1372 Lattice="25.120750361868915 0.0 0.0 0.0 25.120750361868915 0.0 0.0 0.0 25.120750361868915" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4544.888903945742 stress="-76.82040299597679 4.327809343120215 4.063043643412087 4.327809343120215 -77.32032220283844 2.7871977634820837 4.063043643412087 2.7871977634820837 -75.57528900583304" pbc="F F F" Cu -0.03191302 0.02873807 -0.02928200 0.74122112 0.70487285 0.71539830 Cu 1.82662435 1.82835585 -0.01463740 -0.34119240 -0.27558851 0.12745577 Cu 1.82097997 0.01195803 1.78709969 -0.39269500 0.16027122 -0.33316821 Cu -0.01255939 1.81827259 1.78482980 0.28641731 -0.21928454 -0.22243366 Cu 3.58775909 -0.00679149 -0.01667590 0.03878995 0.48036193 0.47957815 Cu 5.39687361 1.80033012 -0.01457862 -0.15707471 -0.24917687 0.06272133 Cu 5.40728211 0.01310038 1.80141394 -0.14683681 0.00855909 -0.24783918 Cu 3.56987956 1.81004544 1.78112294 0.22016847 -0.40454372 -0.25460248 Cu 7.16318240 0.00747148 -0.02985830 0.10864872 0.46692398 0.51087680 Cu 8.99281390 1.79906278 -0.03080980 -0.12095515 -0.20995558 0.20138487 Cu 8.99256070 -0.01809971 1.80433124 -0.20055293 0.27732720 -0.13001307 Cu 7.14631504 1.82997953 1.77185869 0.36101121 -0.61985211 -0.05175811 Cu 10.71442786 0.00535183 -0.02613001 0.16602567 0.34739753 0.40275329 Cu 12.58884495 1.79445518 0.03228664 -0.35242520 -0.18071163 -0.17442774 Cu 12.57517186 -0.00712103 1.77845839 -0.14881004 -0.04626922 0.05425687 Cu 10.80028019 1.73663134 1.76796605 -0.31549620 0.11970734 0.09870178 Cu 14.32256410 0.01804548 0.01318366 0.18284483 0.23475532 0.25101865 Cu 16.15190612 1.77353932 0.01539379 -0.00961847 -0.12194864 0.08066563 Cu 16.14417477 -0.02618054 1.80926765 -0.01810162 0.14663459 -0.19177997 Cu 14.32491990 1.77492016 1.76934624 0.19715987 -0.14593411 0.21732461 Cu 17.94870244 0.00144380 0.00203444 -0.01027592 0.42456789 0.46404460 Cu 19.70761961 1.82077931 0.01023891 0.13455118 -0.29574222 0.02186316 Cu 19.75361178 -0.00646186 1.78560744 -0.09254498 0.11559537 -0.17481085 Cu 17.93299895 1.82001091 1.80550984 0.05622541 -0.35189507 -0.22756971 Cu 21.53127652 -0.03415720 0.00550664 -0.00052887 0.67406897 0.51317962 Cu 23.32918629 1.81935170 -0.01413904 -0.51785210 -0.18827938 0.53890441 Cu 23.31123641 -0.01185085 1.74625962 -0.54535663 0.58619357 0.05626805 Cu 21.50017367 1.82367938 1.79556932 0.36653837 -0.56360970 -0.25073094 Cu 0.00985925 3.59381994 -0.02560857 0.39213111 -0.04300560 0.44777135 Cu 1.80840228 5.34847315 0.01319837 -0.19804677 0.19512626 -0.08130705 Cu 1.81959153 3.61691142 1.76900707 -0.43663388 -0.19170631 -0.11561342 Cu 0.00662810 5.39853531 1.78838986 0.02112235 -0.17191355 -0.18376301 Cu 3.63722584 3.60199470 0.03564534 -0.21503766 -0.07649714 -0.30345680 Cu 5.35156552 5.39212689 0.00675150 0.25896319 -0.16591332 -0.15204318 Cu 5.35365924 3.55998738 1.82426367 0.22768723 0.21152174 -0.34954425 Cu 3.61778645 5.41051892 1.81014104 -0.17503659 -0.19921345 -0.26286232 Cu 7.16879281 3.54676098 0.03729816 0.01313646 0.27773166 -0.25090734 Cu 8.95845577 5.38981961 -0.01843479 0.01873799 -0.12103387 0.10145791 Cu 8.96072676 3.55425782 1.77678693 0.11774206 0.21603407 0.02171564 Cu 7.15378809 5.37287560 1.79618737 0.21441695 -0.14306226 -0.17785616 Cu 10.75618421 3.60476834 0.02094314 0.13511315 -0.07973429 -0.01078268 Cu 12.58753303 5.39381079 -0.03208362 -0.13138062 -0.09592213 0.22532743 Cu 