Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6149601638317113
cohesive_energy=3.540273359423524
mass=63.546
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: 0.015489793734140028
Energy: 0.2720580731534833
Energy: 0.2720580731520377
Energy: 0.015489793734140028
Energy: 0.2720580731520377
Energy: 0.2720580731520377
Energy: 0.015489793735585572
Energy: 0.2720580731534833
Energy: 0.2720580731520377
Energy: 0.015489793735585572
Energy: 0.2695050486147902
Energy: 0.018417015153424504
Energy: 0.2715023268722147
Energy: 0.2695050486118991
Energy: 0.018417015153424504
Energy: 0.27150232687076914
Energy: 0.2695050486147902
Energy: 0.018417015153424504
Energy: 0.27150232687076914
Energy: 0.2695050486133446
Energy: 1.0423602006695973
Energy: 0.016314962136548344
Energy: 0.016314962136548344
Energy: 1.042360200668152
Energy: 0.01631496213799389
Energy: 0.016314962136548344
Energy: 1.0443608132547009
Energy: 0.016314962136548344
Energy: 0.20071551026908996
Energy: 1.0671798138053465
Energy: 0.2695050486147902
Energy: 0.2715023268678781
Energy: 0.018417015153424504
Energy: 0.2695050486118991
Energy: 0.27150232687076914
Energy: 0.018417015153424504
Energy: 0.2695050486133446
Energy: 0.2715023268693236
Energy: 0.018417015153424504
Energy: 0.2695050486133446
Energy: 0.015489793737031117
Energy: 0.2720580731534833
Energy: 0.2720580731520377
Energy: 0.015489793737031117
Energy: 0.2720580731520377
Energy: 0.2720580731534833
Energy: 0.015489793737031117
Energy: 0.2720580731534833
Energy: 0.2720580731520377
Energy: 0.015489793737031117
Energy: 0.2695050486147902
Energy: 0.018417015151978963
Energy: 0.2715023268693236
Energy: 0.2695050486133446
Energy: 0.018417015151978963
Energy: 0.27150232687076914
Energy: 0.2695050486147902
Energy: 0.018417015153424504
Energy: 0.2715023268693236
Energy: 0.2695050486118991
Energy: 1.1325646091568962
Energy: 0.016314962136548344
Energy: 0.4012728036130382
Energy: 1.1325646091525594
Energy: 0.016314962136548344
Energy: 0.4012728036130382
Energy: 1.0356447230798556
Energy: 0.01631496213799389
Energy: 0.408052684402091
Energy: 1.285013299113991

minimum gb energy = 0.015489793734140028 eV
minimum distance =  2.34493979360148 Angstroms
sigma value = 3


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

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Energy: 0.7287982713006536
Energy: 0.7286426931451992
Energy: 0.6252457358684407
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Energy: 0.6743034844118514
Energy: 0.7142382457186609
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Energy: 0.7222244406280159
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Energy: 0.6298768971248992
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Energy: 0.7286426931441048
Energy: 0.6991641293870982
Energy: 0.7287982713023918
Energy: 0.7286426931423666
Energy: 0.6298768971231611
Energy: 0.7287982712971127
Energy: 0.7286426931451992
Energy: 0.6991641293846518
Energy: 0.6309030723275142
Energy: 0.6743034844076022
Energy: 0.714238245719691
Energy: 0.6309030723275142
Energy: 0.674303484406186
Energy: 0.7142382457179528
Energy: 0.630903072318308
Energy: 0.6743034844121731
Energy: 0.71423824571409
Energy: 0.6309030723190162
Energy: 0.7566164632956647
Energy: 0.7651817479420229
Energy: 0.7222245132166868
Energy: 0.6812544448582587
Energy: 0.7651817479296621
Energy: 0.7222254039418095
Energy: 0.7566164632981112
Energy: 0.7651817479271514
Energy: 0.7222229717175016
Energy: 0.6812544448578725
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Energy: 0.8155201560913975
Energy: 0.556683276998169
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Energy: 0.8155201560935219
Energy: 0.5566832770010016
Energy: 0.7279690722770209
Energy: 0.8155201560959684
Energy: 0.5566832769995853
Energy: 0.7279690722692309

minimum gb energy = 0.5405943421914717 eV
minimum distance =  2.42265917927942 Angstroms
sigma value = 75


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

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Energy: 0.6260824553436909
Energy: 0.6259256452332032
Energy: 0.7400040713735728
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minimum gb energy = 0.6259256452297476 eV
minimum distance =  2.253293430265 Angstroms
sigma value = 105


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

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Energy: 0.7598583852291605
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Energy: 0.741625055460514
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Energy: 0.750757458650511
Energy: 0.7416250554554462
Energy: 0.7598583852287707
Energy: 0.750757458655189
Energy: 0.7320918634687826
Energy: 0.8264855826260432
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Energy: 0.7320918634658767
Energy: 0.826318876479253
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Energy: 0.7320918634644946
Energy: 0.8264855826248737
Energy: 0.7411220328440825
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Energy: 0.8187760754640903
Energy: 0.7094563037134982
Energy: 0.7415588575280778
Energy: 0.8187760754658623
Energy: 0.7094720954948947
Energy: 0.7415588575266957
Energy: 0.8187760754687683
Energy: 0.7094563037111591
Energy: 0.7415588575243567
Energy: 0.8187760754682012
Energy: 0.7495092183460113
Energy: 0.7440449797506944
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Energy: 0.7498034121684981
Energy: 0.7495092183399512
Energy: 0.7440449797417282
Energy: 0.7498034121663717
Energy: 0.7495092183383919

minimum gb energy = 0.6993673916013198 eV
minimum distance =  2.38509321262394 Angstroms
sigma value = 165


