108 Lattice="10.650909624643704 0.0 0.0 0.0 10.650909624643704 0.0 0.0 0.0 10.650909624643704" Properties=species:S:1:pos:R:3:forces:R:3 energy=-329.3631665029571 stress="-3.285366636732909 -1.815896142550887 0.8778200740478646 -1.815896142550887 -2.9434684506995232 -1.0463919571418288 0.8778200740478646 -1.0463919571418288 -2.7872662512713653" pbc="F F F" Cu 0.03049650 -0.01222177 -0.02905827 0.48468231 0.55533098 0.52516645 Cu 1.75319291 1.80711409 0.00556937 0.02087535 -0.25766629 -0.30093116 Cu 1.80755903 -0.01933964 1.71754109 -0.33359995 -0.14046053 0.30672921 Cu 0.03428895 1.78259012 1.80393147 -0.46523637 -0.25233518 -0.30053440 Cu 3.53116398 0.03375624 0.01168227 0.14629773 0.08652154 0.03715105 Cu 5.31349055 1.75975660 -0.00137189 0.02192453 0.17504370 -0.13787215 Cu 5.35223085 -0.00477173 1.80615096 -0.25212304 -0.17413364 -0.11247375 Cu 3.51871336 1.77723521 1.80429392 0.35633084 -0.16425401 -0.30227389 Cu 7.07672698 0.01785505 -0.01734855 0.03234909 0.22790126 0.29436659 Cu 8.86957905 1.77459252 -0.01874506 -0.32204012 0.08375559 0.31796684 Cu 8.87963505 0.02338472 1.74769815 -0.34877432 0.32517196 0.14036861 Cu 7.07718084 1.75516752 1.76849263 0.30001320 0.13027459 -0.07053926 Cu 0.00164084 3.53434269 -0.02950251 0.17948228 0.11118205 0.35367459 Cu 1.76589450 5.32250810 -0.00940296 -0.08190908 0.10694834 -0.15528122 Cu 1.78146647 3.52146595 1.77398849 -0.32631174 0.45978242 -0.13320635 Cu 0.01662481 5.35604261 1.80075544 -0.35546391 -0.27105892 -0.37417606 Cu 3.53751195 3.56631216 -0.00972544 0.08793915 -0.14289128 -0.27976453 Cu 5.33753059 5.33026602 0.03041717 -0.17839580 -0.07694545 -0.54432612 Cu 5.29838861 3.55711736 1.79854139 0.13481547 -0.16582759 -0.42316989 Cu 3.52999480 5.30881054 1.77115214 -0.03469071 0.26040092 -0.12841158 Cu 7.13598354 3.57905648 -0.00349115 -0.21517424 -0.25877971 -0.15408660 Cu 8.90176024 5.29692618 0.01307391 -0.28726968 0.18410437 0.26614902 Cu 8.87517897 3.53288666 1.78842749 0.23079910 0.01823442 -0.10628688 Cu 7.07485576 5.29893312 1.79779663 0.44921810 0.29733781 -0.30829273 Cu 0.00294055 7.13284115 0.01725534 0.25475538 -0.16058473 0.23522306 Cu 1.74941091 8.89678119 0.03024587 0.09616885 -0.23974698 0.25444803 Cu 1.76836803 7.10540870 1.79776616 -0.08704947 0.09913187 -0.34570486 Cu -0.03320588 8.88245953 1.76999487 0.35806741 -0.34361258 0.18960175 Cu 3.54360646 7.14923821 0.00577293 -0.08384575 -0.24639167 -0.20921683 Cu 5.26818346 8.90993637 -0.01713751 0.16790936 -0.26281640 0.32136220 Cu 5.34489860 7.08043596 1.75574637 -0.30495091 0.42518484 -0.00296193 Cu 3.52158523 8.87861340 1.78844869 0.28164013 0.25361296 -0.05958713 Cu 7.06892460 7.11035969 -0.00723012 