108 Lattice="10.63339192090022 0.0 0.0 0.0 10.63339192090022 0.0 0.0 0.0 10.63339192090022" Properties=species:S:1:pos:R:3:forces:R:3 energy=-314.2454587688155 stress="-2.219227111840101 0.5091592677064858 0.7318481462941708 0.5091592677064858 -1.5810038372108686 0.42197060357248706 0.7318481462941708 0.42197060357248706 -1.854020743183793" pbc="F F F" Cu 0.01786424 -0.01408855 -0.02597313 0.47919620 0.53643354 0.50618125 Cu 1.74138746 1.78223528 -0.03217872 0.23524901 -0.18438546 -0.29867340 Cu 1.74095954 0.00664232 1.74279399 0.07858562 -0.29842976 0.07215622 Cu 0.03253601 1.76696212 1.75749649 -0.53228808 -0.20548276 0.02775321 Cu 3.54670170 0.00423996 0.01900532 -0.13882230 0.17779384 0.13403275 Cu 5.31274855 1.74616655 -0.02596107 0.10142925 0.19474395 -0.17857068 Cu 5.32970078 -0.00595302 1.74377496 -0.09337940 -0.25414486 0.15668854 Cu 3.53879587 1.76774013 1.78063013 0.01487853 -0.03490062 -0.15759124 Cu 7.06804145 -0.01621864 0.03308383 0.10812719 0.25638042 0.16364743 Cu 8.87764874 1.72495287 0.01083074 -0.34606793 0.11016558 0.32040128 Cu 8.83357772 0.01580058 1.80327646 -0.15676225 0.12253837 -0.09237313 Cu 7.10737453 1.77188908 1.75203912 -0.14300447 0.16582945 -0.10512483 Cu 0.03248422 3.50654303 -0.03080225 0.07729972 0.14986397 0.17943105 Cu 1.77651332 5.34928989 0.00227880 -0.12222952 -0.11427552 -0.32246812 Cu 1.73050802 3.50196821 1.77184725 0.23570496 0.34282759 -0.08566306 Cu -0.01346347 5.32943852 1.75497603 -0.28089630 -0.09135344 -0.11625497 Cu 3.56072539 3.57340619 0.01992416 -0.27881819 -0.37516232 -0.44797310 Cu 5.28976011 5.28339779 0.00215450 0.39256243 0.13206016 -0.45291962 Cu 5.29266829 3.56506632 1.79480854 0.42579408 -0.31588149 -0.27671721 Cu 3.54237392 5.30114850 1.74104890 -0.27384621 0.10239533 0.27548427 Cu 7.13033090 3.55750773 -0.01401126 -0.14197652 -0.21827711 -0.20266470 Cu 8.83853299 5.32969767 -0.00771959 0.05329124 -0.03763432 0.05216914 Cu 8.87379700 3.56008191 1.78181257 0.32058628 -0.10660220 -0.10803272 Cu 7.12264319 5.32893079 1.75978490 -0.24266720 -0.14172330 0.12813628 Cu 0.00907254 7.07855713 0.00809510 0.30460032 0.13548474 0.33391853 Cu 1.77222181 8.87265037 0.01915793 0.02413869 -0.39371852 0.32641979 Cu 1.80357700 7.09164667 1.77471285 -0.22213858 0.12665665 -0.19809865 Cu -0.00682485 8.89064511 1.77014039 0.41549200 -0.43693367 -0.00134034 Cu 3.58186897 7.07147395 0.01779760 -0.22010542 0.22609414 -0.49967550 Cu 5.29882617 8.87285589 0.02467355 0.17478031 -0.25355814 0.22349236 Cu 5.30463310 7.05606256 1.76118763 0.23507830 0.22076911 0.07502379 Cu 3.54521215 8.84060484 1.78167524 0.03254872 0.40210195 -0.06100353 Cu 7.11078402 7.05797557 0.00736419 -0.22455319 0.30745139 -0.40992440 Cu 8.88729340 8.84690402 0.03411690 -0.53727344 -0.46946915 0.45466229 Cu 8.84837304 7.08641449 1.72436239 0.47578806 0.13651187 0.24024364 Cu 7.10673124 8.84425947 1.79392519 -0.10027518 0.31026027 -0.17549464 Cu -0.00543880 -0.02952483 3.54296657 0.32076537 0.33500109 -0.07115001 Cu 1.80744937 1.80213902 3.53380253 -0.25225482 -0.17358355 0.01764783 Cu 1.78378068 0.01226006 5.30818369 -0.12360037 -0.36616616 0.14108117 Cu 0.02901571 1.77922221 5.27858317 -0.34259271 -0.16237151 0.16798470 Cu 3.54380932 0.01537312 3.57302892 0.04703661 -0.41216683 -0.28554804 Cu 5.33975692 1.79888085 3.54288137 -0.14229750 -0.18264633 -0.19199298 Cu 5.33405586 0.01766919 5.33621418 -0.01882431 -0.36116158 -0.01173370 Cu 3.53046128 1.77850185 5.29419652 0.17291316 0.10936050 0.26166973 Cu 7.06936154 0.02972487 3.52379334 0.12360395 -0.41216476 0.12407568 Cu 8.86303417 1.77066004 3.51766445 0.30095863 0.00033648 0.16677896 Cu 8.87249392 0.01024190 5.35943629 -0.24151250 0.23958987 -0.14517475 Cu 7.07932225 1.78586992 5.31441162 0.25272345 -0.06333042 0.07356596 Cu -0.02056935 3.54016474 3.54157596 -0.25724159 -0.01634251 -0.08629370 Cu 1.75353436 5.35197825 3.51277225 0.21058226 -0.29666411 0.07974349 Cu 1.79393842 3.56281699 5.34931076 -0.02823454 -0.01561622 -0.32231171 Cu 0.00822499 5.28371019 5.29339006 -0.32427294 0.21653072 0.09311172 Cu 3.55340959 3.57161390 3.51274433 -0.30081625 -0.08122335 0.17104807 Cu 5.29677453 5.29828786 3.52529686 0.21873529 0.11798927 0.01348107 Cu 5.32026821 3.52137599 5.29023039 -0.12252903 0.11740440 0.34429210 Cu 3.54090320 5.32541157 5.32581218 -0.16578294 -0.13555906 -0.04978906 Cu 7.07588459 3.54780922 3.53344547 0.22005938 0.00145066 -0.11929890 Cu 8.88813506 5.35019328 3.54952909 0.25569845 0.00426730 -0.08288316 Cu 8.88211083 3.56100839 5.30854338 0.22128172 -0.12181796 0.10997838 Cu 7.06993330 5.29466751 5.29009575 0.02766805 0.15396170 0.23929739 Cu 0.02666894 7.07873495 3.51005286 -0.43989936 0.24149757 0.08498988 Cu 1.79889667 8.84223693 3.52864614 -0.17553253 0.34082681 0.02641390 Cu 1.77693643 7.09219652 5.33544695 0.03630207 -0.10528207 -0.04670249 Cu 0.02899948 8.84580959 5.35073373 0.10768233 -0.14464475 -0.13777984 Cu 3.57039765 7.05054898 3.54620071 -0.19662794 0.13374973 -0.10057787 Cu 5.30609005 8.89146159 3.57588176 0.16891288 0.21854578 -0.23698627 Cu 5.28969537 7.05851988 5.29353650 0.44499432 0.21344807 0.19744175 Cu 3.56315478 8.87010772 5.29396583 -0.14888673 0.34403583 0.17563846 Cu 7.06131674 7.08005727 3.52259035 0.10888124 0.04529299 0.08526842 Cu 8.85326913 8.87197521 3.54949804 -0.15400665 -0.30156013 -0.08968593 Cu 8.84916366 7.08828381 5.32850242 0.31673113 -0.00910354 -0.05188271 Cu 7.12058681 8.85710551 5.31494383 -0.21348412 0.23986330 0.08942178 Cu 0.03501020 -0.00967689 7.11543350 0.27054973 0.40103178 -0.14312322 Cu 1.78811730 1.78949394 7.06852275 -0.15856322 -0.16560234 0.25984560 Cu 1.75840891 0.01536887 8.84289027 0.10066968 0.34614786 -0.24577545 Cu -0.00743916 1.77288042 8.86543780 0.41811699 0.09596346 -0.41080769 Cu 3.57388548 0.00559820 7.12234764 -0.21922886 -0.23639160 -0.09065984 Cu 5.34357139 1.76613392 7.10688844 -0.17756057 0.11614863 -0.11630864 Cu 5.30250637 0.03339003 8.85863667 0.14945410 0.08287062 -0.08790070 Cu 3.54997246 1.80726543 8.88116615 -0.07082070 -0.06803675 0.24348977 Cu 7.11399681 -0.03386975 7.07830958 -0.00224367 -0.28071693 0.17625321 Cu 8.83027254 1.75772577 7.11031542 0.45153970 0.03832676 0.03631903 Cu 8.87349017 -0.02479603 8.89636228 -0.55513762 0.54657974 -0.60372531 Cu 7.11615049 1.73949233 8.83529755 0.07076214 0.00161236 0.49437215 Cu -0.01708412 3.54746141 7.06113591 -0.29957400 -0.18608831 0.19107527 Cu 1.77118868 5.29811898 7.13100236 -0.09625581 0.37021313 -0.28490984 Cu 1.78789012 3.57476938 8.85384252 -0.32811450 -0.33535472 0.43439707 Cu -0.02784267 5.28877880 8.84403996 0.18543900 0.11269717 -0.16750888 Cu 3.52243890 3.56422617 7.09642522 0.34305945 -0.28414529 -0.13435167 Cu 5.28557817 5.33338133 7.08408208 0.36210706 -0.09347828 -0.06662638 Cu 5.36857938 3.57797360 8.84490462 -0.16172994 -0.19313166 0.42402888 Cu 3.52039725 5.30293248 8.85024238 0.18175845 0.25421037 0.48598288 Cu 7.08170927 3.52532046 7.10448553 0.16009312 0.20393369 -0.14418094 Cu 8.83206817 5.33767607 7.11487253 0.36626583 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