The atomic coordinates of the optimized computational models

cu2o_adsoprtion_1
   1.0000000000000000     
    18.1231002807999992    0.0000000000000000    0.0000000000000000
    -9.0616880749999993   15.6949856011000008    0.0000000000000000
     0.0000000000000000    0.0000000000000000   31.0979995727999992
   Cu   O    C    N    H 
   144    72     7     1     7
Direct
  0.1666600000111416  0.0000000000000000  0.1237899999962409   
  0.0555500000184850  0.1111099999911929  0.2030999999924248   
  0.2777799999926245  0.2222199999823857  0.2823999999884634   
  0.1632432272496364 -0.0051007743564893  0.3587751352253016   
  0.0000000000210818  0.1666699999913774  0.1237899999962409   
  0.2222199999953745  0.2777799999825703  0.2030999999924248   
  0.1111100000137384  0.0555600000001846  0.2823999999884634   
  0.0030659683360950  0.1685813787123306  0.3559000576538267   
  0.1666599999770426  0.1666699999913774  0.1237899999962409   
  0.0555499999843931  0.2777799999825703  0.2030999999924248   
  0.2777800000247197  0.0555600000001846  0.2823999999884634   
  0.1712868252946910  0.1644409816865669  0.3563819602882400   
  0.0000000000000000  0.0000000000000000  0.1237899999962409   
  0.2222199999742926  0.1111099999911929  0.2030999999924248   
  0.1111099999816361  0.2222199999823857  0.2823999999884634   
  0.0088191713959659 -0.0385895741228879  0.3581789343231154   
  0.4999999999779305  0.0000000000000000  0.1237899999962409   
  0.3888899999852740  0.1111099999911929  0.2030999999924248   
  0.6111100000147474  0.2222199999823857  0.2823999999884634   
  0.5077902121785191  0.0258669366018491  0.3597031636126264   
  0.3333299999880310  0.1666699999913774  0.1237899999962409   
  0.5555499999623166  0.2777799999825703  0.2030999999924248   
  0.4444399999806805  0.0555600000001846  0.2823999999884634   
  0.3275396148946507  0.1595333574750559  0.3582481191634821   
  0.4999999999990123  0.1666699999913774  0.1237899999962409   
  0.3888900000063558  0.2777799999825703  0.2030999999924248   
  0.6111099999916689  0.0555600000001846  0.2823999999884634   
  0.5091532007058577  0.1852344992028533  0.3625807612002230   
  0.3333300000221229  0.0000000000000000  0.1237899999962409   
  0.5555499999964155  0.1111099999911929  0.2030999999924248   
  0.4444400000037589  0.2222199999823857  0.2823999999884634   
  0.3768223776646624  0.0474668010415120  0.3578385831842997   
  0.8333300000000534  0.0000000000000000  0.1237899999962409   
  0.7222200000073968  0.1111099999911929  0.2030999999924248   
  0.9444399999816895  0.2222199999823857  0.2823999999884634   
  0.8466717145996402  0.0047278393060741  0.3600547157015260   
  0.6666600000101539  0.1666699999913774  0.1237899999962409   
  0.8888899999842863  0.2777799999825703  0.2030999999924248   
  0.7777800000026502  0.0555600000001846  0.2823999999884634   
  0.6701317615689565  0.1754792583024898  0.3575357008912696   
  0.8333300000211352  0.1666699999913774  0.1237899999962409   
  0.7222199999733050  0.2777799999825703  0.2030999999924248   
  0.9444400000137918  0.0555600000001846  0.2823999999884634   
  0.8385668912278171  0.1616398055278783  0.3588390453882571   
  0.6666599999890650  0.0000000000000000  0.1237899999962409   
  0.8888900000183853  0.1111099999911929  0.2030999999924248   
  0.7777799999705479  0.2222199999823857  0.2823999999884634   
  0.7125566734529549  0.0055097489793733  0.3585385520923121   
  0.1666600000001210  0.3333299999735786  0.1237899999962409   
