Model name: model_name=MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6150126680731782
cohesive_energy=3.540278438756699
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.01370019816941503
Energy: 0.014562339899288818
Energy: 1.6520370206859298
Energy: 0.014562339899288818
Energy: 0.01456233989991603
Energy: 1.6950693430995285
Energy: 0.01456233989991603
Energy: 1.6950693430995285
Energy: 1.6520370206859298
Energy: 0.01456233989991603
Energy: 0.01370019816941503
Energy: 0.01456233989991603
Energy: 0.014562339899288818
Energy: 1.6950693430995285
Energy: 0.01456233989991603
Energy: 1.6950693430995285

minimum gb energy = 0.01370019816941503 eV
minimum distance =  2.44691215609227 Angstroms
sigma value = 1


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

Energy: 1.567181474046607
Energy: 1.3336238845226136
Energy: 1.2451094954463566
Energy: 1.3336238845226136
Energy: 1.2701107334349868
Energy: 1.3240016519207207
Energy: 1.2707737281585911
Energy: 1.3240016519207207
Energy: 1.1498909800510382
Energy: 1.3222503561579075
Energy: 1.3261817623993934
Energy: 1.3222503561579075
Energy: 1.2778808534631048
Energy: 1.3482686290749637
Energy: 1.2540649184428152
Energy: 1.348268629074203
Energy: 1.279302545192374
Energy: 1.3382707707977373
Energy: 1.2895667590689603
Energy: 1.338270770798498
Energy: 1.1727837208198864
Energy: 1.569150366079165
Energy: 1.2251265270753402
Energy: 1.569150366079165
Energy: 1.3020223390660144
Energy: 1.3191341982266755
Energy: 1.1750917749457381
Energy: 1.3191341982274363
Energy: 1.0626676349874602
Energy: 1.3406842212412138
Energy: 1.2082939366674392
Energy: 1.3406842212419743
Energy: 1.2534602144434002
Energy: 1.5874142039396775
Energy: 1.2586376142479956
Energy: 1.5874142039404382
Energy: 1.2158328169341757
Energy: 1.3212420793193234
Energy: 1.0508069632601622
Energy: 1.3212420793193234
Energy: 1.2662406900318215
Energy: 1.3196998895614305
Energy: 1.2535246679026046
Energy: 1.3196998895614305
Energy: 1.2314384311577855
Energy: 1.340956837762637
Energy: 1.2318311860695834
Energy: 1.340956837762637
Energy: 1.2693047685865377
Energy: 1.3178343506692223
Energy: 1.3018995750112559
Energy: 1.3178343506692223
Energy: 1.2954522020621344
Energy: 1.328967965740883
Energy: 1.2390235816748332
Energy: 1.328967965740883
Energy: 1.2922907367310659
Energy: 1.3352507128105628
Energy: 1.2611854349448108
Energy: 1.3352507128105628
Energy: 1.2619018413128296
Energy: 1.3352216591760213
Energy: 1.3123847759876086
Energy: 1.3352216591760213
Energy: 1.326451568446638
Energy: 1.3223085031985908
Energy: 1.1535978665901103
Energy: 1.32230850319783
Energy: 1.2707290424249003
Energy: 1.3067114580490957
Energy: 1.300666344051621
Energy: 1.3067114580490957
Energy: 1.0945175662562652
Energy: 1.337922075275866
Energy: 1.2695533971377078
Energy: 1.3379220752766265
Energy: 1.2795226476532742
Energy: 1.2643381583832145
Energy: 1.2551099833142827
Energy: 1.2643381583824538
Energy: 1.2136557114702444
Energy: 1.3223105097386516
Energy: 1.1011327095804964
Energy: 1.3223105097386516
Energy: 1.2541264179814928
Energy: 1.5574937249717935
Energy: 1.2833096844344358
Energy: 1.5574937249725542
Energy: 1.2901299022332107
Energy: 1.3384187338197417
Energy: 1.1574936327943008
Energy: 1.3384187338197417
Energy: 1.237623308277193
Energy: 1.3226130778457048
Energy: 1.1727931234472282
Energy: 1.3226130778457048
Energy: 1.1738321434432801
Energy: 1.5673906332237608
Energy: 1.3020474206496686
Energy: 1.5673906332237608
Energy: 1.307622958486497
Energy: 1.3408686002999284
Energy: 1.1610269115711658
Energy: 1.3408686002999284
Energy: 1.2605246022596108
Energy: 1.5551316878572021
Energy: 1.253471351003332
Energy: 1.5551316878564414
Energy: 1.152588055483701
Energy: 1.3191974765599659
Energy: 1.32085573824002
Energy: 1.3191974765607264
Energy: 1.2693227096330217
Energy: 1.3025217672649876
Energy: 1.2542950371725896
Energy: 1.3025217672649876
Energy: 1.3448962183603757
Energy: 1.3346959516736667
Energy: 1.2175940174434625
Energy: 1.3346959516736667
Energy: 1.2717981271730734
Energy: 1.328294084948949
Energy: 1.2693081233571801
Energy: 1.328294084948949
Energy: 1.2406670115866187
Energy: 1.3193322834034893
Energy: 1.2954069857248156
Energy: 1.3193322834027286
Energy: 1.2793171019246554
Energy: 1.3488511059061659
Energy: 1.2568159233379257
Energy: 1.3488511059054054

minimum gb energy = 1.0508069632601622 eV
minimum distance =  2.28824451571603 Angstroms
sigma value = 1


