Model name: model_name=EAM_Dynamo_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.089974194765093
cohesive_energy=2.8502318916670517
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.00674810039538e-20, 1.419446786715666e-19, 1.8592779184579797e-19, 2.23412316374862e-19, 2.55088950605676e-19, 2.8220739231276e-19, 3.05656849527984e-19, 3.2607338637504597e-19, 3.4398892549643398e-19, 3.59951411300976e-19, 3.7442387283589796e-19, 3.87657851832738e-19, 3.9969660706061396e-19, 4.1049047104387196e-19, 4.200106046031e-19, 4.2827943821117394e-19, 4.35353048050284e-19, 4.41298725539058e-19, 4.46183762096124e-19, 4.50065836080306e-19, 4.53002625850428e-19, 4.5504219670551e-19, 4.562342161212059e-19, 4.5662194286663395e-19, 4.56206979118428e-19, 4.54867559452404e-19, 4.52440261851894e-19, 4.48703985941406e-19, 4.43221337499858e-19, 4.35345037167114e-19, 4.24331674984998e-19, 4.0934972128046395e-19, 3.8946510707588997e-19, 3.6363481538254193e-19, 3.3074373126315597e-19, 2.8953414606004195e-19, 2.38498411560606e-19, 1.7577960504604198e-19, 9.89956102969188e-20, 5.031219153152159e-21, -1.099182892815504e-19, -2.50149440043054e-19, -4.2054733377548993e-19, -6.271608281428619e-19, -8.784157700633759e-19, -1.1865591977273279e-18, -1.568756831591394e-18, -2.05067393915562e-18, -2.67384054094992e-18, -3.50362384146486e-18]
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: -5.85410000009112e-06 eV

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

Energy: 0.00858730177917683
Energy: 0.0671044158335248
Energy: 0.4403804993399079
Energy: 0.06710441583592035
Energy: 0.06710441583304841
Energy: 0.5268444762146538
Energy: 0.06710441583496758
Energy: 0.5268444762117683
Energy: 0.44038049986095096
Energy: 0.0671044158335248
Energy: 0.00858730177917683
Energy: 0.0671044158335248
Energy: 0.06710441583449119
Energy: 0.526844476205548
Energy: 0.0671044158335248
Energy: 0.5268444761930939

minimum gb energy = 0.00858730177917683 eV
minimum distance =  2.81173819612936 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.8740166780003186
Energy: 0.6109085223022912
Energy: 0.6116342804518446
Energy: 0.6109085223022912
Energy: 0.5787117163981731
Energy: 0.6214014259568609
Energy: 0.5790309778049735
Energy: 0.6214014259568609
Energy: 0.6113875303620064
Energy: 0.6108733669550978
Energy: 0.9474330456764779
Energy: 0.610873366955692
Energy: 0.5803565261497661
Energy: 0.5780478772619939
Energy: 0.578999007078077
Energy: 0.5780478772625882
Energy: 0.8132615064419672
Energy: 0.5782444844362065
Energy: 0.5800732448422441
Energy: 0.5782444844362065
Energy: 0.6127131932690143
Energy: 0.656470262368672
Energy: 0.5788253538557219
Energy: 0.6564702623680777
Energy: 0.6143363420518291
Energy: 0.6291700095498479
Energy: 0.6128790187027013
Energy: 0.6291700095492536
Energy: 0.6158673730734087
Energy: 0.6362516146959278
Energy: 0.6413234833998892
Energy: 0.6362516146953336
Energy: 0.6302140500447265
Energy: 0.6589425018075324
Energy: 0.6307636307545195
Energy: 0.6589425018081269
Energy: 0.6395121831304901
Energy: 0.6530757487368938
Energy: 0.6313032645890795
Energy: 0.6530757487374881
Energy: 0.629370842926691
Energy: 0.6589179975653673
Energy: 0.6306004740747014
Energy: 0.6589179975659616
Energy: 0.6139660921986999
Energy: 0.657672289008535
Energy: 0.6439416378417465
Energy: 0.657672289008535
Energy: 0.6223082102466733
Energy: 0.6288020915793456
Energy: 0.5890931847903971
Energy: 0.6288020915799399
Energy: 0.6132653504156044
Energy: 0.6292036204213765
Energy: 0.6156514262123414
Energy: 0.6292036204207822
Energy: 0.58947482561638
Energy: 0.578049593574715
Energy: 0.5781942746651374
Energy: 0.5780495935741207
Energy: 0.5984648230162006
Energy: 0.5789792449944062
Energy: 0.5785750500531459
Energy: 0.5789792449926233
Energy: 0.6111763637615623
Energy: 0.6109151409938369
Energy: 0.5658101812118799
Energy: 0.6109151409950254
Energy: 0.5794783725635627
Energy: 0.5787305663107383
Energy: 0.5891572036371292
Energy: 0.5787305663101441
Energy: 0.5785282883724547
Energy: 0.6108076062377731
Energy: 0.6127043591412116
Energy: 0.6108076062383673
Energy: 0.6127560140855385
Energy: 0.5788593216541127
Energy: 0.5803310266038166
Energy: 0.5788593216535185
Energy: 0.5794301868319842
Energy: 0.5802096519739541
Energy: 0.6124472816553271
Energy: 0.5802096519727656
Energy: 0.5788915209631506
Energy: 0.5783200237355223
Energy: 0.6132756743749923
Energy: 0.5783200237361166
Energy: 0.6128502821180943
Energy: 0.6291116776549319
Energy: 0.6126477622117241
Energy: 0.6291116776555261
Energy: 0.6418704491767618
Energy: 0.630971781866139
Energy: 0.6138908967719522
Energy: 0.6309717818655446
Energy: 0.6314562556985475
Energy: 0.6589733304880726
Energy: 0.6303369239839426
Energy: 0.6589733304874784
Energy: 0.6322391506825004
Energy: 0.6570612978022603
Energy: 0.6404944623220091
Energy: 0.6570612978028547
Energy: 0.7034510862199095
Energy: 0.6583150414381675
Energy: 0.6297473867016846
Energy: 0.6583150414375734
Energy: 0.6421612562302504
Energy: 0.6572075511970479
Energy: 0.6352205218799206
Energy: 0.6572075511964538
Energy: 0.5894769960323785
Energy: 0.6286908118129378
Energy: 0.6226012382682752
Energy: 0.6286908118123438
Energy: 0.6155447762875154
Energy: 0.6289549485555972
Energy: 0.6141845461192985
Energy: 0.6289549485561915
Energy: 0.5777912244883778
Energy: 0.578025472504518
Energy: 0.589684885867276
Energy: 0.5780254725039238
Energy: 0.5784874579377074
Energy: 0.5787318010590579
Energy: 0.56610838791948
Energy: 0.5787318010584637
Energy: 0.5661386470162607
Energy: 0.5800560517721471
Energy: 0.6117426225630916
Energy: 0.5800560517721471

minimum gb energy = 0.5658101812118799 eV
minimum distance =  2.62280129426204 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.9944858094048836
Energy: 0.6437106674912384
Energy: 0.6427701078927626
Energy: 0.6437106674912384
Energy: 0.6088145515778137
Energy: 0.6525917158756369
Energy: 0.6082403082401197
Energy: 0.6525917158742818
Energy: 0.6434785187860399
Energy: 0.6437544621632132
Energy: 0.9151557918621636
Energy: 0.6437544621638907
Energy: 0.6112457030210076
Energy: 0.6087079351596499
Energy: 0.6083828584552198
Energy: 0.6087079351582947
Energy: 0.6087345861142202
Energy: 0.6089717534450189
Energy: 0.6090619585430153
Energy: 0.6089717534470516
Energy: 0.6132457413453725
Energy: 0.6785610399676445
Energy: 0.6088118222818865
Energy: 0.6785610399669668
Energy: 0.6517268885730414
Energy: 0.6687644587934648
Energy: 0.6496196158624211
Energy: 0.6687644587934648
Energy: 0.6513956019872874
Energy: 0.6710346634211377
Energy: 0.6783638794261799
Energy: 0.6710346634197826
Energy: 0.6498948439097348
Energy: 0.6993822236414637
Energy: 0.6643758393632567
Energy: 0.6993822236401087
Energy: 0.6788576128166041
Energy: 0.7007761917354651
Energy: 0.651090069889735
Energy: 0.7007761917327548
Energy: 0.6242037943804067
Energy: 0.6683276519727944
Energy: 0.6665041717346284
Energy: 0.6683276519714394
Energy: 0.6518876819374803
Energy: 0.6688262349645955
Energy: 0.6585831007679207
Energy: 0.6688262349652729
Energy: 0.609182925035667
Energy: 0.608797631328861
Energy: 0.6240985620825846
Energy: 0.6087976313295386
Energy: 0.6082666846883834
Energy: 0.6087555049261127
Energy: 0.5928485552968249
Energy: 0.6087555049281455
Energy: 0.592415965493476
Energy: 0.6437738811655409
Energy: 0.6432318666822215
Energy: 0.6437738811662185
Energy: 0.6249251239302008
Energy: 0.6090855445543626
Energy: 0.6083658772082123
Energy: 0.6090855445570729
Energy: 0.6437239653562423
Energy: 0.6440232751555602
Energy: 0.608896508617768
Energy: 0.6440232751555602
Energy: 0.61115086445417
Energy: 0.6087623575200349
Energy: 0.6111150032710766
Energy: 0.6087623575207125
Energy: 0.60906905498576
Energy: 0.6115193587676138
Energy: 0.6110360353632183
Energy: 0.6115193587689689
Energy: 0.61247013143689
Energy: 0.6093253314746624
Energy: 0.6093098118886277
Energy: 0.60932533147534
Energy: 0.6500085331361963
Energy: 0.6695484460422757
Energy: 0.6494715590512655
Energy: 0.6695484460409207
Energy: 0.649711106994279
Energy: 0.6697080631039485
Energy: 0.6376190377057339
Energy: 0.6697080631039485
Energy: 0.6500137488654789
Energy: 0.698970029034176
Energy: 0.6647451261137985
Energy: 0.6989700290334985
Energy: 0.6787295401010234
Energy: 0.6985323572825854
Energy: 0.6722305418006019
Energy: 0.6985323572805527
Energy: 0.6239946904321938
Energy: 0.6679037947614491
Energy: 0.6673221284756371
Energy: 0.6679037947628044
Energy: 0.6522991162856303
Energy: 0.6685914899582944
Energy: 0.657869394179279
Energy: 0.6685914899569393
Energy: 0.6086306785155838
Energy: 0.608762621629608
Energy: 0.6242900804988772
Energy: 0.608762621629608
Energy: 0.6088842301271152
Energy: 0.608975320156199
Energy: 0.5927026077944672
Energy: 0.6089753201548439
Energy: 0.5931093459724887
Energy: 0.6109038749274165
Energy: 0.642957991269171
Energy: 0.6109038749260615

