64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-50.6747432777 stress="0.03833575070502622 0.008359215256216872 -0.00834384437059076 0.008359215256216872 0.026496269045837295 0.016196489380834074 -0.00834384437059076 0.016196489380834074 0.028114742764633636" pbc="F F F" Cu 0.07359302 -0.03528904 -0.14864068 -1.19114084 -0.97624120 -1.61856833 Cu 1.16529812 0.76964547 1.00979155 1.38187447 0.60930516 1.27321975 Cu 2.17723384 2.18152350 -0.43012937 0.69061257 0.26283625 0.64290208 Cu 4.06577595 3.26626284 1.16445021 -3.88575575 2.07051890 -3.10845099 Cu 2.17191986 -0.29656619 2.75952489 0.95280245 1.19085086 0.49052561 Cu 4.21111631 1.71543266 3.58112972 -1.34765487 -2.20940769 1.60935327 Cu 0.20516443 2.22580090 2.24951222 0.11291489 0.43121635 0.74161147 Cu 1.17291825 3.86138709 3.64878546 -2.25820899 1.02550688 1.18886554 H 4.84526883 -0.14125364 -0.06740373 0.00000000 0.00000000 0.00000000 H 6.64534354 1.32023254 1.36880488 0.88756762 1.87720442 -1.14297049 Cu 7.90429937 2.47975650 0.10299683 -1.42885805 -1.37201137 1.38960329 H 8.71836453 4.10886605 1.48166904 -2.56927610 1.47153540 1.74695190 H 7.45349744 0.03017788 2.93599983 -0.02532951 -0.01819954 -0.01301563 H 9.03876690 1.16921194 3.75059444 0.02532951 0.01819954 0.01301563 Cu 5.02776773 2.80205053 2.31677778 3.76861409 -1.21410902 0.69328205 Cu 6.01917747 3.67837651 4.17311431 0.95227580 -0.16785772 2.09859686 H 0.20378849 4.83654058 -0.47683372 0.00000000 0.00000000 0.00000000 Cu 0.85081233 6.55607962 1.63832738 -0.69614626 0.81763655 -0.80686405 H 2.72703179 7.44148076 0.30033471 0.01065438 0.00508315 -0.00764371 H 4.08976759 8.51128342 1.60430731 1.31959439 -2.24413016 1.01269197 Cu 2.05029493 5.36269865 2.50641920 1.80634500 -1.16636058 -0.25626652 H 4.15944301 6.77685336 4.00238673 0.00000000 0.00000000 0.00000000 Cu -0.16806151 7.87229896 3.00964443 0.17022245 0.61296818 0.47301656 H 0.82623522 8.67472124 3.80114769 -0.40869563 -0.33337763 -0.32924477 H 5.19678949 5.16117615 0.28486626 -3.35818613 -2.83937732 -2.82509715 Cu 5.95946531 5.84840811 0.76994484 3.65765013 4.72753263 3.64200261 Cu 7.93567655 7.96435681 -0.44468729 -0.44518399 0.07118482 2.18792696 H 8.35755643 8.88426568 1.20870784 -0.46589658 -1.02313368 -1.85550485 H 7.50592154 4.79501545 2.29814022 2.61319915 -1.44941388 -1.65650413 H 8.94050869 6.28869194 3.62327817 0.00000000 0.00000000 0.00000000 H 4.96832774 7.09921688 1.91832639 -0.66867354 1.48448491 -2.27588599 H 6.62832058 9.16221134 3.73578387 1.14210548 -1.43800346 1.68247771 H 0.28227015 0.38456266 5.02153045 1.31998107 0.92299337 2.84010460 H 0.89286596 0.85421160 6.42116535 -1.51967456 -0.77351544 -2.69010213 Cu 2.34136491 2.58291814 4.54220907 1.36007942 -0.45690648 1.30816569 Cu 4.19758804 3.52778404 6.38423686 -1.39234688 2.41617966 -4.15967638 H 2.62245546 -0.14406493 7.20925024 1.33948528 1.37798112 0.92895880 Cu 3.81189841 1.07669840 8.04290572 -2.87915714 -3.44934375 0.28703105 Cu -0.32394438 2.03916316 7.89748198 0.77071554 1.05002055 0.30101308 Cu 0.95270003 4.66512707 8.86876467 1.12714523 -1.11836311 -1.35938741 Cu 5.45661874 -0.03040672 4.75512234 0.96059271 1.56544040 1.59287157 H 6.31775667 1.37133246 6.25347944 -2.87365165 0.42814347 0.03503389 H 7.67924184 2.90985097 4.43284785 -1.87949364 0.87118785 -0.28840934 H 8.51741857 4.06098061 6.37069762 -0.23977505 0.16229989 0.32593274 Cu 7.25058087 0.43113249 7.02564792 -0.19230872 -0.40221028 -0.43224288 H 8.46534307 1.49323799 8.82745444 -0.03407051 -0.02771903 -0.04984238 Cu 4.67420956 2.38465067 7.34885626 5.27514536 -1.61384195 0.33182307 H 6.21350480 3.65551208 8.46830078 2.34928499 2.15406463 -1.76639101 H 0.05843055 4.68231943 5.16802525 1.23546179 -0.91256176 -1.68933160 H 1.67620752 5.89981165 6.38412559 0.61977906 2.35162337 -1.69798313 H 2.14634390 7.32540270 5.49568208 0.06554301 -2.04349749 2.33480934 Cu 3.58895030 8.35241932 6.50303581 -0.42688055 -0.70689238 0.12845364 H 2.58709541 4.68895578 7.94742692 -0.08509564 1.74010913 1.42661487 Cu 3.76270000 6.11415287 8.45847981 -1.87541381 -1.51508287 -0.92918269 H 0.08132863 7.74411463 7.50343158 1.17705882 0.84188702 1.77022723 Cu 1.14062452 8.50124925 9.09522213 -1.14596278 -0.85170774 -1.79611259 H 5.49169263 5.08517944 5.21081200 -3.96154272 -4.89539608 -4.33543751 Cu 6.07467618 5.90775423 5.80674320 5.22069594 3.92787775 2.61874458 Cu 7.61709042 7.91718886 5.19255268 -0.75264705 2.01469196 -0.04001595 H 8.92296034 9.10933324 6.16217446 -1.42271524 -1.30701785 -1.04918564 H 7.42869982 4.76041789 7.83114781 -2.48450125 -2.65094018 1.14940256 Cu 9.00215801 6.27342549 8.84331454 0.00939384 0.00657405 0.00420499 Cu 5.41251581 7.04587726 7.21968342 -1.10792876 -0.59517981 -0.07222769 Cu 6.16434928 8.57455733 8.09014791 0.70004769 1.26466123 -0.01789003