Model name: model_name=EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147199973464012
cohesive_energy=6.820536450052486
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.019693411103089392
Energy: 0.020028933950479683
Energy: 0.02047554356640767
Energy: 2.500836294003497
Energy: 0.02047554356640767
Energy: 0.020028933950479683
Energy: 0.019693411103089392
Energy: 0.020028933950479683
Energy: 0.0204755435645005
Energy: 2.1425767006005056
Energy: 1.2108183206046537
Energy: 0.02036956675831018
Energy: 0.021108553784179772
Energy: 1.2029230396721684
Energy: 0.021108553784179772
Energy: 0.02036956675831018
Energy: 1.2108183206046537
Energy: 0.02036956675831018
Energy: 0.021108553784179772
Energy: 1.2029230396721684
Energy: 0.019693411103089392
Energy: 0.02002893395238685
Energy: 0.02047554356640767
Energy: 2.500836294003497
Energy: 0.02047554356640767
Energy: 0.020028933950479683
Energy: 0.019693411103089392
Energy: 0.020028933950479683
Energy: 0.02047554356640767
Energy: 3.0656175815059687
Energy: 1.2108183206046537
Energy: 0.02036956675831018
Energy: 0.021108553784179772
Energy: 1.2029230396721684
Energy: 0.021108553784179772
Energy: 0.02036956676021735
Energy: 1.2108183206046537
Energy: 0.02036956675831018
Energy: 0.021108553784179772
Energy: 1.2029230396740758
Energy: 0.019693411103089392
Energy: 0.02002893395238685
Energy: 0.0204755435645005
Energy: 2.50083629400159
Energy: 0.02047554356640767
Energy: 0.020028933950479683
Energy: 0.019693411103089392
Energy: 0.02002893395238685
Energy: 0.02047554356640767
Energy: 3.221762124796118
Energy: 1.2108183206046537
Energy: 0.02036956676021735
Energy: 0.021108553784179772
Energy: 1.2029230396721684
Energy: 0.021108553784179772
Energy: 0.020369566756403012
Energy: 1.2108183206046537
Energy: 0.02036956675831018
Energy: 0.021108553784179772
Energy: 1.2029230396740758
Energy: 0.019693411103089392
Energy: 0.02002893395238685
Energy: 0.02047554356831484
Energy: 2.50083629400159
Energy: 0.0204755435645005
Energy: 0.020028933950479683
Energy: 0.019693411103089392
Energy: 0.02002893395238685
Energy: 0.0204755435645005
Energy: 3.221762124801839

minimum gb energy = 0.019693411103089392 eV
minimum distance =  2.57048825481871 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 2.393856606605857
Energy: 2.32837136232175
Energy: 2.2870863599897437
Energy: 2.4799567605930424
Energy: 2.2870622059393013
Energy: 2.3273916042164067
Energy: 2.3938566066049227
Energy: 2.32837136232175
Energy: 2.287086359989277
Energy: 2.4407728942173335
Energy: 2.3167211367523857
Energy: 2.324770956242295
Energy: 2.3032702989229157
Energy: 2.3203897792784725
Energy: 2.2049840493021056
Energy: 2.2673406802385596
Energy: 2.3167211367523857
Energy: 2.32477095624323
Energy: 2.3032702989247413
Energy: 2.320389779280809
Energy: 2.202422158834447
Energy: 2.2662810634289077
Energy: 2.1889928018138147
Energy: 2.364457166626494
Energy: 2.2521044409118334
Energy: 2.369522951006065
Energy: 2.2024221588339796
Energy: 2.243981874185998
Energy: 2.1889928018147486
Energy: 2.36445716662556
Energy: 2.234586919835314
Energy: 2.2424609164793394
Energy: 2.18048063303252
Energy: 2.1987523028697598
Energy: 2.151501705089895
Energy: 2.3204075859587863
Energy: 2.2345869198362482
Energy: 2.242460916481675
Energy: 2.1804806330320523
Energy: 2.1987523028697598
Energy: 2.172855585486974
Energy: 2.195366238207321
Energy: 2.18327033391438
Energy: 2.2218149394790943
Energy: 2.1817488798803804
Energy: 2.195073773428603
Energy: 2.1728555854865066
Energy: 2.1953662382082553
Energy: 2.18327033391765
Energy: 2.2218149394786275
Energy: 2.2665187958411512
Energy: 2.192289470332014
Energy: 2.1941942144498614
Energy: 2.1003764588417293
Energy: 2.294448543228523
Energy: 2.1383206173289033
Energy: 2.2619731079337186
Energy: 2.192289470332014
Energy: 2.194194214449394
Energy: 2.1003764588319185
Energy: 2.2214974705264874
Energy: 2.179965903448256
Energy: 2.2282567550867243
Energy: 2.178161592128065
Energy: 2.2929607948671276
Energy: 2.2738844793563207
Energy: 2.2214974705278885
Energy: 2.179965903448256
Energy: 2.228256755082987
Energy: 2.178161592128065
Energy: 2.2677997386325877
Energy: 2.2915209810690027
Energy: 2.395225176719456
Energy: 2.188244636330887
Energy: 2.2503205171728453
Energy: 2.241554591802591
Energy: 2.2677997386325877
Energy: 2.2915209810694703
Energy: 2.3407085795853053
Energy: 2.188244636330887
Energy: 2.3058878930633635
Energy: 2.303394652649042
Energy: 2.3794071825799827
Energy: 2.355438664248137
Energy: 2.3463070402293664
Energy: 2.327073794424268
Energy: 2.305887893065699
Energy: 2.303394652649042
Energy: 2.379407182579515
Energy: 2.3554386642458014
Energy: 2.3548815324556958
Energy: 2.2344573542944546
Energy: 2.4074426209288977
Energy: 2.350284280640044
Energy: 2.5206722463407263
Energy: 2.3415616677074254
Energy: 2.3236263787149447
Energy: 2.23445735429352
Energy: 2.40744262092843
Energy: 2.3502842806405115
Energy: 2.27087227050425
Energy: 2.2045407519616895
Energy: 2.2509383302119885
Energy: 2.178254031012085
Energy: 2.3190565680033917
Energy: 2.3774008861422384
Energy: 2.2708722705028483
Energy: 2.2045407519626234
Energy: 2.2509383302124553
Energy: 2.178254031011617
Energy: 2.2021478783703885
Energy: 2.1777408695316116
Energy: 2.3235379595930947
Energy: 2.194529260322656
Energy: 2.27572857868049
Energy: 2.1401784935708257
Energy: 2.2021478783708557
Energy: 2.177740869532079
Energy: 2.323537959594029
Energy: 2.19452926032359
Energy: 2.197116155945748
Energy: 2.1722015498753553
Energy: 2.171104990046027
Energy: 2.1888735376767685
Energy: 2.200778561608417
Energy: 2.2694261631038493
Energy: 2.1971161559466825
Energy: 2.172201549874421
Energy: 2.1711049900446686
Energy: 2.1888735376763013
Energy: 2.1887372399669536
Energy: 2.1711049900455603
Energy: 2.1719269201893163
Energy: 2.196381883424182
Energy: 2.270961715715787
Energy: 2.2006016158554274
Energy: 2.1887372399678884
Energy: 2.1711049900455603
Energy: 2.171926920189783
Energy: 2.196381883424182
Energy: 2.194725188396372
Energy: 2.323795982562384
Energy: 2.178232770082151
Energy: 2.19736294422126
Energy: 2.1404531348807185
Energy: 2.274138664954903
Energy: 2.194725188395438
Energy: 2.3237959825628507
Energy: 2.178232770081684
Energy: 2.1973629442207923
Energy: 2.1784787412836453
Energy: 2.2513567405745203
Energy: 2.2046273010558486
Energy: 2.2704951480713045
Energy: 2.377361167174275
Energy: 2.319004259804296
Energy: 2.1784787412836453
Energy: 2.2513567405731183
Energy: 2.204627301054447
Energy: 2.2704951480717717
Energy: 2.3513890880891197
Energy: 2.4077406315142182
Energy: 2.234401126475762
Energy: 2.355288659974314
Energy: 2.340882348028267
Energy: 2.5216483056059733
Energy: 2.351389088088652
Energy: 2.407740631513751
Energy: 2.234401126476696
Energy: 2.355288659974781
Energy: 2.3552903072199194
Energy: 2.377156687072856
Energy: 2.3034043471631693
Energy: 2.3058354706506923
Energy: 2.327421696522774
Energy: 2.344635823197865
Energy: 2.3552903072199194
Energy: 2.3771566870714547
Energy: 2.303404347162235
Energy: 2.3058354706511595
Energy: 2.2031894935504317
Energy: 2.3296357145036595
Energy: 2.289880000397321
Energy: 2.2675736905877213
Energy: 2.2411850548541454
Energy: 2.250332037532705
Energy: 2.203189493549498
Energy: 2.3296357145045934
Energy: 2.2898800003982553
Energy: 2.2675736905877213
Energy: 2.1784344212271582
Energy: 2.2301120991651127
Energy: 2.1799191937017968
Energy: 2.2269331388673312
Energy: 2.27339187617463
Energy: 2.2934222197035465
Energy: 2.1784344212285593
Energy: 2.230112099166047