  0.0555500000054749  0.4444499999739477  0.2030999999924248   
  0.2777800000114681  0.5555600000288550  0.2823999999884634   
  0.1768597189940998  0.3459518056588236  0.3592924581757720   
  0.9999999999867484  0.5000000000286704  0.1237899999962409   
  0.2222200000162147  0.6111100000198633  0.2030999999924248   
  0.1111100000027179  0.3888899999737632  0.2823999999884634   
  0.9909077042215275  0.5054190291728575  0.3626899406093100   
  0.1666599999978828  0.5000000000286704  0.1237899999962409   
  0.0555500000052334  0.6111100000198633  0.2030999999924248   
  0.2777799999585255  0.3888899999737632  0.2823999999884634   
  0.1588593930874300  0.4987660110923279  0.3587465630831249   
  0.9999999999889866  0.3333299999735786  0.1237899999962409   
  0.2222199999612826  0.4444499999739477  0.2030999999924248   
  0.1111100000004868  0.5555600000288550  0.2823999999884634   
  0.0003654951391072  0.3748777170283006  0.3587481915337834   
  0.4999999999669100  0.3333299999735786  0.1237899999962409   
  0.3888899999722639  0.4444499999739477  0.2030999999924248   
  0.6111100000335909  0.5555600000288550  0.2823999999884634   
  0.4957843260658628  0.3451012543563878  0.3621108178664276   
  0.3333300000088713  0.5000000000286704  0.1237899999962409   
  0.5555499999831639  0.6111100000198633  0.2030999999924248   
  0.4444399999696671  0.3888899999737632  0.2823999999884634   
  0.3283915152077750  0.5114893516907683  0.3592749025425164   
  0.5000000000198526  0.5000000000286704  0.1237899999962409   
  0.3888900000272031  0.6111100000198633  0.2030999999924248   
  0.6111099999806484  0.3888899999737632  0.2823999999884634   
  0.4908382158283603  0.5038858489702907  0.3568014433970886   
  0.3333300000111095  0.3333299999735786  0.1237899999962409   
  0.5555499999834055  0.4444499999739477  0.2030999999924248   
  0.4444400000226096  0.5555600000288550  0.2823999999884634   
  0.3345938359114239  0.3801580049123335  0.3576306639721918   
  0.8333299999890329  0.3333299999735786  0.1237899999962409   
  0.7222199999943868  0.4444499999739477  0.2030999999924248   
  0.9444400000005402  0.5555600000288550  0.2823999999884634   
  0.8426614165476941  0.3405611200789789  0.3598732126953059   
  0.6666600000309941  0.5000000000286704  0.1237899999962409   
  0.8888900000051265  0.6111100000198633  0.2030999999924248   
  0.7777799999916368  0.3888899999737632  0.2823999999884634   
  0.6511878538735408  0.4957209524200217  0.3604088975838901   
  0.8333299999868018  0.5000000000286704  0.1237899999962409   
  0.7222199999941452  0.6111100000198633  0.2030999999924248   
  0.9444400000027713  0.3888899999737632  0.2823999999884634   
  0.8259380903785412  0.4937882264461991  0.3615695716603028   
  0.6666599999780516  0.3333299999735786  0.1237899999962409   
  0.8888900000053752  0.4444499999739477  0.2030999999924248   
  0.7777799999893986  0.5555600000288550  0.2823999999884634   
  0.6327594964733562  0.3464564870179779  0.3590173988554586   
  0.1666600000189717  0.6666700000200478  0.1237899999962409   
  0.0555500000263152  0.7777800000112407  0.2030999999924248   
  0.2777800000004547  0.8888900000024336  0.2823999999884634   
  0.1747419420925895  0.6752130502939666  0.3580539553219089   
  0.9999999999757279  0.8333300000022490  0.1237899999962409   
  0.2222200000032046  0.9444500000026181  0.2030999999924248   
  0.1111100000235652  0.7222200000110561  0.2823999999884634   
 -0.0009019524865883  0.8210218384784577  0.3629965757295376   
  0.1666599999868694  0.8333300000022490  0.1237899999962409   
