The atomic coordinates of the optimized computational models

co3o4_adsoprtion_1
   1.0000000000000000     
    19.8549995422000016    0.0000000000000000    0.0000000000000000
    -6.6183191679000002   21.9505538915000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000   26.3101005553999983
   Co   O    C    N    H 
   136   192     7     1     7
Direct
  0.8636399999928273  0.3409099999931087  0.1146500000122899   
  0.5909100000110215  0.0227300000021060  0.2075499999896167   
  0.3255784671695396  0.2072786177880069  0.2961821258538476   
  0.6818200000104326  0.0454499999832052  0.0914300000083514   
  0.4090899999795425  0.2272700000035925  0.1843199999858882   
  0.1363599999838314  0.4090899999784199  0.2772100000014248   
  0.8636399999921878  0.0909099999874172  0.1146500000122899   
  0.5909100000116609  0.2727300000077975  0.2075499999896167   
  0.3201808687085985  0.4542456442208057  0.3034504994702320   
  0.6818200000110721  0.2954499999888966  0.0914300000083514   
  0.4090899999801820  0.4772700000092840  0.1843199999858882   
  0.1363599999983762  0.1590900000182813  0.2772100000014248   
  0.3636399999978650  0.3409099999931087  0.1146500000122899   
  0.0909100000160592  0.0227300000021060  0.2075499999896167   
  0.8294357571271570  0.2078047997079618  0.2945328565582482   
  0.1818200000154633  0.0454499999832052  0.0914300000083514   
  0.9090900000248681  0.2272700000035925  0.1843199999858882   
  0.6363599999787937  0.4090899999784199  0.2772100000014248   
  0.3636399999972255  0.0909099999874172  0.1146500000122899   
  0.0909100000166987  0.2727300000077975  0.2075499999896167   
  0.8286143493844913  0.4566676926996480  0.2944120915553429   
  0.1818200000161028  0.2954499999888966  0.0914300000083514   
  0.9090900000255075  0.4772700000092840  0.1843199999858882   
  0.6363599999933385  0.1590900000182813  0.2772100000014248   
  0.0227300000095028  0.3181799999910027  0.1030399999913172   
  0.7500000000176286  0.0000000000000000  0.1959300000068609   
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  0.2147920783147349  0.3029395093426317  0.2913445327954921   
  0.0227300000088633  0.0681799999853112  0.1030399999913172   
  0.7500000000182681  0.2500000000056914  0.1959300000068609   
  0.4773459254528121  0.4336878145686728  0.2899576286905217   
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  0.7500000000103526  0.1249999999800693  0.1959300000068609   
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  0.1363599999838314  0.4090899999784199  0.1494899999989840   
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  0.4999999999883258  0.3749999999857607  0.1959300000068609   
  0.2203605099986570  0.0550512110719947  0.2910123730760903   
  0.5227300000044650  0.3181799999910027  0.1030399999913172   
  0.2500000000226663  0.0000000000000000  0.1959300000068609   
  0.9784192156913651  0.1845924627361011  0.2901232854219376   
  0.5227300000117410  0.1931800000109334  0.1030399999913172   
  0.2500000000160298  0.3749999999857607  0.1959300000068609   
  0.9734712842860527  0.0533750936016893  0.2920621337691477   
  0.6363599999933385  0.1590900000182813  0.1494899999989840   
  0.3636399999978650  0.3409099999931087  0.2423800000145278   
  0.2727299999897141  0.4431800000166319  0.1030399999913172   
  0.9999999999927240  0.1249999999800693  0.1959300000068609   
  0.7141009019819284  0.3035672290478632  0.2917518558219344   
  0.5227300000038255  0.0681799999853112  0.1030399999913172   
  0.2500000000233058  0.2500000000056914  0.1959300000068609   
  0.9768498490138394  0.4329648542689240  0.2880258184320746   
  0.5227300000123805  0.4431800000166319  0.1030399999913172   
  0.2500000000153904  0.1249999999800693  0.1959300000068609   
  0.9780691447849560  0.3059413686715149  0.2903821439000580   
  0.6363599999787937  0.4090899999784199  0.1494899999989840   
  0.3636399999972255  0.0909099999874172  0.2423800000145278   
  0.2727299999890747  0.1931800000109334  0.1030399999913172   
  0.9999999999933635  0.3749999999857607  0.1959300000068609   
  0.7206397631373965  0.0552624729862523  0.2910170788769302   
  0.8636399999941062  0.8409100000044987  0.1146500000122899   