Energy: 2.179919193699461
Energy: 2.2269331388649958
Energy: 2.0978506136449098
Energy: 2.1919113241848436
Energy: 2.2183969379553847
Energy: 2.266518795840684
Energy: 2.1383206677139293
Energy: 2.2616828077378357
Energy: 2.0978506136574806
Energy: 2.191911324184377
Energy: 2.2183969379553847
Energy: 2.2665187958425532
Energy: 2.225943962505867
Energy: 2.183431670876895
Energy: 2.199129014811995
Energy: 2.1773466263286885
Energy: 2.195073773428603
Energy: 2.182089313614244
Energy: 2.2259439625063338
Energy: 2.183431670854981
Energy: 2.1991290148115277
Energy: 2.1773466263286885
Energy: 2.1986195320558295
Energy: 2.180676976409875
Energy: 2.2430348289131152
Energy: 2.2348103949120786
Energy: 2.3208204987895833
Energy: 2.151677340459545
Energy: 2.198619532054895
Energy: 2.1806769764103424
Energy: 2.243034828912648
Energy: 2.234810394913947
Energy: 2.3644571666227567
Energy: 2.188860648530945
Energy: 2.266855281726816
Energy: 2.2016749207891695
Energy: 2.3428829781560863
Energy: 2.2526598160000084
Energy: 2.3644571666222896
Energy: 2.188860648530945
Energy: 2.266855281726816
Energy: 2.2016749207901034
Energy: 2.320325853023883
Energy: 2.3037361696344414
Energy: 2.326135148135073
Energy: 2.316710739307785
Energy: 2.2656068279741
Energy: 2.2050170762253716
Energy: 2.3203258530229487
Energy: 2.3037361696316383
Energy: 2.32613514813554
Energy: 2.3167107393073176
Energy: 2.4191749793817507
Energy: 2.287062205941637
Energy: 2.327391604213137
Energy: 2.3938566066063243
Energy: 2.328371362324086
Energy: 2.2870863599916125
Energy: 2.419174979382684
Energy: 2.2870622059378998
Energy: 2.327391604212669
Energy: 2.393856606605857
Energy: 2.320389779280809
Energy: 2.2049840493039743
Energy: 2.267340680237625
Energy: 2.316721136754721
Energy: 2.32477095624323
Energy: 2.303270298925676
Energy: 2.3203897792780053
Energy: 2.2049840493035076
Energy: 2.267340680237158
Energy: 2.316721136754721
Energy: 2.3644571666232244
Energy: 2.2521044409123
Energy: 2.3695229510069997
Energy: 2.2024221588330457
Energy: 2.2439818741873996
Energy: 2.1889928018147486
Energy: 2.3644571666227567
Energy: 2.2521044409123
Energy: 2.3695229510065325
Energy: 2.202422158835381
Energy: 2.1987523028683587
Energy: 2.151501705089428
Energy: 2.320407585959254
Energy: 2.2345869198329784
Energy: 2.2424609164793394
Energy: 2.18048063303252
Energy: 2.1987523028697598
Energy: 2.151501705089428
Energy: 2.320407585959254
Energy: 2.234586919833445

minimum gb energy = 2.0978506136449098 eV
minimum distance =  2.41519927047418 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.973685810301336
Energy: 2.544046783811106
Energy: 2.6420632996447733
Energy: 2.732987769074716
Energy: 2.521330838163927
Energy: 2.561768627342196
Energy: 2.973685810301336
Energy: 2.544046783813344
Energy: 2.6420632996516122
Energy: 2.518850867750296
Energy: 2.3741719523922584
Energy: 2.19643784744921
Energy: 2.460176704007029
Energy: 2.4034476315727855
Energy: 2.435981346048594
Energy: 2.494169334725486
Energy: 2.3741719523945375
Energy: 2.196437847451489
Energy: 2.460176704007029
Energy: 2.415384180226795
Energy: 2.2911021733327086
Energy: 2.309536150633626
Energy: 2.2407571247341234
Energy: 2.2614161410728313
Energy: 2.375763010487412
Energy: 2.36918257192849
Energy: 2.2911021733327086
Energy: 2.309536150635864
Energy: 2.240757124736403
Energy: 2.2614161410751104
Energy: 2.3633251589754436
Energy: 2.3171422730593645
Energy: 2.2825070746104728
Energy: 2.285562481123423
Energy: 2.3361942541924567
Energy: 2.331437708945318
Energy: 2.3633251589754436
Energy: 2.317142273057085
Energy: 2.2825070746082345
Energy: 2.285562481125702
Energy: 2.3187823821122575
Energy: 2.3003227232919428
Energy: 2.3528778797962375
Energy: 2.5308970151705648
Energy: 2.212936350201522
Energy: 2.2098256097852604
Energy: 2.3187823821145375
Energy: 2.3003227232919428
Energy: 2.3528778797962375
Energy: 2.5308970151728443
Energy: 2.494239521361633
Energy: 2.6972354587910115
Energy: 2.4747163178900937
Energy: 2.3901474942010124
Energy: 2.358424981960927
Energy: 2.528029019053234
Energy: 2.494239521361633
Energy: 2.6972354587910115
Energy: 2.4747163178900937
Energy: 2.390147494198733
Energy: 2.5649127830877165
Energy: 2.491954503213589
Energy: 2.5658580924798575
Energy: 2.5466317151128646
Energy: 2.34013699067913
Energy: 2.538328795023857
Energy: 2.5649127830877165
Energy: 2.4919545032158683
Energy: 2.5658580924798575
Energy: 2.546631715115144
Energy: 2.4743293400548563
Energy: 2.6249119462367134
Energy: 2.1912936063094213
Energy: 2.473754911804791
Energy: 2.56729551869486
Energy: 2.30447980551389
Energy: 2.4743293400548563
Energy: 2.6249119462367134
Energy: 2.1912936063094213
Energy: 2.473754911804791
Energy: 2.3641403180814806
Energy: 2.284643294266756
Energy: 2.2908625740386115
Energy: 2.312085579064596
Energy: 2.333576105320076
Energy: 2.3661667319800506
Energy: 2.3641403180814806
Energy: 2.284643294266756
Energy: 2.2908625740363324
Energy: 2.312085579064596
Energy: 2.4160628195923075
Energy: 2.302487859852816
Energy: 2.400834456967279
Energy: 2.342932526530002
Energy: 2.1696590112855616
Energy: 2.3394541000119276
Energy: 2.4160628195923075
Energy: 2.302487859852816
Energy: 2.4008344569695583
Energy: 2.342932526530002
Energy: 2.44324996479047
Energy: 2.3943485232735267
Energy: 2.280560776811638
Energy: 2.3920788453719926
Energy: 2.5591504132571226
Energy: 2.367955030805821
Energy: 2.443249964788191
Energy: 2.394348523275806
Energy: 2.280560776811638
Energy: 2.3920788453719926
Energy: 2.450734416941659
Energy: 2.4899460668442295
Energy: 2.66484085110402
Energy: 2.4999357910369184
Energy: 2.3789319660137767
Energy: 2.419581967332197
Energy: 2.450734416941659
Energy: 2.4899460668442295
Energy: 2.66484085110402
Energy: 2.4999357910369184
Energy: 2.382818542481904
Energy: 2.204627507251867
Energy: 2.6218571724017594
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Energy: 2.549240605422736
Energy: 2.435589581095815
Energy: 2.382818542481904
Energy: 2.2046275030275337
Energy: 2.6218571724017594
Energy: 2.4448251243505106
Energy: 2.605489390948922
Energy: 2.41955635990768
Energy: 2.3875538706693433
Energy: 2.4070585705135907
Energy: 2.499267975314663
Energy: 2.4708694483998994
Energy: 2.605489390946643
Energy: 2.41955635990768
Energy: 2.3875538706693433
Energy: 2.4070585705204297
Energy: 2.2819944784525474
Energy: 2.274055168878425
Energy: 2.3072795107849537
Energy: 2.3214041730677777
Energy: 2.2966236387847037
Energy: 2.3335727871282397
Energy: 2.2819944784525474
Energy: 2.274055168878425
Energy: 2.3072795107849537
Energy: 2.3214041730677777
Energy: 2.2988960372703597
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Energy: 2.317947713816308
Energy: 2.3252087020323673
Energy: 2.3480344843342276
Energy: 2.2129890145975413
Energy: 2.2988960372703597
Energy: 2.405169852071357
Energy: 2.3179477138140285
Energy: 2.3252087020323673
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Energy: 2.4466247804016836
Energy: 2.405727687020155
Energy: 2.2862708335511535
Energy: 2.4033768413742815
Energy: 2.2977683759037593
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Energy: 2.4466247804016836
Energy: 2.405727687020155
Energy: 2.2862708335511535
Energy: 2.4390010016967567
Energy: 2.508524415116849
Energy: 2.5887705018333858
Energy: 2.717288496574317
Energy: 2.1931586603977293
Energy: 2.3324598144322835
Energy: 2.4390010016967567
Energy: 2.508524415119087
Energy: 2.5887705018311062
Energy: 2.717288496574317
Energy: 2.4366143637761013
Energy: 2.3655480784533465
Energy: 2.205420709433406