  0.0555499999922233  0.9444500000026181  0.2030999999924248   
  0.2777799999793658  0.7222200000110561  0.2823999999884634   
  0.1778826431810873  0.8294316084491867  0.3572314455340725   
  0.0000000000078302  0.6666700000200478  0.1237899999962409   
  0.2222199999821228  0.7777800000112407  0.2030999999924248   
  0.1111099999894662  0.8888900000024336  0.2823999999884634   
 -0.0402791106327845  0.6329046657067988  0.3595150601357953   
  0.4999999999857607  0.6666700000200478  0.1237899999962409   
  0.3888899999931041  0.7777800000112407  0.2030999999924248   
  0.6111100000225775  0.8888900000024336  0.2823999999884634   
  0.5047893299162060  0.6899386656337774  0.3577143719748461   
  0.3333299999978507  0.8333300000022490  0.1237899999962409   
  0.5555500000253275  0.9444500000026181  0.2030999999924248   
  0.4444399999905073  0.7222200000110561  0.2823999999884634   
  0.3453388310811283  0.8408561233968330  0.3593798947900072   
  0.5000000000088392  0.8333300000022490  0.1237899999962409   
  0.3888900000141930  0.9444500000026181  0.2030999999924248   
  0.6111100000014886  0.7222200000110561  0.2823999999884634   
  0.5153393853388071  0.8524406754878058  0.3607747224667613   
  0.3333300000299531  0.6666700000200478  0.1237899999962409   
  0.5555500000042457  0.7777800000112407  0.2030999999924248   
  0.4444400000115891  0.8888900000024336  0.2823999999884634   
  0.3775793901994136  0.7199439985473269  0.3570354720770328   
  0.8333300000078836  0.6666700000200478  0.1237899999962409   
  0.7222200000152270  0.7777800000112407  0.2030999999924248   
  0.9444399999895197  0.8888900000024336  0.2823999999884634   
  0.8362150099185022  0.6622685906307688  0.3593008535868730   
  0.6666600000199736  0.8333300000022490  0.1237899999962409   
  0.8888899999921165  0.9444500000026181  0.2030999999924248   
  0.7777800000124770  0.7222200000110561  0.2823999999884634   
  0.6766343834478704  0.8466679087242287  0.3578172684509895   
  0.8333299999757813  0.8333300000022490  0.1237899999962409   
  0.7222199999811352  0.9444500000026181  0.2030999999924248   
  0.9444400000236115  0.7222200000110561  0.2823999999884634   
  0.8521921297200338  0.8337498630442319  0.3576812911767840   
  0.6666599999968952  0.6666700000200478  0.1237899999962409   
  0.8888900000262154  0.7777800000112407  0.2030999999924248   
  0.7777799999783781  0.8888900000024336  0.2823999999884634   
  0.6790695562646387  0.6717446711604196  0.3624342538383286   
  0.2222199999742926  0.1111099999911929  0.1436200000113956   
  0.1111099999816361  0.2222199999823857  0.2229200000074414   
  0.0000000000000000  0.0000000000000000  0.3022300000036253   
  0.2186065515643268  0.1040775464775733  0.3796047857452378   
  0.1111099999816361  0.2222199999823857  0.1039700000133763   
  0.0000000000000000  0.0000000000000000  0.1832700000094221   
  0.2222199999742926  0.1111099999911929  0.2625800000055989   
  0.1199299937296034  0.2298499287816530  0.3429639723730531   
  0.5555499999964155  0.1111099999911929  0.1436200000113956   
  0.4444400000037589  0.2222199999823857  0.2229200000074414   
  0.3333300000221229  0.0000000000000000  0.3022300000036253   
  0.5659107806711881  0.1331984000558590  0.3837633257387042   
  0.4444400000037589  0.2222199999823857  0.1039700000133763   
  0.3333300000221229  0.0000000000000000  0.1832700000094221   
  0.5555499999964155  0.1111099999911929  0.2625800000055989   
  0.4424942888656879  0.2316240943243602  0.3432205254023500   