minimum gb energy = 0.592415965493476 eV
minimum distance =  2.6267585393885 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.019724911667667
Energy: 0.6864186556073482
Energy: 0.6875182295975629
Energy: 0.6864186556089233
Energy: 0.6517353390471532
Energy: 0.6935476012452076
Energy: 0.6695295596411156
Energy: 0.6935476012444199
Energy: 0.6870400726970757
Energy: 0.6865507819807188
Energy: 0.9110948239261049
Energy: 0.6865507819807188
Energy: 0.6549936963104559
Energy: 0.6948151445494934
Energy: 0.6525840864876721
Energy: 0.6948151445510687
Energy: 0.6342550552697821
Energy: 0.6522505995820206
Energy: 0.6548387813855018
Energy: 0.6522505995820206
Energy: 0.6546506610715025
Energy: 0.6549743071633364
Energy: 0.6522377309764026
Energy: 0.6549743071633364
Energy: 0.6875918653468087
Energy: 0.724916005102701
Energy: 0.753918769003297
Energy: 0.7249160051042762
Energy: 0.687590460135081
Energy: 0.7265550293916144
Energy: 0.6699892352911392
Energy: 0.7265550293916144
Energy: 0.6883799577479023
Energy: 0.7328133715630822
Energy: 0.6576661385444812
Energy: 0.7328133715630822
Energy: 0.6546588074690121
Energy: 0.7337440565819294
Energy: 0.6714751656737385
Energy: 0.7337440565811417
Energy: 0.6519235309472743
Energy: 0.6845373620902622
Energy: 0.6839140947306528
Energy: 0.6845373620902622
Energy: 0.6371070165934105
Energy: 0.6662223242525545
Energy: 0.6672785819745632
Energy: 0.6662223242541297
Energy: 0.6276676176513033
Energy: 0.6277924503586199
Energy: 0.6199087455141401
Energy: 0.6277924503586199
Energy: 0.62766345282049
Energy: 0.6199748908442231
Energy: 0.668003996315776
Energy: 0.6199748908442231
Energy: 0.6346223624201713
Energy: 0.7175953175282702
Energy: 0.7188418163978695
Energy: 0.7175953175274826
Energy: 0.6611684240809623
Energy: 0.6663233122594342
Energy: 0.6701955037095361
Energy: 0.6663233122594342
Energy: 0.657318188937355
Energy: 0.6687988625810569
Energy: 0.6339666686613261
Energy: 0.6687988625810569
Energy: 0.6570112051219895
Energy: 0.6686119798999797
Energy: 0.6964069577236387
Energy: 0.6686119798999797
Energy: 0.7539090936803553
Energy: 0.7188811718565353
Energy: 0.6970950932605469
Energy: 0.7188811718549601
Energy: 0.6563495589984331
Energy: 0.7193974642702256
Energy: 0.6960657171697469
Energy: 0.7193974642718008
Energy: 0.6571185233987106
Energy: 0.725195695871548
Energy: 0.7341710304249008
Energy: 0.725195695871548
Energy: 0.6574973681323422
Energy: 0.7253410557074003
Energy: 0.7112328141095046
Energy: 0.7253410557089577
Energy: 0.6506822091857065
Energy: 0.6510304702430809
Energy: 0.6513754769354624
Energy: 0.6510304702438685
Energy: 0.6509526612971798
Energy: 0.6512660802825635
Energy: 0.6375228465493944
Energy: 0.6512660802857141
Energy: 0.636562489109674
Energy: 0.6709935210866407
Energy: 0.687390145207356
Energy: 0.6709935210882159

minimum gb energy = 0.6199087455141401 eV
minimum distance =  2.61236354315339 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.8904571782890559
Energy: 0.7167846301129146
Energy: 0.7174147795929334
Energy: 0.7167846301119751
Energy: 0.6862262276631786
Energy: 0.7196298236561071
Energy: 0.6870997290208989
Energy: 0.7196298236561071
Energy: 0.7170445588422101
Energy: 0.717135919939621
Energy: 0.6853976021059981
Energy: 0.7171359199405606
Energy: 0.6869133200926749
Energy: 0.7204816408437402
Energy: 0.6870492734799828
Energy: 0.7204816408418611
Energy: 0.6846857502993935
Energy: 0.6861532492075139
Energy: 0.687590814275592
Energy: 0.6861532492065745
Energy: 0.6881052321884401
Energy: 0.6895204354006597
Energy: 0.6870632869671697
Energy: 0.6895204354006597
Energy: 0.7221981856232762
Energy: 0.7684617448605278
Energy: 0.6880692694409899
Energy: 0.7684617448614673
Energy: 0.6879098835098523
Energy: 0.7705199763762379
Energy: 0.6862034450079076
Energy: 0.7705199763809361
Energy: 0.6852434196559627
Energy: 0.6861457888966338
Energy: 0.6462913884992867
Energy: 0.6861457888966338
Energy: 0.6862487041847554
Energy: 0.6861189133251422
Energy: 0.6461124809320811
Energy: 0.6861189133260819
Energy: 0.6463352343060527
Energy: 0.7167102676395165
Energy: 0.7163952918690115
Energy: 0.7167102676404561
Energy: 0.7235104088634661
Energy: 0.6886359348731921
Energy: 0.6863010491216069
Energy: 0.6886359348741317
Energy: 0.7171982804371407
Energy: 0.717568653794987
Energy: 0.6850576418683353
Energy: 0.717568653794987
Energy: 0.6864089422702876
Energy: 0.6859707432471354
Energy: 0.7157591758657408
Energy: 0.6859707432480749
Energy: 0.6847733846783302
Energy: 0.6885867289951203
Energy: 0.6909201836210578
Energy: 0.6885867289951203
Energy: 0.6885746995516817
Energy: 0.6867593856594261
Energy: 0.6897811237703637
Energy: 0.6867593856575468
Energy: 0.7229048515875559
Energy: 0.769427593886017
Energy: 0.687772511412995
Energy: 0.7694275938869567
Energy: 0.7226859905809513
Energy: 0.7690356207274048
Energy: 0.6865062982668546
Energy: 0.7690356207255257
Energy: 0.6844869257232263
Energy: 0.6860002108085745
Energy: 0.6460581906817928
Energy: 0.6860002108095142
Energy: 0.6865961841427002
Energy: 0.6867063135790591
Energy: 0.6460139890179573
Energy: 0.6867063135790591
Energy: 0.6455874952750875
Energy: 0.687113388219306
Energy: 0.717769624360248
Energy: 0.6871133882202244

minimum gb energy = 0.6455874952750875 eV
minimum distance =  2.64212175937218 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.7948248510447931
Energy: 0.757949377465255
Energy: 0.758613483064403
Energy: 0.757949377465255
Energy: 0.7580961310664731
Energy: 0.727291288206155
Energy: 0.6933787646666765
Energy: 0.727291288206155
Energy: 0.7577195716559106
Energy: 0.7581759257602624
Energy: 0.6743667390271668
Energy: 0.7581759257602624
Energy: 0.6764647079515318
Energy: 0.7272880804454257
Energy: 0.6936983145567215
Energy: 0.7272880804454257
Energy: 0.7324007810767792
Energy: 0.7737845278173269
Energy: 0.6938024833650479
Energy: 0.7737845278173269
Energy: 0.6757817440825813
Energy: 0.6939213928368982
Energy: 0.6918317977522856
Energy: 0.6939213928368982
Energy: 0.6729279969328208
Energy: 0.6928967914390141
Energy: 0.6940324644363528
Energy: 0.6928967915330837
Energy: 0.672921832979836
Energy: 0.7280742493514669
Energy: 0.6954021546826629
Energy: 0.7280742493514669
Energy: 0.7569995565561279
Energy: 0.7575915651651799
Energy: 0.8333401633650682
Energy: 0.7575915651640178
Energy: 0.6944729328762094
Energy: 0.7740150084922347
Energy: 0.6725585322241806
Energy: 0.7740150084922347
Energy: 0.6736148006835744
Energy: 0.7584649330819908
Energy: 0.7597395002218469
Energy: 0.7584649330819908
Energy: 0.7562457693635243
Energy: 0.7288131284890149
Energy: 0.7585291588416789
Energy: 0.7288131284890149
Energy: 0.6925620496684016
Energy: 0.7762072373928085
Energy: 0.7322800336354415
Energy: 0.7762072373916467
Energy: 0.6948130517572978
Energy: 0.6940213993563878
Energy: 0.677332923750221
Energy: 0.6940213993447942
Energy: 0.7347659419966253
Energy: 0.7390921631136013
Energy: 0.6728574964697007
Energy: 0.7390921631136013
Energy: 0.6926335857258533
Energy: 0.7718525168473747
Energy: 0.6729613373752834
Energy: 0.7718525168473747
Energy: 0.8329554067494135
Energy: 0.6770754448096449
Energy: 0.7590194169902139
Energy: 0.6770754448084829