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

Energy: 1.7030607854683018
Energy: 1.4501201547945646
Energy: 1.2723029201470704
Energy: 1.4501201547936975
Energy: 1.3433446872999533
Energy: 1.4196037205760088
Energy: 1.3502830580762486
Energy: 1.4196037205760088
Energy: 1.2288358107816675
Energy: 1.4530260230587575
Energy: 1.4017499475368234
Energy: 1.4530260230578902
Energy: 1.3219402071740483
Energy: 1.4360426899636591
Energy: 1.2479127730159219
Energy: 1.436042689962792
Energy: 1.321903963530818
Energy: 1.4289046577164002
Energy: 1.370821027941769
Energy: 1.4289046577155327
Energy: 1.3560089908587485
Energy: 1.4255180952141444
Energy: 1.3267678174256545
Energy: 1.4255180952124096
Energy: 1.3353782784099753
Energy: 1.3454908982411653
Energy: 1.2937661789822887
Energy: 1.3454908982420326
Energy: 1.1127562593643405
Energy: 1.4531936112677222
Energy: 1.296298638853902
Energy: 1.453193611266855
Energy: 1.3295489455879057
Energy: 1.3658059002085978
Energy: 1.3566021816125642
Energy: 1.3658059002077307
Energy: 1.3541942517018535
Energy: 1.4531378252611995
Energy: 1.227347065165625
Energy: 1.4531378252629341
Energy: 1.3352649422642264
Energy: 1.403366921158185
Energy: 1.3567605637761788
Energy: 1.4033669211616542
Energy: 1.2235686684249423
Energy: 1.437884362348457
Energy: 1.3730579681699286
Energy: 1.4378843623493245
Energy: 1.4021680379096175
Energy: 1.425336121959939
Energy: 1.3337332891649905
Energy: 1.4253361219608063
Energy: 1.4020538841873098
Energy: 1.4253306736297027
Energy: 1.2392497097041726
Energy: 1.4253306736288354
Energy: 1.2234208247057838
Energy: 1.4379056223726474
Energy: 1.4152988384140595
Energy: 1.4379056223717799
Energy: 1.3352973632886702
Energy: 1.4034317976383839
Energy: 1.350281980291609
Energy: 1.4034317976409858
Energy: 1.3541842419737016
Energy: 1.4531253248768001
Energy: 1.1614768267214304
Energy: 1.4531253248776672
Energy: 1.3296154986831856
Energy: 1.3655518487444902
Energy: 1.356608805851002
Energy: 1.3655518487444902
Energy: 1.1127590732829022
Energy: 1.4531672217474105
Energy: 1.2571344073223834
Energy: 1.4531672217500127
Energy: 1.3353333813189328
Energy: 1.3456533809190157
Energy: 1.2468565983786035
Energy: 1.3456533809181481
Energy: 1.3555722144927769
Energy: 1.4250551542117447
Energy: 1.261146310788681
Energy: 1.4250551542108776
Energy: 1.321933039499366
Energy: 1.4286652804744702
Energy: 1.3361756302944077
Energy: 1.4286652804727356
Energy: 1.3218831269670075
Energy: 1.4365784849420202
Energy: 1.2406734541472602
Energy: 1.4365784849420202
Energy: 1.2288688566179542
Energy: 1.4529995357321976
Energy: 1.4151856200135973
Energy: 1.4529995357321976
Energy: 1.3435188420584396
Energy: 1.4196106356098843
Energy: 1.3501826901041034
Energy: 1.4196106356090172
Energy: 1.7030607854665674
Energy: 1.4501201547945646
Energy: 1.3165164217837984
Energy: 1.4501201547936975
Energy: 1.3433446872999533
Energy: 1.419603720576876
Energy: 1.3502830580753815
Energy: 1.4196037205760088
Energy: 1.2288358107824957
Energy: 1.4530260230587575
Energy: 1.3730567048212154
Energy: 1.4530260230570229
Energy: 1.3219402071740483
Energy: 1.436042689962792
Energy: 1.2479127730159219
Energy: 1.436042689961925

minimum gb energy = 1.1127562593643405 eV
minimum distance =  2.23412420871004 Angstroms
sigma value = 25


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

Energy: 1.6254912789716927
Energy: 1.567981285287646
Energy: 1.4540322732815123
Energy: 1.567981285286638
Energy: 1.474292047474326
Energy: 1.590866394329915
Energy: 1.453662002966315
Energy: 1.590866394329915
Energy: 1.3214997874420518
Energy: 1.5950271675357377
Energy: 1.470185794050897
Energy: 1.5950271675357377
Energy: 1.4353779262477897
Energy: 1.5708514846769412
Energy: 1.334696505912986
Energy: 1.5708514846779495
Energy: 1.4164534106733824
Energy: 1.5531533933536013
Energy: 1.4829004460173298
Energy: 1.5531533933536013
Energy: 1.4750358325737882
Energy: 1.5972935730766737
Energy: 1.4660353114048865
Energy: 1.5972935730776823
Energy: 1.4542844289056016
Energy: 1.50382009767806
Energy: 1.3697695373036183
Energy: 1.50382009767806
Energy: 1.381703678324316
Energy: 1.5583044552000327
Energy: 1.277875186871312
Energy: 1.5583044552000327
Energy: 1.3699010937150327
Energy: 1.5229665355311117
Energy: 1.454598925884718
Energy: 1.5229665355311117
Energy: 1.4686839118750963
Energy: 1.596086739795214
Energy: 1.3996982019411408
Energy: 1.5960867397962222
Energy: 1.436248632143871
Energy: 1.552304533488592
Energy: 1.5006137452782202
Energy: 1.5523045334865757
Energy: 1.3469085714199651
Energy: 1.5675716713225094
Energy: 1.499460276352764
Energy: 1.5675716713225094
Energy: 1.4700754277046046
Energy: 1.586630757905509
Energy: 1.320414138149807
Energy: 1.586630757905509
Energy: 1.435345253024086
Energy: 1.5490565170512869
Energy: 1.45634807322505
Energy: 1.5490565170512869
Energy: 1.1861835239062724
Energy: 1.556819794367808
Energy: 1.2877408151639054
Energy: 1.556819794367808
Energy: 1.4396323818714096
Energy: 1.570752510289502
Energy: 1.4000120974027235
Energy: 1.570752510289502
Energy: 1.248677900804814
Energy: 1.5965468695497185
Energy: 1.2589254552394342
Energy: 1.5965468695497185
Energy: 1.3319521021223029
Energy: 1.5653814970708173
Energy: 1.4229576329893094
Energy: 1.5653814970718256
Energy: 1.449314573817569
Energy: 1.5683799534986724
Energy: 1.3318744008219583
Energy: 1.5683799534986724
Energy: 1.4801701168384096
Energy: 1.5958831784377208
Energy: 1.4526810549680242
Energy: 1.5958831784367125
Energy: 1.4117062042504533
Energy: 1.4828278928098717
Energy: 1.481015584842037
Energy: 1.4828278928098717
Energy: 1.5102367888690988
Energy: 1.5682722050387892
Energy: 1.4604725104630776
Energy: 1.5682722050387892
Energy: 1.4749589432248034
Energy: 1.5451705500455608
Energy: 1.4999390094817706
Energy: 1.5451705500455608
Energy: 1.1861677824657493
Energy: 1.5942146977002893
Energy: 1.46900162291736
Energy: 1.5942146977012976
Energy: 1.5146717018535907
Energy: 1.5756532457987842
Energy: 1.3356341355213137
Energy: 1.5756532457977759

minimum gb energy = 1.1861677824657493 eV
minimum distance =  2.24631511684692 Angstroms
sigma value = 9