12.56616887 3.56961753 1.82841925 -0.14834148 0.23231895 -0.27009914 Cu 10.74803118 5.35938593 1.80704280 0.14504054 0.13347662 -0.22336982 Cu 14.32466799 3.52826385 0.03579247 0.19693124 0.33965874 -0.22912863 Cu 16.15831481 5.40200876 0.03952019 -0.07357709 -0.17247298 -0.20615078 Cu 16.12180551 3.59808451 1.80216393 0.18564232 -0.05040002 -0.16371369 Cu 14.36555514 5.36652931 1.76672877 -0.23244828 0.15559847 0.07012467 Cu 17.92139362 3.57437498 0.02157142 0.01156373 0.06560250 -0.12887069 Cu 19.73910170 5.35879279 -0.01394951 0.09627569 0.15149531 0.03631771 Cu 19.75807273 3.62058915 1.78129903 -0.05847656 -0.23341659 -0.02115882 Cu 17.97030593 5.35263768 1.77654263 -0.25957374 0.32883269 0.00287426 Cu 21.56277119 3.55604151 0.02034637 -0.00317884 0.25605897 -0.11495493 Cu 23.33981407 5.38819716 -0.02616131 -0.53465585 -0.04227304 0.61174700 Cu 23.27742023 3.55948707 1.80820778 0.19660848 0.22050369 -0.28405272 Cu 21.50410806 5.38634296 1.82705372 0.48165742 0.11872427 -0.46607289 Cu 0.00658937 7.20640767 0.00420463 0.42496955 -0.10701988 0.38129115 Cu 1.80673029 8.95638874 0.01315302 -0.12931152 0.05440743 -0.12299235 Cu 1.82023569 7.16738868 1.78543353 -0.32140567 0.05180287 -0.19148895 Cu 0.03400882 9.00553580 1.77145202 -0.16265093 -0.28409111 -0.12049123 Cu 3.56788223 7.16671993 -0.00664202 0.08832120 0.05707695 -0.14375366 Cu 5.39016985 8.99981270 -0.00873025 0.06213480 -0.21638042 0.01003010 Cu 5.37171904 7.14157690 1.73573555 0.16042632 0.37642470 0.22759957 Cu 3.61836373 8.96549483 1.75484165 -0.20919803 -0.09833094 0.12514497 Cu 7.17304193 7.16221553 0.02779766 0.04355811 0.06767302 -0.20359281 Cu 8.94699781 8.98766398 0.04348880 0.19783286 -0.22770738 -0.17964182 Cu 8.95376524 7.14294812 1.80225467 0.30788269 0.12248885 -0.30321000 Cu 7.19951835 8.93615778 1.82758238 -0.24663834 0.25337981 -0.28456572 Cu 10.77662270 7.15194393 -0.01889042 -0.10082473 0.06928202 0.13558295 Cu 12.59545997 8.94313347 -0.01281905 -0.17973981 0.14033905 0.00392185 Cu 12.52768173 7.20164541 1.79912870 0.19421061 -0.31766049 -0.23100569 Cu 10.78499218 8.99213680 1.77260426 -0.16636189 -0.18709886 -0.15689275 Cu 14.37551043 7.17925322 0.01993680 -0.17394044 -0.04892952 -0.09802196 Cu 16.12728467 8.94445588 0.02765494 0.12692857 0.14555701 -0.16094870 Cu 16.12805219 7.20653314 1.76740223 0.38478135 -0.30325091 0.19814690 Cu 14.33247659 8.95222652 1.80492132 0.10685264 0.23330503 -0.09590285 Cu 17.94269452 7.15470767 -0.03164948 0.07630999 0.15827461 0.18689597 Cu 19.72179358 9.01782282 -0.00870468 0.12951268 -0.17526667 0.13282312 Cu 19.71001813 7.18515732 1.82674859 0.13368016 -0.12264729 -0.55857460 Cu 17.93096695 8.99321521 1.80490708 0.17471918 -0.20119214 -0.30489288 Cu 21.56483340 7.18723512 0.04070236 -0.09872226 -0.10318129 -0.01229886 Cu 23.29297282 8.99726123 0.01503028 -0.29183958 -0.09568489 0.30332757 Cu 23.35738287 7.19219710 1.79983030 -0.20972675 -0.10814317 -0.08203806 Cu 21.50901907 8.94678197 1.80612310 0.30741017 0.25337999 -0.33736216 Cu 0.01980791 10.72970421 -0.02770738 0.42249825 0.08420420 0.41942441 Cu 1.76688690 12.56224501 -0.00995441 0.07724730 -0.02569663 0.14294705 Cu 1.81876356 10.73359461 1.81249891 -0.20270731 0.27676845 -0.51567270 Cu 0.05253207 12.55207407 1.77579468 -0.19327069 -0.01745855 -0.16513116 Cu 3.59713945 10.73659651 -0.00190394 -0.04696047 0.26125881 -0.03403657 Cu 