minimum gb energy = 0.6725585322241806 eV
minimum distance =  2.69661440175639 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.1067497732990386
Energy: 0.8308406275881874
Energy: 0.8294829505393999
Energy: 0.8308406275888456
Energy: 0.7241723714247768
Energy: 0.746044287436484
Energy: 0.7404518244087063
Energy: 0.746044287436484
Energy: 0.7367739739607637
Energy: 0.7357332858327158
Energy: 0.785199823779844
Energy: 0.7357332858320577
Energy: 0.7360055790704423
Energy: 0.7850240600439821
Energy: 0.7408903940821063
Energy: 0.7850240600426658
Energy: 0.735708114575332
Energy: 0.791649521988557
Energy: 0.6896291524740994
Energy: 0.7916495219892151
Energy: 0.7425747493929759
Energy: 0.7688842254211578
Energy: 0.7362505727261144
Energy: 0.7688842254211578
Energy: 0.7775477589236075
Energy: 0.7349180819657658
Energy: 0.7349119912939739
Energy: 0.7349180819664237
Energy: 0.7931220195336702
Energy: 0.7415558664015025
Energy: 0.7049579974486323
Energy: 0.7415558664021606
Energy: 0.8332392719544933
Energy: 0.8305459688068759
Energy: 0.7841700187305621
Energy: 0.8305459688075341
Energy: 0.8338505627576932
Energy: 0.7853560867336004
Energy: 0.7408984082772633
Energy: 0.7853560867336004
Energy: 0.734013288628598
Energy: 0.7057885927133687
Energy: 0.7021276858649695
Energy: 0.7057885927133687
Energy: 0.7864255985074985
Energy: 0.7042686166156391
Energy: 0.7056667639449474
Energy: 0.7042686166156391
Energy: 0.7806927513526757
Energy: 0.7253364452026373
Energy: 0.7242738490983015
Energy: 0.725336445182266
Energy: 0.7783899869088229
Energy: 0.7444029345303974
Energy: 0.7024951777594843
Energy: 0.7444029345303974
Energy: 0.8322668365413346
Energy: 0.7939939186166854
Energy: 0.792412956911915
Energy: 0.7939939186173436
Energy: 0.8318738398823238
Energy: 0.7883437717530333
Energy: 0.7918190177317168
Energy: 0.7883437717530333
Energy: 0.7861870308983723
Energy: 0.7351968304324416
Energy: 0.7358085408221218
Energy: 0.7351968304330997
Energy: 0.787371383342681
Energy: 0.7413760723250696
Energy: 0.7344019391072891
Energy: 0.7413760723250696
Energy: 0.7420914848522238
Energy: 0.7908151018588432
Energy: 0.7351049200700586
Energy: 0.790815101858185
Energy: 0.757946460052622
Energy: 0.768415938660663
Energy: 0.735868154329108
Energy: 0.768415938660663
Energy: 0.7351080696995259
Energy: 0.7424931882264569
Energy: 0.7917832025499757
Energy: 0.7424931882264569
Energy: 0.7359144691733557
Energy: 0.7356152128050184
Energy: 0.7766567830324324
Energy: 0.7356152128050184
Energy: 0.7400654588351225
Energy: 0.7853874501356951
Energy: 0.7911729083747044
Energy: 0.7853874501363532
Energy: 0.7842611473891414
Energy: 0.8303237126483872
Energy: 0.8305241399686847
Energy: 0.8303237126483872
Energy: 0.706849568668505
Energy: 0.7427516682307201
Energy: 0.7866323846168325
Energy: 0.7427516682313783
Energy: 0.7047156691032278
Energy: 0.7235916621304233
Energy: 0.7335870468193674
Energy: 0.7235916621304233
Energy: 0.7017774946116283
Energy: 0.7039093707977344
Energy: 0.7933545103953071
Energy: 0.7039093707983924
Energy: 0.7081049399727375
Energy: 0.7038402989640151
Energy: 0.7780625868387656
Energy: 0.7038402989620407
Energy: 0.7040055584824768
Energy: 0.7438163099687013
Energy: 0.778588154497212
Energy: 0.7438163099673851
Energy: 0.7907033208651661
Energy: 0.8305401954441718
Energy: 0.828701314202844
Energy: 0.8305401954441718

minimum gb energy = 0.6896291524740994 eV
minimum distance =  2.64481352308802 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.0085816350380812
Energy: 0.776270728776812
Energy: 0.7773976561202025
Energy: 0.776270728776812
Energy: 0.7790693303518031
Energy: 0.7028031555143903
Energy: 0.773701966935242
Energy: 0.7028031555150103
Energy: 0.7759248761291551
Energy: 0.7759391879267233
Energy: 0.7885680730960671
Energy: 0.7759391879274808
Energy: 0.7775303789778811
Energy: 0.7035103249494321
Energy: 0.7976099374360641
Energy: 0.7035103249501897
Energy: 0.7950495427815284
Energy: 0.7029569807104643
Energy: 0.6578540625411268
Energy: 0.7029569807097067
Energy: 0.798075819971772
Energy: 0.7057427349327616
Energy: 0.6667981133615583
Energy: 0.7057427349357918
Energy: 0.8845439169353552
Energy: 0.77478952883345
Energy: 0.7731847342840583
Energy: 0.7747895288331573
Energy: 0.8802211775113452
Energy: 0.7056366555653811
Energy: 0.7757925860107001
Energy: 0.7056366555659838
Energy: 0.7759696135420308
Energy: 0.7757535034201795
Energy: 0.7887280775703779
Energy: 0.7757535034197319
Energy: 0.7779390707204629
Energy: 0.7048776198307886
Energy: 0.7767450910869031
Energy: 0.7048776198309435
Energy: 0.7951973078034484
Energy: 0.7071692539951383
Energy: 0.668741816124598
Energy: 0.7071692539960508
Energy: 0.7772288735722628
Energy: 0.7029645670988927
Energy: 0.6572655320489621
Energy: 0.7029645671001149
Energy: 0.8808081202961296
Energy: 0.7060145317436729
Energy: 0.7762016372678593
Energy: 0.7060145317448782

minimum gb energy = 0.6572655320489621 eV
minimum distance =  2.68903483298626 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.9809244223388647
Energy: 0.8677215414622101
Energy: 0.8674112937228527
Energy: 0.8677215414616494
Energy: 0.7194414954500529
Energy: 0.7182777816830104
Energy: 0.8721249141629929
Energy: 0.7182777816835711
Energy: 0.7226194006071901
Energy: 0.7211991392667688
Energy: 0.864704159536576
Energy: 0.721199139266208
Energy: 0.7212026564110866
Energy: 0.7209696259801196
Energy: 0.9294581455089537
Energy: 0.7209696259795588
Energy: 0.7187940766683318
Energy: 0.7184377436828628
Energy: 0.9233762374530912
Energy: 0.7184377436828628
Energy: 0.7182361150297902
Energy: 0.718445749230838
Energy: 0.9235756956131246
Energy: 0.7184457492297165
Energy: 0.8685307072778384
Energy: 0.8629212882816748
Energy: 0.8705799945326946
Energy: 0.8629212882816748
Energy: 0.8683014388496182
Energy: 0.7976584581942793
Energy: 0.8634263798298893
Energy: 0.7976584581937186
Energy: 0.7605049513410943
Energy: 0.8087231886465217
Energy: 0.7686752517103302
Energy: 0.8087231886459608
Energy: 0.7198397957115076
Energy: 0.7738486763899672
Energy: 0.866845275797799
Energy: 0.7738486763910887
Energy: 0.7596693075946908
Energy: 0.7597097772668833
Energy: 0.819048743187307
Energy: 0.7597097772663226
Energy: 0.7697439268343028
Energy: 0.7651910556645104
Energy: 0.9255534616250395
Energy: 0.7651910556645104
Energy: 0.8688589124750987
Energy: 0.7596083958750685
Energy: 0.7705261872710631
Energy: 0.7596083958761899
Energy: 0.8700186698750904
Energy: 0.7603868992543624
Energy: 0.7625910046437848
Energy: 0.7603868992543624
Energy: 0.8629831050264299
Energy: 0.7523213584079915
Energy: 0.7649747919444373
Energy: 0.7523213584079915
Energy: 0.8039532532350067
Energy: 0.8132888969320854
Energy: 0.765663442028084
Energy: 0.8132888969320854
Energy: 0.8667604163386365
Energy: 0.7199704923407518
Energy: 0.7618514346175346
Energy: 0.7199704923413126
Energy: 0.8660742140859853
Energy: 0.8660102516129295
Energy: 0.9261402051280275
Energy: 0.8660102516129295
Energy: 0.8717731056967074
Energy: 0.7185921144783571
Energy: 0.7643889551563855
Energy: 0.7185921144789179
Energy: 0.9111626829229906
Energy: 0.7219407402541704
Energy: 0.7224457990123536
Energy: 0.721940740253049
Energy: 0.8735074804960563
Energy: 0.7199013600693678
Energy: 0.7202172640987917
Energy: 0.7199013600699286
Energy: 0.931241218636871
Energy: 0.7182317369798502
Energy: 0.71791503053621
Energy: 0.7182317369809718
Energy: 0.923407282219077
Energy: 0.7186104703146368
Energy: 0.7181456068669629
Energy: 0.7186104703146368
Energy: 0.8719153000644304
Energy: 0.8634423798733215
Energy: 0.8683120399449472
Energy: 0.8634423798733215
Energy: 0.8640362205814315
Energy: 0.8850307353749862
Energy: 0.8680422360491933
Energy: 0.8850307353749862
Energy: 0.766986659993862
Energy: 0.8059180580284065
Energy: 0.7595315201182187
Energy: 0.8059180580278459
Energy: 0.8683196576872627
Energy: 0.7751964993612903
Energy: 0.7196301122090564
Energy: 0.7751964993612903
Energy: 0.818889224917775
Energy: 0.7607775640044117
Energy: 0.7597307062320198
Energy: 0.7607775640032901
Energy: 0.9259356374422272
Energy: 0.7663141824705049
Energy: 0.7684599458966147
Energy: 0.7663141824705049
Energy: 0.7711420975179185
Energy: 0.75451937699711
Energy: 0.8743016557673269
Energy: 0.7545193769976708
Energy: 0.764501953866185
Energy: 0.7613393387849716
Energy: 0.8635003032793311
Energy: 0.7613393387849716
Energy: 0.7641228723659037
Energy: 0.7510640409270235
Energy: 0.8691210171695802
Energy: 0.7510640409275842
Energy: 0.7670357813926988
Energy: 0.8125757119674774
Energy: 0.8040609222961133
Energy: 0.8125757119669166
Energy: 0.7606898173833206
Energy: 0.7197606259408093
Energy: 0.8042310850395005
Energy: 0.7197606259419307
Energy: 0.9254694673958478
Energy: 0.8648736412018885
Energy: 0.8695528973867316
Energy: 0.8648736412018885