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

Energy: 1.6420635280718026
Energy: 1.7093720682671774
Energy: 1.492302031673829
Energy: 1.7093720682659745
Energy: 1.4693608100016722
Energy: 1.667598981729752
Energy: 1.5579805980151054
Energy: 1.6675989817285493
Energy: 1.4287968361293082
Energy: 1.7174977703512657
Energy: 1.5427277277195188
Energy: 1.7174977703524683
Energy: 1.6273368342128676
Energy: 1.7428289061326974
Energy: 1.315306477209269
Energy: 1.7428289061326974
Energy: 1.625232511109412
Energy: 1.6625287043936208
Energy: 1.5378662660877171
Energy: 1.6625287043936208
Energy: 1.2620415663753752
Energy: 1.717581648266498
Energy: 1.4743595488049708
Energy: 1.7175816482652955
Energy: 1.5798578283309554
Energy: 1.3153678520416558
Energy: 1.3160372069631538
Energy: 1.3153678520416558
Energy: 1.4208745039700417
Energy: 1.7177462953801068
Energy: 1.3061232587718519
Energy: 1.7177462953801068
Energy: 1.57879441827214
Energy: 1.6672144858283107
Energy: 1.5870338829983492
Energy: 1.6672144858283107
Energy: 1.5786420879296772
Energy: 1.7096154918696558
Energy: 1.4741074668459802
Energy: 1.7096154918696558
Energy: 1.4253804545613078
Energy: 1.6948329203064514
Energy: 1.542637579637405
Energy: 1.6948329203064514
Energy: 1.6277854589943794
Energy: 1.7406125370508998
Energy: 1.3154138429122608
Energy: 1.7406125370508998
Energy: 1.2620547287934447
Energy: 1.7175701748918053
Energy: 1.4013907082045622
Energy: 1.7175701748906027
Energy: 1.3943339866352895
Energy: 1.5879807096443188
Energy: 1.5537271883043493
Energy: 1.5879807096443188
Energy: 1.2620601553270445
Energy: 1.7176072143287326
Energy: 1.34332820812893
Energy: 1.7176072143299357
Energy: 1.6279201009784234
Energy: 1.7407176597666112
Energy: 1.315443278012512
Energy: 1.740717659767814
Energy: 1.4255939428240858
Energy: 1.6947912289367328
Energy: 1.4189174641619267
Energy: 1.6947912289367328
Energy: 1.5786267753421914
Energy: 1.7095573969852302
Energy: 1.4741910986382118
Energy: 1.7095573969852302
Energy: 1.5787366952807889
Energy: 1.6672459232483938
Energy: 1.4753036693059371
Energy: 1.6672459232483938
Energy: 1.4207123613055292
Energy: 1.717732201265554
Energy: 1.3061162050297517
Energy: 1.7177322012667566
Energy: 1.5798505411610442
Energy: 1.3154064760824795
Energy: 1.3160523528746806
Energy: 1.3154064760836823

minimum gb energy = 1.2620415663753752 eV
minimum distance =  2.32405049087018 Angstroms
sigma value = 25


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

Energy: 1.395519864559607
Energy: 1.8558940509006807
Energy: 1.6582825343875358
Energy: 1.8558940509006807
Energy: 1.3653414113450224
Energy: 1.8231555917053117
Energy: 1.3410518481698068
Energy: 1.8231555917067992
Energy: 1.5719001476766084
Energy: 1.9010040933542756
Energy: 1.340761293539091
Energy: 1.9010040933542756
Energy: 1.6316526698902811
Energy: 1.8037725252789747
Energy: 1.7409907474453685
Energy: 1.8037725252789747
Energy: 1.5018987385493063
Energy: 1.546095877801124
Energy: 1.6461515686773789
Energy: 1.546095877801124
Energy: 1.3451153678602172
Energy: 1.9091699925638594
Energy: 1.3414129054648956
Energy: 1.9091699925638594
Energy: 1.7297640473352296
Energy: 1.6173838007219197
Energy: 1.5714010648916996
Energy: 1.6173838007204324
Energy: 1.754437002816531
Energy: 1.858085111761209
Energy: 1.3957555731824074
Energy: 1.858085111761209
Energy: 1.3408213431660652
Energy: 1.630886099975862
Energy: 1.3669018923712164
Energy: 1.630886099975862
Energy: 1.6403696514581871
Energy: 1.665754819004586
Energy: 1.5714098699631733
Energy: 1.6657548190060736
Energy: 1.4144764363181683
Energy: 1.8558056214533405
Energy: 1.6542666103819197
Energy: 1.8558056214548277
Energy: 1.5419819454429704
Energy: 1.5705783004849592
Energy: 1.5723865781593742
Energy: 1.570578300483472
Energy: 1.5426114371452149
Energy: 1.8423223428716025
Energy: 1.3408251142816479
Energy: 1.8423223428716025
Energy: 1.5417741104550668
Energy: 1.8036610650966822
Energy: 1.6331343775563298
Energy: 1.8036610650966822
Energy: 1.7137863760283265
Energy: 1.8562250121157566
Energy: 1.722005298740266
Energy: 1.8562250121157566
Energy: 1.3650566192686038
Energy: 1.8397603583580708
Energy: 1.3417185203730293
Energy: 1.8397603583580708
Energy: 1.5708400600165549
Energy: 1.439078715524112
Energy: 1.6375503328249434
Energy: 1.4390787155226246

minimum gb energy = 1.340761293539091 eV
minimum distance =  2.3103019261662 Angstroms
sigma value = 17