Energy: 2.570448834892323
Energy: 2.582810040447458
Energy: 2.3703698987848183
Energy: 2.4366143637783804
Energy: 2.3655480784556255
Energy: 2.205420709437965
Energy: 2.570448834892323
Energy: 2.46933126104886
Energy: 2.4557295070919856
Energy: 2.4037452410961437
Energy: 2.284763590416742
Energy: 2.405727687022435
Energy: 2.5217089650268427
Energy: 2.46933126104886
Energy: 2.4557295070897065
Energy: 2.4037452410961437
Energy: 2.284763590416742
Energy: 2.3160147229817607
Energy: 2.2129890145975413
Energy: 2.2973734296066355
Energy: 2.318742042782463
Energy: 2.3179477138140285
Energy: 2.39354997724925
Energy: 2.3160147229817607
Energy: 2.212989014599821
Energy: 2.2973734296066355
Energy: 2.318742042782463
Energy: 2.304781019778104
Energy: 2.291606028957469
Energy: 2.246455657938164
Energy: 2.3214041730677777
Energy: 2.341647435995323
Energy: 2.411432219856897
Energy: 2.3047810197849423
Energy: 2.291606028959748
Energy: 2.246455657940444
Energy: 2.3214041730677777
Energy: 2.6018675342582207
Energy: 2.514600345512034
Energy: 2.4834111167145707
Energy: 2.4070585705113112
Energy: 2.346188843007581
Energy: 2.448193045537287
Energy: 2.6018675342582207
Energy: 2.514600345512034
Energy: 2.4834111167168507
Energy: 2.4070585705135907
Energy: 2.6003595598131986
Energy: 2.517829227269025
Energy: 2.4639574332854073
Energy: 2.521972729471869
Energy: 2.7053424800359465
Energy: 2.588169108810224
Energy: 2.6003595598154776
Energy: 2.5757716093936835
Energy: 2.4639574332831273
Energy: 2.549726435797217
Energy: 2.4504285972549646
Energy: 2.4398426337287558
Energy: 2.514766288669736
Energy: 2.559667573398937
Energy: 2.606089358286774
Energy: 2.617363272298143
Energy: 2.450428597252685
Energy: 2.4398426337287558
Energy: 2.5147662886720155
Energy: 2.559667573398937
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minimum gb energy = 2.1527344611531185 eV
minimum distance =  2.36206577510334 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 2.6552380710594243
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Energy: 2.4019907822794178
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Energy: 2.404740473952964
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Energy: 2.5332752308758986
Energy: 2.3980731936621553
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Energy: 2.3377489179559565
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Energy: 2.4425899166987586
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Energy: 2.284906703607733
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Energy: 2.4830036613291466
Energy: 2.26140364247856
Energy: 2.4666027595532887
Energy: 2.39509580503873
Energy: 2.284906703606938
Energy: 2.323185942042591
Energy: 2.4830036613276034
Energy: 2.261403642478046
Energy: 2.478001582669668
Energy: 2.6234686857797405
Energy: 2.3775124613089855
Energy: 2.3449966911855777
Energy: 2.4110375797898294
Energy: 2.3601789295497926
Energy: 2.4780015826704624
Energy: 2.6234686857797405
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Energy: 2.3449966911852975
Energy: 2.239994372433497
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Energy: 2.698305502599051
Energy: 2.444820795308421
Energy: 2.6120105209058315
Energy: 2.6556730906062866
Energy: 2.2399943724293827
Energy: 2.592734637908288
Energy: 2.6983055025980227
Energy: 2.444820795308935
Energy: 2.420939757896887
Energy: 2.387934269706269
Energy: 2.4993665114006958
Energy: 2.346224569363369
Energy: 2.2568264677289656
Energy: 2.405246451522238
Energy: 2.420939757896887
Energy: 2.3879342697072974
Energy: 2.499366511399901
Energy: 2.3462245693643977
Energy: 2.145951516538212
Energy: 2.4001761005979323
Energy: 2.3261329036950658
Energy: 2.2702952192952766
Energy: 2.49521865073708
Energy: 2.293521732067774
Energy: 2.1459515165397547
Energy: 2.4001761005976516
Energy: 2.3261329036948317
Energy: 2.2702952192952766
Energy: 2.3137400886518242
Energy: 2.365049705454079
Energy: 2.3893587011222515
Energy: 2.3781133058644772
Energy: 2.3471549482067635
Energy: 2.2909917956837784
Energy: 2.313740088652105
Energy: 2.3650497054535644
Energy: 2.3893587011191655
Energy: 2.378113305863729
Energy: 2.667212897387967
Energy: 2.416583854480292
Energy: 2.3434389229352166
Energy: 2.398789128640112
Energy: 2.4345314683113983
Energy: 2.4812614645683095
Energy: 2.6672128973876874
Energy: 2.4165838544800575
Energy: 2.343438922933954
Energy: 2.3987891286408605

minimum gb energy = 2.1419703872236253 eV
minimum distance =  2.42115799203158 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 2.361769656152814
Energy: 2.57674622845772
Energy: 2.214266951674313
Energy: 2.830951304992374
Energy: 2.2143752665343155
Energy: 2.579033239598952
Energy: 2.361769656152814
Energy: 2.576746228456837
Energy: 2.2142669516769615
Energy: 2.7374182781554177
Energy: 2.254604610786268
Energy: 2.404627687367278
Energy: 2.246782089305046
Energy: 2.28697549561323
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Energy: 2.286975495614996
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Energy: 2.2007763332300665
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Energy: 2.226689496760704
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Energy: 2.226689496760704
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Energy: 2.3785890025805694
Energy: 2.2587265252258413
Energy: 2.53099622160653
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Energy: 2.335727485339886
Energy: 2.3818139633389053
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Energy: 2.2587265252258413
Energy: 2.53099622160653
Energy: 2.459790251589795
Energy: 2.3346882453609927
Energy: 2.3115183695593946
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Energy: 2.239982601661068
Energy: 2.4251079990241147
Energy: 2.4597902516101002
Energy: 2.3346882453583446
Energy: 2.3115183695593946
Energy: 2.399423119889224
Energy: 2.223727210937352
Energy: 2.4028383627427052
Energy: 2.263239441192454
Energy: 2.236362283593887
Energy: 2.201245755614954
Energy: 2.2456381598211257
Energy: 2.223727210937352
Energy: 2.4028383627435876
Energy: 2.263239441193337
Energy: 2.236362283593887
Energy: 2.2739776778122303
Energy: 2.2007763332291836
Energy: 2.398256817613175
Energy: 2.234875796484955
Energy: 2.2670224734577062
Energy: 2.3161897667510187
Energy: 2.273977677813113
Energy: 2.200776333228301
Energy: 2.398256817613175
Energy: 2.234875796485838
Energy: 2.286978277246476
Energy: 2.247241529148024
Energy: 2.404491291815029
Energy: 2.2541145709816286
Energy: 2.2265159659031752
Energy: 2.1678413265665686
Energy: 2.286978277246476
Energy: 2.247241529148024
Energy: 2.404491291820326
Energy: 2.2541145709825114
Energy: 2.549003830933361
Energy: 2.214375266530784
Energy: 2.579033239598952
Energy: 2.361769656152814
Energy: 2.5767462284550717
Energy: 2.2142669516787277
Energy: 2.549003830933361
Energy: 2.2143752665325493
Energy: 2.579033239598069
Energy: 2.361769656151931

minimum gb energy = 2.1678413265665686 eV
minimum distance =  2.46990271875728 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.766057857176068
Energy: 2.4769999396062308
Energy: 2.0936154056127223
Energy: 2.815383640703898
Energy: 2.08335114314506
Energy: 2.541937081403194
Energy: 2.7660578571757566
Energy: 2.4769999396055455
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Energy: 2.2976106966947634
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Energy: 2.553167137640772
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Energy: 2.330743379293721