0.28194632 0.07858978 -0.14937168 Cu 8.88847038 8.87672083 0.01009100 -0.57605357 -0.52795450 0.52549587 Cu 8.84515268 7.10222284 1.76226100 0.13679087 0.06288708 0.03437729 Cu 7.06642685 8.88196566 1.77790423 0.23711129 0.22138047 -0.22602594 Cu 0.01866459 -0.01141808 3.57956156 0.17606271 0.17837904 -0.14208178 Cu 1.74952549 1.77955222 3.52572035 0.08691083 -0.21517240 0.27133428 Cu 1.79310934 -0.01228993 5.29381457 -0.09967136 -0.14887044 0.32482186 Cu 0.03442044 1.78295289 5.34436957 -0.41715637 -0.20763614 -0.06512242 Cu 3.54765374 -0.00661498 3.58077754 0.03991092 -0.21971721 -0.21229787 Cu 5.30940084 1.80868613 3.57231188 0.12139125 -0.37502822 -0.02483487 Cu 5.30350419 -0.00572633 5.34474112 0.15778728 -0.16587122 -0.18194239 Cu 3.52296949 1.80763368 5.34001580 0.16896203 -0.38658800 -0.31123271 Cu 7.11254670 0.01972996 3.56317536 0.01139665 -0.23348171 0.00457095 Cu 8.88539590 1.80987480 3.57524578 0.18188167 -0.25088758 -0.18362952 Cu 8.86356816 -0.00337570 5.34644942 -0.13307619 0.14730811 -0.06615515 Cu 7.13220271 1.78653589 5.33574919 -0.30336042 -0.22872774 -0.18605043 Cu -0.02004250 3.57344805 3.56798151 -0.32851821 -0.17034647 -0.06456744 Cu 1.72764029 5.31453805 3.57698841 0.32224137 -0.03563022 -0.22300338 Cu 1.76801958 3.51700009 5.35116045 -0.08204046 0.33523196 -0.26132308 Cu -0.01167733 5.32318955 5.34360360 -0.36575754 0.00430768 -0.05320914 Cu 3.54442523 3.57589706 3.54526875 -0.07024654 -0.21706796 0.19579629 Cu 5.30223336 5.35078164 3.56621710 0.21732692 -0.26122395 -0.17657744 Cu 5.35797644 3.57284349 5.36206751 -0.23230933 -0.14310456 -0.41201193 Cu 3.52876175 5.31969695 5.29176310 0.17721551 0.02688269 0.49874181 Cu 7.07425805 3.57738075 3.52579933 0.27432253 -0.32504178 0.34030513 Cu 8.86828109 5.30391878 3.57953358 0.28013213 0.10061296 -0.22287591 Cu 8.87785291 3.52323721 5.35318844 0.34217611 0.36651737 -0.16458271 Cu 7.07565130 5.34352648 5.33988030 0.41905375 -0.21801406 -0.13143141 Cu 0.02420213 7.06716387 3.55858645 -0.51655012 0.46367082 0.06918274 Cu 1.79955271 8.87259156 3.52546821 -0.35868324 0.29409111 0.17662694 Cu 1.78762070 7.09443413 5.30977914 -0.20810117 0.30122483 0.21625446 Cu 0.00114789 8.90336563 5.34990658 0.31190855 -0.35721146 -0.10286186 Cu 3.56800660 7.07279223 3.55062437 -0.22221802 0.39110818 -0.12482402 Cu 5.34552641 8.87092880 3.57245385 -0.19176517 0.43798586 -0.12545010 Cu 5.32899377 7.10793584 5.30383717 -0.13215348 0.19480613 0.42687717 Cu 3.51782435 8.89695592 5.30251930 0.23551310 0.21924214 0.11316066 Cu 7.06875832 7.12700852 3.54925162 0.42973440 -0.11027410 -0.02002887 Cu 8.85241751 8.87688861 3.57889916 -0.17472547 -0.20187543 -0.14412392 Cu 8.85991098 