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

Energy: 1.6829049295273217
Energy: 1.7761137447104847
Energy: 1.784238582975345
Energy: 1.776113744711327
Energy: 1.6010246965007469
Energy: 1.574363838525481
Energy: 1.3960788005300833
Energy: 1.574363838525481
Energy: 1.525604946662391
Energy: 1.9029964142196443
Energy: 1.396457404936217
Energy: 1.9029964142196443
Energy: 1.3978032108660763
Energy: 1.8777169144460537
Energy: 1.5740404617243708
Energy: 1.8777169144460537
Energy: 1.5809549222097432
Energy: 1.7048457652196152
Energy: 1.522728840780768
Energy: 1.7048457652204576
Energy: 1.420701129589884
Energy: 1.7860736982647052
Energy: 1.5064213102539472
Energy: 1.7860736982655476
Energy: 1.5651804074345752
Energy: 1.6268093273719608
Energy: 1.520608506807487
Energy: 1.6268093273719608
Energy: 1.5078627694534699
Energy: 1.7752046147437228
Energy: 1.419606415144175
Energy: 1.7752046147454075
Energy: 1.5441989531098068
Energy: 1.7797100105887174
Energy: 1.5873893481498613
Energy: 1.7797100105887174
Energy: 1.6714899406779153
Energy: 1.6374288611217467
Energy: 1.5242397775917587
Energy: 1.637428861122589
Energy: 1.401343973104923
Energy: 1.7749902513431535
Energy: 1.5303287679971085
Energy: 1.774990251342311
Energy: 1.5410842953317596
Energy: 1.6234990211838614
Energy: 1.5409955396036377
Energy: 1.6234990211838614
Energy: 1.5999843644150862
Energy: 1.7748647438789849
Energy: 1.635489933044693
Energy: 1.7748647438798273
Energy: 1.3959509469342368
Energy: 1.8874064707303424
Energy: 1.602258050109476
Energy: 1.8874064707303424
Energy: 1.510816572589459
Energy: 1.7249875638586367
Energy: 1.5909071344134262
Energy: 1.7249875638577943
Energy: 1.5255763424157935
Energy: 1.9221394688985718
Energy: 1.5076109069932033
Energy: 1.9221394688985718
Energy: 1.5204280482435943
Energy: 1.7238230486460755
Energy: 1.705768206471808
Energy: 1.7238230486443908
Energy: 1.5296692865778245
Energy: 1.7555535898172374
Energy: 1.420726245521395
Energy: 1.755553589816395
Energy: 1.5178435455452965
Energy: 1.7800361984689257
Energy: 1.6728431929992815
Energy: 1.7800361984689257
Energy: 1.6183340264071382
Energy: 1.8955153996072873
Energy: 1.5669600771785515
Energy: 1.8955153996064449
Energy: 1.4528570535841296
Energy: 1.7551406760474402
Energy: 1.525424305174994
Energy: 1.7551406760474402
Energy: 1.526195745501455
Energy: 1.6948667432645146
Energy: 1.71231182438997
Energy: 1.6948667432636724
Energy: 1.6298961488069625
Energy: 1.7751769394484442
Energy: 1.395923428771304
Energy: 1.7751769394476018
Energy: 1.5416127346324682
Energy: 1.7260719981729666
Energy: 1.726478431456177
Energy: 1.7260719981738089
Energy: 1.6397867516716906
Energy: 1.9028024459956931
Energy: 1.5861180359840903
Energy: 1.9028024459956931
Energy: 1.7485895857485354
Energy: 1.7752575600446143
Energy: 1.3972831910062364
Energy: 1.7752575600454565
Energy: 1.523183795037076
Energy: 1.6953486224754841
Energy: 1.7179375065008555
Energy: 1.6953486224754841
Energy: 1.5062831562861914
Energy: 1.7863872423593952
Energy: 1.5267497342616176
Energy: 1.7863872423593952
Energy: 1.6622685658768626
Energy: 1.8977115240600098
Energy: 1.565534878307018
Energy: 1.897711524060852
Energy: 1.4195043546032524
Energy: 1.7784870262116521
Energy: 1.6935002143308364
Energy: 1.7784870262116521

minimum gb energy = 1.395923428771304 eV
minimum distance =  2.20956555990666 Angstroms
sigma value = 53


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

Energy: 1.3813191234343407
Energy: 1.3810561040053364
Energy: 1.7238013276456883
Energy: 1.381056104003397
Energy: 1.6106217588502159
Energy: 1.5916843209351035
Energy: 1.55724550261992
Energy: 1.591684320933164
Energy: 1.3820203424963782
Energy: 1.3809301650970591
Energy: 1.6487711876635494
Energy: 1.3809301650970591
Energy: 1.3821296717371305
Energy: 1.3809275871143545
Energy: 1.461386342541842
Energy: 1.3809275871143545
Energy: 1.6105307093447183
Energy: 1.5916465449394857
Energy: 1.7665763333448157
Energy: 1.5916465449414248
Energy: 1.3813191234343407
Energy: 1.3810561040053364
Energy: 1.790420627467114
Energy: 1.381056104003397
Energy: 1.6106217588502159
Energy: 1.591684320933164
Energy: 1.5945297324904109
Energy: 1.591684320933164
Energy: 1.3820203424963782
Energy: 1.3809301650970591
Energy: 1.648771158941049
Energy: 1.3809301650951198
Energy: 1.3821296717371305
Energy: 1.3809275871143545
Energy: 1.5347153855269566
Energy: 1.3809275871143545
Energy: 1.6105307093447183
Energy: 1.5916465449394857
Energy: 1.535104621474202
Energy: 1.5916465449394857
Energy: 1.3813191234343407
Energy: 1.3810561040053364
Energy: 1.790361020944018
Energy: 1.3810561040053364
Energy: 1.6106217588502159
Energy: 1.591684320933164
Energy: 1.5350494458468535
Energy: 1.591684320933164
Energy: 1.3820203424963782
Energy: 1.3809301650970591
Energy: 1.6487711535676157
Energy: 1.3809301650951198

minimum gb energy = 1.3809275871143545 eV
minimum distance =  2.30010893938067 Angstroms
sigma value = 9