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Energy: 2.0981145201102707
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Energy: 2.0771919015039777
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Energy: 2.0771919015043516
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Energy: 2.4010424853664327
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Energy: 2.146770999917563
Energy: 2.293388966783981
Energy: 2.1069234365213547
Energy: 2.18661922330659
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Energy: 2.3863577435551697
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Energy: 2.529222172080326
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Energy: 2.211432002690166
Energy: 2.1558934650435373
Energy: 2.1579066579934194
Energy: 2.228799061038056
Energy: 2.109445048210836
Energy: 2.1360338464936013
Energy: 2.3102539992613322
Energy: 2.1558934650435373
Energy: 2.157906657996845
Energy: 2.2287990610346307
Energy: 2.109445048210836
Energy: 2.5726085340227174
Energy: 2.4497799030906244
Energy: 2.3333502886216904
Energy: 2.1121612879282354
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Energy: 2.0773758685564454
Energy: 2.5726085340227174
Energy: 2.449779903089254
Energy: 2.3333502886216904
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Energy: 2.42396424173867
Energy: 2.5914803354283933
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Energy: 2.5914803354283933
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Energy: 2.059132107978421
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Energy: 2.0765838825744827
Energy: 2.3029586764953884
Energy: 2.1617319869210676
Energy: 2.164720957263252
Energy: 2.3380943357047737
Energy: 2.105980249865718
Energy: 2.11874189131908
Energy: 2.3029586764953884
Energy: 2.161731986924493
Energy: 2.164720957263252
Energy: 2.3380943357047737
Energy: 2.0826475415276096
Energy: 2.555613382199443
Energy: 2.419604982243267
Energy: 2.0829969881590333
Energy: 2.1110923027615156
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Energy: 2.082647541527298
Energy: 2.555613382202868
Energy: 2.4196049822428933
Energy: 2.082996988162458
Energy: 2.081220120868232
Energy: 2.400275311640821
Energy: 2.683404018318531
Energy: 2.4236917260922346
Energy: 2.0795800612400965
Energy: 2.510935876162656
Energy: 2.0812201208668615
Energy: 2.400275311641506
Energy: 2.683404018318905
Energy: 2.42369172609292
Energy: 2.1063503138406845
Energy: 2.3213417406355568
Energy: 2.437418335851197
Energy: 2.3729153055899803
Energy: 2.0760930293196296
Energy: 2.259282174238089
Energy: 2.1063503138406845
Energy: 2.3213417406355568
Energy: 2.437418335850823
Energy: 2.3729153055899803
Energy: 2.1195840849638325
Energy: 2.302714660586172
Energy: 2.1742038260938576
Energy: 2.1525851996852334
Energy: 2.3513755789041455
Energy: 2.0972125581455354
Energy: 2.1195840849638325
Energy: 2.302714660586172
Energy: 2.1742038260938576
Energy: 2.1525851996852334
Energy: 2.263237988120906
Energy: 2.0857464339053062
Energy: 2.55073198431201
Energy: 2.161700856647309
Energy: 2.0920112220739946
Energy: 2.1097551486251165
Energy: 2.263237988124331
Energy: 2.08574643390568
Energy: 2.55073198431201
Energy: 2.161700856647309
Energy: 2.4213337891800286
Energy: 2.0866647932457
Energy: 2.2557518305143014
Energy: 2.592387026020547
Energy: 2.4036919583873892
Energy: 2.474919006161438
Energy: 2.4213337891800286
Energy: 2.0866647932460114
Energy: 2.2557518305143014
Energy: 2.5923870260202353
Energy: 2.2567180755627065
Energy: 2.1071157228095783
Energy: 2.4273981492966406
Energy: 2.396275906529234
Energy: 2.3826717117572427
Energy: 2.079752545302213
Energy: 2.2567180755627065
Energy: 2.1071157228095783
Energy: 2.427398149293215
Energy: 2.396275907109555

minimum gb energy = 2.0058189637210737 eV
minimum distance =  2.32993061379737 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 2.669836564177996
Energy: 2.4433929044209326
Energy: 2.7555249813081644
Energy: 2.475925875876602
Energy: 2.5591656651632824
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Energy: 2.6698365641788087
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Energy: 2.3491975193040084
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Energy: 2.2368334614143772
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Energy: 2.2970716218410114
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Energy: 2.3491975193040084
Energy: 2.2148258088191497
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Energy: 2.3491975193040084
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Energy: 2.211051954000334
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Energy: 2.404687333060997
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Energy: 2.522968777454448
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Energy: 2.505597854572445
Energy: 2.3782586644872015
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Energy: 2.5400953740176906
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Energy: 2.20916002565134
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Energy: 2.237908230639029
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Energy: 2.236833461412751
Energy: 2.351983788505809
Energy: 2.3546225150399223
Energy: 2.517435087924704
Energy: 2.291446345806648
Energy: 2.391910310380796
Energy: 2.236833461413564
Energy: 2.3519837885054016
Energy: 2.354622515039516
Energy: 2.3163873149968675
Energy: 2.451752173347575
Energy: 2.511942137181174
Energy: 2.211051954000334
Energy: 2.389581466995982
Energy: 2.386245094779645
Energy: 2.3075010167932395
Energy: 2.4517521733459486
Energy: 2.4262923061147266
Energy: 2.211051954000334
Energy: 2.2097883559348
Energy: 2.5563060277723437
Energy: 2.459159940467473
Energy: 2.327109593132931
Energy: 2.4046873330593708
Energy: 2.2709882386488305
Energy: 2.2097883559348
Energy: 2.5563060277731573
Energy: 2.4591599403162876
Energy: 2.3271095931333377
Energy: 2.378258664487608
Energy: 2.327593435770545
Energy: 2.23463435249342
Energy: 2.522968777454855
Energy: 2.2938128317071134
Energy: 2.505597854570006
Energy: 2.378258664481915
Energy: 2.327593435768512
Energy: 2.23463435249342
Energy: 2.5229687774540412
Energy: 2.2381879867714853
Energy: 2.252274687569055
Energy: 2.20916002565134
Energy: 2.540095374017284
Energy: 2.3194837961224186
Energy: 2.5840047068783836
Energy: 2.238187986771892
Energy: 2.2522746875694613
Energy: 2.20916002565134
Energy: 2.5400953740176906
Energy: 2.544793144832086
Energy: 2.5507929443996527
Energy: 2.2078062493439163
Energy: 2.3417316248184665
Energy: 2.408170895281502
Energy: 2.2109315015290587
Energy: 2.5447931448369654
Energy: 2.550792944400872
Energy: 2.2078062493455426
Energy: 2.341731624866816
Energy: 2.239041490447106
Energy: 2.2299016080059904
Energy: 2.471960584828449
Energy: 2.3757766243696654
Energy: 2.4588772487348582
Energy: 2.2103394716115825
Energy: 2.239041490447512
Energy: 2.2299016080043637
Energy: 2.4719605848280426
Energy: 2.375776624368852

minimum gb energy = 2.20394567977193 eV
minimum distance =  2.34926358183769 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.609443484299795
Energy: 2.7457369050173277
Energy: 2.4385934614906373
Energy: 2.7811620768211736
Energy: 2.5022586339431325
Energy: 2.50111735394696
Energy: 2.609443484299795
Energy: 2.7457369050173277
Energy: 2.438593461472821
Energy: 2.751004762516736
Energy: 2.7090457608777396
Energy: 2.4063183692122623
Energy: 2.3781058285122074
Energy: 2.2375779571814243
Energy: 2.2917099212583203
Energy: 2.334948670429106
Energy: 2.7090457608755076