minimum gb energy = 0.71791503053621 eV
minimum distance =  2.64005552218905 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.0358348946479998
Energy: 0.8333789442307146
Energy: 0.8333521479256037
Energy: 0.8333789442316043
Energy: 0.737321607442512
Energy: 0.7339753531904686
Energy: 0.8260479784463716
Energy: 0.7339753531913582
Energy: 0.7343262393811237
Energy: 0.7347894798304669
Energy: 0.8518674945115021
Energy: 0.7347894798313567
Energy: 0.7326407449422033
Energy: 0.7343187942372786
Energy: 0.9118956527129808
Energy: 0.7343187942381684
Energy: 0.7345386355051896
Energy: 0.7354733931283126
Energy: 0.8701172240030887
Energy: 0.7354733931274229
Energy: 0.7341348059217898
Energy: 0.7361356051147085
Energy: 0.8701125236066962
Energy: 0.7361356051129292
Energy: 0.8216643182465994
Energy: 0.8513352220706364
Energy: 0.8613310185095774
Energy: 0.8513352220706364
Energy: 0.7661663716812303
Energy: 0.8128334779606949
Energy: 0.8511378771210961
Energy: 0.8128334779615847
Energy: 0.7722298221106159
Energy: 0.8182452208129048
Energy: 0.8527659044701466
Energy: 0.8182452208129048
Energy: 0.7780318935973957
Energy: 0.7556108159110211
Energy: 0.8503060843600961
Energy: 0.7556108159101314
Energy: 0.7600516767706752
Energy: 0.7175513430494517
Energy: 0.728644100551209
Energy: 0.7175513430494517
Energy: 0.7584868267982086
Energy: 0.7192102412484882
Energy: 0.8979089059261967
Energy: 0.7192102412484882
Energy: 0.8532390492104511
Energy: 0.7689898857802627
Energy: 0.7658059986524289
Energy: 0.7689898857811522
Energy: 0.8508811902784915
Energy: 0.7664597245561461
Energy: 0.762917985878406
Energy: 0.7664597245561461
Energy: 0.8612073894002601
Energy: 0.8098517111090744
Energy: 0.7618731583521211
Energy: 0.8098517111090744
Energy: 0.9084700900703443
Energy: 0.7635631011648295
Energy: 0.7628186859269759
Energy: 0.7635631011648295
Energy: 0.9098133434428457
Energy: 0.7854727899229731
Energy: 0.7641859427236654
Energy: 0.7854727899229731
Energy: 0.8352105255592583
Energy: 0.8336152011900488
Energy: 0.7657410296448497
Energy: 0.8336152011900488
Energy: 0.8217574697445157
Energy: 0.7856280858638627
Energy: 0.820947730897377
Energy: 0.7856280858638627
Energy: 0.8225180912951079
Energy: 0.783125960578527
Energy: 0.8211076142101636
Energy: 0.7831259605794167
Energy: 0.8221714095561161
Energy: 0.8024857377972986
Energy: 0.7621018564780585
Energy: 0.802485737796409
Energy: 0.8692965707640959
Energy: 0.8193324867694541
Energy: 0.8188489439355874
Energy: 0.8193324867694541

minimum gb energy = 0.7175513430494517 eV
minimum distance =  2.60180830378874 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.1854243319419933
Energy: 0.8350566168726395
Energy: 0.8349683802587756
Energy: 0.8350566168713813
Energy: 0.7344503915526045
Energy: 0.739687159476691
Energy: 0.814835414608719
Energy: 0.7396871594779492
Energy: 0.7325356859260579
Energy: 0.7341799619714943
Energy: 0.8123868215277372
Energy: 0.7341799619708651
Energy: 0.7333068185377737
Energy: 0.73448105816838
Energy: 0.8956009643787342
Energy: 0.73448105816838
Energy: 0.7331296594632476
Energy: 0.733596475276469
Energy: 0.8752504992612801
Energy: 0.7335964752821309
Energy: 0.7380777732879052
Energy: 0.7355333058896967
Energy: 0.8740486855026567
Energy: 0.7355333058896967
Energy: 0.8095146246095167
Energy: 0.7331789019824516
Energy: 0.7359760775709446
Energy: 0.7331789019811935
Energy: 0.810358566894421
Energy: 0.7364477105264668
Energy: 0.7351725633067203
Energy: 0.7364477105296124
Energy: 0.8964295512769471
Energy: 0.7365359105600221
Energy: 0.7365322829516527
Energy: 0.7365359105637967
Energy: 0.8758201395759474
Energy: 0.7336076262290298
Energy: 0.7321664151228903
Energy: 0.7336076262284007
Energy: 0.8174296285924687
Energy: 0.8106206280729237
Energy: 0.7364144430689104
Energy: 0.8106206280710364
Energy: 0.8136853842928838
Energy: 0.8128881025498815
Energy: 0.8083024802328698
Energy: 0.8128881025536561
Energy: 0.8087001557566811
Energy: 0.7778510944116582
Energy: 0.8121574870493665
Energy: 0.7778510944091418
Energy: 0.8108499722513726
Energy: 0.7769296791514351
Energy: 0.7411194021307265
Energy: 0.7769296791489186
Energy: 0.8118516138150736
Energy: 0.7775503296247865
Energy: 0.7396761142807151
Energy: 0.7775503296247865
Energy: 0.7452841741611308
Energy: 0.8123446945265336
Energy: 0.8135405550145739
Energy: 0.8123446945271626
Energy: 0.7448654086562797
Energy: 0.8105514508795904
Energy: 0.8170203027153871
Energy: 0.8105514508751867
Energy: 0.7329905619971242
Energy: 0.7336962571128863
Energy: 0.8184961212759806
Energy: 0.7336962571084826
Energy: 0.7361879074534319
Energy: 0.736491658483296
Energy: 0.8166126613231571
Energy: 0.7364916584864414
Energy: 0.7350282271872276
Energy: 0.7362131277669665
Energy: 0.7464715950811907
Energy: 0.7362131277663375
Energy: 0.7358172465423379
Energy: 0.7334150012659048
Energy: 0.8771556266851761
Energy: 0.7334150012690503
Energy: 0.8105906013706502
Energy: 0.7348186052022123
Energy: 0.7380629789436519
Energy: 0.7348186052009542
Energy: 0.8101389982045456
Energy: 0.7336046078602358
Energy: 0.7326118707754123
Energy: 0.7336046078596067
Energy: 0.8950606774060432
Energy: 0.7344258765622887
Energy: 0.7331623634499869
Energy: 0.7344258765616597
Energy: 0.8751863458956254
Energy: 0.7344475701729132
Energy: 0.7326574496794193
Energy: 0.7344475701697962
Energy: 0.8738196326739373
Energy: 0.7387690618028756
Energy: 0.7347308620257136
Energy: 0.7387690618035047
Energy: 0.8348744269268988
Energy: 0.8348873375170857
Energy: 1.0385358459097151
Energy: 0.834887337519602
Energy: 0.8082267653650365
Energy: 0.7794014467967323
Energy: 0.8134246472697066
Energy: 0.7794014467967323
Energy: 0.8138584446385071
Energy: 0.77776166385079
Energy: 0.8089024764406777
Energy: 0.7777616638533065
Energy: 0.8119089924262153
Energy: 0.778866653761234
Energy: 0.741011070582979
Energy: 0.778866653761863
Energy: 0.7443739869046347
Energy: 0.8113368989220615
Energy: 0.8108218955857004
Energy: 0.8113368989176863

minimum gb energy = 0.7321664151228903 eV
minimum distance =  2.62560053665625 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.6965338933051702
Energy: 0.8147123475354313
Energy: 0.7099796089879749
Energy: 0.8147123475352123
Energy: 0.7074493247042271
Energy: 0.7502417556272812
Energy: 0.7061492231551835
Energy: 0.750241755627062
Energy: 0.7029256373626311
Energy: 0.7428171429368319
Energy: 0.6931407329768238
Energy: 0.7428171429361988
Energy: 0.6957942816133342
Energy: 0.7044830528125907
Energy: 0.703597181151875
Energy: 0.7044830528132482
Energy: 0.7025318325530668
Energy: 0.7084203831190353
Energy: 0.6946788217968547
Energy: 0.7084203831188164
Energy: 0.7029939217919461
Energy: 0.7450248597019277
Energy: 0.6955246521187882
Energy: 0.7450248596987137
Energy: 0.6928462847943414
Energy: 0.7428689053860377
Energy: 0.7022590862506874
Energy: 0.7428689053862569
Energy: 0.7062353279144434
Energy: 0.7091538854386971
Energy: 0.6976768116415561
Energy: 0.7091538854386971
Energy: 0.6959265318103334
Energy: 0.7079099511524508
Energy: 0.7086377373272678
Energy: 0.7079099511522318