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

Energy: 0.6933236982931559
Energy: 0.7586634944489897
Energy: 0.7586192902966339
Energy: 0.6933236982931559
Energy: 0.7586634944516664
Energy: 0.7586192903013179
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Energy: 0.6992752497448218
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Energy: 0.7805130027991776
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Energy: 0.7599200505172059
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Energy: 0.8389393261517785
Energy: 0.6988427212428002
Energy: 0.7605557933999922
Energy: 0.8389393261511093
Energy: 0.6988427212448076
Energy: 0.7605557933979848
Energy: 0.8389393261511093
Energy: 0.6988427212428002
Energy: 0.7605557933999922
Energy: 0.8389393261504401
Energy: 0.7591994151411039
Energy: 0.6835383748188079
Energy: 0.8319740906175275
Energy: 0.7591994151390964
Energy: 0.6835383966751215
Energy: 0.8319740906168583
Energy: 0.7591994151411039
Energy: 0.683538391747638
Energy: 0.8319740906181966
Energy: 0.7591994151384273
Energy: 0.760508915358967
Energy: 0.7804109803297846
Energy: 0.6991514224027485
Energy: 0.7605089153582979
Energy: 0.780410980332461
Energy: 0.6991514224014103
Energy: 0.760508915358967
Energy: 0.7804109803297846
Energy: 0.6991514224027485
Energy: 0.7605089153582979
Energy: 0.6933236982958325
Energy: 0.7586634944509971
Energy: 0.758619290297303
Energy: 0.6933236982958325
Energy: 0.7586634944530047
Energy: 0.758619290301987
Energy: 0.6933236982958325
Energy: 0.7586634944509971
Energy: 0.7586192902966339
Energy: 0.6933236982958325

minimum gb energy = 0.6835383748188079 eV
minimum distance =  2.37533238345989 Angstroms
sigma value = 41


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

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Energy: 0.7048280072922608
Energy: 0.7051845363718223
Energy: 0.7841267188807598
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Energy: 0.6167788679559446
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Energy: 0.6227458489952248
Energy: 0.7261338836755592
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Energy: 0.6227458489952248
Energy: 0.6156149461075641
Energy: 0.6335372632925669
Energy: 0.6347231863083611
Energy: 0.6156149461023716
Energy: 0.6335398466550947
Energy: 0.6344846545745647
Energy: 0.6156149461023716
Energy: 0.6335372633029519
Energy: 0.6347231863109575
Energy: 0.6156149461075641
Energy: 0.6193960535944718
Energy: 0.6349947455402392
Energy: 0.632777504896491
Energy: 0.6193960535866829
Energy: 0.6349978351143583
Energy: 0.6327775048990872
Energy: 0.6193960535840866
Energy: 0.6349947455298541
Energy: 0.632777504896491
Energy: 0.6193960535866829
Energy: 0.7516013522399871
Energy: 0.6388497199919766
Energy: 0.6271829536645024
Energy: 0.751601352237391
Energy: 0.6390460514827262
Energy: 0.6271829536645024
Energy: 0.751601352237391
Energy: 0.6388497199815913
Energy: 0.6271829536696948
Energy: 0.7516013522321984
Energy: 0.726402690581333
Energy: 0.7213632061324557
Energy: 0.6263923933474094
Energy: 0.726402690581333
Energy: 0.7213632061220705
Energy: 0.6263923933526019
Energy: 0.7264026905839294
Energy: 0.7213632061324557
Energy: 0.6263923933526019
Energy: 0.7264026905761406

minimum gb energy = 0.6132736885940824 eV
minimum distance =  2.37428989036824 Angstroms
sigma value = 185


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

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Energy: 0.3132892803242264
Energy: 0.31317840414938475
Energy: 0.43961647643822716
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Energy: 0.4535980170386534
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Energy: 0.3734859624089539
Energy: 0.4092987870674091
Energy: 0.3129154787724685
Energy: 0.37348596240648835
Energy: 0.40929878707110734
Energy: 0.31291547877431763
Energy: 0.3734859624083375
Energy: 0.40929878706895
Energy: 0.3129154787789405
Energy: 0.37348596240463916
Energy: 0.2595939811888084
Energy: 0.27620197981109895
Energy: 0.32252389709745133
Energy: 0.25959398118757565
Energy: 0.2762019798135645
Energy: 0.32252389710084145
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Energy: 0.27620197981263994
Energy: 0.32252389710084145
Energy: 0.25959398118850024
Energy: 0.4035370391316677
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Energy: 0.4371529374191304
Energy: 0.30819425883918034
Energy: 0.4035370391359823
Energy: 0.43715293742406147
Energy: 0.3081942588401049
Energy: 0.4035370391353659

minimum gb energy = 0.25959398118757565 eV
minimum distance =  2.39614663465197 Angstroms
sigma value = 33


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

Energy: 0.5848653521891187
Energy: 0.6283930882001287
Energy: 0.6287942415631719
Energy: 0.5632406616772191
Energy: 0.6283930882052042
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Energy: 0.6280549176304321
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Energy: 0.5750534156894961

minimum gb energy = 0.5470931580702093 eV
minimum distance =  2.31996352258201 Angstroms
sigma value = 219


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

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Energy: 0.844715311672431
Energy: 0.8118786974700439
Energy: 0.7377155273161828
Energy: 0.8447153116746705
Energy: 0.8118786974700439

minimum gb energy = 0.715266613829035 eV
minimum distance =  2.3406266724386 Angstroms
sigma value = 15


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

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minimum gb energy = 0.853158540727329 eV
minimum distance =  2.28712486842058 Angstroms
sigma value = 293