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Energy: 2.3781058285122074
Energy: 2.2375779571836563
Energy: 2.3327456866269762
Energy: 2.2696491699680226
Energy: 2.478106141014778
Energy: 2.617812842415177
Energy: 2.219063068062393
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Energy: 2.3327456866269762
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Energy: 2.4781061410170095
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Energy: 2.2066004161316504
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Energy: 2.4967797663821596
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Energy: 2.2638721258856087
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Energy: 2.264303174447559
Energy: 2.651349915934958
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Energy: 2.395824771866999
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Energy: 2.372731830487174
Energy: 2.4064630999195527
Energy: 2.395824771866999
Energy: 2.229152853111675
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Energy: 2.176699931423982
Energy: 2.2524519330939623
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Energy: 2.2750517846323204
Energy: 2.1883331347167974
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Energy: 2.2419776601968646
Energy: 2.523956387456078
Energy: 2.48478811866265
Energy: 2.4767910834813387
Energy: 2.4138356829502903
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Energy: 2.2419776601968646
Energy: 2.523956387456078
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Energy: 2.4767910834791063
Energy: 2.3030961044506144
Energy: 2.6655805613027472
Energy: 2.384929390447224
Energy: 2.4763200556174354
Energy: 2.3983094703417813
Energy: 2.2683035114394543
Energy: 2.3030961044506144
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Energy: 2.4763200556129714
Energy: 2.2761536252080483
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Energy: 2.2622550766635072
Energy: 2.3042729874017143
Energy: 2.5980216802526583
Energy: 2.2229395013068656
Energy: 2.2761536252058163
Energy: 2.197007777418318
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Energy: 2.6864542712341195
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Energy: 2.4765514494807364
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Energy: 2.404198794086471
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Energy: 2.1439369571114213
Energy: 2.5586581271662117
Energy: 2.5049743574289085
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Energy: 2.1773618201018743
Energy: 2.4484422971128743
Energy: 2.47554049421515
Energy: 2.3778344904384143
Energy: 2.1862275980750803
Energy: 2.2457723511918464
Energy: 2.2707263775070006
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Energy: 2.475540494221846
Energy: 2.3778344904384143
Energy: 2.1862275980750803
Energy: 2.239681129709141
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Energy: 2.4259211666134934
Energy: 2.6985097325281324
Energy: 2.239681129700212
Energy: 2.4902078719944702
Energy: 2.4380824953527256
Energy: 2.4732058612430863

minimum gb energy = 2.140880363281198 eV
minimum distance =  2.3201280274996 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 2.1562317695013555
Energy: 1.9907484520879055
Energy: 2.8569457201037856
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Energy: 2.1644601893529805
Energy: 1.9906351921878664
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Energy: 2.0698481283872217
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Energy: 2.1644601893515034
Energy: 1.990635192186389
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Energy: 1.9900524424371737
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Energy: 2.2367387073326137
Energy: 2.1485921748845906
Energy: 1.9900524424356965
Energy: 2.0812497941469172
Energy: 2.02641315767782
Energy: 2.245182860331583

minimum gb energy = 1.9900524424356965 eV
minimum distance =  2.4097802371594 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 3.0511781856673434
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Energy: 2.5327319580183003
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Energy: 2.6491587909314336
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minimum gb energy = 2.261123940469624 eV
minimum distance =  2.31850506445739 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.433912801555278
Energy: 2.4889086928907593
Energy: 2.4391178497624004
Energy: 2.2662225559319045
Energy: 2.514472513087616
Energy: 2.6068144308423378
Energy: 2.433912801554277
Energy: 2.4889086928900923
Energy: 2.703987554242278
Energy: 2.6188931733863243
Energy: 2.529815604099457
Energy: 2.4880888689928655
Energy: 2.4514047632855807
Energy: 2.4962253281721325
Energy: 2.703987554240609
Energy: 2.6188931733859904
Energy: 2.529815604101125
Energy: 2.488088868993199
Energy: 2.325628892616777
Energy: 2.471618457822657
Energy: 2.5634393235638906
Energy: 2.5466161996445584
Energy: 2.5492746942584374
Energy: 2.2991605730660196
Energy: 2.3256288926164435
Energy: 2.4716184578223235
Energy: 2.5634393235622226
Energy: 2.546616199646227
Energy: 2.297174650364459
Energy: 2.3992160471704214
Energy: 2.392824097003673
Energy: 2.652930714655382
Energy: 2.5505450366143805
Energy: 2.5569046054391373
Energy: 2.2971746503621224
Energy: 2.3992160471700874
Energy: 2.392824097003673
Energy: 2.65293071465605
Energy: 2.3874728277707415
Energy: 2.478609517775323
Energy: 2.5986795649831422
Energy: 2.571415876478293
Energy: 2.6604612741235436
Energy: 2.457229717891438
Energy: 2.3874728277700745
Energy: 2.478609517773988
Energy: 2.598679564983476
Energy: 2.571415876478293
Energy: 2.400994839237267
Energy: 2.383803779638268
Energy: 2.3837519465610733
Energy: 2.40468442477648
Energy: 2.2840588765198344
Energy: 2.307520707225909
Energy: 2.4009948392365996
Energy: 2.3838037796389355
Energy: 2.3837519465600727
Energy: 2.404684424776146
Energy: 2.570711641970792
Energy: 2.598850790128038
Energy: 2.48583740822595
Energy: 2.3874251285006354
Energy: 2.457307470058966
Energy: 2.660884776052561
Energy: 2.5707116419764646
Energy: 2.5988507901267037
Energy: 2.4858374082222796
Energy: 2.387425128500969
Energy: 2.6359240946249005
Energy: 2.393131119650006
Energy: 2.4215406399435326
Energy: 2.2970756270755737
Energy: 2.572591813778162
Energy: 2.550492402234953
Energy: 2.6359240946262354
Energy: 2.3931311196496723
Energy: 2.4215406399428647
Energy: 2.297075627076242
Energy: 2.546602583280233
Energy: 2.564560852092704
Energy: 2.4716184578213225
Energy: 2.3216018614765677
Energy: 2.299929841024101
Energy: 2.549274694259105
Energy: 2.5466025832805674
Energy: 2.5645608520937055
Energy: 2.4716184578209885
Energy: 2.321601861476901
Energy: 2.4880131912264534
Energy: 2.5305778633629314
Energy: 2.6207543070609423
Energy: 2.701950720673885
Energy: 2.4985861606964823
Energy: 2.4513697071225913
Energy: 2.48801319122612
Energy: 2.530577863364266
Energy: 2.620754307060275
Energy: 2.7019507206811957

minimum gb energy = 2.2660966870006867 eV
minimum distance =  2.3680386514782 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.8919840058262534
Energy: 2.2866288375699746
Energy: 1.916036817410676
Energy: 3.0139812217589483
Energy: 1.9158925502689028
Energy: 2.3188225217671743
Energy: 1.8919840058262534
Energy: 2.286628837568165
Energy: 1.9160368174148978
Energy: 2.749409225014064
Energy: 2.200166316870528
Energy: 2.9802922245096077
Energy: 1.915900564039915
Energy: 2.492911278528489
Energy: 2.6150685408368077
Energy: 1.9157588986648904
