108 Lattice="10.604304168280503 0.0 0.0 0.0 10.604304168280503 0.0 0.0 0.0 10.604304168280503" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.5257577183384 stress="1.011109964309889 -0.007223192940575274 0.3754705935380809 -0.007223192940575274 0.7868299019460174 -0.006055588723320682 0.3754705935380809 -0.006055588723320682 1.4940727886627716" pbc="F F F" Cu -0.03205267 -0.02033600 -0.03204894 0.66152623 0.64384909 0.65241581 Cu 1.78118338 1.74299459 -0.02404252 -0.19260470 0.24043127 -0.16913873 Cu 1.77144500 0.01949674 1.75594031 -0.20082763 -0.26680892 0.03606662 Cu -0.03012382 1.77668971 1.73527288 -0.02829821 -0.08017121 0.15553654 Cu 3.52666379 0.03005161 -0.02621721 0.17210248 0.11280390 0.31033655 Cu 5.33157564 1.77121136 0.00518409 -0.03119978 -0.00323099 -0.21251858 Cu 5.33088019 -0.02871028 1.80199680 -0.06253324 -0.27234480 -0.33762893 Cu 3.55522066 1.75699288 1.76917259 -0.22177691 0.20625098 0.02725903 Cu 7.03447624 -0.01997511 -0.03515640 0.13592549 0.50665608 0.53737018 Cu 8.85015739 1.79918685 -0.03173641 -0.45392931 -0.18136671 0.43842989 Cu 8.87138134 -0.02666049 1.72931498 -0.45313674 0.47064265 -0.06013633 Cu 7.10420513 1.74921422 1.80012521 -0.33826645 -0.09423662 -0.70131926 Cu -0.01318043 3.54690362 0.01523638 0.27499388 -0.10233880 0.06656004 Cu 1.76480441 5.32322896 -0.03036970 -0.10174799 -0.07441944 -0.28201477 Cu 1.77175519 3.55665268 1.74299353 -0.07708691 -0.50238114 0.09573969 Cu -0.02895754 5.29790029 1.75000821 -0.25750594 0.14323635 0.11148872 Cu 3.53189261 3.57084293 0.02160893 0.08680563 -0.26568162 -0.43426207 Cu 5.29075573 5.33699256 -0.01299958 0.16384431 -0.15200539 -0.31087161 Cu 5.33590364 3.54270736 1.77923184 -0.27874466 -0.19650710 -0.14640692 Cu 3.50001165 5.32071971 1.80008442 0.34903911 -0.14147930 -0.34392761 Cu 7.09681474 3.53236683 -0.02737667 -0.23158699 0.00639737 -0.19622264 Cu 8.84323761 5.27921144 -0.00335857 -0.27251286 0.16616937 0.26333086 Cu 8.81900192 3.51813620 1.76406907 0.55260091 0.14290795 -0.10941184 Cu 7.04542592 5.32350083 1.76729331 0.34243676 -0.14918785 -0.10418129 Cu 0.00536624 7.03727382 -0.02085909 0.33390527 0.15090266 0.46100082 Cu 1.77535167 8.80892013 -0.02043160 0.03171086 -0.37422926 0.49069989 Cu 1.76553855 7.04845253 1.79525367 -0.13481884 0.32215020 -0.17879799 Cu 0.03527479 8.85314419 1.80513465 0.34184980 -0.48595210 -0.09395177 Cu 3.51217331 7.04332935 -0.01934120 0.06285261 0.24339178 -0.13273441 Cu 5.27067388 8.81960369 0.00573344 0.13855198 -0.26637582 0.30793528 Cu 5.31678814 7.03874283 1.79532324 -0.14359282 0.45511979 -0.16571940 Cu 3.54834666 8.85421320 1.78351867 -0.19866130 0.08540276 -0.15750358 Cu 7.07654534 7.10016762 