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

Energy: 1.5244329498638782
Energy: 1.8750434169783754
Energy: 1.8472444938183623
Energy: 1.8750434169783754
Energy: 1.7624919794613727
Energy: 1.5423318138480626
Energy: 1.501372606423535
Energy: 1.5423318138473447
Energy: 1.458335244266636
Energy: 1.8518794860022947
Energy: 1.482035496213039
Energy: 1.8518794860022947
Energy: 1.573775078463691
Energy: 1.8874100924625736
Energy: 1.4736109842739915
Energy: 1.8874100924625736
Energy: 1.6213966688311952
Energy: 1.5640078826107384
Energy: 1.48372041520932
Energy: 1.5640078826114565
Energy: 1.5060806912235514
Energy: 1.5057272943419553
Energy: 1.5599896244329776
Energy: 1.5057272943419553
Energy: 1.8998356549647397
Energy: 1.5569405770201845
Energy: 1.5017080691051814
Energy: 1.5569405770194666
Energy: 1.4748910540287505
Energy: 1.8904462488687215
Energy: 1.6655481759439381
Energy: 1.8904462488687215
Energy: 1.461598690212819
Energy: 1.9355133789534191
Energy: 1.5058034792598407
Energy: 1.9355133789534191
Energy: 1.4594891319078707
Energy: 1.5383354096937811
Energy: 1.5028153042217427
Energy: 1.5383354096937811
Energy: 1.4771516648715333
Energy: 1.9135362208810704
Energy: 1.7744690236802925
Energy: 1.9135362208810704
Energy: 1.7618571480407905
Energy: 2.0138050513039674
Energy: 1.5805386636211385
Energy: 2.013805051304685
Energy: 1.4612809029741154
Energy: 1.9142559251159392
Energy: 1.763409722621131
Energy: 1.9142559251166567
Energy: 1.5794759904461417
Energy: 1.914024195262726
Energy: 1.5308351128226967
Energy: 1.914024195262726
Energy: 1.50490020468709
Energy: 1.711171252452423
Energy: 1.6959100210324178
Energy: 1.711171252452423
Energy: 1.4650552402441208
Energy: 1.9039852149911172
Energy: 1.5656331270784984
Energy: 1.9039852149911172
Energy: 1.61273495884365
Energy: 1.7110541913923374
Energy: 1.5047632028992237
Energy: 1.7110541913923374
Energy: 1.4804740200365123
Energy: 1.5568345605501057
Energy: 1.726861419385234
Energy: 1.5568345605508236
Energy: 1.6963210504884967
Energy: 1.7482725785016455
Energy: 1.508534649626503
Energy: 1.7482725785016455
Energy: 1.4898807186461407
Energy: 1.5597753018263338
Energy: 1.5781501435711127
Energy: 1.5597753018263338
Energy: 1.5813149710288703
Energy: 1.8855875639214554
Energy: 1.5757050700068247
Energy: 1.8855875639214554
Energy: 1.635963676749332
Energy: 1.6111937266569287
Energy: 1.459158548965686
Energy: 1.6111937266576462
Energy: 1.516240402819602
Energy: 1.7452236567788002
Energy: 1.461576579055403
Energy: 1.7452236567788002
Energy: 1.7991305720785775
Energy: 1.9139536052432555
Energy: 1.4745518950390073
Energy: 1.9139536052439732
Energy: 1.5016441812545516
Energy: 2.063445221959867
Energy: 1.8304056722088735
Energy: 2.063445221959867
Energy: 1.510781387981967
Energy: 1.7255963190945283
Energy: 1.4590249241913633
Energy: 1.7255963190945283
Energy: 1.764061835572397
Energy: 1.7139050930852426
Energy: 1.5724895154507905
Energy: 1.713905093084525
Energy: 1.5233674965474255
Energy: 1.8873124357102462
Energy: 1.573441678959421
Energy: 1.8873124357102462
Energy: 1.5354828630188098
Energy: 1.7255824324853204
Energy: 1.4581915737824935
Energy: 1.7255824324846352
Energy: 1.5015213302461898
Energy: 2.0857818666090644
Energy: 1.8326409913187827
Energy: 2.0857818666090644
Energy: 1.8204523230696794
Energy: 1.9139151030954145
Energy: 1.4738132372953467
Energy: 1.9139151030954145
Energy: 1.5050878121928861
Energy: 1.5583073059160553
Energy: 1.4593999992458009
Energy: 1.5583073059153376
Energy: 1.50516782360491
Energy: 1.7015069172917607
Energy: 1.4583106212577426
Energy: 1.701506917291043
Energy: 1.5734674304146399
Energy: 1.887047743580708
Energy: 1.573547918448195
Energy: 1.887047743580708
Energy: 1.4774896496237315
Energy: 1.7919501177606205
Energy: 1.9019192186335796
Energy: 1.791950117759185

minimum gb energy = 1.4581915737824935 eV
minimum distance =  2.29610911381951 Angstroms
sigma value = 73