Energy: 2.2001663168741463
Energy: 2.9802922245096077
Energy: 1.915900564041724
Energy: 2.2579904905048687
Energy: 1.981082850173199
Energy: 1.8941364972631696
Energy: 2.557264468238869
Energy: 1.9277773215679834
Energy: 2.1876796826225995
Energy: 1.915763941116196
Energy: 1.9810828501750082
Energy: 1.8941364972625665
Energy: 2.557264468240075
Energy: 1.9277773215697926
Energy: 2.5587987874217504
Energy: 1.8929594231905087
Energy: 1.9808089555837531
Energy: 1.9159314160663896
Energy: 2.1877740949879003
Energy: 1.9272378198814513
Energy: 2.558798787422957
Energy: 1.8929594231917148
Energy: 1.9808089555843564
Energy: 1.9159314160657865
Energy: 1.91647830474792
Energy: 2.980292224509005
Energy: 2.200224403101896
Energy: 1.9164358282012934
Energy: 2.6151705885916576
Energy: 2.4993982742617815
Energy: 1.916478304747317
Energy: 2.9510020080165353
Energy: 2.2002244030976734
Energy: 1.916435828197072
Energy: 1.9158925502682997
Energy: 2.277896046783199
Energy: 1.8919840058262534
Energy: 2.2866288375693715
Energy: 1.9160368174155007
Energy: 3.0139812217589483
Energy: 1.9158925502670934
Energy: 2.277896046783199
Energy: 1.8919840058262534
Energy: 2.2866288375687684
Energy: 2.615068540837411
Energy: 1.9157588986341323
Energy: 2.2001663168735432
Energy: 2.9802922245096077
Energy: 1.915900564041724
Energy: 2.3847439627219766
Energy: 2.6150685408368077
Energy: 1.9157588986371479
Energy: 2.200166316872337
Energy: 2.9802922245102104
Energy: 2.1876796826232026
Energy: 1.915763941116196
Energy: 1.981082850162946
Energy: 1.8941364972631696
Energy: 2.557264468240075
Energy: 1.9277773215691896
Energy: 2.1876796826225995
Energy: 1.915763941116196
Energy: 1.9810828501701832
Energy: 1.8941364972631696
Energy: 2.18777409498971
Energy: 1.9272378198814513
Energy: 2.5587987874211473
Energy: 1.8929594231911118
Energy: 1.9808089555837531
Energy: 1.9159314160681988
Energy: 2.1877740949885034
Energy: 1.9272378198814513
Energy: 2.5587987874193385
Energy: 1.8929594231947302
Energy: 2.6151705885922607
Energy: 2.4993982742647978
Energy: 1.916478304747317
Energy: 2.9802922245096077
Energy: 2.2002244030994826
Energy: 1.9164358282043092
Energy: 2.6151705885916576
Energy: 2.4993982742666065
Energy: 1.9164783047467138
Energy: 2.8017370623504463
Energy: 1.916036817416104
Energy: 2.897277754587377
Energy: 1.9158925502670934
Energy: 2.2778960467813896
Energy: 1.8919840058262534
Energy: 2.286628837568165
Energy: 1.9160368174094697
Energy: 3.0139812217583453
Energy: 1.9158925502689028
Energy: 2.1050358435724354
Energy: 1.9159005640429303
Energy: 2.3847439627219766
Energy: 2.615068540838014
Energy: 1.9157588986323228
Energy: 2.20016631687294
Energy: 2.9802922245102104
Energy: 1.915900564039915
Energy: 2.2579904905054717
Energy: 2.6150685408368077
Energy: 1.915758898631117
Energy: 2.557264468238266
Energy: 1.9277773215685865
Energy: 2.1876796826232026
Energy: 1.9157639411155927
Energy: 1.9810828501514872
Energy: 1.8941364972625665
Energy: 2.5572644682394716
Energy: 1.9277773215703957
Energy: 2.1876796826225995
Energy: 1.915763941116196
Energy: 1.9808089555843564
Energy: 1.9159314160663896
Energy: 2.1877740949885034
Energy: 1.9272378198814513
Energy: 2.5587987874217504
Energy: 1.8929594231911118
Energy: 1.9808089555843564
Energy: 1.9159314160669927
Energy: 2.1877740949885034
Energy: 1.9272378198814513
Energy: 2.2002244030994826
Energy: 1.9164358282031029
Energy: 2.6151705885910546
Energy: 2.499398274260576
Energy: 1.916478304747317
Energy: 2.9802922245096077
Energy: 2.200224403100086
Energy: 1.9164358282025
Energy: 2.6151705885922607
Energy: 2.4993982742641947
Energy: 1.8919840058268564
Energy: 2.286628837568165
Energy: 1.9160368174136913
Energy: 2.897277754587377
Energy: 1.9158925502670934
Energy: 2.0123073740493345
Energy: 1.8919840058268564
Energy: 2.2866288375687684
Energy: 1.9160368174112792
Energy: 3.0139812217589483
Energy: 2.2001663168669094
Energy: 2.799881099555729
Energy: 1.915900564042327
Energy: 2.257990490506075
Energy: 2.6150685408368077
Energy: 1.9157588986377507
Energy: 2.200166316872337
Energy: 2.9802922245096077
Energy: 1.9159005640387083
Energy: 2.1518776756395983
Energy: 1.9810828501605335
Energy: 1.8941364972631696
Energy: 2.557264468240075
Energy: 1.9277773215661742
Energy: 2.1876796826225995
Energy: 1.9157639411155927
Energy: 1.9810828501563118
Energy: 1.8941364972637729
Energy: 2.557264468240678
Energy: 1.9277773215691896
Energy: 2.5587987874211473
Energy: 1.8929594231917148
Energy: 1.9808089555861654
Energy: 1.9159314160669927
Energy: 2.187774094989107
Energy: 1.927237819880848
Energy: 2.5587987874193385
Energy: 1.8929594231911118
Energy: 1.9808089555837531
Energy: 1.9159314160669927
Energy: 1.916478304747317
Energy: 2.980292224509005
Energy: 2.2002244030994826
Energy: 1.9164358281958658
Energy: 2.6151705885922607
Energy: 2.499398274262385
Energy: 1.9164783047467138
Energy: 2.9802922245096077
Energy: 2.2002244031012923
Energy: 1.9164358281934533
Energy: 1.9158925502670934
Energy: 2.105035843573039
Energy: 1.8919840058268564
Energy: 2.28662883757055
Energy: 1.9160368174112792
Energy: 2.897277754586171
Energy: 1.9158925502670934
Energy: 2.0123073740535555
Energy: 1.8919840058262534
Energy: 2.2866288375693715
Energy: 2.615068540837411
Energy: 1.9157588986594625
Energy: 2.2001663168741463
Energy: 2.6941900008723207
Energy: 1.915900564039915
Energy: 2.1518776756395983
Energy: 2.6150685408368077
Energy: 1.9157588986220702
Energy: 2.2001663168699244
Energy: 2.9802922245096077

minimum gb energy = 1.8919840058262534 eV
minimum distance =  2.51164997236566 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.6631276741674768
Energy: 2.556338465229269
Energy: 2.325021746144121
Energy: 2.9206715959246763
Energy: 2.324980256398269
Energy: 2.3894826410315266
Energy: 2.6631276741674768
Energy: 2.556338465229269
Energy: 2.325021746144121
Energy: 2.8403106255640544
Energy: 2.404568222879892
Energy: 2.5148781753850034
Energy: 2.3827942386860985
Energy: 2.2844631074156285
Energy: 2.3162090268824445
Energy: 2.374026298904554
Energy: 2.404568222879892
Energy: 2.514878175387737
Energy: 2.3827942386888328
Energy: 2.2844631074156285
Energy: 2.4091608896513272
Energy: 2.523563019886487
Energy: 2.715747010941094
Energy: 2.385214933791612
Energy: 2.6351671286148393
Energy: 2.403476348370632
Energy: 2.4091608896513272
Energy: 2.5235630198837535
Energy: 2.715747010941094
Energy: 2.385214933791612
Energy: 2.464575499102462
Energy: 2.564039183302225
Energy: 2.2806307406341038
Energy: 2.2809804418877926
Energy: 2.4581241449839495
Energy: 2.2646470725469183
Energy: 2.464575499099728
Energy: 2.564039183302225
Energy: 2.2806307406341038
Energy: 2.2809804418877926
Energy: 2.4876734659423017
Energy: 2.4909845474427317
Energy: 2.3637392581829615
Energy: 2.4856222469384686
Energy: 2.2495586320468957
Energy: 2.2118098028604205
Energy: 2.4876734659423017
Energy: 2.4909845474427317
Energy: 2.3637392581829615
Energy: 2.4856222469384686
Energy: 2.5000363598524245
Energy: 2.5042879223256733
Energy: 2.4382445102591985
Energy: 2.6730754133777697
Energy: 2.25322149577354
Energy: 2.6093893119753027
Energy: 2.5000363598524245
Energy: 2.50428792232294
Energy: 2.4382445102591985
Energy: 2.6730754133777697
Energy: 2.4825628342445243
Energy: 2.3969144252659875
Energy: 2.3868418364438635
Energy: 2.3091505175660143
Energy: 2.2899688179892275
Energy: 2.378636064852306
Energy: 2.482562834247258
Energy: 2.3969144252659875
Energy: 2.3868418364438635
Energy: 2.3091505175660143
Energy: 2.7468754275769216
Energy: 2.649849108522166
Energy: 2.5215929874026126