7.06757991 5.30617934 0.32670456 0.12198207 0.19992889 Cu 7.13325570 8.87301201 5.37527678 -0.13814844 0.25042619 -0.08761509 Cu 0.01082692 -0.01914924 7.06030688 0.35017515 0.32071463 0.05698144 Cu 1.78680812 1.79710565 7.14732370 -0.30252883 -0.49774457 -0.16201999 Cu 1.79943185 -0.00296703 8.85104297 -0.09978324 0.22594344 -0.22492694 Cu -0.03198583 1.75572548 8.86238959 0.41595096 0.06072847 -0.37601610 Cu 3.56361892 0.00996417 7.08003608 -0.07458122 -0.25232342 0.23530680 Cu 5.29613196 1.80872369 7.09016925 0.30143650 -0.43983627 0.28797269 Cu 5.34006136 0.01575975 8.90405931 -0.11453143 0.26285691 -0.31384918 Cu 3.51635718 1.79267380 8.90081617 0.31206565 -0.23248129 0.22116428 Cu 7.06956243 0.02374222 7.08868963 0.16753060 -0.28086735 0.25101827 Cu 8.86391256 1.77579646 7.07304461 0.38693700 -0.25070481 0.48604555 Cu 8.87332590 -0.01943613 8.90692767 -0.63181174 0.61819259 -0.65481670 Cu 7.08838039 1.77245037 8.86508871 0.18465130 -0.15829886 0.27316809 Cu 0.01783739 3.56543389 7.08344028 -0.45469214 -0.16034317 0.30380610 Cu 1.76319136 5.32622434 7.07831344 0.18657565 0.06212056 0.34925431 Cu 1.80353617 3.53281500 8.87029776 -0.32055530 0.24394299 0.31872338 Cu -0.00693489 5.31633017 8.86145279 0.21870252 -0.00793181 -0.16257691 Cu 3.57453993 3.53121858 7.06571281 -0.24994204 0.41564974 0.49125808 Cu 5.35166240 5.31066372 7.12274585 -0.28776151 0.05563006 0.02819454 Cu 5.31074751 3.53517755 8.90570743 0.13430118 0.02429288 0.21417576 Cu 3.56267267 5.30047187 8.86627832 -0.10367624 0.23645618 0.27342721 Cu 7.13123769 3.52709568 7.10334360 -0.21120260 0.21382303 0.32119737 Cu 8.86553789 5.29594784 7.15310438 0.28855396 0.18298842 -0.25172449 Cu 8.85108310 3.55321133 8.88661711 -0.09995789 -0.12158508 -0.06313305 Cu 7.09105399 5.34110497 8.90906463 0.02127814 -0.16986404 0.23517521 Cu -0.01146185 7.07272483 7.08857977 -0.13621972 0.33413730 0.12730592 Cu 1.79217131 8.87434318 7.07297996 -0.23001856 0.06424269 0.28031188 Cu 1.74659015 7.08573063 8.87175459 0.10891108 0.15246640 0.05716225 Cu -0.02073612 8.86621964 8.87857408 0.59852392 -0.55521535 -0.61884485 Cu 3.59514512 7.11108049 7.09892222 -0.36261006 0.02147311 0.16214787 Cu 5.30706208 8.90654305 7.13315018 0.10730258 0.13385536 -0.10396461 Cu 5.35542302 7.11180401 8.86854719 -0.26480943 0.08671288 0.35859610 Cu 3.50561560 8.90646171 8.87784625 0.04530677 -0.36938953 -0.23829341 Cu 7.07746766 7.06761556 7.09108725 0.40016308 0.52958044 0.37271170 Cu 8.90912683 8.84649867 7.07649850 -0.34407055 -0.41614965 0.16730762 Cu 8.88479538 7.04062211 8.90210721 -0.34649752 0.20065703 -0.35616504 Cu 7.11204043 8.86271491 8.90221677 0.09450520 -0.37305388 -0.47343453