  0.5909100000123004  0.5227300000134960  0.2075499999896167   
  0.3270551736386628  0.7069273933680944  0.2950256372036092   
  0.6818200000117116  0.5454499999945952  0.0914300000083514   
  0.4090899999808215  0.7272700000149825  0.1843199999858882   
  0.1363599999851104  0.9090899999898099  0.2772100000014248   
  0.8636399999934667  0.5909099999988001  0.1146500000122899   
  0.5909100000129399  0.7727300000191875  0.2075499999896167   
  0.3277721266905166  0.9566968049333329  0.2946513281025164   
  0.6818200000123440  0.7954500000002866  0.0914300000083514   
  0.4090900000318243  0.9772700000206740  0.1843199999858882   
  0.1363599999844709  0.6590899999841113  0.2772100000014248   
  0.3636399999991440  0.8409100000044987  0.1146500000122899   
  0.0909100000173382  0.5227300000134960  0.2075499999896167   
  0.8259976805281820  0.7064340038346820  0.2956703618033913   
  0.1818200000167423  0.5454499999945952  0.0914300000083514   
  0.9090900000261470  0.7272700000149825  0.1843199999858882   
  0.6363599999800726  0.9090899999898099  0.2772100000014248   
  0.3636399999985045  0.5909099999988001  0.1146500000122899   
  0.0909100000179777  0.7727300000191875  0.2075499999896167   
  0.8253926588089805  0.9555050569327995  0.2963024740110284   
  0.1818200000173817  0.7954500000002866  0.0914300000083514   
  0.9090900000267865  0.9772700000206740  0.1843199999858882   
  0.6363599999794332  0.6590899999841113  0.2772100000014248   
  0.0227300000107817  0.8181800000023927  0.1030399999913172   
  0.7500000000189075  0.5000000000113900  0.1959300000068609   
  0.4768523292094538  0.6819110075719074  0.2909209739060107   
  0.0227300000028663  0.6931799999767705  0.1030399999913172   
  0.7500000000122711  0.8749999999971507  0.1959300000068609   
  0.4772748305922374  0.5544295515437607  0.2898218399150154   
  0.1363599999844709  0.6590899999841113  0.1494899999989840   
  0.8636399999941062  0.8409100000044987  0.2423800000145278   
  0.7727299999707711  0.9431799999824619  0.1030399999913172   
  0.4999999999889653  0.6249999999914593  0.1959300000068609   
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  0.0227300000101422  0.5681799999967012  0.1030399999913172   
  0.7500000000195470  0.7500000000170814  0.1959300000068609   
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co3o4_adsoprtion_2_-1H
   1.000
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   -6.6183191679000002   21.9505538915000002    0.0000000000000000
    0.0000000000000000    0.0000000000000000   26.3101005553999983
   Co   O    C    N    H 
  136  192    7    1    6
Cartesian
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co3o4_adsoprtion_2_-2H
   1.000
   19.8549995422000016    0.0000000000000000    0.0000000000000000
   -6.6183191679000002   21.9505538915000002    0.0000000000000000
    0.0000000000000000    0.0000000000000000   26.3101005553999983
   Co   O    C    N    H 
  136  192    7    1    5
Cartesian
   14.8913206170967474    7.4831633271512841    3.0164530286765441  
   11.5820833847950357    0.4989360899538565    5.4606613702732094  
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   11.6434775825927534   15.4901478909496788    7.8423322648051785  
    0.0000738266317706   11.9729296201187285    2.4055324937802904  
   13.2366765525799668   15.9639793286711438    4.8494777343713169  
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    3.3092410540217454   12.9708018000262850    3.0164530286765441  
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   11.5820900726999998   10.9752769457500001    5.1549380018194455  
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    4.9638275339018527   17.9595041829474305    2.7109927612284159  
    1.6545903016000003   10.9752769457500001    5.1549380018194455  
   14.8204957084939224   15.0218251068137487    7.6671380351873157  
    5.7911174298893533   15.2156849465099295    2.7109927612284159  
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   15.6826217285305489   12.1009566235835315    7.6789686017637546  
    8.2728595283032540   14.4673905643487153    3.9330969320267481  
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