  0.8888900000183853  0.1111099999911929  0.1436200000113956   
  0.7777799999705479  0.2222199999823857  0.2229200000074414   
  0.6666699999889119  0.0000000000000000  0.3022300000036253   
  0.8979337707011479  0.1131151768703788  0.3818236079702508   
  0.7777699999707011  0.2222199999823857  0.1039700000133763   
  0.6666599999890650  0.0000000000000000  0.1832700000094221   
  0.8888900000183853  0.1111099999911929  0.2625800000055989   
  0.7857194383996918  0.2249460366550477  0.3430439336909599   
  0.2222199999612826  0.4444499999739477  0.1436200000113956   
  0.1111100000004868  0.5555600000288550  0.2229200000074414   
  0.9999999999889866  0.3333299999735786  0.3022300000036253   
  0.2205186638252917  0.4536530789374152  0.3825121564449471   
  0.1111100000004868  0.5555600000288550  0.1039700000133763   
  0.9999999999889866  0.3333299999735786  0.1832700000094221   
  0.2222199999612826  0.4444499999739477  0.2625800000055989   
  0.1049180011356067  0.5604219165300740  0.3430906972216533   
  0.5555499999834055  0.4444499999739477  0.1436200000113956   
  0.4444400000226096  0.5555600000288550  0.2229200000074414   
  0.3333300000111095  0.3333299999735786  0.3022300000036253   
  0.5443298354953581  0.4531259686093389  0.3843273187152288   
  0.4444400000226096  0.5555600000288550  0.1039700000133763   
  0.3333300000111095  0.3333299999735786  0.1832700000094221   
  0.5555499999834055  0.4444499999739477  0.2625800000055989   
  0.4437926153904854  0.5727304793193043  0.3422743152412723   
  0.8888900000053752  0.4444499999739477  0.1436200000113956   
  0.7777799999893986  0.5555600000288550  0.2229200000074414   
  0.6666699999778984  0.3333299999735786  0.3022300000036253   
  0.8831175168759211  0.4450137042986331  0.3862305549091897   
  0.7777699999895518  0.5555600000288550  0.1039700000133763   
  0.6666599999780516  0.3333299999735786  0.1832700000094221   
  0.8888900000053752  0.4444499999739477  0.2625800000055989   
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  0.0000000000078302  0.6666700000200478  0.3022300000036253   
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  0.1121061865667099  0.8794821486967930  0.3430516600847452   
  0.5555500000042457  0.7777800000112407  0.1436200000113956   
  0.4444400000115891  0.8888900000024336  0.2229200000074414   
  0.3333300000299531  0.6666700000200478  0.3022300000036253   
  0.5696504069930348  0.7974690147576290  0.3814943505583727   
  0.4444400000115891  0.8888900000024336  0.1039700000133763   
  0.3333300000299531  0.6666700000200478  0.1832700000094221   
  0.5555500000042457  0.7777800000112407  0.2625800000055989   
  0.4591893026727068  0.9105621158995184  0.3427720747367849   
  0.8888900000262154  0.7777800000112407  0.1436200000113956   
  0.7777799999783781  0.8888900000024336  0.2229200000074414   
  0.6666699999967420  0.6666700000200478  0.3022300000036253   
  0.8904533080902826  0.7679063138308959  0.3854048452613614   
  0.7777699999785384  0.8888900000024336  0.1039700000133763   
  0.6666599999968952  0.6666700000200478  0.1832700000094221   
  0.8888900000262154  0.7777800000112407  0.2625800000055989   
  0.7917716787768811  0.8900802583350336  0.3427011303106320   
  0.4378124362862182  0.5666604313818459  0.4510293196196609   
  0.4082976765056280  0.6205241568432220  0.4652585969697552   
  0.4663833357770144  0.7046089416316764  0.4769923566026108   
  0.5536214339112914  0.7349027977293370  0.4742248401408327   