minimum gb energy = 0.6928462847943414 eV
minimum distance =  2.65802023845058 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.010779679820023
Energy: 0.6927889932420543
Energy: 0.7938020558251048
Energy: 0.6927889932420543
Energy: 0.7509205349152493
Energy: 0.6904906811101366
Energy: 0.8070087826993211
Energy: 0.6904906811101366
Energy: 0.803398736360908
Energy: 0.7433817391521872
Energy: 0.8126858044601922
Energy: 0.7433817391492158
Energy: 0.7607778048832322
Energy: 0.7454861643868969
Energy: 0.8147011189479955
Energy: 0.7454861643892738
Energy: 0.7522177832844333
Energy: 0.6901874182600137
Energy: 0.7633713478516599
Energy: 0.6901874182600137
Energy: 0.6898781842541614
Energy: 0.7012245150869588
Energy: 0.7632499959813537
Energy: 0.7012245150869588
Energy: 0.6890414135989563
Energy: 0.6894690880294319
Energy: 0.8141993380166498
Energy: 0.689469088027649
Energy: 0.694391532123054
Energy: 0.6913350074385828
Energy: 0.8664681554985983
Energy: 0.6913350074409599
Energy: 0.7343433591021054
Energy: 0.7095485478109952
Energy: 0.8568474422619482
Energy: 0.7095485478115895
Energy: 0.8815860969436947
Energy: 0.6773536800604564
Energy: 0.6842754655735473
Energy: 0.677353680064022
Energy: 0.7337937029666161
Energy: 0.6754012190409036
Energy: 0.6772410245394118
Energy: 0.6754012190391208
Energy: 0.8616089604847542
Energy: 0.6783727067180197
Energy: 0.6793822461373479
Energy: 0.6783727067180197
Energy: 0.8663445118155503
Energy: 0.6750475616091808
Energy: 0.6864100486867912
Energy: 0.6750475616044266
Energy: 0.7146445830032688
Energy: 0.6667926121812867
Energy: 0.861508429635756
Energy: 0.6667926122270447
Energy: 0.7286866956382294
Energy: 0.6679820615630518
Energy: 0.8602656358147801
Energy: 0.6679820615624578
Energy: 0.7291448712495879
Energy: 0.6660284260720859
Energy: 0.7067252519839948
Energy: 0.6660284260708972
Energy: 0.736159303501658
Energy: 0.7243858752905854
Energy: 0.7050905566134824
Energy: 0.7243858752911796
Energy: 0.8375889676337743
Energy: 0.6677256623817572
Energy: 0.7062273705987694
Energy: 0.6677256623805689
Energy: 0.8437868189795094
Energy: 0.7236252923377536
Energy: 0.7126008950423988
Energy: 0.7236252923353764
Energy: 0.8355452417034844
Energy: 0.7762965926784798
Energy: 0.7621281704745541
Energy: 0.7762965926778855
Energy: 0.7633310760786358
Energy: 0.7011636555693397
Energy: 0.7237159535614575
Energy: 0.7011636555711223
Energy: 0.7630950197112486
Energy: 0.6953586166494086
Energy: 0.6950575909847223
Energy: 0.6953586166488143
Energy: 0.8248466471634813
Energy: 0.6945481078995508
Energy: 0.6945566402928298
Energy: 0.6945481078983623
Energy: 0.8663614752336491
Energy: 0.6957269740836524
Energy: 0.6995389755136381
Energy: 0.695726974080681
Energy: 0.8578553534509862
Energy: 0.755381313430025
Energy: 0.7216889790522408
Energy: 0.7553813134312135
Energy: 0.6814299075047541
Energy: 0.6723293531554708
Energy: 0.8820391695588727
Energy: 0.6723293531578478
Energy: 0.6768393730704659
Energy: 0.6714547485674721
Energy: 0.7232791786625261
Energy: 0.6714547485656893
Energy: 0.670246206687592
Energy: 0.6718647817109595
Energy: 0.7018478790927883
Energy: 0.6718647817115537
Energy: 0.6703032845780099
Energy: 0.6706159108271087
Energy: 0.866467320070717
Energy: 0.6706159108253259
Energy: 0.8611014974838689
Energy: 0.7038782830078825
Energy: 0.7103221979979657
Energy: 0.7038782830078825
Energy: 0.861760426498504
Energy: 0.689120962128707
Energy: 0.6907815888785874
Energy: 0.6891209621298955
Energy: 0.795038642523667
Energy: 0.6887503892261434
Energy: 0.6903245495042905
Energy: 0.6887503892273318
Energy: 0.6957941163141265
Energy: 0.6894381603725175
Energy: 0.6901103828660197
Energy: 0.6894381603707348

minimum gb energy = 0.6660284260708972 eV
minimum distance =  2.61914567068346 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.0029684730969042
Energy: 0.6547636313469811
Energy: 0.6574692805655041
Energy: 0.6547636313453379
Energy: 0.6551173613176485
Energy: 0.6546787744735237
Energy: 0.7940800463302731
Energy: 0.6546787744743454
Energy: 0.7941371784277135
Energy: 0.7227568656391617
Energy: 0.7969291639416942
Energy: 0.7227568656391617
Energy: 0.6731035430046519
Energy: 0.7237016611090731
Energy: 0.788091264119463
Energy: 0.7237016611074298
Energy: 0.6549954347188117
Energy: 0.6535582548671963
Energy: 0.7923757683304066
Energy: 0.6535582548671963
Energy: 0.6533201137923622
Energy: 0.6660990279136663
Energy: 0.7851600856465497
Energy: 0.6660990279153096
Energy: 0.6516521760540543
Energy: 0.6526854593094717
Energy: 0.789073244873807
Energy: 0.6526854593119368
Energy: 0.6550578412669689
Energy: 0.6558179607546895
Energy: 0.8975035172310099
Energy: 0.6558179607530461
Energy: 0.7905734207954683
Energy: 0.6833436323253838
Energy: 0.8971948365560198
Energy: 0.6833436323262053
Energy: 0.7952950893699672
Energy: 0.6574989586647324
Energy: 0.6695433838172569
Energy: 0.6574989586639107
Energy: 0.7899999794023606
Energy: 0.6528549917836445
Energy: 0.6522105188649532
Energy: 0.6528549917811796
Energy: 0.6292392282543864
Energy: 0.6579597488370265
Energy: 0.6531874070565054
Energy: 0.6579597488353831
Energy: 0.8943325640313813
Energy: 0.6533729108305937
Energy: 0.6543172614124659
Energy: 0.653372910829772
Energy: 0.7878795020821592
Energy: 0.7238686275775473
Energy: 0.7957501293586796
Energy: 0.7238686275791906
Energy: 0.6758966977117579
Energy: 0.7219368090103938
Energy: 0.7952126702703334
Energy: 0.7219368090112154
Energy: 0.6772175067213029
Energy: 0.653913839482932
Energy: 0.6553994091173736
Energy: 0.6539138394821103
Energy: 0.6536562053876747
Energy: 0.657063271215762
Energy: 0.8101054857135229
Energy: 0.6570632712174053
Energy: 0.6643963213571493
Energy: 0.6560615033366524
Energy: 0.7856406411521061
Energy: 0.6560615033366524
Energy: 0.6520475002243932
Energy: 0.6542453570714166
Energy: 0.9016644778190931
Energy: 0.6542453570730601
Energy: 0.6552771706290249
Energy: 0.6653828312483294
Energy: 0.8973762556271557
Energy: 0.6653828312491511
Energy: 0.7924163764387726
Energy: 0.6785440759968658
Energy: 0.6549840146757139
Energy: 0.6785440759952226
Energy: 0.7928171588350937
Energy: 0.6539379486181182
Energy: 0.655822592874882
Energy: 0.6539379486189398
Energy: 0.7883640739890778
Energy: 0.6526564075353198
Energy: 0.6526774367261395
Energy: 0.6526564075377849
Energy: 0.8973252841552933
Energy: 0.6535638082569579
Energy: 0.6535821904218787
Energy: 0.6535638082577796

minimum gb energy = 0.6292392282543864 eV
minimum distance =  2.62961739413127 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.066605061876214
Energy: 0.6482552035633832
Energy: 0.7681448552439093
Energy: 0.6482552038629011
Energy: 0.6494968083672293
Energy: 0.6464305507400722
Energy: 0.7338713036206742
Energy: 0.6464305507395873
Energy: 0.8307833302784907
Energy: 0.6459504569661343
Energy: 0.7525267437921433
Energy: 0.6459504569676577
Energy: 0.8469106063432681
Energy: 0.676616535287279
Energy: 0.7301712626613521
Energy: 0.6766165352867711
Energy: 0.7173971121470495
Energy: 0.6301201629028076
Energy: 0.7437727574795835
Energy: 0.6301201629028076
Energy: 0.6305487682757899
Energy: 0.6297009297301194
Energy: 0.7239434981283218
Energy: 0.6297009297296117
Energy: 0.6304541088418437
Energy: 0.6297561258299278
Energy: 0.6705781809569193
Energy: 0.6297561258304356
Energy: 0.6362342740903495
Energy: 0.6322402434004986
Energy: 0.6310857045621764
Energy: 0.6322402433994828
Energy: 0.7212260829934812
Energy: 0.6323135052353126
Energy: 0.803841252345932
Energy: 0.632313505234297
Energy: 0.7550703726718114
Energy: 0.679357385645669
Energy: 0.7426931767388284
Energy: 0.679357385645669
Energy: 0.7191168162308719
Energy: 0.6440328876754317
Energy: 0.6559412791400601
Energy: 0.6440328876754317
Energy: 0.7232260098274241
Energy: 0.647385587511704
Energy: 0.7418160086762455
Energy: 0.647385587511704
Energy: 0.7193078341404658
Energy: 0.6442446559537761
Energy: 0.6449394450884832
Energy: 0.6442446559527605
Energy: 0.6452974703086851
Energy: 0.64373863557862
Energy: 0.6447967111461952
Energy: 0.6437386355796357
Energy: 0.8426415005548821
Energy: 0.645580064191933
Energy: 0.6498184285660207
Energy: 0.6455800641924409
Energy: 0.8434834708702984
Energy: 0.6448167310116981
Energy: 0.6477953515445153
Energy: 0.6448167310111902
Energy: 0.655415044146798
Energy: 0.6524582948006331
Energy: 0.7416895758354601
Energy: 0.6524582948006331
Energy: 0.6439605291592495
Energy: 0.6447590032195565
Energy: 0.8286840800758952
Energy: 0.6447590032190486
Energy: 0.654235639787495
Energy: 0.648222793997127
Energy: 0.731437568888438
Energy: 0.6482227939956033
Energy: 0.6453005116905164
Energy: 0.7304229479537707
Energy: 0.6335368085501989
Energy: 0.7304229479517393
Energy: 0.7534553863903712
Energy: 0.6455217314834222
Energy: 0.6596562200992303
Energy: 0.64552173148393
Energy: 0.752636150230348
Energy: 0.766226965026001
Energy: 0.841600899759505
Energy: 0.7662269650265088
Energy: 0.7311382746127081
Energy: 0.6751300346565389
Energy: 0.8437526256074678
Energy: 0.6751300346565389
Energy: 0.737792632743352
Energy: 0.6308546004886914
Energy: 0.7171990035454512
Energy: 0.6308546004881833
Energy: 0.8320311697579235
Energy: 0.6305245627953675
Energy: 0.6297292462499018
Energy: 0.6305245627948596
Energy: 0.7446973286641901
Energy: 0.6304969743825283
Energy: 0.6326877668491337
Energy: 0.6304969743835439
Energy: 0.6341139406320905
Energy: 0.6317078165805473
Energy: 0.6340076462888701
Energy: 0.6317078165800396
Energy: 0.732161030913587
Energy: 0.6318616186478143
Energy: 0.8304217429990288
Energy: 0.6318616186473065
Energy: 0.7356728023119748
Energy: 0.6783885143983018
Energy: 0.7526037355224262
Energy: 0.6783885143983018
Energy: 0.6565829690005403
Energy: 0.6439372033917585
Energy: 0.7181659973405079
Energy: 0.6439372033882036
Energy: 0.730340519428631
Energy: 0.6438061885428141
Energy: 0.7171592721973586
Energy: 0.6438061885428141
Energy: 0.6442693514922458
Energy: 0.6443697200298011
Energy: 0.7178919926889358
Energy: 0.6443697200298011
Energy: 0.6436721002375658
Energy: 0.6435647973875593
Energy: 0.6466218321386504
Energy: 0.6435647973870515
Energy: 0.6491307504326597
Energy: 0.6467241644206602
Energy: 0.8455049370328905
Energy: 0.6467241644206602
Energy: 0.6488005269872732
Energy: 0.660407691530627
Energy: 0.8563245018920617
Energy: 0.6604076915311348
Energy: 0.7444593930672411
Energy: 0.6472433280306049
Energy: 0.6661382826217837
Energy: 0.6472433280300971
Energy: 0.8259009937085943
Energy: 0.6441084453613897
Energy: 0.6451014540295122
Energy: 0.6441084453624055
Energy: 0.8041111337103916
Energy: 0.6464021610092617
Energy: 0.6443832799689255
Energy: 0.6464021610102776