Energy: 2.329042662268826
Energy: 2.872938956366291
Energy: 2.4283388501182794
Energy: 2.7468754275769216
Energy: 2.6498491085249003
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Energy: 2.329042662268826
Energy: 2.4671815235667323
Energy: 2.4010062707680535
Energy: 2.5608044824710294
Energy: 2.4254500741536082
Energy: 2.261298484168288
Energy: 2.247649953856264
Energy: 2.4671815235639984
Energy: 2.4010062707680535
Energy: 2.5608044824737632
Energy: 2.4254500741536082
Energy: 2.314332664669102
Energy: 2.3810009443054896
Energy: 2.5695996403697023
Energy: 2.6189104937910526
Energy: 2.4221512077355123
Energy: 2.7049478978417723
Energy: 2.314332664669102
Energy: 2.3810009443027553
Energy: 2.5695996403697023
Energy: 2.6189104937910526
Energy: 2.267783177075118
Energy: 2.3923584511506006
Energy: 2.414789080753653
Energy: 2.44714232705546
Energy: 2.285667466643216
Energy: 2.31164083694937
Energy: 2.267783177075118
Energy: 2.3923584511506006
Energy: 2.4147890807509196
Energy: 2.44714232705546
Energy: 2.228916351025415
Energy: 2.422172942982107
Energy: 2.5864895713575224
Energy: 2.391639475515852
Energy: 2.511940223870348
Energy: 2.267162159245331
Energy: 2.2289163510226815
Energy: 2.422172942979373
Energy: 2.5864895713602563
Energy: 2.39163947552132
Energy: 2.7100350827889597
Energy: 2.504646877043701
Energy: 2.5040371133557455
Energy: 2.5215085269572395
Energy: 2.2226311642851866
Energy: 2.254256864251717
Energy: 2.7100350827889597
Energy: 2.504646877043701
Energy: 2.5040371133557455
Energy: 2.5215085269572395
Energy: 2.2941143516865354
Energy: 2.4527142870385408
Energy: 2.3933378409588815
Energy: 2.5377543428465885
Energy: 2.288225873935319
Energy: 2.3566342715630966
Energy: 2.2941143516865354
Energy: 2.4527142870385408
Energy: 2.393337840956147
Energy: 2.5377543428438547
Energy: 2.4373523063838394
Energy: 2.7627175116712084
Energy: 2.5291864183110824
Energy: 2.4285447900341848
Energy: 2.4083458828830584
Energy: 2.8703451014981907
Energy: 2.4373523063838394
Energy: 2.7627175116712084
Energy: 2.5291864183110824
Energy: 2.4285447900341848
Energy: 2.2490979322715092
Energy: 2.394042918896358
Energy: 2.507288111037842
Energy: 2.479241960233532
Energy: 2.513155222758536
Energy: 2.3198474544426437
Energy: 2.2490979322715092
Energy: 2.394042918896358
Energy: 2.507288111037842
Energy: 2.479241960230798
Energy: 2.7188727583433288
Energy: 2.3269663571500887
Energy: 2.486722707853832
Energy: 2.5968992973484126
Energy: 2.529469522465392
Energy: 2.4564515066133223
Energy: 2.7188727583433288
Energy: 2.3269663571500887
Energy: 2.4867227078565657
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Energy: 2.3135888450854756
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Energy: 2.3670475761565672
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Energy: 2.245248289449985
Energy: 2.3691343232363185
Energy: 2.409985328944582
Energy: 2.4944404239009397
Energy: 2.555867283798524
Energy: 2.7120991027072323
Energy: 2.245248289449985
Energy: 2.3691343232363185
Energy: 2.4099853289418482
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Energy: 2.296085445616444
Energy: 2.798289558684806
Energy: 2.4870517700905292
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Energy: 2.5200634821683288
Energy: 2.2024025559961333
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Energy: 2.4767881675031527
Energy: 2.4124031532059496
Energy: 2.2438355513135257
Energy: 2.3004454244937342
Energy: 2.5522589442617414
Energy: 2.4963771799564305
Energy: 2.28115608070999
Energy: 2.4124031532059496
Energy: 2.2438355513135257
Energy: 2.3004454244937342
Energy: 2.5522589442617414
Energy: 2.5650158907998692
Energy: 2.3765141801524248
Energy: 2.75833473596241
Energy: 2.4617599848145106
Energy: 2.432709005198594
Energy: 2.438392932834813
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Energy: 2.3765141801524248
Energy: 2.75833473596241
Energy: 2.4617599848090435
Energy: 2.315892045369928
Energy: 2.2568394812866464
Energy: 2.4017749470542293
Energy: 2.498759251078174
Energy: 2.4130444270914446
Energy: 2.4036077520711747
Energy: 2.315892045369928
Energy: 2.2568394812866464
Energy: 2.4017749470542293
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Energy: 2.4419369497426104
Energy: 2.7998587021556203
Energy: 2.2853824283431905
Energy: 2.4652354789525712
Energy: 2.6519365562560404
Energy: 2.5187761096164465
Energy: 2.4419369497426104
Energy: 2.7998587021556203
Energy: 2.2853824283431905
Energy: 2.4652354789525712
Energy: 2.4103748112649823
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Energy: 2.2572841972358106
Energy: 2.452933182045356
Energy: 2.400308594414486
Energy: 2.5119347214030374
Energy: 2.4103748112649823
Energy: 2.3865106187737273
Energy: 2.257284197238545
Energy: 2.452933182045356
Energy: 2.5778183987842738
Energy: 2.3050211146961073
Energy: 2.2833817947471573
Energy: 2.3249787430464837
Energy: 2.4544038872524645
Energy: 2.5648524446365846
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Energy: 2.308984032165288
Energy: 2.2806214908612974
Energy: 2.3911065508857665
Energy: 2.3798573276964765
Energy: 2.495389231360166
Energy: 2.522662074733462
Energy: 2.308984032168022
Energy: 2.2806214908612974
Energy: 2.3911065508885
Energy: 2.3798573276964765
Energy: 2.2129358167244093
Energy: 2.46205642910952
Energy: 2.252015188506304
Energy: 2.2352313821613237
Energy: 2.493009271691102
Energy: 2.4756345947290748
Energy: 2.2129358167244093
Energy: 2.46205642910952
Energy: 2.252015188506304
Energy: 2.2352313821613237
Energy: 2.5272792264295663
Energy: 2.629686529617161
Energy: 2.3912351822629256
Energy: 2.7407782853009093
Energy: 2.499401785773007
Energy: 2.495675808542186
Energy: 2.5272792264295663
Energy: 2.629686529617161
Energy: 2.3912351822629256
Energy: 2.7407782853009093
Energy: 2.36625061570677
Energy: 2.396741567474113
Energy: 2.303466656173674
Energy: 2.295818582489868
Energy: 2.4298124095135263
Energy: 2.3539349600362693
Energy: 2.3662506157095033
Energy: 2.396741567474113
Energy: 2.3034666561764077
Energy: 2.295818582489868
Energy: 2.5120429782939984
Energy: 2.418395210906162
Energy: 2.677729207241027
Energy: 2.2846175785297578
Energy: 2.624020076513639
Energy: 2.5349582169640703
Energy: 2.512042978296732
Energy: 2.4183952109088964
Energy: 2.677729207241027
Energy: 2.2846175785297578
Energy: 2.489035175405841
Energy: 2.430153473766641
Energy: 2.2560518420435587
Energy: 2.243709257735271
Energy: 2.4456318902259095
Energy: 2.3998632913444333
Energy: 2.4890351754003732
Energy: 2.430153473766641
Energy: 2.2560518420435587
Energy: 2.243709257735271
Energy: 2.4485041639279737
Energy: 2.451553758428251
Energy: 2.417496992078185
Energy: 2.27697310748671
Energy: 2.310485113109241
Energy: 2.358763534946286
Energy: 2.448504163936175
Energy: 2.451553758428251
Energy: 2.417496992078185
Energy: 2.27697310748671
Energy: 2.453235060554572
Energy: 2.404121256535342
Energy: 2.3270042383535645
Energy: 2.304266172286583
Energy: 2.3021906386863393
Energy: 2.3655913953959047
Energy: 2.453235060532751
Energy: 2.404121256535342
Energy: 2.3270042383535645
Energy: 2.304266172283849
Energy: 2.5485908151003525
Energy: 2.366411900261214
Energy: 2.4716397539182107
Energy: 2.2427807285705645
Energy: 2.2457451660835908
Energy: 2.3951838964777683
Energy: 2.5485908151030863
Energy: 2.366411900261214
Energy: 2.4716397539182107
Energy: 2.2427807285705645
Energy: 2.5148992282879545
Energy: 2.548264436880209
Energy: 2.503782775939249
Energy: 2.284319925922389
Energy: 2.6697160875730126