0.00010000 0.09803376 -0.05313215 -0.20710184 Cu 8.85138750 8.86356400 -0.00315251 -0.57543718 -0.64084924 0.66039769 Cu 8.85615166 7.03438628 1.78458462 0.21906661 0.20160186 -0.12168572 Cu 7.09401700 8.84503323 1.78955916 -0.09534083 0.14489796 -0.10030716 Cu -0.02884032 -0.00380768 3.53493051 0.32246911 0.31148000 -0.13440154 Cu 1.74898388 1.76450874 3.56834208 0.19198506 -0.03626201 -0.64479270 Cu 1.73328856 0.00204006 5.32189737 0.30824077 -0.55364071 -0.21245810 Cu 0.03352722 1.79078227 5.28810208 -0.64216687 0.02959116 0.18888761 Cu 3.53008793 -0.03076013 3.52421860 -0.19698516 -0.31928739 0.12826554 Cu 5.27006140 1.73619714 3.54139220 0.29389552 0.42099941 -0.13212017 Cu 5.32858584 0.03244700 5.29689663 -0.13705819 -0.62546460 0.16845275 Cu 3.51789208 1.78752699 5.29787294 0.16864705 -0.27299476 0.03193989 Cu 7.12178812 0.01278083 3.50877393 -0.17099049 -0.71504368 0.12441448 Cu 8.81103010 1.75219606 3.52064432 0.92163092 -0.03846439 0.09921588 Cu 8.84347856 -0.01159996 5.32201748 -0.16701498 0.33734622 0.09403413 Cu 7.07791128 1.74655467 5.28597782 0.06504738 0.35488020 0.29464688 Cu 0.03299332 3.55121175 3.54742123 -0.61612263 -0.11964489 -0.23141321 Cu 1.77818513 5.27464534 3.51674833 -0.21846119 0.46729581 0.23843191 Cu 1.79834357 3.57263478 5.30181012 -0.47313501 -0.19832956 0.34980424 Cu -0.02672517 5.33454743 5.28909172 -0.26083629 -0.09510912 0.33670709 Cu 3.50405007 3.53903767 3.56727281 0.34423953 -0.23670779 -0.48603526 Cu 5.27362176 5.27624226 3.52031708 0.32271324 0.12467351 0.40416979 Cu 5.31681015 3.53363793 5.31545400 -0.04897164 -0.08437118 -0.18717242 Cu 3.51755931 5.29364082 5.33101512 0.07369873 0.30100197 -0.10180085 Cu 7.08940576 3.50790590 3.50156099 -0.36026764 0.28662315 0.48224716 Cu 8.83906874 5.27819015 3.55531404 0.32933425 0.08463940 -0.13853969 Cu 8.85943493 3.53268372 5.28664716 0.16138664 -0.11090541 0.24836425 Cu 7.03843834 5.31272307 5.35026619 0.01869740 -0.11193051 -0.44322068 Cu -0.01397293 7.05168976 3.56495152 -0.33460220 0.16314848 -0.40497311 Cu 1.78683363 8.84952263 3.55034326 -0.06884056 0.35751646 -0.19128424 Cu 1.74285631 7.10315911 5.28170336 0.19192202 -0.32045592 0.30867404 Cu 0.00392225 8.84596786 5.29208972 0.14966756 -0.10860907 0.10971067 Cu 3.54284101 7.05447188 3.54921628 -0.08568257 0.11767370 -0.00959234 Cu 5.29354160 8.86817940 3.53643889 0.18258051 0.18578581 -0.16336141 Cu 5.28610001 7.07247356 5.33155659 0.23168627 -0.15144431 -0.22200818 Cu 3.55823066 8.84555649 5.28474584 -0.25910933 0.51569498 0.17846778 Cu 7.08728502 7.05171521 3.54643201 -0.27284962 0.08206975 -0.08748362 Cu 8.86152619 8.85923112 3.53221508 -0.27171710 -0.31927263 -0.04925343 Cu 8.82590600 