minimum gb energy = 0.6297009297296117 eV
minimum distance =  2.6231880669657 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.12524318102278
Energy: 0.591672303968886
Energy: 0.5929361149616714
Energy: 0.5916723039699431
Energy: 0.5915989640982732
Energy: 0.6421155075168541
Energy: 0.5919459426544542
Energy: 0.6421155075167334
Energy: 0.5848004716526711
Energy: 0.6428216582791261
Energy: 0.6023646252936525
Energy: 0.6428216582792621
Energy: 0.5854944044557782
Energy: 0.6431170885373554
Energy: 0.5903818871670543
Energy: 0.6431170885381557
Energy: 0.5890633643495747
Energy: 0.5894591540330298
Energy: 0.5974122515095888
Energy: 0.5894591540331658
Energy: 0.5895147639317337
Energy: 0.5888957568299479
Energy: 0.5966133087325453
Energy: 0.5888957568299479
Energy: 0.5889809964272811
Energy: 0.5880895369233842
Energy: 0.5907970480819303
Energy: 0.5880895369231123
Energy: 0.5922075331464426
Energy: 0.5921624126639843
Energy: 0.5850805869324543
Energy: 0.5921624126641202
Energy: 0.591880538312387
Energy: 0.591264282072111
Energy: 0.5923046131124456
Energy: 0.591264282072111
Energy: 0.6048986116867844
Energy: 0.6438289255684883
Energy: 0.601076779985043
Energy: 0.6438289255686243
Energy: 0.5909301088606802
Energy: 0.6445944588617035
Energy: 0.5836117994593902
Energy: 0.6445944588615676
Energy: 0.5961706807928638
Energy: 0.5925038313483835
Energy: 0.590328348914269
Energy: 0.5925038313485194
Energy: 0.5981909923874635
Energy: 0.5901007574048872
Energy: 0.5893891926904334
Energy: 0.590100757405159
Energy: 0.5907606030023937
Energy: 0.5879055413113559
Energy: 0.5879183773357597
Energy: 0.5879055413114918
Energy: 0.5854006354460328
Energy: 0.5896263497717592
Energy: 0.5901362220222801
Energy: 0.5896263497717592

minimum gb energy = 0.5836117994593902 eV
minimum distance =  2.65100966697117 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.9924385486376774
Energy: 0.5578292016879545
Energy: 0.7110153855130581
Energy: 0.5578292016573475
Energy: 0.6534362937839769
Energy: 0.5571277520615995
Energy: 0.6714567369947324
Energy: 0.5571277520588146
Energy: 0.5687475209117082
Energy: 0.5549828752446575
Energy: 0.6631857952096111
Energy: 0.554982875240202
Energy: 0.7646566655470736
Energy: 0.5576341904733733
Energy: 0.6516233805108395
Energy: 0.5576341904756011
Energy: 0.6544863653934039
Energy: 0.5568367214288655
Energy: 0.8382534323273945
Energy: 0.5568367214283086
Energy: 0.6533709518958096
Energy: 0.5558209266827212
Energy: 0.8360975675920873
Energy: 0.5558209266793794
Energy: 0.6620312557807063
Energy: 0.555514030044308
Energy: 0.6499834684389996
Energy: 0.5555140300459789
Energy: 0.5587626506507225
Energy: 0.5547379210868624
Energy: 0.647726250724415
Energy: 0.5547379210890901
Energy: 0.5642858708251797
Energy: 0.5562483223843566
Energy: 0.6500745670089448
Energy: 0.5562483223860275
Energy: 0.5543440650110167
Energy: 0.5551387157160622
Energy: 0.6566403318767441
Energy: 0.555138715709404
Energy: 0.5561027466093758
Energy: 0.5587150054792057
Energy: 0.9929159843604439
Energy: 0.5587150054803196
Energy: 0.6563574277446084
Energy: 0.5548838377784298
Energy: 0.6524376461774317
Energy: 0.5548838377823284
Energy: 0.6719780847631452
Energy: 0.5843809748906597
Energy: 0.7676300476419151
Energy: 0.584380974888432
Energy: 0.651769036817501
Energy: 0.5858826315262632
Energy: 0.7649045128028577
Energy: 0.5858826315273771
Energy: 0.6582624283501599
Energy: 0.5567725888848694
Energy: 0.6524071184670509
Energy: 0.5567725888843125
Energy: 0.6553952546053878
Energy: 0.5558225259813141
Energy: 0.5581150365931218
Energy: 0.5558225259868835
Energy: 0.6526085631375039
Energy: 0.5552650806537446
Energy: 0.5571657213123767
Energy: 0.5552650806520736
Energy: 0.9008154381810387
Energy: 0.556882300296202
Energy: 0.5576422660901215
Energy: 0.5568823002995437
Energy: 0.7371433595415048
Energy: 0.5559990526473904
Energy: 0.6491041153491847
Energy: 0.5559990526490611
Energy: 0.6565359022822475
Energy: 0.5544355840437549
Energy: 0.6624443795433568
Energy: 0.5544355840387424
Energy: 0.7674283040313282
Energy: 0.5539784101790941
Energy: 0.6495703658372051
Energy: 0.5539784101768664
Energy: 0.6570506622809419
Energy: 0.5932994216110651
Energy: 0.6483734094576197
Energy: 0.593299421612736
Energy: 0.6539720619793594
Energy: 0.5574485131183338
Energy: 0.8388211341684072
Energy: 0.557448513116663
Energy: 0.5588544517478707
Energy: 0.5540836805123699
Energy: 0.6519271021646729
Energy: 0.554083680510699
Energy: 0.6502346665767668
Energy: 0.5557702985159946
Energy: 0.6479247411122161
Energy: 0.5557702985120959
Energy: 0.5553830715111938
Energy: 0.5544657477632617
Energy: 0.6484988592447746
Energy: 0.5544657477582491
Energy: 0.5545229172555933
Energy: 0.5542920437237798
Energy: 0.6543170648037965
Energy: 0.5542920437198812
Energy: 0.5643450238464847
Energy: 0.5566035554435811
Energy: 0.5657869771047593
Energy: 0.5566035554441382
Energy: 0.6555764508992207
Energy: 0.5563545514314427
Energy: 0.7506465354886245
Energy: 0.5563545514292149
Energy: 0.661953779883385
Energy: 0.5862231644247969
Energy: 0.6540370035327998
Energy: 0.5862231644275817
Energy: 0.6526166960224088
Energy: 0.589112344652263
Energy: 0.7680494594162669
Energy: 0.5891123446489213
Energy: 0.6588547762039063
Energy: 0.5549867348726853
Energy: 0.7653833235045872
Energy: 0.5549867348721282
Energy: 0.6596199878242954
Energy: 0.5557838109988793
Energy: 0.5662713139288711
Energy: 0.5557838109966515
Energy: 0.7655924197459256
Energy: 0.5543423981569476
Energy: 0.5546133686542762
Energy: 0.5543423981547198
Energy: 0.73695721248812
Energy: 0.5555840380837171
Energy: 0.5580985439909715
Energy: 0.555584038084831

minimum gb energy = 0.5539784101768664 eV
minimum distance =  2.64598081882869 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.8662029510947052
Energy: 0.5078737285025694
Energy: 0.5089338351853105
Energy: 0.5078737285025694
Energy: 0.8297511418421732
Energy: 0.5066034313885662
Energy: 0.6669873109175019
Energy: 0.5066034313885662
Energy: 0.8237464900336008
Energy: 0.5631965844917187
Energy: 0.6702665527606315
Energy: 0.5631965844907605
Energy: 0.8223570629875724
Energy: 0.564685957262559
Energy: 0.6682353469440137
Energy: 0.564685957262559
Energy: 0.6676803987112352
Energy: 0.5639367603656948
Energy: 0.6682043024604484
Energy: 0.5639367603656948
Energy: 0.6700801337219415
Energy: 0.5071908443721758
Energy: 0.8273782833649128
Energy: 0.5071908443769669
Energy: 0.5064941716458327
Energy: 0.5056962480403228
Energy: 0.8276890577518542
Energy: 0.5056962480403228
Energy: 0.5125898147811363
Energy: 0.5064462618408566
Energy: 0.8231035355163516
Energy: 0.5064462618408566
Energy: 0.5060901801125891
Energy: 0.5084783860398954
Energy: 0.8229189176931568
Energy: 0.5084783860398954
Energy: 0.5056424124454966
Energy: 0.5066167605831406
Energy: 0.7608994380057789
Energy: 0.5066167605840988
Energy: 0.508933835252342
Energy: 0.5078737288665388
Energy: 0.866202951093747
Energy: 0.5078737288665388
Energy: 0.6669873109175019
Energy: 0.5066034313885662
Energy: 0.7605761791536076
Energy: 0.5066034313885662
Energy: 0.6702665527606315
Energy: 0.5631965844907605
Energy: 0.8237464900336008
Energy: 0.5631965844907605
Energy: 0.6682353469449718
Energy: 0.564685957262559
Energy: 0.8223570629875724
Energy: 0.5646859572616226
Energy: 0.6682043024594901
Energy: 0.5639367603656948
Energy: 0.6676803987131515
Energy: 0.5639367603656948
Energy: 0.7606628732964187
Energy: 0.5071908443769669
Energy: 0.6700801337209833
Energy: 0.5071908443721758
Energy: 0.8276890577518542
Energy: 0.5056962480403228
Energy: 0.5064941716458327
Energy: 0.5056962480403228
Energy: 0.8231035355173099
Energy: 0.5064462618408566
Energy: 0.5125898147811363
Energy: 0.5064462618408566
Energy: 0.8229189176931568
Energy: 0.5084783860398954
Energy: 0.5060901801125891
Energy: 0.5084783860408535
Energy: 0.8299392254284196
Energy: 0.5066167605840988
Energy: 0.5056424124464548
Energy: 0.5066167605840988