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

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Energy: 0.8434545670925169
Energy: 0.8429693392491096
Energy: 0.8964213374513557
Energy: 0.8434545670935285
Energy: 0.8429693392501212
Energy: 0.8437268206454567
Energy: 0.9046726279301203
Energy: 0.9035899789338318
Energy: 0.8437268206439392
Energy: 0.904672627930879
Energy: 0.903589978933326
Energy: 0.8437268206457096
Energy: 0.9046726279298674
Energy: 0.9035899789335788
Energy: 0.8437268206436863
Energy: 0.8970589364714179
Energy: 0.871728145891149
Energy: 0.8506475567467358
Energy: 0.8970589364719236
Energy: 0.8717281458916549
Energy: 0.8506475567464828
Energy: 0.897058936471165
Energy: 0.8717281458909191
Energy: 0.8506475567467358
Energy: 0.8970589364724294
Energy: 0.9073120837623126
Energy: 0.9103162855657904
Energy: 0.8430133685838596
Energy: 0.9073120837623126
Energy: 0.9103162855693312
Energy: 0.8430133685836066
Energy: 0.9073120837625426
Energy: 0.910316285566802
Energy: 0.8430133685838596
Energy: 0.9073120837620368
Energy: 0.8706247803753727
Energy: 0.8732940093214857
Energy: 0.8428322374919589
Energy: 0.8706247803763384
Energy: 0.8732940093222216
Energy: 0.8428322374914531
Energy: 0.8706247803750967
Energy: 0.8732940093212099
Energy: 0.842832237491706
Energy: 0.8706247803761085
Energy: 0.9063766935483667
Energy: 0.8897525513922698
Energy: 0.8473959229135962
Energy: 0.9063766935473551
Energy: 0.8897525513960637
Energy: 0.8473959229133433
Energy: 0.9063766935461136
Energy: 0.8897525513920169
Energy: 0.8473959229135962
Energy: 0.9063766935463665
Energy: 0.8652522033120607
Energy: 0.8746205892789856
Energy: 0.8746521096430815
Energy: 0.8652522033128194
Energy: 0.8746205892789856
Energy: 0.8746521096438402
Energy: 0.8652522033125665
Energy: 0.8746205892787327
Energy: 0.8746521096435873
Energy: 0.8652522033128194
Energy: 0.9065290530006511
Energy: 0.8473977647750613
Energy: 0.8899480156505247
Energy: 0.9065290530014098
Energy: 0.8473977647755673
Energy: 0.8899480156515363
Energy: 0.9065290530021686
Energy: 0.8473977647755673
Energy: 0.8899480156510304
Energy: 0.9065290529976162
Energy: 0.8708036280733111
Energy: 0.842843444569596
Energy: 0.873329128059006
Energy: 0.8708036280740469
Energy: 0.8428434445701019
Energy: 0.873329128058776
Energy: 0.8708036280735411
Energy: 0.8428434445693431
Energy: 0.8733291280569828
Energy: 0.8708036280735411
Energy: 0.9072823850026644
Energy: 0.8430252232060036
Energy: 0.9095552512018183
Energy: 0.9072823850018827
Energy: 0.8430252232057507
Energy: 0.9095552511990364
Energy: 0.9072823850026644
Energy: 0.8430252232057507
Energy: 0.9095552512013125
Energy: 0.9072823850018827
Energy: 0.8970861150936232
Energy: 0.8506652425585618
Energy: 0.8717297595146951
Energy: 0.8970861150938761
Energy: 0.8506652425583089
Energy: 0.871729759514971
Energy: 0.8970861150933702
Energy: 0.8506652425585618
Energy: 0.8717297595146951
Energy: 0.8970861150938761
Energy: 0.843704455219131
Energy: 0.9037243134763656
Energy: 0.904649008040007
Energy: 0.8437044552193838
Energy: 0.9037243134768714
Energy: 0.9046490080410188
Energy: 0.8437044552193838
Energy: 0.9037243134776303
Energy: 0.904649008040007
Energy: 0.8437044552186251
Energy: 0.8429658083023241
Energy: 0.8434329203687629
Energy: 0.8962506317180685
Energy: 0.8429658083035887
Energy: 0.8434329203700277
Energy: 0.8962506317175627
Energy: 0.8429658083033358
Energy: 0.8434329203700277
Energy: 0.8962506317175627
Energy: 0.8429658083025771
Energy: 0.9346942294830214
Energy: 0.891771985261044
Energy: 0.8917552659810251
Energy: 0.9346942294820096
Energy: 0.8917719852618027
Energy: 0.8917552659797605
Energy: 0.9346942294845387
Energy: 0.891771985261044
Energy: 0.8917552659817837
Energy: 0.9346942294822626
Energy: 0.8429693392498683
Energy: 0.8964213374518615
Energy: 0.8434545670920109
Energy: 0.8429693392496154
Energy: 0.8964213374508498
Energy: 0.8434545670942872
Energy: 0.8429693392498683
Energy: 0.8964213374518615
Energy: 0.8434545670927698
Energy: 0.8429693392491096
Energy: 0.843726820644445
Energy: 0.904672627930879
Energy: 0.9035899789363611
Energy: 0.843726820647733
Energy: 0.9046726279301203
Energy: 0.9035899789363611
Energy: 0.843726820644445
Energy: 0.904672627930879
Energy: 0.9035899789368669
Energy: 0.8437268206459626
Energy: 0.8970589364716708
Energy: 0.871728145891425
Energy: 0.8506475567462299
Energy: 0.8970589364714179
Energy: 0.8717281458909191
Energy: 0.8506475567467358
Energy: 0.8970589364716708
Energy: 0.871728145891425
Energy: 0.8506475567462299
Energy: 0.8970589364714179
Energy: 0.9073120837623126
Energy: 0.9103162855662962
Energy: 0.8430133685836066
Energy: 0.9073120837623126
Energy: 0.9103162855690783
Energy: 0.8430133685841125
Energy: 0.9073120837620368
Energy: 0.9103162855693312
Energy: 0.8430133685838596
Energy: 0.9073120837623126

minimum gb energy = 0.8428322374912232 eV
minimum distance =  2.32042295840589 Angstroms
sigma value = 293


