108 Lattice="10.604297688068526 0.0 0.0 0.0 10.604297688068526 0.0 0.0 0.0 10.604297688068526" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.6316168193933 stress="-3.4861737619550226 0.521806339299534 0.7370792897661469 0.521806339299534 -3.0362189967808417 -0.06783749186537058 0.7370792897661469 -0.06783749186537058 -3.0773906013257224" pbc="F F F" Cu 0.02930097 -0.01335487 -0.01245194 0.47726360 0.51859755 0.56110117 Cu 1.78096639 1.73243641 0.01208201 -0.26161555 0.35540033 -0.43207485 Cu 1.78114863 -0.02601311 1.75660684 -0.09937148 -0.14086214 0.23446261 Cu -0.00519214 1.78788795 1.75058060 -0.18312098 -0.14143757 0.13265896 Cu 3.50834212 0.04365362 -0.02540547 0.18244425 -0.03397955 0.19122782 Cu 5.27913167 1.78977474 -0.00107008 0.37799406 -0.25414386 -0.27273390 Cu 5.26783510 -0.02078543 1.79405798 0.19766761 -0.18653902 -0.32791890 Cu 3.51956282 1.79073619 1.75136647 -0.08053348 -0.36352729 0.33138346 Cu 7.08238701 -0.01936287 -0.03466902 -0.27267443 0.49400846 0.51934533 Cu 8.85460568 1.73747761 0.03461996 -0.33969792 0.25155817 0.11529956 Cu 8.81010073 0.03353851 1.77113265 -0.14652192 -0.11523745 0.08679164 Cu 7.10325528 1.74317761 1.76667637 -0.63317929 0.17869149 -0.06376875 Cu 0.00479607 3.55993085 -0.00354500 0.23238885 -0.17566180 0.04113610 Cu 1.78747223 5.33498358 0.02198968 -0.15395251 -0.05485784 -0.72427205 Cu 1.75990289 3.56221842 1.73501129 0.05653451 -0.33535536 0.26406256 Cu 0.02972188 5.28282170 1.74322434 -0.62632059 0.25279043 0.10747455 Cu 3.53722952 3.55044042 0.00402904 -0.16734618 -0.12738997 -0.65334407 Cu 5.32216032 5.27719572 0.01534791 -0.12575162 0.41117936 -0.61202617 Cu 5.28102739 3.51530128 1.77899727 0.40544175 -0.10600087 0.18356063 Cu 3.55916608 5.28879409 1.75471912 -0.27555817 0.20817531 0.33702685 Cu 7.06641536 3.56779257 0.02572302 0.04086136 -0.53774362 -0.58038287 Cu 8.82461228 5.29634762 -0.00987935 -0.08622460 0.13460707 0.19717140 Cu 8.80381260 3.54855751 1.75766392 0.54364920 -0.06744547 0.22174435 Cu 7.05225806 5.29703981 1.75276650 0.24744924 0.18780477 0.34224836 Cu -0.01990787 7.06646153 -0.03424787 0.43550234 -0.07372537 0.45380162 Cu 1.78866309 8.81060438 0.02767920 -0.15201836 -0.14048987 0.20746916 Cu 1.77374237 7.06211694 1.76798475 0.11372200 0.08574430 0.19436993 Cu -0.02375917 8.80211155 1.76548608 0.33828896 -0.23216960 -0.05180552 Cu 3.50092416 7.07669579 0.00237996 0.41445670 0.03905794 -0.35221011 Cu 5.31765307 8.81805349 -0.01856332 -0.01881609 -0.30381858 0.45359236 Cu 5.27234819 7.05307594 1.79374872 0.29151345 0.43396621 -0.45931939 Cu 3.51713921 8.86593289 1.79728643 0.10356628 0.20257213 -0.12638674 Cu 7.09889258 7.07815905 0.02749877 -0.37882446 -0.06881316 -0.38789995 Cu 8.80230897 8.80978333 0.03248712 -0.34194897 -0.27629178 0.37289844 Cu 8.82019556 7.08070418 1.76783757 0.39551514 -0.24568831 0.17839487 Cu 7.07720039 8.85008226 1.81158667 -0.24456859 0.20745296 -0.15298482 Cu -0.00313954 -0.02414246 3.52654739 0.34385891 0.44161567 -0.04563891 Cu 1.74679718 1.79810393 3.55200437 0.06876619 -0.36587562 -0.22603504 Cu 1.75625078 0.02121637 5.31036102 -0.06719418 -0.32556863 0.05191260 Cu -0.03450831 1.79128569 5.32618212 -0.32000221 -0.24233073 -0.15831473 Cu 3.51334554 -0.02248790 3.56136303 -0.10419871 -0.12725495 -0.11896463 Cu 5.31303930 1.73673977 3.53326498 -0.12467667 0.30685629 -0.16881547 Cu 5.29758370 0.01782971 5.31019456 0.09791381 -0.60829351 0.08848172 Cu 3.56509549 1.79779180 5.33157933 -0.56354586 -0.23707450 -0.41016106 Cu 7.04665863 -0.00379170 3.56586341 0.22918992 -0.42292460 -0.09827989 Cu 8.83113503 1.75340149 3.51867181 0.30561400 0.08530470 0.30336844 Cu 8.81858037 -0.03533529 5.35627218 -0.21907568 0.44059423 -0.12766038 Cu 7.05193430 1.78663300 5.32917049 0.35657433 -0.31725987 -0.16145094 Cu 0.01749171 3.56184527 3.55959503 -0.58755891 -0.16561616 -0.29394812 Cu 1.78216109 5.30532203 3.55684492 0.18402387 0.04792163 -0.41624274 Cu 1.76097178 3.56019599 5.30190411 0.28900769 -0.34348696 0.16610357 Cu 0.02358240 5.29919574 5.31776166 -0.83314906 0.06534359 -0.07886970 Cu 3.50766195 3.51081839 3.50546010 0.31094506 0.24328347 0.33148962 Cu 5.33710990 5.33322006 3.50483690 -0.37517489 -0.65272116 0.44760942 Cu 5.30956434 3.50284009 5.31317266 -0.22670157 0.58276053 -0.40975053 Cu 3.55360639 5.31697706 5.29665757 0.00277263 -0.27072788 0.06584708 Cu 7.05004560 3.55101505 3.56463269 0.20505326 -0.21278884 -0.34168949 Cu 8.87192519 5.32550884 3.55362924 0.17741100 -0.10048466 -0.14075808 Cu 8.85586089 3.51572936 5.32428394 0.41929647 0.02746140 -0.13172001 Cu 7.09334968 5.26767620 5.33367646 -0.24006936 0.33790075 -0.13630879 Cu 0.02210876 7.05508708 3.48672066 -0.61744248 0.00137848 0.18973073 Cu 1.74003174 8.86170171 3.53442035 0.20831716 0.26130408 -0.19417858 Cu 1.73370603 7.07010877 5.26777140 0.42180649 0.13935991 0.32981022 Cu 0.03434984 8.85861848 5.28133011 0.04784705 -0.26859453 0.16806895 Cu 3.56973516 7.06090090 3.55979841 -0.59918805 0.13888640 -0.34589050 Cu 5.30232663 8.85546306 3.52729112 0.03751296 0.46508571 0.04470853 Cu 5.29057377 7.08662508 5.27668801 0.21573920 -0.18451260 0.45069703 Cu 3.51306095 8.83996914 5.30816866 -0.07799521 0.40595112 0.05730064 Cu 7.03792190 7.03475835 3.56554360 0.42855645 0.20100840 -0.29802867 Cu 8.83471809 8.81502059 3.52441859 -0.08105465 -0.15835613 -0.00634441 Cu 8.83871217 