7.07202425 5.28165323 0.43752795 0.01481185 0.04977088 Cu 7.05118704 8.83451443 5.27128439 0.09729603 0.33469975 0.27550704 Cu 0.00734404 0.02606197 7.02747842 0.11368888 0.21125294 0.10987973 Cu 1.80140759 1.75463212 7.04995640 -0.38018061 0.30268647 0.14434273 Cu 1.74666951 0.00114311 8.82006592 0.10918372 0.27801337 -0.24930144 Cu 0.02163385 1.76196011 8.80747609 0.21716382 0.10051822 -0.25744106 Cu 3.52179433 0.03512103 7.09251830 0.17236431 -0.60632439 -0.19579117 Cu 5.30662556 1.77890112 7.08176263 0.04842887 -0.21616796 -0.22196556 Cu 5.30113986 -0.00209633 8.84389124 0.04506988 0.15758114 -0.24628063 Cu 3.54222124 1.76924948 8.85225120 -0.03602924 -0.07390562 0.47585031 Cu 7.09802290 0.02299786 7.07797108 -0.05625512 -0.35380023 0.07729148 Cu 8.83534186 1.81785765 7.12057491 0.23640809 -0.20383262 -0.24539601 Cu 8.86083944 0.00293132 8.85766189 -0.57769588 0.58173517 -0.57761902 Cu 7.04709823 1.74381137 8.86656369 0.22663680 0.05316821 0.30442002 Cu -0.02061408 3.53663716 7.06796847 -0.15014667 -0.09979605 -0.09793163 Cu 1.74065782 5.31345506 7.07975000 0.04619763 0.00538760 -0.15753881 Cu 1.79033625 3.50118777 8.83671595 -0.17799333 0.14595906 0.33259157 Cu -0.00227809 5.26791318 8.83263267 0.22495075 0.14211112 -0.18209571 Cu 3.52100026 3.51612159 7.06974850 0.07367335 0.20223045 0.11246038 Cu 5.25145593 5.31346917 7.09303331 0.24540516 0.07098047 0.01691536 Cu 5.33467765 3.51395837 8.80402461 -0.28551263 0.24356848 0.76708339 Cu 3.51152592 5.33199594 8.86399579 0.14365629 -0.18738827 0.27618877 Cu 7.03790325 3.54850741 7.07715018 0.40226262 -0.20804604 -0.21197460 Cu 8.82590205 5.33158816 7.04651129 0.57752302 -0.17011422 0.11534667 Cu 8.81052698 3.55425968 8.84561190 -0.09390137 -0.10523212 -0.14304637 Cu 7.11230865 5.28914442 8.84025623 -0.36053815 0.22419435 0.42646344 Cu -0.01098836 7.12753193 7.10294178 -0.28488325 -0.28218233 -0.17971749 Cu 1.77160258 8.85781372 7.09838145 -0.03812764 0.37304933 -0.18364942 Cu 1.77793598 7.05059343 8.81495196 -0.19969475 0.31757052 0.54426652 Cu -0.02652743 8.86351612 8.82675503 0.59315157 -0.51252780 -0.44697950 Cu 3.50045109 7.09612784 7.05066488 0.03031081 -0.17152428 0.10039766 Cu 5.28044575 8.84161172 7.07279574 0.30224482 0.45343058 -0.13895424 Cu 5.32085178 7.09845625 8.82161179 -0.14060824 -0.27232908 0.48535679 Cu 3.56871270 8.86278286 8.81480461 -0.21108179 -0.23954567 -0.04318510 Cu 7.08044840 7.05895921 7.09975486 -0.16135262 0.24876192 -0.31688460 Cu 8.86825197 8.80999342 7.01002104 -0.46135658 -0.27854861 0.11493397 Cu 8.81382404 7.08817579 8.84584344 -0.16738313 -0.03575475 -0.28976918 Cu 7.04686817 8.82567004 8.82807373 0.13092976 -0.10728658 -0.33879349