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

Energy: 1.537532721797544
Energy: 1.5367896308375817
Energy: 1.8497956174805568
Energy: 1.5367896308375817
Energy: 1.5502555949070003
Energy: 1.6393059317487086
Energy: 1.5359646796515554
Energy: 1.6393059317498475
Energy: 1.5030662024087207
Energy: 1.8329672537423525
Energy: 1.4999157059507489
Energy: 1.8329672537423525
Energy: 1.463834250427418
Energy: 1.6395058282204333
Energy: 1.5016219194034224
Energy: 1.6395058282204333
Energy: 1.4613002038056173
Energy: 1.6123616048170821
Energy: 1.495514780809512
Energy: 1.6123616048170821
Energy: 1.5054382950483138
Energy: 1.832632123308297
Energy: 1.6803589636961482
Energy: 1.832632123308297
Energy: 1.87104774618163
Energy: 1.790155445918024
Energy: 1.5367331659121115
Energy: 1.790155445918024
Energy: 1.4636537171025719
Energy: 1.8327870373666764
Energy: 1.8602169788829037
Energy: 1.8327870373666764
Energy: 1.7134648808869786
Energy: 1.5372190703020028
Energy: 1.53668623766674
Energy: 1.5372190703020028
Energy: 1.534749987692935
Energy: 1.574969500986906
Energy: 1.5352845781434916
Energy: 1.574969500986906
Energy: 1.460935733049496
Energy: 1.8321967966216133
Energy: 1.7140783423686414
Energy: 1.8321967966216133
Energy: 1.7019743644376832
Energy: 1.6206758934698258
Energy: 1.4637160840905166
Energy: 1.6206758934698258
Energy: 1.5018008927783602
Energy: 1.6031127718648686
Energy: 1.6508813353269225
Energy: 1.6031127718648686
Energy: 1.8734478067768163
Energy: 1.8066583148416038
Energy: 1.5054124731833136
Energy: 1.8066583148416038
Energy: 1.5061391123655088
Energy: 1.5832628193919656
Energy: 1.6567475564262093
Energy: 1.5832628193919656
Energy: 1.7129263325952662
Energy: 1.8321608021519782
Energy: 1.4638733211037447
Energy: 1.8321608021519782
Energy: 1.536526780743601
Energy: 1.8142308407824348
Energy: 1.502981851611996
Energy: 1.8142308407824348
Energy: 1.5367601289851247
Energy: 1.8327485357445497
Energy: 1.534871251829224
Energy: 1.8327485357445497
Energy: 1.709541878462855
Energy: 1.8324405292115309
Energy: 1.4609200122960608
Energy: 1.8324405292115309
Energy: 1.535418786542716
Energy: 1.583223278105254
Energy: 1.8716422053692614
Energy: 1.583223278104141
Energy: 1.9035198383535743
Energy: 1.840860792513184
Energy: 1.5028133930272949
Energy: 1.840860792513184
Energy: 1.5354885805762648
Energy: 1.6099929080539166
Energy: 1.6523684302817674
Energy: 1.6099929080539166

minimum gb energy = 1.4609200122960608 eV
minimum distance =  2.26967419826748 Angstroms
sigma value = 7


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

Energy: 1.5772531543909014
Energy: 1.577314454373542
Energy: 1.8812270279309575
Energy: 1.5773144543719317
Energy: 1.761291255592476
Energy: 1.8132427557770066
Energy: 1.539991719309364
Energy: 1.813242755778617
Energy: 1.5078993713395836
Energy: 1.8177358449153314
Energy: 1.5368452830144599
Energy: 1.817735844914526
Energy: 1.498662065016583
Energy: 1.646824093550735
Energy: 1.549225331006137
Energy: 1.6468240935515401
Energy: 1.5198503587233245
Energy: 1.6057603936604083
Energy: 1.5403079960985815
Energy: 1.6057603936612137
Energy: 1.5118968088587494
Energy: 1.790787451270566
Energy: 1.7621377805560232
Energy: 1.790787451270566
Energy: 1.7206952891363572
Energy: 1.8549909028500873
Energy: 1.540765289252674
Energy: 1.854990902852503
Energy: 1.511564564453577
Energy: 1.577826834069459
Energy: 1.8736483444680003
Energy: 1.5778268340702275
Energy: 1.6569860360893738
Energy: 1.797558387351678
Energy: 1.5329112005583219
Energy: 1.797558387351678
Energy: 1.519715943205979
Energy: 1.6257519267833873
Energy: 1.7003855455237826
Energy: 1.625751926782582
Energy: 1.4948633494191372
Energy: 1.8170617692908513
Energy: 1.5147824612812113
Energy: 1.8170617692892406
Energy: 1.569137413253346
Energy: 1.6063558402772913
Energy: 1.510955612775561
Energy: 1.6063558402764861
Energy: 1.5766237158303575
Energy: 1.7960758840120994
Energy: 1.514553972160773
Energy: 1.7960758840137099
Energy: 1.5373850485897975
Energy: 1.7743848571390417
Energy: 1.5106499455907427
Energy: 1.7743848571390417
Energy: 1.5188088516919511
Energy: 1.7929948961415947
Energy: 1.83353325734108
Energy: 1.7929948961423998
Energy: 1.7384704820102075
Energy: 1.5628936154133548
Energy: 1.5288206060602136
Energy: 1.5628936154125495
Energy: 1.5283395512017002
Energy: 1.621086866450068
Energy: 1.6893923459550952
Energy: 1.621086866450873
Energy: 1.5427504622285488
Energy: 1.7715916401926415
Energy: 1.511099966658165
Energy: 1.7715916401950573
Energy: 1.5073929705504991
Energy: 1.817949289208768
Energy: 1.514998292664314
Energy: 1.8179492892071574
Energy: 1.5196215761566185
Energy: 1.6063865182726904
Energy: 1.5115843389901842
Energy: 1.606386518271885
Energy: 1.4950240150017147
Energy: 2.0019451395399552
Energy: 1.532480172891518
Energy: 2.001945139541566
Energy: 1.5259867712319313
Energy: 1.814205757857942
Energy: 1.87590231054392
Energy: 1.8142057578571371
Energy: 1.8282686453168362
Energy: 1.7849522310374855
Energy: 1.523279545528178
Energy: 1.7849522310390962
Energy: 1.581636838561955
Energy: 1.5772917000658069
Energy: 1.67980763154871
Energy: 1.5772917000673807
Energy: 1.5617400416736618
Energy: 1.606290447756328
Energy: 1.55426992314482
Energy: 1.606290447756328
Energy: 1.4985899712628126
Energy: 1.8167691421895935
Energy: 1.5134827573733074
Energy: 1.816769142191204
Energy: 1.6959511160543572
Energy: 1.650360412496719
Energy: 1.5552666431703017
Energy: 1.6503604124983295
Energy: 1.4983542855241174
Energy: 1.6216895646807399
Energy: 1.5491603231398463
Energy: 1.6216895646815452
Energy: 1.507520796969543
Energy: 1.5773570382360014
Energy: 1.6809891199071874
Energy: 1.5773570382360014
Energy: 1.815102359134263
Energy: 1.565200999546593
Energy: 1.5385017509052135
Energy: 1.565200999547398
Energy: 1.507494341783295
Energy: 1.5774125958219223
Energy: 1.822187484682147
Energy: 1.5774125958203118

minimum gb energy = 1.4948633494191372 eV
minimum distance =  2.25889591009137 Angstroms
sigma value = 29