7.08745722 5.31459429 0.42265558 -0.10285818 0.14259150 Cu 7.10151083 8.82948810 5.27867108 -0.15160240 0.51364422 0.11634280 Cu -0.01373307 0.00072148 7.09254674 0.36676540 0.37511879 -0.08530835 Cu 1.74321103 1.77044500 7.05576086 0.30721378 -0.24363628 0.06702384 Cu 1.76670816 -0.00245817 8.84959134 0.14725607 0.41541870 -0.46240186 Cu 0.02123914 1.78332184 8.85798812 0.20706355 -0.14730925 -0.23793408 Cu 3.55807220 -0.00389601 7.05390614 -0.30995977 -0.30475637 0.19689100 Cu 5.28735442 1.79294475 7.05269599 0.38221416 -0.42338097 0.55513411 Cu 5.28741390 -0.01455667 8.84013205 0.12003603 0.35505796 -0.30840519 Cu 3.53907428 1.78240365 8.83495431 -0.16363474 -0.21015029 0.33168448 Cu 7.07960217 -0.02497618 7.07162123 -0.23396076 -0.12913015 0.07939075 Cu 8.82380198 1.80249724 7.08900488 0.36580399 -0.26033417 -0.05794384 Cu 8.81234608 0.01327756 8.83352934 -0.37594283 0.40784529 -0.48126417 Cu 7.09052635 1.74513420 8.85171425 -0.28548937 0.18296747 0.17938873 Cu 0.01089306 3.50086975 7.09295459 -0.66057873 0.23700640 -0.11152529 Cu 1.74360640 5.30542680 7.04095764 0.57534834 0.06409076 0.22930287 Cu 1.74876598 3.52315588 8.80238523 0.33164323 0.17037899 0.58174022 Cu 0.04005949 5.33707000 8.81503135 -0.01635445 -0.13434329 0.01468772 Cu 3.54070498 3.51504642 7.05745446 -0.28146941 0.36789255 0.12353789 Cu 5.29872436 5.28500131 7.09292544 0.10747288 0.19823626 -0.37125341 Cu 5.29809412 3.53070461 8.84968039 0.13680274 -0.11644922 0.46372819 Cu 3.56029576 5.33244424 8.81892349 -0.48594964 -0.23142695 0.50382800 Cu 7.03854906 3.53170440 7.05270560 0.29695857 -0.02140108 0.46759514 Cu 8.84472383 5.30424506 7.09412446 0.31497461 0.02657667 -0.14578385 Cu 8.85294219 3.55158011 8.82678213 -0.31747355 -0.07518800 -0.14451827 Cu 7.06218522 5.30033212 8.84606450 0.10859110 0.10819582 0.30959477 Cu 0.01016321 7.04346422 7.06386488 -0.52510601 0.35155846 -0.12072552 Cu 1.75953591 8.82222639 7.09939546 0.07660913 0.36861678 -0.23359857 Cu 1.74981071 7.09933970 8.82996457 0.25774441 -0.24225023 0.42084625 Cu -0.00994583 8.80218921 8.83545094 0.39320932 -0.41895648 -0.46943297 Cu 3.55009399 7.05377117 7.06688518 -0.18132975 0.22921803 -0.13707405 Cu 5.32538268 8.86705528 7.04122295 -0.11370197 0.19296241 0.15288144 Cu 5.29449155 7.06123701 8.87089235 0.21597170 0.16901320 0.17277620 Cu 3.54097474 8.80827312 8.85162239 0.05057290 -0.12653565 -0.28447123 Cu 7.03529829 7.06256794 7.03480401 0.15117449 0.05281487 0.37272391 Cu 8.80197989 8.85821114 7.10165386 -0.35694178 -0.37665033 -0.08546083 Cu 8.86529971 7.05557008 8.80413828 -0.53051064 0.06183820 -0.29284040 Cu 7.02477961 8.83386968 8.84882654 0.07453072 -0.45226794 -0.36791944