  0.5834802085271350  0.6822991699064632  0.4577712493102924   
  0.5250085682989666  0.5974265649636584  0.4465503418196253   
  0.6747923377067913  0.7164275733117691  0.4528045997623041   
  0.7103289564924432  0.7019178049710798  0.4201620342494188   
  0.3925166065283920  0.5005335111262211  0.4428021428542926   
  0.3399204361322408  0.5964191435161407  0.4674688747654138   
  0.4434884268865236  0.7466614933453475  0.4881012407798472   
  0.5990513973609222  0.8006855907729423  0.4829243452567027   
  0.5482264441470933  0.5553885231739455  0.4355692867046916   
  0.7162376495152869  0.7580094126651156  0.4785589126154975   
  0.7754139134847288  0.7288730240239315  0.4233903265835574   



cu2o_adsoprtion_2 
   1.0000000000000000     
    18.1231002807999992    0.0000000000000000    0.0000000000000000
    -9.0616880749999993   15.6949856011000008    0.0000000000000000
     0.0000000000000000    0.0000000000000000   31.0979995727999992
   Cu   O    C    N    H 
   144    72     7     1     7
Direct
  0.1666600000111416  0.0000000000000000  0.1237899999962409  
  0.0555500000184850  0.1111099999911929  0.2030999999924248  
  0.2777799999926245  0.2222199999823857  0.2823999999884634  
  0.1751390602854195  0.0257788855041327  0.3593702780396150  
  0.0000000000210818  0.1666699999913774  0.1237899999962409  
  0.2222199999953745  0.2777799999825703  0.2030999999924248  
  0.1111100000137384  0.0555600000001846  0.2823999999884634  
  0.0044527956281823  0.1694924221899860  0.3570623967520398  
  0.1666599999770426  0.1666699999913774  0.1237899999962409  
  0.0555499999843931  0.2777799999825703  0.2030999999924248  
  0.2777800000247197  0.0555600000001846  0.2823999999884634  
  0.1806500974304686  0.1864559956237278  0.3618003427095648  
  0.0000000000000000  0.0000000000000000  0.1237899999962409  
  0.2222199999742926  0.1111099999911929  0.2030999999924248  
  0.1111099999816361  0.2222199999823857  0.2823999999884634  
  0.0461622037853490  0.0531990705941595  0.3565328824251288  
  0.4999999999779305  0.0000000000000000  0.1237899999962409  
  0.3888899999852740  0.1111099999911929  0.2030999999924248  
  0.6111100000147474  0.2222199999823857  0.2823999999884634  
  0.5128925314064171 -0.0070445492844011  0.3617455053410996  
  0.3333299999880310  0.1666699999913774  0.1237899999962409  
  0.5555499999623166  0.2777799999825703  0.2030999999924248  
  0.4444399999806805  0.0555600000001846  0.2823999999884634  
  0.3414036071686404  0.1751288386709181  0.3598635720809658  
  0.4999999999990123  0.1666699999913774  0.1237899999962409  
  0.3888900000063558  0.2777799999825703  0.2030999999924248  
  0.6111099999916689  0.0555600000001846  0.2823999999884634  
  0.5063303306678073  0.1499511459535488  0.3597259595452248  
  0.3333300000221229  0.0000000000000000  0.1237899999962409  
  0.5555499999964155  0.1111099999911929  0.2030999999924248  
  0.4444400000037589  0.2222199999823857  0.2823999999884634  
  0.3795368039087512 -0.0033482647746981  0.3573296734804284  
  0.8333300000000534  0.0000000000000000  0.1237899999962409  
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cu2o_adsoprtion_2_-1H 
   1.000
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   Cu   O    C    N    H 
  144   72    7    1    6
Cartesian
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cu2o_adsoprtion_2_-2H
   1.000
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   Cu   O    C    N    H 
  144   72    7    1    5
Cartesian
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