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

Energy: 1.5775218089532481
Energy: 1.5228388462780453
Energy: 1.966071090597717
Energy: 1.5228388462780453
Energy: 1.4855944186389474
Energy: 1.5606234877680816
Energy: 1.5755692958346457
Energy: 1.5606235549072713
Energy: 1.4403364897950925
Energy: 1.617760569749661
Energy: 1.5273863661637805
Energy: 1.617760569749661
Energy: 1.5755975296751452
Energy: 1.5780367887506923
Energy: 1.5571759002621242
Energy: 1.5780367887509725
Energy: 1.5780412287117678
Energy: 1.5786515237363767
Energy: 1.7135831518024347
Energy: 1.5786515237360965
Energy: 1.440068482716644
Energy: 1.618539187195415
Energy: 1.4400787203528584
Energy: 1.6185391871956643
Energy: 1.4897962625860808
Energy: 1.578613330771909
Energy: 1.5780214929455276
Energy: 1.5786133307721895
Energy: 1.5571241103238076
Energy: 1.578523224603367
Energy: 1.575606086726235
Energy: 1.5785232245416885
Energy: 1.5273848051517538
Energy: 1.6176567256253067
Energy: 1.440301442659305
Energy: 1.6176567256250263

minimum gb energy = 1.440068482716644 eV
minimum distance =  2.28711968609799 Angstroms
sigma value = 5


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

Energy: 1.4920542292290229
Energy: 1.4770205051444516
Energy: 1.7841571087350208
Energy: 1.4770205051452125
Energy: 1.6565981050139147
Energy: 1.4619859045514993
Energy: 1.4447748303988628
Energy: 1.461985904553781
Energy: 1.4283939700745607
Energy: 1.4625272245006087
Energy: 1.7415568678928675
Energy: 1.4625272245013692
Energy: 1.429260708922396
Energy: 1.4508503240374038
Energy: 1.4699073167763184
Energy: 1.4508503240389252
Energy: 1.4560780571344891
Energy: 1.5269624084240931
Energy: 1.6832294982407416
Energy: 1.5269624084256141
Energy: 1.4897590767800255
Energy: 1.4763694076036102
Energy: 1.4411873440832579
Energy: 1.4763694076028497
Energy: 1.446443692102354
Energy: 1.5342576708263955
Energy: 1.438059075170369
Energy: 1.5342576708271558
Energy: 1.448355957021368
Energy: 1.51893096120094
Energy: 1.4254984522046283
Energy: 1.51893096120094
Energy: 1.4530776636264087
Energy: 1.633486875627383
Energy: 1.4800622043093823
Energy: 1.6334868756289045
Energy: 1.4579957752501516
Energy: 1.5227412706758188
Energy: 1.4417665573526268
Energy: 1.522741270675058
Energy: 1.4152281730285288
Energy: 1.709841826834758
Energy: 1.4318870395231627
Energy: 1.709841826834758
Energy: 1.4551911340765378
Energy: 1.7394278812201498
Energy: 1.6052952296298109
Energy: 1.739427881219389
Energy: 1.5020295863057567
Energy: 1.4754146333046791
Energy: 1.481963883263816
Energy: 1.47541463330544
Energy: 1.4530660310518126
Energy: 1.5920218429619573
Energy: 1.7817227641743427
Energy: 1.5920218429627178
Energy: 1.8168510786800336
Energy: 1.450553985810501
Energy: 1.4417875943937677
Energy: 1.4505539858097405
Energy: 1.4674678047480667
Energy: 1.4619282319859594
Energy: 1.6794665619480236
Energy: 1.4619282319859594
Energy: 1.6826228868292306
Energy: 1.4559533064016645
Energy: 1.4287687760970618
Energy: 1.4559533064016645
Energy: 1.4550613637450391
Energy: 1.4750922056487836
Energy: 1.552922326009499
Energy: 1.4750922056495441
Energy: 1.4534338353634426
Energy: 1.53565575501907
Energy: 1.4423226442068195
Energy: 1.5356557550183092
Energy: 1.4198871938313458
Energy: 1.5796920714010487
Energy: 1.4880811282964814
Energy: 1.5796920714018095
Energy: 1.4119809071555565
Energy: 1.629171886717323
Energy: 1.4596355044264833
Energy: 1.6291718867158016
Energy: 1.4446872698284536
Energy: 1.528307723812792
Energy: 1.4522286269587117
Energy: 1.5283077238120313
Energy: 1.433764605777174
Energy: 1.6851589113088605
Energy: 1.4201287879508924
Energy: 1.6851589113088605
Energy: 1.6096137114608158
Energy: 1.5255106820179736
Energy: 1.4200926528556517
Energy: 1.5255106820172128
Energy: 1.6030738483857925
Energy: 1.64106529066559
Energy: 1.4173361215537763
Energy: 1.6410652906648295
Energy: 1.4733141755960877
Energy: 1.5911922541939594
Energy: 1.465780293412259
Energy: 1.5911922541924381
Energy: 1.4507704996863526
Energy: 1.4443131901897281
Energy: 1.5714370383547334
Energy: 1.4443131901920103
Energy: 1.4776109163299604
Energy: 1.4508242747221758
Energy: 1.465990302220703
Energy: 1.4508242747138083
Energy: 1.4274940240997254
Energy: 1.458117324355773
Energy: 1.8480837872482234
Energy: 1.4581173243565335
Energy: 1.7435590168631763
Energy: 1.4749822370733254
Energy: 1.4599460383672116
Energy: 1.474982237072565
Energy: 1.4419208827978893
Energy: 1.467269320787955
Energy: 1.5937717582250692
Energy: 1.467269320787955
Energy: 1.6985431633361117
Energy: 1.7565164127341255
Energy: 1.4383553531168976
Energy: 1.756516412735647
Energy: 1.4705590082769078
Energy: 1.4514660650323676
Energy: 1.407306687577619
Energy: 1.451466065031607

minimum gb energy = 1.407306687577619 eV
minimum distance =  2.27437827801555 Angstroms
sigma value = 1