5.34993168 12.59898851 -0.02624427 0.16458715 -0.20597433 0.22197974 Cu 5.35347984 10.73062206 1.82933617 0.37752538 0.32496492 -0.51961839 Cu 3.61956667 12.57183228 1.80150019 -0.33257774 -0.13621867 -0.40162214 Cu 7.17947445 10.73353210 0.00417393 -0.15309159 0.22907939 0.00205009 Cu 8.95984119 12.58310068 0.03142405 0.11937875 -0.09193661 -0.20158595 Cu 8.95393242 10.75920351 1.75480058 0.23104182 0.00280482 0.13679662 Cu 7.20739659 12.53818006 1.78774105 -0.34656817 0.12426107 -0.15758186 Cu 10.80043704 10.78073984 -0.01081930 -0.16946286 -0.10011172 -0.00653252 Cu 12.54601731 12.54354860 -0.01534534 0.02587041 0.06411946 0.10442715 Cu 12.53613170 10.76508312 1.82821700 0.23879041 0.00128866 -0.36985055 Cu 10.74480983 12.53991207 1.81620000 0.23849380 0.08749900 -0.38899394 Cu 14.36238817 10.74644609 0.05483209 -0.08922435 0.10121775 -0.18626808 Cu 16.11747585 12.57775252 0.00710417 0.15627728 -0.08836494 -0.02338244 Cu 16.16842333 10.78836859 1.78921558 -0.15297558 -0.08906986 -0.08435320 Cu 14.31954982 12.56846388 1.75349023 0.23777596 -0.06539921 0.27318075 Cu 17.90001953 10.74421848 -0.01584081 0.11998893 0.21214089 0.07527582 Cu 19.73587163 12.56948869 0.03166768 0.09141799 -0.10535219 -0.11482719 Cu 19.71448078 10.79179075 1.80909359 0.33696057 -0.13863873 -0.36688620 Cu 17.96915661 12.58422038 1.80839377 -0.16392468 -0.07069639 -0.31407160 Cu 21.56786285 10.79957424 -0.03296126 -0.06761360 -0.03776224 0.29361663 Cu 23.35777259 12.58436048 -0.03381504 -0.52876929 -0.01482493 0.54241840 Cu 23.34262045 10.73942231 1.76361992 -0.19009753 0.17012993 0.00576047 Cu 21.55896553 12.57468432 1.81593170 0.14709240 -0.13984988 -0.41789435 Cu -0.01939374 14.38813326 -0.00255372 0.46769494 -0.04547570 0.39227176 Cu 1.80237534 16.17552244 0.01994285 -0.19751310 -0.07371748 -0.04618969 Cu 1.78184527 14.37924144 1.78779710 -0.16462091 -0.15250400 -0.20774021 Cu 0.00799553 16.13958488 1.78610182 -0.03560147 0.10542162 -0.02644841 Cu 3.56059244 14.37044955 0.05061152 0.16411308 -0.02190253 -0.22311330 Cu 5.40866047 16.14174229 -0.01506569 -0.15740413 0.10544413 0.09290626 Cu 5.40539764 14.37316811 1.82660161 -0.21128071 -0.06900433 -0.45738611 Cu 3.56831158 16.17002131 1.80133592 0.13839816 -0.03347424 -0.13032263 Cu 7.15481456 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3.57801279 23.35811277 1.82061397 -0.11956919 -0.17972282 -0.25336120 Cu 7.14648436 21.52925679 -0.02506139 0.21559129 0.17663844 0.15760994 Cu 8.97752804 23.34741935 -0.02547763 -0.03831818 -0.56858731 0.52576375 Cu 8.98695652 21.49785457 1.78239898 -0.28087673 0.44092095 -0.13202730 Cu 7.14643613 23.32107133 1.76085978 0.24962160 -0.08378710 0.01126127 Cu 10.74154499 21.50910986 -0.01874049 0.13663317 0.22390655 0.18329181 Cu 12.54237144 23.34524025 0.02301156 0.00965921 -0.52700607 0.38619537 Cu 12.59782126 21.53576227 1.78550003 -0.33678633 0.04521159 -0.11762737 Cu 10.73987569 23.27757456 1.79549231 0.13714959 0.07891140 -0.20916412 Cu 14.37624186 21.49627471 0.03519140 -0.18156577 0.25956022 -0.24303565 Cu 16.12758305 23.29760527 0.02727268 0.11123842 -0.20177656 0.18830834 Cu 16.14442991 21.56631100 1.81001802 0.03632079 -0.01202739 -0.13402625 Cu 14.36356766 23.28622929 1.76227170 -0.08887145 0.14138896 0.18342794 Cu 17.90751004 21.51943669 -0.00989358 0.11892376 0.25736111 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