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

Energy: 0.882904385543886
Energy: 0.8867257086635189
Energy: 0.8842649127264233
Energy: 0.8829043855452573
Energy: 0.8867257086630619
Energy: 0.884264912725509
Energy: 0.8829043855443429
Energy: 0.8867257086626047
Energy: 0.8842649127250519
Energy: 0.882904385543886
Energy: 0.8818409882960258
Energy: 0.8838216239607489
Energy: 0.8833147817344581
Energy: 0.881840988297397
Energy: 0.8838216239593776
Energy: 0.8833147817344581
Energy: 0.8818409882946543
Energy: 0.883821623961206
Energy: 0.8833147817312582
Energy: 0.8818409882951113
Energy: 0.8832775596174325
Energy: 0.8840042143208957
Energy: 1.0077708554003422
Energy: 0.8832775596160611
Energy: 0.8840042143208957
Energy: 1.007770855403085
Energy: 0.8832775596160611
Energy: 0.8840042143208957
Energy: 1.0077708554007994
Energy: 0.8832775596201753
Energy: 1.0077438701804606
Energy: 0.8839883926122297
Energy: 0.8833950571395376
Energy: 1.0077438701800034
Energy: 0.8839883926104011
Energy: 0.8833950571422803
Energy: 1.007743870181375
Energy: 0.8839883926090297
Energy: 0.883395057141366
Energy: 1.0077438701804606
Energy: 0.8830940636362745
Energy: 0.8838206618692909
Energy: 0.8820301958860495
Energy: 0.8830940636376459
Energy: 0.8838206618692909
Energy: 0.882030195884678
Energy: 0.8830940636371888
Energy: 0.8838206618697481
Energy: 0.8820301958842209
Energy: 0.8830940636358175
Energy: 0.8867257086621474
Energy: 0.8842649127250519
Energy: 0.8829043855448002
Energy: 0.8867257086635189
Energy: 0.8842649127264233
Energy: 0.882904385543886
Energy: 0.8867257086626047
Energy: 0.8842649127250519
Energy: 0.8829043855448002
Energy: 0.8867257086630619
Energy: 0.8838216239598347
Energy: 0.8833147817353725
Energy: 0.8818409882960258
Energy: 0.8838216239607489
Energy: 0.883314781734001
Energy: 0.8818409882951113
Energy: 0.8838216239598347
Energy: 0.8833147817349152
Energy: 0.8818409882960258
Energy: 0.8838216239607489
Energy: 0.8840042143204385
Energy: 1.007770855402628
Energy: 0.8832775596146898
Energy: 0.8840042143199814
Energy: 1.0077708554012565
Energy: 0.8832775596165183
Energy: 0.8840042143195243
Energy: 1.007770855402628
Energy: 0.8832775596197181
Energy: 0.8840042143195243
Energy: 0.8839883926126868
Energy: 0.8833950571404517
Energy: 1.0077438701800034
Energy: 0.8839883926067441
Energy: 0.8833950571422803
Energy: 1.0077438701804606
Energy: 0.8839883926122297
Energy: 0.8833950571418231
Energy: 1.0077438701800034
Energy: 0.8839883926076585
Energy: 0.8838206618688338
Energy: 0.8820301958855924
Energy: 0.8830940636376459
Energy: 0.8838206618697481
Energy: 0.8820301958865067
Energy: 0.883094063638103
Energy: 0.8838206618692909
Energy: 0.8820301958823925
Energy: 0.8830940636367317
Energy: 0.8838206618692909
Energy: 0.8842649127245948
Energy: 0.8829043855443429
Energy: 0.8867257086626047
Energy: 0.8842649127268803
Energy: 0.8829043855443429
Energy: 0.886725708663976
Energy: 0.8842649127236805
Energy: 0.8829043855452573
Energy: 0.8867257086626047
Energy: 0.8842649127259661
Energy: 0.8833147817326297
Energy: 0.8818409882960258
Energy: 0.8838216239593776
Energy: 0.8833147817326297
Energy: 0.8818409882969399
Energy: 0.883821623961206
Energy: 0.8833147817330869
Energy: 0.881840988293283
Energy: 0.8838216239593776
Energy: 0.8833147817330869
Energy: 1.0077708554007994
Energy: 0.8832775596165183
Energy: 0.8840042143222671
Energy: 1.007770855403085
Energy: 0.8832775596165183
Energy: 0.8840042143208957
Energy: 1.0077708554007994
Energy: 0.8832775596151469
Energy: 0.8840042143195243
Energy: 1.007770855403085
Energy: 0.883395057141366
Energy: 1.007743870181375
Energy: 0.8839883926085728
Energy: 0.8833950571381661
Energy: 1.0077438701804606
Energy: 0.8839883926113155
Energy: 0.8833950571390804
Energy: 1.0077438701800034
Energy: 0.8839883926149723
Energy: 0.8833950571399948
Energy: 0.882030195884678
Energy: 0.8830940636367317
Energy: 0.8838206618692909
Energy: 0.8820301958865067
Energy: 0.8830940636385601
Energy: 0.8838206618697481
Energy: 0.882030195884678
Energy: 0.8830940636376459
Energy: 0.8838206618697481
Energy: 0.8820301958851353
Energy: 0.8829043855443429
Energy: 0.8867257086644331
Energy: 0.8842649127241377
Energy: 0.8829043855452573
Energy: 0.8867257086621474
Energy: 0.8842649127245948
Energy: 0.8829043855443429
Energy: 0.8867257086621474
Energy: 0.8842649127245948
Energy: 0.8829043855452573
Energy: 0.8818409882969399
Energy: 0.8838216239607489
Energy: 0.883314781734001
Energy: 0.8818409882951113
Energy: 0.8838216239598347
Energy: 0.8833147817344581
Energy: 0.8818409882941971
Energy: 0.8838216239607489
Energy: 0.8833147817349152
Energy: 0.8818409882960258
Energy: 0.8832775596165183
Energy: 0.8840042143204385
Energy: 1.0077708554003422
Energy: 0.8832775596165183
Energy: 0.8840042143227241
Energy: 1.007770855402628
Energy: 0.8832775596151469
Energy: 0.8840042143213529
Energy: 1.0077708554003422
Energy: 0.8832775596174325
Energy: 1.0077438701804606
Energy: 0.8839883926072013
Energy: 0.8833950571422803
Energy: 1.0077438701800034
Energy: 0.8839883926117725
Energy: 0.8833950571418231
Energy: 1.0077438701809178
Energy: 0.8839883926104011
Energy: 0.8833950571427374
Energy: 1.0077438701804606
Energy: 0.8830940636403887
Energy: 0.8838206618697481
Energy: 0.8820301958814782
Energy: 0.8830940636394744
Energy: 0.8838206618688338
Energy: 0.8820301958837639
Energy: 0.8830940636390173
Energy: 0.8838206618697481
Energy: 0.882030195884678
Energy: 0.8830940636385601
Energy: 0.8867257086630619
Energy: 0.8842649127273374
Energy: 0.8829043855443429
Energy: 0.886725708663976
Energy: 0.8842649127245948
Energy: 0.8829043855452573
Energy: 0.8867257086635189
Energy: 0.884264912725509
Energy: 0.8829043855448002
Energy: 0.8867257086635189
Energy: 0.8838216239593776
Energy: 0.8833147817335438
Energy: 0.8818409882983113
Energy: 0.883821623961206
Energy: 0.8833147817330869
Energy: 0.8818409882946543
Energy: 0.8838216239593776
Energy: 0.883314781734001
Energy: 0.881840988297397
Energy: 0.8838216239607489

