -0.30477731 -0.37933868 Cu 0.00153876 9.38693763 5.58626976 -0.25202983 0.24404811 0.07982942 Cu 3.71166796 7.47674130 3.76073708 0.14797509 -0.31731991 -0.09753696 Cu 5.56912285 9.39232612 3.74318300 0.22031967 0.09300399 0.15154287 Cu 5.60151512 7.50440206 5.63550871 0.29948680 -0.67401771 -0.28601008 Cu 3.75465360 9.34434869 5.63107674 -0.25153955 0.33699841 -0.07929916 Cu 7.49226312 7.50014119 3.78506590 -0.86492842 -0.56999294 -0.28434082 Cu 9.37004549 9.34063611 3.69223549 0.31892247 0.41540383 0.20898841 Cu 9.34703249 7.49269273 5.61829333 0.46266390 -0.44312944 0.08481512 Cu 7.51462959 9.39823893 5.61354743 -0.64448456 0.29869859 0.03947180 Cu 0.02842602 0.02697991 7.47910519 -0.52967148 -0.61761362 -0.32204907 Cu 1.85983307 1.86820113 7.49506941 1.09003053 0.80705061 -0.67825474 Cu 1.84977508 0.00147738 9.38523327 0.47616874 -0.41722873 0.36061171 Cu 0.01117238 1.85715707 9.34619091 -0.54635410 0.49714632 0.44753415 Cu 3.74923043 0.00762200 7.51373845 -0.28398285 -0.43554603 -0.49182480 Cu 5.59518092 1.90049653 7.46641048 0.18123172 0.51159486 -0.14794826 Cu 5.63747338 0.02687091 9.34941188 -0.01039088 -0.44777895 0.29165596 Cu 3.76495046 1.84022126 9.39316218 -0.09675749 0.81262639 0.21799240 Cu 7.51854379 0.00206534 7.49256621 -0.62280383 -0.48683878 -0.41698328 Cu 9.40178875 1.89873356 7.48239440 0.38599415 0.46671586 -0.31804530 Cu 9.37456513 0.02639989 9.37950618 0.26877434 -0.21502684 0.15093656 Cu 7.50170599 1.84015685 9.35789662 -0.48528247 0.78062681 0.36013959 Cu 0.03161479 3.77464369 7.48644011 -0.45497890 0.03245955 -0.37176502 Cu 1.88924137 5.64312716 7.49175913 0.56587035 -0.26711790 -0.49983648 Cu 1.86318096 3.72900017 9.36136891 0.67931661 0.14936614 0.31716340 Cu 0.00779173 5.65341716 9.37984260 -0.33219161 -0.21849289 0.24872553 Cu 3.78514023 3.78358152 7.47071646 -0.32705039 -0.17195569 -0.24584240 Cu 5.59657632 5.66063161 7.49557242 0.33286355 -0.34699178 -0.56660260 Cu 5.63410540 3.75674652 9.39852996 -0.17215683 -0.05967653 0.11026070 Cu 3.72893940 5.63275650 9.38397655 0.26192522 -0.16422990 0.28915404 Cu 7.46373306 3.73586213 7.46855579 -0.48172311 0.22935719 -0.28570729 Cu 9.37613606 5.61540839 7.52331075 0.21682871 -0.09831324 -0.51951184 Cu 9.37861335 3.72565782 9.38879187 0.08856137 0.08964323 0.20628003 Cu 7.47055766 5.61946994 9.39910760 -0.27599568 -0.11603788 0.20004602 Cu 0.02818070 7.51545486 7.50894537 -0.72556106 -0.58229157 -0.54303982 Cu 1.86135028 9.33678013 7.49671654 0.68224842 0.52451585 -0.43551726 Cu 1.87593127 7.46087525 9.40360415 0.54661805 -0.09212092 0.39365355 Cu 0.03178217 9.39893759 9.37589371 -0.16711499 0.13521329 0.23047394 Cu 3.78516509 7.47077110 7.48994314 -0.32775935 -0.38171540 -0.36165412 Cu 5.60737081 9.36388644 7.52644792 0.12716338 0.41680300 -0.74858791 Cu 5.65109145 7.52943457 9.40812384 -0.33094356 -0.77893465 0.37413185 Cu 3.75220780 9.36630459 9.35866730 -0.14234310 0.22449502 0.32349076 Cu 7.51600212 7.49900496 7.52603117 -0.84916388 -0.72220522 -0.96856638 Cu 9.36611787 9.35531270 7.53073773 0.40263103 0.46626349 -0.49914620 Cu 9.35422570 7.51470694 9.37523655 0.42137360 -0.50147456 0.54147566 Cu 7.46676029 9.35675170 9.37048251 -0.18520712 0.60945072 0.47846114