minimum gb energy = 0.5056424124454966 eV
minimum distance =  2.6537911147751 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.0220447455577217
Energy: 0.4517931445245743
Energy: 0.6307548231944445
Energy: 0.4517931445193366
Energy: 0.9161607245602175
Energy: 0.4496683772943846
Energy: 0.581177136293387
Energy: 0.4496683772936363
Energy: 0.9139792390199142
Energy: 0.4487673886197471
Energy: 0.5845009416937351
Energy: 0.4487673886197471
Energy: 0.7189980981442079
Energy: 0.4526932458570924
Energy: 0.5807971708944667
Energy: 0.4526932458570924
Energy: 0.8138037948061139
Energy: 0.4951815923243322
Energy: 0.8137613864309575
Energy: 0.4951815923243322
Energy: 0.7152386184454655
Energy: 0.49373227746689585
Energy: 0.8159549857788863
Energy: 0.4937322774661476
Energy: 0.7168550742434148
Energy: 0.49583615952895954
Energy: 0.8139855028996001
Energy: 0.49583615952895954
Energy: 0.5810991588606563
Energy: 0.4529851494131601
Energy: 0.811503151910134
Energy: 0.45298514941390833
Energy: 0.5835985679979582
Energy: 0.4486973727803348
Energy: 0.9189789395594183
Energy: 0.4486973727803348
Energy: 0.5839672648941432
Energy: 0.44990657312883636
Energy: 0.9160671654528483
Energy: 0.4499065731295846
Energy: 0.44965889300275597
Energy: 0.4527294256265253
Energy: 0.8710163720876263
Energy: 0.4527294256272735
Energy: 0.4516828955783362
Energy: 0.44941793782263034
Energy: 0.9162931731283269
Energy: 0.44941793782263034
Energy: 0.45027534988590073
Energy: 0.4509819074341176
Energy: 0.9111026778657171
Energy: 0.4509819074341176
Energy: 0.458235647218109
Energy: 0.4535166068432735
Energy: 0.9098524426425426
Energy: 0.4535166068432735
Energy: 0.5842283447544558
Energy: 0.44868560371691885
Energy: 0.9142396292568867
Energy: 0.44868560371691885
Energy: 0.5841930017117118
Energy: 0.4498535654260333
Energy: 0.9163791527430801
Energy: 0.44985356542528504
Energy: 0.7194992202844231
Energy: 0.4509342978239577
Energy: 0.9111478780891203
Energy: 0.4509342978239577
Energy: 0.584391303491649
Energy: 0.49738079223786646
Energy: 0.8165372731903492
Energy: 0.49738079223786646
Energy: 0.8136034717036658
Energy: 0.4943049296251991
Energy: 0.7165935012820542
Energy: 0.4943049296251991
Energy: 0.9156560874420101
Energy: 0.4948620894853873
Energy: 0.7155088532276315
Energy: 0.4948620894853873
Energy: 0.8720890535387682
Energy: 0.45169725491756085
Energy: 0.5847872977146414
Energy: 0.45169725491756085
Energy: 0.9161494813734282
Energy: 0.44823567146957
Energy: 0.44897443199491305
Energy: 0.44823567146957
Energy: 0.9170108821041233
Energy: 0.45075099012104936
Energy: 0.5808839812245292
Energy: 0.4507509901203012
Energy: 0.8156858253011715
Energy: 0.4499417789491358
Energy: 0.45455123968895045
Energy: 0.4499417789491358
Energy: 0.914747698490284
Energy: 0.4484632874907887
Energy: 0.449014971451952
Energy: 0.4484632874907887
Energy: 0.9146996950846468
Energy: 0.4498312683958569
Energy: 0.4530541468305683
Energy: 0.44983126839660514

minimum gb energy = 0.44823567146957 eV
minimum distance =  2.65333750521242 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.185012885663985
Energy: 0.4141098943707601
Energy: 0.6028754506591568
Energy: 0.4141098944020174
Energy: 0.9752561733854351
Energy: 0.411148984322616
Energy: 0.5264799646730222
Energy: 0.4111489843201622
Energy: 0.9725065315199461
Energy: 0.41047150806037996
Energy: 0.5227987908949089
Energy: 0.410471508059153
Energy: 0.8456313692231389
Energy: 0.41381172921599374
Energy: 0.635224481918208
Energy: 0.41381172921722065
Energy: 0.895470126781088
Energy: 0.40907298097355516
Energy: 0.7226872560865321
Energy: 0.40907298097539546
Energy: 0.8502373481495633
Energy: 0.559060766639786
Energy: 0.7211414602043538
Energy: 0.5590607666385591
Energy: 0.8534164794678063
Energy: 0.44866658212712723
Energy: 0.7858829467664697
Energy: 0.4486665821283541
Energy: 0.7251755203164716
Energy: 0.4116772667832407
Energy: 0.7698947436076101
Energy: 0.411677266785081
Energy: 0.6761341525483151
Energy: 0.4104655717799677
Energy: 0.8902704808259444
Energy: 0.4104655717799677
Energy: 0.6743131703435845
Energy: 0.4085188757076461
Energy: 0.8886182014992617
Energy: 0.40851887570641926
Energy: 0.5171478667227738
Energy: 0.40852281164441806
Energy: 0.9266326313701205
Energy: 0.408522811648712
Energy: 0.518016332746221
Energy: 0.40844337217870313
Energy: 0.8883325819524496
Energy: 0.4084433721768629
Energy: 0.5104772755347852
Energy: 0.4107272866290703
Energy: 0.9321295828593421
Energy: 0.4107272866290703
Energy: 0.46985396340514585
Energy: 0.4089380094708726
Energy: 0.9263208875631229
Energy: 0.4089380094708726
Energy: 0.4633943539566822
Energy: 0.40910695448045054
Energy: 0.9666326850807162
Energy: 0.4091069544816774
Energy: 0.4687799709987837
Energy: 0.4078841968298397
Energy: 0.9725005604578321
Energy: 0.40788419682677246
Energy: 0.579473032663829
Energy: 0.4094524103274454
Energy: 0.9754284952869465
Energy: 0.4094524103274454
Energy: 0.5707621777408529
Energy: 0.4056685330323256
Energy: 0.9672506010882984
Energy: 0.405668533032939
Energy: 0.5755133863666394
Energy: 0.40812980022838197
Energy: 0.8513251833959712
Energy: 0.4081298002247014
Energy: 0.7099694334393746
Energy: 0.40692439168972616
Energy: 0.8499684353675415
Energy: 0.4069243916903396
Energy: 0.7246349047367397
Energy: 0.4084975014487181
Energy: 0.8061243513944897
Energy: 0.4084975014487181
Energy: 0.7101718077813003
Energy: 0.44462075501430853
Energy: 0.8543866498502658
Energy: 0.4446207550124682
Energy: 0.8918065441367666
Energy: 0.44597158470344134
Energy: 0.8487788679208441
Energy: 0.4459715847022145
Energy: 0.7691128341203503
Energy: 0.44813881008464823
Energy: 0.7201437556046917
Energy: 0.44813881008464823
Energy: 0.8894258871896696
Energy: 0.4467687547127711
Energy: 0.6838399432612463
Energy: 0.44676875471399796
Energy: 0.9324628874173793
Energy: 0.41071805547524404
Energy: 0.7189033580561033
Energy: 0.41071805547524404
Energy: 0.9350228684383595
Energy: 0.4126855507923408
Energy: 0.5263306153042276
Energy: 0.4126855507941811
Energy: 0.9712936744738648
Energy: 0.409578894847161
Energy: 0.5196108411452579
Energy: 0.4095788948397997
Energy: 0.9341744463435061
Energy: 0.4125167923961669
Energy: 0.5252107772378564
Energy: 0.41251679239555344
Energy: 0.9323958488982671
Energy: 0.41112394320879353
Energy: 0.4176917494947665
Energy: 0.41112394320879353
Energy: 0.9718924985398066
Energy: 0.4093771260315307
Energy: 0.4098375500219857
Energy: 0.4093771260309173
Energy: 0.9344990595549744
Energy: 0.41338011010573505
Energy: 0.4150861607445922
Energy: 0.4133801101137097