minimum gb energy = 0.881840988293283 eV
minimum distance =  2.33061678754517 Angstroms
sigma value = 15


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

Energy: 0.8958748689229538
Energy: 0.8552149271482188
Energy: 0.8826091510084041
Energy: 0.8781619837586467
Energy: 0.8552149271482188
Energy: 0.8826091510001157
Energy: 0.8958748689229538
Energy: 0.8552149271420023
Energy: 0.8826091510084041
Energy: 0.8781619837586467
Energy: 0.8972907881891137
Energy: 0.8540271729455252
Energy: 0.8463368304390704
Energy: 0.8972907881849694
Energy: 0.8540271729455252
Energy: 0.8463368304349262
Energy: 0.8972907881891137
Energy: 0.8540271729455252
Energy: 0.8463368304307819
Energy: 0.8972907881932578
Energy: 0.8858316270861226
Energy: 0.8583840484322638
Energy: 0.8905526566612367
Energy: 0.885831627090267
Energy: 0.8583840484426244
Energy: 0.8905526566488039
Energy: 0.8858316270840505
Energy: 0.8583840484446965
Energy: 0.890552656650876
Energy: 0.8858316270840505
Energy: 0.8397423682856288
Energy: 0.8382953519840909
Energy: 0.8351801370124233
Energy: 0.8397423682856288
Energy: 0.838295351986163
Energy: 0.8351801370103513
Energy: 0.839742368289773
Energy: 0.8382953519882351
Energy: 0.8351801370124233
Energy: 0.8397423682959894
Energy: 0.8484041468248466
Energy: 0.8552613687115165
Energy: 0.9135101263038624
Energy: 0.8484041468165581
Energy: 0.8552613687094445
Energy: 0.9135101262976462
Energy: 0.8484041468103417
Energy: 0.8552613687156607
Energy: 0.9135101262997183
Energy: 0.8484041468248466
Energy: 0.8744148946377116
Energy: 0.9225290470312432
Energy: 0.8315452896802866
Energy: 0.8744148946418182
Energy: 0.9225290470250269
Energy: 0.8315452896802866
Energy: 0.8744148946501067
Energy: 0.9225290470270989
Energy: 0.8315452896802866
Energy: 0.8744148946418182
Energy: 0.8849849195728987
Energy: 0.8963521712848155
Energy: 0.8977391812164283
Energy: 0.884944011172102
Energy: 0.8963521712868877
Energy: 0.8977391812226446
Energy: 0.8849849195728987
Energy: 0.8963521712848155
Energy: 0.8977391812226446
Energy: 0.884944011172102
Energy: 0.8503630382819877
Energy: 0.9192231346209536
Energy: 0.9031628474136244
Energy: 0.8503630382819877
Energy: 0.9192231346168092
Energy: 0.9031628474177685
Energy: 0.8503630382860942
Energy: 0.9192231346230256
Energy: 0.903162847407408
Energy: 0.8503630382840222
Energy: 0.8412135535387921
Energy: 0.8658847640536947
Energy: 0.8746191533023364
Energy: 0.8412135535429365
Energy: 0.8658847640557669
Energy: 0.8746191533126593
Energy: 0.8412135535429365
Energy: 0.8658847640661275
Energy: 0.8746191533044084
Energy: 0.8412135535325759
Energy: 0.8499147704380501
Energy: 0.8649958262936865
Energy: 0.8815600310048771
Energy: 0.8501532771314058
Energy: 0.8649958263019751
Energy: 0.8815600310131656
Energy: 0.8499147704442664
Energy: 0.8649958263040471
Energy: 0.8815600310090215
Energy: 0.8501532771251893
Energy: 0.84962981703779
Energy: 0.8230110295633527
Energy: 0.8929580713334071
Energy: 0.8496298170440063
Energy: 0.8230110295571363
Energy: 0.8929580713375515
Energy: 0.8496298170419342
Energy: 0.8230110295509201
Energy: 0.89295807134373
Energy: 0.84962981703779
Energy: 0.8892721607714519
Energy: 0.8268203751724105
Energy: 0.9755930483258741
Energy: 0.8892721607755962
Energy: 0.8268174097739883
Energy: 0.975593048323802
Energy: 0.8892721607652356
Energy: 0.826820375164122
Energy: 0.9755930483258741
Energy: 0.8892721607714519
Energy: 0.9264438195533721
Energy: 0.8318911511295348
Energy: 0.866560164199406
Energy: 0.9264438195512998
Energy: 0.8318911511171398
Energy: 0.8665601641869732
Energy: 0.9264438195575164
Energy: 0.8318911511212465
Energy: 0.8665601641973338
Energy: 0.9264438195554441
Energy: 0.831877450121461
Energy: 0.8316273774653326
Energy: 0.8248608585465327
Energy: 0.831877450121461
Energy: 0.8316273774736209
Energy: 0.8248608585465327
Energy: 0.8318774501193889
Energy: 0.8316273774777653
Energy: 0.8248608585465327
Energy: 0.8318774501338937
Energy: 0.8955699249283895
Energy: 0.8659466525305894
Energy: 0.8350137125974336
Energy: 0.8955699249387501
Energy: 0.8659466525347337
Energy: 0.8350151774645942
Energy: 0.8955699249325336
Energy: 0.8659466525347337
Energy: 0.8350137125850009
Energy: 0.8955699249283895
Energy: 0.8402323357601469
Energy: 0.8489087246441936
Energy: 0.9461120604911359
Energy: 0.8402323357684353
Energy: 0.8489087246379772
Energy: 0.9461120604890637
Energy: 0.8402323357705075
Energy: 0.8489087246296888
Energy: 0.9461120604890637
Energy: 0.8402323357642911
Energy: 0.8501323998487782