Energy: 2.434761887333869
Energy: 2.5148992282852207
Energy: 2.548264436880209
Energy: 2.503782775939249
Energy: 2.2843199259251223
Energy: 2.402806205014108
Energy: 2.3868634732477836
Energy: 2.4299695033694615
Energy: 2.408315959506976
Energy: 2.3144036706118882
Energy: 2.3924842888207105
Energy: 2.4028062050168417
Energy: 2.38686347324505
Energy: 2.4299695033694615
Energy: 2.408315959504242
Energy: 2.524714227781612
Energy: 2.403521865114414
Energy: 2.4216693879661535
Energy: 2.744563197560456
Energy: 2.4377619125911556
Energy: 2.770151132459135
Energy: 2.524714227781612
Energy: 2.40352186511173
Energy: 2.4216693879634192
Energy: 2.744563197560456
Energy: 2.2590443759355705
Energy: 2.4918746023907987
Energy: 2.4894259621914094
Energy: 2.228053484440431
Energy: 2.249945344886611
Energy: 2.443025865234008
Energy: 2.2590443759355705
Energy: 2.491874602388065
Energy: 2.4894259621914094
Energy: 2.228053484440431
Energy: 2.2861912518017324
Energy: 2.574902240532171
Energy: 2.548448919898841
Energy: 2.4684458774685214
Energy: 2.436463127765599
Energy: 2.282496275379593
Energy: 2.2861912518017324
Energy: 2.574902240532171
Energy: 2.548448919901575
Energy: 2.4684458774685214
Energy: 2.527790536003894
Energy: 2.4299241021676914
Energy: 2.5214492162063946
Energy: 2.329484209295179
Energy: 2.28446127100984
Energy: 2.2861051311543537
Energy: 2.52779053600116
Energy: 2.4299241021622238
Energy: 2.5214492162063946
Energy: 2.329484209295179
Energy: 2.330237699061611
Energy: 2.4644002826300504
Energy: 2.4097283303658568
Energy: 2.4864451784572745
Energy: 2.2485901261413215
Energy: 2.393438931490534
Energy: 2.330237699064345
Energy: 2.464400282627316
Energy: 2.4097283303658568
Energy: 2.4864451784572745
Energy: 2.4468411110920982
Energy: 2.5268042372595074
Energy: 2.5553460759507742
Energy: 2.2904249923591733
Energy: 2.2811474233221105
Energy: 2.6004353056943237
Energy: 2.4468411110920982
Energy: 2.5268042372567736
Energy: 2.5553460759453066
Energy: 2.2904249923591733
Energy: 2.3125999563129853
Energy: 2.4867118446641054
Energy: 2.468513964234025
Energy: 2.4732167948925494
Energy: 2.3934653002200985
Energy: 2.25275626440911
Energy: 2.312599956310251
Energy: 2.4867118446613716
Energy: 2.468513964234025
Energy: 2.4732167948925494
Energy: 2.7822899061718926
Energy: 2.419638837488106
Energy: 2.4138237063658656
Energy: 2.532621811110535
Energy: 2.759939943392312
Energy: 2.4368062084287723
Energy: 2.7822899061718926
Energy: 2.419638837488106
Energy: 2.4138237063658656
Energy: 2.532621811110535
Energy: 2.409791119377283
Energy: 2.2675477079222
Energy: 2.3935894987006625
Energy: 2.4016693775459275
Energy: 2.4044384993185206
Energy: 2.243576336130698
Energy: 2.409791119377283
Energy: 2.2675477079222
Energy: 2.3935894987006625
Energy: 2.401669377543193
Energy: 2.2970882086486797
Energy: 2.247615617824754
Energy: 2.5548278556778072
Energy: 2.5933846660569695
Energy: 2.4873305339395504
Energy: 2.668672040318965
Energy: 2.2970882086486797
Energy: 2.247615617824754
Energy: 2.5548278556778072
Energy: 2.5933846660569695
Energy: 2.243360753528325
Energy: 2.4616098458739306
Energy: 2.4238946028092085
Energy: 2.70345049025542
Energy: 2.411825677144743
Energy: 2.380283288236957
Energy: 2.243360753528325
Energy: 2.4616098458739306
Energy: 2.4238946028119424
Energy: 2.70345049025542
Energy: 2.3020543934440667
Energy: 2.3274167409529305
Energy: 2.393186064631798
Energy: 2.457913482566998
Energy: 2.391319852459158
Energy: 2.2396239277708645
Energy: 2.3020543934440667
Energy: 2.3274167409556643
Energy: 2.393186064631798
Energy: 2.457913482569732

minimum gb energy = 2.2024025559961333 eV
minimum distance =  2.43307308443822 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.4922063573714297
Energy: 2.574524926311437
Energy: 2.4121215286377145
Energy: 2.9646478146384734
Energy: 2.4282358227037624
Energy: 2.30039083756335
Energy: 2.492206357372426
Energy: 2.574524926311437
Energy: 2.4121215286377145
Energy: 2.7212477117897493
Energy: 2.408049955159701
Energy: 2.514679729627168
Energy: 2.4160626722286676
Energy: 2.32342298853758
Energy: 2.373308115405531
Energy: 2.4555032000074277
Energy: 2.408049955157709
Energy: 2.51467972962916
Energy: 2.4160626722286676
Energy: 2.32342298853758
Energy: 2.218413177736549
Energy: 2.382648448971147
Energy: 2.7232135115010565
Energy: 2.3145108309761686
Energy: 2.483658424593918
Energy: 2.4429856430310593
Energy: 2.2184131777355534
Energy: 2.382648448970151
Energy: 2.7232135115020526
Energy: 2.3145108309761686
Energy: 2.3679902772473396
Energy: 2.412383246205758
Energy: 2.314390332722109
Energy: 2.298283463934482
Energy: 2.376655485845504
Energy: 2.378970141894481
Energy: 2.3679902772453474
Energy: 2.412383246205758
Energy: 2.3143903327231046
Energy: 2.298283463936474
Energy: 2.4239095205911996
Energy: 2.412257607520106
Energy: 2.3797094725398966
Energy: 2.5340519583370376
Energy: 2.2720386353912514
Energy: 2.3966775283295596
Energy: 2.4239095205911996
Energy: 2.4122576075211026
Energy: 2.3797094725398966
Energy: 2.5340519583370376
Energy: 2.3317349982308455
Energy: 2.464151054562611
Energy: 2.33739513249109
Energy: 2.4350290814170825
Energy: 2.2543907604142133
Energy: 2.5134398182857542
Energy: 2.3317349982278577
Energy: 2.4641510545616154
Energy: 2.3373951324920856
Energy: 2.4350290814180786
Energy: 2.7095787146304815
Energy: 2.3896968379538523
Energy: 2.5260706734500844
Energy: 2.29140336071901
Energy: 2.339024517989863
Energy: 2.384814866249186
Energy: 2.7095787146314776
Energy: 2.3896968379538523
Energy: 2.5260706734510805
Energy: 2.29140336071901
Energy: 2.337511392341511
Energy: 2.4414131420648157
Energy: 2.635275678139256
Energy: 2.296528452179653
Energy: 2.844912820511934
Energy: 2.413989741941459
Energy: 2.3375113923425066
Energy: 2.44141314206382
Energy: 2.63527567813826
Energy: 2.296528452180649
Energy: 2.449712005669752
Energy: 2.406216400358895
Energy: 2.62244662160262
Energy: 2.344899650320627
Energy: 2.4253815144983943
Energy: 2.5859807279559552
Energy: 2.4497120056687556
Energy: 2.406216400357899
Energy: 2.622446621601624
Energy: 2.344899650321623
Energy: 2.5356834295213893
Energy: 2.38493776168895
Energy: 2.3707245665809276
Energy: 2.5397507386976206
Energy: 2.4000495682923217
Energy: 2.8925632050858763
Energy: 2.535683429520393
Energy: 2.384937761687954
Energy: 2.3707245665809276
Energy: 2.5397507386976206
Energy: 2.747175086491443
Energy: 2.424327214535488
Energy: 2.4208685190419303
Energy: 2.3126652335922686
Energy: 2.3464047067505924
Energy: 2.4275983985280503
Energy: 2.747175086491443
Energy: 2.424327214535488
Energy: 2.4208685190419303
Energy: 2.312665233591273
Energy: 2.352296704741144
Energy: 2.474073978501884
Energy: 2.6504555527757483
Energy: 2.3141681954419515
Energy: 2.804570343578855
Energy: 2.431124156027704
Energy: 2.352296704740148
Energy: 2.474073978501884
Energy: 2.650455552774752
Energy: 2.3141681954419515
Energy: 2.2179660673791917
Energy: 2.418244914312261
Energy: 2.382133693580868
Energy: 2.3089743408831844
Energy: 2.3768890789915265
Energy: 2.454021292713979
Energy: 2.2179660673771995
Energy: 2.418244914311265
Energy: 2.382133693581864
Energy: 2.3089743408831844
Energy: 2.4732059643991104
Energy: 2.7235366642331895
Energy: 2.4330113980659287
Energy: 2.5473827747945665
Energy: 2.3337158139690954
Energy: 2.442568344583478
Energy: 2.4732059643991104
Energy: 2.7235366642331895
Energy: 2.4330113980659287
Energy: 2.5473827747945665

minimum gb energy = 2.2179660673771995 eV
minimum distance =  2.35416102622042 Angstroms
sigma value = 33