minimum gb energy = 0.4056685330323256 eV
minimum distance =  2.6464313872935 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.9644464716762241
Energy: 0.38000877265466815
Energy: 0.5747392865067054
Energy: 0.3800094788636497
Energy: 1.0089663313273138
Energy: 0.37495702585860113
Energy: 0.4733618392766768
Energy: 0.37495702585808144
Energy: 1.009266106056405
Energy: 0.3741332191081797
Energy: 0.47000590488320887
Energy: 0.3741332191097387
Energy: 0.8747381858681327
Energy: 0.3774889727078365
Energy: 0.6482233816798301
Energy: 0.37748897270160053
Energy: 0.9408048071318219
Energy: 0.3727220838806678
Energy: 0.6432736322800158
Energy: 0.3727220838817071
Energy: 0.869401825436693
Energy: 0.37283652864511585
Energy: 0.6421560864493978
Energy: 0.3728365286445962
Energy: 0.7231642161184277
Energy: 0.3758770096409566
Energy: 0.7946276189028783
Energy: 0.3758770096736718
Energy: 0.7976543698137472
Energy: 0.40787613050238986
Energy: 0.6419872851034639
Energy: 0.4078761305096652
Energy: 0.7227875351241994
Energy: 0.40434349798242175
Energy: 0.7935934860202316
Energy: 0.4043434979834611
Energy: 0.7216789249922048
Energy: 0.4061586074755493
Energy: 0.8717274022738632
Energy: 0.40615860750205224
Energy: 0.6467948349098094
Energy: 0.37603355540382516
Energy: 0.8035259453664728
Energy: 0.3760335553960538
Energy: 0.5582036409148307
Energy: 0.37221689743426484
Energy: 0.9362119664025669
Energy: 0.37221689743426484
Energy: 0.6423886679299958
Energy: 0.3734101364701721
Energy: 0.9382010884201919
Energy: 0.37341013646965243
Energy: 0.4737905255863464
Energy: 0.37741834298810195
Energy: 0.8009687599034355
Energy: 0.3774183429875823
Energy: 0.46593946602129355
Energy: 0.37272398056267775
Energy: 1.005944480372078
Energy: 0.37272398056267775
Energy: 0.4713319585337473
Energy: 0.37602849499178265
Energy: 0.9400522769768552
Energy: 0.3760284949923023
Energy: 0.3795582667221078
Energy: 0.3760421506968728
Energy: 0.9436715736299559
Energy: 0.3760421506984082
Energy: 0.37348503459795657
Energy: 0.3732432380211833
Energy: 1.0053352370042044
Energy: 0.3732432380206636
Energy: 0.3808543558998617
Energy: 0.3756537986593656
Energy: 0.8708909480290659
Energy: 0.3756537986593656
Energy: 0.4727078231148431
Energy: 0.3761977269743775
Energy: 1.0115125356639143
Energy: 0.3761977269743775
Energy: 0.46450036396548405
Energy: 0.3732181341662324
Energy: 1.0056213101239413
Energy: 0.373218134166752
Energy: 0.4735712589117462
Energy: 0.37725713309332604
Energy: 0.8754797214393675
Energy: 0.37725713309176706
Energy: 0.6420035204833173
Energy: 0.37385854070463503
Energy: 0.8678756064356091
Energy: 0.37385854070203667
Energy: 0.6432121129572094
Energy: 0.3727083944139266
Energy: 0.9370044371858454
Energy: 0.3727083944144463
Energy: 0.6476010219636837
Energy: 0.37549981430077933
Energy: 0.7283181500227445
Energy: 0.37549981429974
Energy: 0.7961771156110031
Energy: 0.5131014762734392
Energy: 0.8725936666128735
Energy: 0.5131014762734392
Energy: 0.6413034957656087
Energy: 0.4044229701581644
Energy: 0.7941625367843794
Energy: 0.40442297015556605
Energy: 0.7989055789057552
Energy: 0.40769856053796455
Energy: 0.7281215816991292
Energy: 0.4076985605374449
Energy: 0.7978177435450816
Energy: 0.37574099117309034
Energy: 0.7951778176980919
Energy: 0.37574099119283766
Energy: 0.7958514657493156
Energy: 0.3730084185927884
Energy: 0.6427102686094204
Energy: 0.37300841852889327
Energy: 0.9394782224198807
Energy: 0.37272530033849854
Energy: 0.5584319640347732
Energy: 0.37272530034525414
Energy: 0.8006590700081566
Energy: 0.37704237253138223
Energy: 0.6472853652542342
Energy: 0.37704237253242157
Energy: 0.9388381334175367
Energy: 0.3745771793340548
Energy: 0.47141834669082683
Energy: 0.37457717933301554
Energy: 0.9363852685240781
Energy: 0.3742730010637384
Energy: 0.47062778538371347
Energy: 0.374273001062699
Energy: 0.9343925328643878
Energy: 0.3774544703765966
Energy: 0.38431544060186434
Energy: 0.37745447037763585
Energy: 1.0088448542511605
Energy: 0.37621356511947074
Energy: 0.37745787637136796
Energy: 0.37621356511947074
Energy: 1.007297460652756
Energy: 0.376621314635399
Energy: 0.37489604838428814
Energy: 0.3766213146359186

minimum gb energy = 0.37221689743426484 eV
minimum distance =  2.65647047252848 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.0296880951039553
Energy: 0.33755382063202677
Energy: 0.33754826991849507
Energy: 0.3375538206734713
Energy: 0.9624009818283774
Energy: 0.3378288152464804
Energy: 0.42148920002386997
Energy: 0.3378288152464804
Energy: 0.9034387461739659
Energy: 0.3375016360692036
Energy: 0.42161759728924875
Energy: 0.3375016360696543
Energy: 0.772654017244465
Energy: 0.33969614190400615
Energy: 0.5749773958640404
Energy: 0.3396961419044569
Energy: 0.9036320210940781
Energy: 0.336335844094151
Energy: 0.5743443939404723
Energy: 0.33633584409505246
Energy: 0.7758880307119872
Energy: 0.33701931434671095
Energy: 0.5755283626850551
Energy: 0.33701931434490817
Energy: 0.7737121003493787
Energy: 0.3372505262005738
Energy: 0.7129130735818118
Energy: 0.3372505262010245
Energy: 0.8425375068737541
Energy: 0.33680377716927484
Energy: 0.5723779435717818
Energy: 0.33680377716927484
Energy: 0.7781284245105823
Energy: 0.33687686758145985
Energy: 0.7098100885400528
Energy: 0.33687686758145985
Energy: 0.7771258900275342
Energy: 0.3900820255785339
Energy: 0.8377147013454009
Energy: 0.3900820255780832
Energy: 0.7101390264640915
Energy: 0.4752378408329776
Energy: 0.7091661859495799
Energy: 0.4752378408334283
Energy: 0.6468873079727422
Energy: 0.3367460361156413
Energy: 0.838104616821321
Energy: 0.33674603599985076
Energy: 0.7097315482556928
Energy: 0.33715093029733134
Energy: 0.839262622293171
Energy: 0.3371509302959792
Energy: 0.5800566700899136
Energy: 0.33785970752724986
Energy: 0.7077717901243026
Energy: 0.3378597075259182
Energy: 0.4956977244815501
Energy: 0.33656516795368835
Energy: 0.9616892480169259
Energy: 0.3365651679550199
Energy: 0.576831544924543
Energy: 0.3382241628441762
Energy: 0.8405018164818011
Energy: 0.338224162844627
Energy: 0.4217713305252381
Energy: 0.34047915276283414
Energy: 0.837602339402276
Energy: 0.3404791527623835
Energy: 0.4170091665967172
Energy: 0.3365392113303309
Energy: 1.023057777408934
Energy: 0.33653921133123227
Energy: 0.42004262511789703
Energy: 0.33713366777735226
Energy: 0.9613125674461785
Energy: 0.33713366777735226
Energy: 0.33699497947382157
Energy: 0.33870363593190106
Energy: 0.9613492045253882
Energy: 0.33870363593235175
Energy: 0.3372794469433048
Energy: 0.3365543269053571
Energy: 1.0234382279321634
Energy: 0.3365543269053571
Energy: 0.33742857131110904
Energy: 0.33934638088590996
Energy: 0.9005865277704722
Energy: 0.33934638088545926
Energy: 0.4227990188756719
Energy: 0.3395747653405124
Energy: 1.0206934476149028
Energy: 0.339574765339611
Energy: 0.4181971682569269
Energy: 0.3365052973221135
Energy: 1.0254919882057347
Energy: 0.33650529732346557
Energy: 0.4202981780336893
Energy: 0.33686919987444963
Energy: 0.7727691490478774
Energy: 0.336869199875351
Energy: 0.5749042860174529
Energy: 0.3368616046052527
Energy: 0.9647901204984372
Energy: 0.336861604604802
Energy: 0.5743563445855897
Energy: 0.3365577835575202
Energy: 0.9021532827650722
Energy: 0.3365577835462525
Energy: 0.653003944081881
Energy: 0.3384345533834937
Energy: 0.7738411986054035
Energy: 0.3384345533825923
Energy: 0.7125341686139833
Energy: 0.3374053908292896
Energy: 0.9054715791109071
Energy: 0.33740539083109244
Energy: 0.7110342075676267
Energy: 0.33685967966760205
Energy: 0.7751825311817527
Energy: 0.3368596796671513
Energy: 0.8557199314239812
Energy: 0.39087983406256016
Energy: 0.6457831658808977
Energy: 0.39087983407606086
Energy: 0.7092359269765376
Energy: 0.39052270398264166
Energy: 0.7791706641188613
Energy: 0.39052270398264166
Energy: 0.8396398746187601
Energy: 0.33657544651685817
Energy: 0.6445937962647244
Energy: 0.33657544652855603
Energy: 0.9060744177757345
Energy: 0.3368212519867816
Energy: 0.6454841774096802
Energy: 0.33682125188541356
Energy: 0.7077093600442939
Energy: 0.33899263072928776
Energy: 0.5749333103149373
Energy: 0.33899263072928776
Energy: 0.9637953780875824
Energy: 0.3365814643838764
Energy: 0.5737412825548482
Energy: 0.33658146438342573
Energy: 0.9643772888868759
Energy: 0.3370446524675807
Energy: 0.5750518046764166
Energy: 0.33704465246803134
Energy: 0.8375839698209602
Energy: 0.33733800713469786
Energy: 0.4210036503942713
Energy: 0.33733800713424716
Energy: 1.0243983146041602
Energy: 0.33638300478587435
Energy: 0.4179849923801684
Energy: 0.3363830047863251
Energy: 0.9613384269507075
Energy: 0.3395757785158563
Energy: 0.4231594017657664
Energy: 0.3395757785158563
Energy: 0.8366697560534027
Energy: 0.33867027761520285
Energy: 0.336964399892682
Energy: 0.33867027761520285
Energy: 1.0232115505656563
Energy: 0.33651868801134166
Energy: 0.33684882400935356
Energy: 0.33651868801134166
Energy: 0.9006793894790001
Energy: 0.3399982580594241
Energy: 0.33672029691522515
Energy: 0.3399982580589734

minimum gb energy = 0.336335844094151 eV
minimum distance =  2.65090087489161 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.009715422907502913
Energy: 0.2930054231781223
Energy: 0.7714837945743082
Energy: 0.29300542317914247
Energy: 0.5489288954328112
Energy: 0.0712435227006034
Energy: 0.5485891656970479
Energy: 0.07124352270262455
Energy: 0.010086316408361109
Energy: 0.0706943479906873
Energy: 0.5479146606893983
Energy: 0.0706943479906873
Energy: 0.010838489086227598
Energy: 0.07237767340510098
Energy: 0.5511967231440881
Energy: 0.07237767340510098
Energy: 0.5503527214788368
Energy: 0.07256189777237824
Energy: 0.5503084801423073
Energy: 0.07256189777237824
Energy: 0.009972993750015707
Energy: 0.07069470479373711
Energy: 0.5476218741943256
Energy: 0.07069470479373711

minimum gb energy = 0.009715422907502913 eV
minimum distance =  2.85539483068945 Angstroms
sigma value = 1