Energy: 0.9385084662433415
Energy: 0.8672611915431382
Energy: 0.850132399857029
Energy: 0.9385084662557366
Energy: 0.8672611915493544
Energy: 0.8501323998591012
Energy: 0.9385084662536645
Energy: 0.8672611915452102
Energy: 0.8501323998467062
Energy: 0.8411716067356886
Energy: 0.8443095905293226
Energy: 0.8440668507217968
Energy: 0.8411716067294721
Energy: 0.8443095905148178
Energy: 0.8440668507176525
Energy: 0.8411716067356886
Energy: 0.8443095905168898
Energy: 0.8440668507176525
Energy: 0.8411716067419048
Energy: 0.8398348649798796
Energy: 0.8251997998881868
Energy: 0.8568742635003366
Energy: 0.8398348649798796
Energy: 0.8251997998881868
Energy: 0.8568742635127694
Energy: 0.8398348649840237
Energy: 0.8251997998944033
Energy: 0.8568742635106972
Energy: 0.8398348649819517
Energy: 0.947167321089827
Energy: 0.8340633129234897
Energy: 0.8745435428070794
Energy: 0.9471673210939712
Energy: 0.8340633129193454
Energy: 0.8745435428132956
Energy: 0.9471673210939712
Energy: 0.834063312927634
Energy: 0.8745435428132956
Energy: 0.9471673210981154
Energy: 0.8837928201943444
Energy: 0.854167018062778
Energy: 0.9577038769333039
Energy: 0.883792820186056
Energy: 0.8541670180669222
Energy: 0.9577038769229435
Energy: 0.8837928201819117
Energy: 0.8541670180648501
Energy: 0.9577038769229435
Energy: 0.883792820186056
Energy: 0.8836409544285355
Energy: 0.8654596807238469
Energy: 0.8318487500850612
Energy: 0.8836409544285355
Energy: 0.8654596807197402
Energy: 0.8318487500892054
Energy: 0.8836409544223193
Energy: 0.865459680725919
Energy: 0.8318487500809169
Energy: 0.8836409544243913
Energy: 0.8991217822198025
Energy: 0.8620084923505354
Energy: 0.8915354901170542
Energy: 0.8991190953647964
Energy: 0.8620097179028812
Energy: 0.8915354901149821
Energy: 0.8991217822322354
Energy: 0.8620084923526077
Energy: 0.8915354901149821
Energy: 0.8991190953585801
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Energy: 0.8393469931900484
Energy: 0.8831204843209022
Energy: 0.8204838427582611
Energy: 0.8393469931900484
Energy: 0.8831204843271185
Energy: 0.8204838427603333
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Energy: 0.8611197358254897
Energy: 0.8446210251249425
Energy: 0.8771875152302288
Energy: 0.8611197358192734
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Energy: 0.8611197358130569
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Energy: 0.8771875152343729
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Energy: 0.8502215106743614
Energy: 0.9272744133363284
Energy: 0.8350092102500372
Energy: 0.8502170852118794
Energy: 0.9272744133404728
Energy: 0.8349355221000765
Energy: 0.8502215106805776
Energy: 0.9272744133342563
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Energy: 0.850217085209845
Energy: 0.8644733072979555
Energy: 0.8243164403722313
Energy: 0.9075625690977336
Energy: 0.8644733073020997
Energy: 0.8243164403680869
Energy: 0.9075625690935895
Energy: 0.8644733072979555
Energy: 0.8243164403597986
Energy: 0.9075625690894452
Energy: 0.8644733072896671
Energy: 0.8516720897568967
Energy: 0.8442626768435705
Energy: 1.002849470293949
Energy: 0.8516720897548246
Energy: 0.8442626768435705
Energy: 1.0028494702898045
Energy: 0.851672089761041
Energy: 0.8442626768456425
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Energy: 0.8516720897589688
Energy: 0.9107581437233507
Energy: 0.8266405898081918
Energy: 0.8706302325764269
Energy: 0.8920761165918636
Energy: 0.8265593383947609
Energy: 0.8706302325743549
Energy: 0.9107581437212786
Energy: 0.8266405898040852
Energy: 0.8706302325723204
Energy: 0.8920761165877195
Energy: 0.8481606281095732
Energy: 0.8330513425336294
Energy: 0.8889590046722071
Energy: 0.848160628107501
Energy: 0.8330513425377736
Energy: 0.8889590046763514
Energy: 0.8481606281095732
Energy: 0.8330513425357015
Energy: 0.8889590046784235
Energy: 0.8481606281157895
Energy: 0.8939930911687203
Energy: 0.8854702886706303
Energy: 0.8375768101881447
Energy: 0.8939930911831874
Energy: 0.8854702886664861
Energy: 0.8375719124794462
Energy: 0.8939930911707924
Energy: 0.8854702886602698
Energy: 0.8375768101902168
Energy: 0.8939930911770088
Energy: 0.825268936494985
Energy: 0.8466933259192524
Energy: 0.8306994027811405
Energy: 0.8252689364866964
Energy: 0.8466933259233966
Energy: 0.8306994027562751
Energy: 0.8252689364846243
Energy: 0.8466933259213245
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Energy: 0.8252689364908407
Energy: 0.8622248677511635
Energy: 0.9512192629302479
Energy: 0.8885145084136468
Energy: 0.8449394204503531
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Energy: 0.8885145084095025
Energy: 0.8622248677470191
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Energy: 0.8431332793988455
Energy: 0.8325846623720214
Energy: 0.9295855973337055
Energy: 0.8468956769168444
Energy: 0.8325846623802723
Energy: 0.9444228438399779
Energy: 0.8431332793947013
Energy: 0.8325846623699493
Energy: 0.9295855973482101
Energy: 0.8468956769250954
Energy: 0.8242259911180424
Energy: 0.9130267350560856
Energy: 0.849850808510702
Energy: 0.8242259911138982
Energy: 0.9130267350560856
Energy: 0.8498508085003414
Energy: 0.8242259911180424
Energy: 0.9130267350560856
Energy: 0.8498508085044857
Energy: 0.8242259911159704
Energy: 0.9863503941948546
Energy: 0.8392683239932123
Energy: 0.8261539072188494
Energy: 0.9863503942031431
Energy: 0.8392683239869958
Energy: 0.8261539072250658
Energy: 0.986350394201071
Energy: 0.83926832399114
Energy: 0.8261539072271379
Energy: 0.9863503941989988
Energy: 0.8478707446835161
Energy: 0.9520245714515959
Energy: 0.8304710743208469
Energy: 0.8478707446876603
Energy: 0.9520245714578125
Energy: 0.8301916225147031
Energy: 0.8478707446876603
Energy: 0.9520245714598846
Energy: 0.8304710743104863
Energy: 0.8478707446772997
Energy: 0.9374350568990214
Energy: 0.9008442111908025
Energy: 0.8268364436276658
Energy: 0.9374350568866263
Energy: 0.9008442112011255
Energy: 0.8268364436276658
Energy: 0.9374350568969494
Energy: 0.9008442112031976
Energy: 0.8268364436318101
Energy: 0.9374350568990214
Energy: 0.8336351556130346
Energy: 0.9610811450883479
Energy: 0.844361551084339
Energy: 0.8336351556151067
Energy: 0.9610811450842036
Energy: 0.8443615510946995
Energy: 0.8336351556088902
Energy: 0.9610811450759151
Energy: 0.8443615510905553
Energy: 0.8336351556047461
Energy: 0.8255222372424702
Energy: 0.8846485029123139
Energy: 0.8256977332547439
Energy: 0.825522237238326
Energy: 0.8846485029123139
Energy: 0.8256977332526718
Energy: 0.8255222372341816
Energy: 0.8846485029102417
Energy: 0.8256977332547439
Energy: 0.8255222372507588
Energy: 0.8499186589996611
Energy: 0.9004886768059409
Energy: 0.8492604115164223
Energy: 0.8499186590058775
Energy: 0.9004886768163014
Energy: 0.8492604115184944
Energy: 0.8499186590120938
Energy: 0.9004886768100852
Energy: 0.8492604115184944
Energy: 0.8499186590017332
Energy: 0.9462845097321605
Energy: 0.859038886842698
Energy: 0.8456237699080397
Energy: 0.9462845097300883
Energy: 0.8590388868385538
Energy: 0.8456237699101117
Energy: 0.946284509725944
Energy: 0.85903888684477
Energy: 0.8456237699142559
Energy: 0.9462845097197278
Energy: 0.8250238571194959
Energy: 0.823105586489395
Energy: 0.8870340443584969
Energy: 0.8250238571194959
Energy: 0.8231055864997555
Energy: 0.8870340443564247
Energy: 0.8250238571215679
Energy: 0.8231055865018279
Energy: 0.887034044360569
Energy: 0.8250238571194959
Energy: 0.871438498443069
Energy: 0.8404986924615037
Energy: 0.8626189489609757
Energy: 0.8714384984534296
Energy: 0.8404986924532152
Energy: 0.8626189489692642
Energy: 0.8714384984513576
Energy: 0.8404986924532152
Energy: 0.8626189489692642
Energy: 0.8714384984575738
Energy: 0.8889956515318218
Energy: 0.8283342960622987
Energy: 0.8408293069160544
Energy: 0.8889956515297873
Energy: 0.8283249250443028
Energy: 0.8408293069160544
Energy: 0.8889956515297873
Energy: 0.8283342960664428
Energy: 0.8408293069181265
Energy: 0.8889956515318218
Energy: 0.8476600376071961
Energy: 0.849028832283902
Energy: 0.9460788126298249
Energy: 0.8476600376154847
Energy: 0.8490288322756135
Energy: 0.9460788126360411
Energy: 0.8476600376134126
Energy: 0.8490288322735414
Energy: 0.9460788126360411
Energy: 0.8476600376071961
Energy: 0.8940356670750284
Energy: 0.8632455997094673
Energy: 0.8352100824110211
Energy: 0.8940356670833168
Energy: 0.8632455997094673
Energy: 0.8352144525372138
Energy: 0.8940356670833168
Energy: 0.8632455997136115
Energy: 0.8352100824089489
Energy: 0.8940356670791726
Energy: 0.8256130677482871
Energy: 0.8656263786079299
Energy: 0.8266850431686538
Energy: 0.8256130677420709
Energy: 0.8656263786079299
Energy: 0.8266850431686538
Energy: 0.8256130677399988
Energy: 0.8656263786141463
Energy: 0.826685043172798
Energy: 0.8256130677441431
Energy: 0.8443499960699369
Energy: 0.9526367087114248
Energy: 0.8336874341818279
Energy: 0.8443499960657926
Energy: 0.9526367087031363
Energy: 0.8336874341735394
Energy: 0.8443499960595763
Energy: 0.9526367087072806
Energy: 0.833687434167323
Energy: 0.8443499960637205

minimum gb energy = 0.8204838427582611 eV
minimum distance =  2.28348962049905 Angstroms
sigma value = 437


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

Energy: 0.7656527158791044
Energy: 0.7664406638761472
Energy: 0.7661331333231856
Energy: 0.7656527158791044
Energy: 0.7664406638799217
Energy: 0.7661331333224306
Energy: 0.7656527158791044
Energy: 0.7664406638746717
Energy: 0.7661331333239405
Energy: 0.7656527158783496
Energy: 0.7889631086954652
Energy: 0.7596373016542223
Energy: 0.7681024247220859
Energy: 0.7889631086871611
Energy: 0.7596373016512026
Energy: 0.7681024247228407
Energy: 0.7889631086954652
Energy: 0.7596373016542223
Energy: 0.7681024247220859
Energy: 0.788963108688671
Energy: 0.7594152808818545
Energy: 0.7528508409036635
Energy: 0.7749224098113519
Energy: 0.7594152808788349
Energy: 0.7528508409021537
Energy: 0.774922409810597
Energy: 0.7594152808818545
Energy: 0.7528508409044186
Energy: 0.7749224098113519
Energy: 0.7594152808788349
Energy: 0.8619829497006094
Energy: 0.8697082465466459
Energy: 0.7929589537382411
Energy: 0.8619829496998546
Energy: 0.869708246545891
Energy: 0.7929589537405057
Energy: 0.8619829497006094
Energy: 0.869708246545891
Energy: 0.7929589537382411
Energy: 0.8619829496990996
Energy: 0.8516533457271999
Energy: 0.7641019824324299
Energy: 0.8628626237470802
Energy: 0.8516533457271999
Energy: 0.7641019824331504
Energy: 0.8628626237500999
Energy: 0.8516533457271999
Energy: 0.7641019824316749
Energy: 0.8628626237463254
Energy: 0.851653345726445
Energy: 0.792363265687416
Energy: 0.8868180332193634
Energy: 0.7597049248676163
Energy: 0.792363265688171
Energy: 0.8868180332201182
Energy: 0.7597049248706359
Energy: 0.792363265687416
Energy: 0.8868180332186084
Energy: 0.7597049248676163
Energy: 0.792363265687416
Energy: 0.7891678711723061
Energy: 0.778042021005959
Energy: 0.7534547648829031
Energy: 0.7891678711730611
Energy: 0.7780420210082237
Energy: 0.7534547648889424
Energy: 0.7891678711723061
Energy: 0.778042021005959
Energy: 0.7534547648829031
Energy: 0.7891678711745709
Energy: 0.7815865606919767
Energy: 0.9159027403125976
Energy: 0.7601866390585642
Energy: 0.781586560688957
Energy: 0.9159027403125976
Energy: 0.7601866390570544
Energy: 0.7815865606912218
Energy: 0.9159027403125976
Energy: 0.7601866390578094
Energy: 0.781586560688957
Energy: 0.8565799104025738
Energy: 0.7639629957539884
Energy: 0.7642420414107151
Energy: 0.8565799104048384
Energy: 0.7639629957547434
Energy: 0.7642420414092054
Energy: 0.8565799104025738
Energy: 0.7639629957532335
Energy: 0.7642420414099603
Energy: 0.8565799104055933
Energy: 0.8665652569486608
Energy: 0.7828512937746235
Energy: 0.9889560526333218
Energy: 0.8665652569524354
Energy: 0.7828512937776431
Energy: 0.9889560526340766
Energy: 0.8665652569486608
Energy: 0.7828512937761334
Energy: 0.9889560526333218
Energy: 0.8665652569524354
Energy: 0.8515202039401746
Energy: 0.756466533420671
Energy: 0.7875751190622583
Energy: 0.8515202039401746
Energy: 0.756466533420671
Energy: 0.7875751190667877
Energy: 0.8515202039416845
Energy: 0.756466533420671
Energy: 0.7875751190615033
Energy: 0.8515202039401746
Energy: 0.7835310561214754
Energy: 0.7601838697370303
Energy: 0.8515181270820943
Energy: 0.7835310561177008
Energy: 0.7601838697340108
Energy: 0.8515181270836041
Energy: 0.7835310561214754
Energy: 0.7601838697370303
Energy: 0.8515181270813393
Energy: 0.7835310561184559
Energy: 0.7638556749974419
Energy: 0.8580263863921741
Energy: 0.7638353196315102
Energy: 0.7638556750027261
Energy: 0.8580263863906643
Energy: 0.7638353196307553
Energy: 0.7638556749974419
Energy: 0.8580263863921741
Energy: 0.7638353196315102
Energy: 0.7638556750027261
Energy: 0.7734302338133803
Energy: 0.7592810121316447
Energy: 0.7608670197092923
Energy: 0.7734302338096058
Energy: 0.7592810121323995
Energy: 0.7608670197092923
Energy: 0.7734302338133803
Energy: 0.7592810121316447
Energy: 0.760867019712312
Energy: 0.773430233808851

minimum gb energy = 0.7528508409021537 eV
minimum distance =  2.30127221248134 Angstroms
sigma value = 33