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

Energy: 1.4035748285949308
Energy: 1.4033301491526673
Energy: 1.8622413508882942
Energy: 1.4033301491526673
Energy: 1.7617289477373892
Energy: 1.3730394073533143
Energy: 1.3917316107492146
Energy: 1.3730394073543661
Energy: 1.3517509430456194
Energy: 1.4039472804288178
Energy: 1.9532880533688415
Energy: 1.4039472804288178
Energy: 1.3723951991789036
Energy: 1.3730099045481137
Energy: 1.379011633841837
Energy: 1.373009904547062
Energy: 1.3473228964336748
Energy: 1.732705191759196
Energy: 1.6855401393959888
Energy: 1.732705191759196
Energy: 1.3506937857399501
Energy: 1.6995646119740744
Energy: 1.3803170556173792
Energy: 1.6995646119751262
Energy: 1.35067739014576
Energy: 1.4921759352177664
Energy: 1.4087181783367289
Energy: 1.4921759352177664
Energy: 1.3506932561498652
Energy: 1.4618788043326816
Energy: 1.4189249744427463
Energy: 1.4618788043326816
Energy: 1.4029007922020835
Energy: 1.4617636466290256
Energy: 1.4392794089487755
Energy: 1.461763646627974
Energy: 1.402971537750362
Energy: 1.4634746047155176
Energy: 1.4395722151261703
Energy: 1.4634746047155176
Energy: 1.3505841053259278
Energy: 1.4650166241184825
Energy: 1.4281319188252477
Energy: 1.4650166241184825
Energy: 1.350622472872942
Energy: 1.4920607223838012
Energy: 1.4217391303237588
Energy: 1.492060722384853
Energy: 1.350921738171196
Energy: 1.699373766391161
Energy: 1.380083982932529
Energy: 1.6993737663922126
Energy: 1.3472199779654197
Energy: 1.7327449693310322
Energy: 1.6032127240496807
Energy: 1.7327449693310322
Energy: 1.3727758922948996
Energy: 1.3730705584401455
Energy: 1.3804521429539356
Energy: 1.3730705584401455
Energy: 1.3517868434618003
Energy: 1.403859324738016
Energy: 1.7972424941162513
Energy: 1.403859324739068
Energy: 1.761657706069994
Energy: 1.373174425583348
Energy: 1.3917141701356992
Energy: 1.3731744255843998
Energy: 1.4035748285949308
Energy: 1.4033301491516157
Energy: 1.4587596963218525
Energy: 1.4033301491526673
Energy: 1.7617289477373892
Energy: 1.3730394073543661
Energy: 1.3917316107492146
Energy: 1.3730394073533143
Energy: 1.3517509430456194
Energy: 1.4039472804288178
Energy: 1.9532880533678134
Energy: 1.4039472804288178
Energy: 1.3723951991778518
Energy: 1.3730099045481137
Energy: 1.379011633841837
Energy: 1.373009904547062
Energy: 1.3473228964336748
Energy: 1.7327051917602478
Energy: 1.6855401393959888
Energy: 1.732705191759196
Energy: 1.3506937857399501
Energy: 1.6995646119761778
Energy: 1.3803170556173792
Energy: 1.6995646119751262
Energy: 1.35067739014576
Energy: 1.4921759352177664
Energy: 1.4087181783367289
Energy: 1.4921759352177664

minimum gb energy = 1.3472199779654197 eV
minimum distance =  2.26538121358437 Angstroms
sigma value = 17


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

Energy: 1.3662513296027206
Energy: 1.3668100857297343
Energy: 1.8421460928914601
Energy: 1.3668100857303844
Energy: 1.823928757443842
Energy: 1.3602402867657317
Energy: 1.3433417217717691
Energy: 1.3602402867644314
Energy: 1.340945955255633
Energy: 1.3521995415287895
Energy: 1.720880153798181
Energy: 1.3521995415261892
Energy: 1.410057639973383
Energy: 1.3351696515869846
Energy: 1.3390486334087641
Energy: 1.3351696515863345
Energy: 1.3551478399674457
Energy: 1.3685628212174805
Energy: 1.7115356494726555
Energy: 1.3685628212161804
Energy: 1.3503743226067944
Energy: 1.3477598368552282
Energy: 1.3539372994594294
Energy: 1.347759836854578
Energy: 1.3594762010090207
Energy: 1.596083484927906
Energy: 1.3784647623148454
Energy: 1.596083484927906
Energy: 1.3426780094602493
Energy: 1.5854625571935077
Energy: 1.3510127181291112
Energy: 1.585462557194808
Energy: 1.3628580112640554
Energy: 1.4015414073334462
Energy: 1.4116707666309414
Energy: 1.4015414073321462
Energy: 1.3884671790566547
Energy: 1.4016495764074435
Energy: 1.349259395397608
Energy: 1.4016495764061434
Energy: 1.3389852320869249
Energy: 1.378450847288581
Energy: 1.3781672998730286
Energy: 1.3784508472879309
Energy: 1.3470643745695812
Energy: 1.4027870598577603
Energy: 1.3541488473583123
Energy: 1.4027870598584105
Energy: 1.347499284214521
Energy: 1.5811563746925195
Energy: 1.3627672919570906
Energy: 1.5811563746925195
Energy: 1.3535725160982643
Energy: 1.6155447375764425
Energy: 1.3939523609887536
Energy: 1.6155447375764425
Energy: 1.3782200716991788
Energy: 1.3399950580497508
Energy: 1.374989548818607
Energy: 1.339995058050401
Energy: 1.344735608697698
Energy: 1.3529192471277613
Energy: 1.7089954837922379
Energy: 1.3529192471277613
Energy: 1.386595558938289
Energy: 1.3419500283466799
Energy: 1.3427551958848347
Energy: 1.3419500283473298
Energy: 1.3349411462884835
Energy: 1.366848284613188
Energy: 1.3665687089612986
Energy: 1.3668482846138381
Energy: 1.5592401545548842
Energy: 1.347251425672338
Energy: 1.3438727341033903
Energy: 1.3472514256710377
Energy: 1.349522464564278
Energy: 1.3526167695043583
Energy: 1.6167962869874246
Energy: 1.3526167695043583
Energy: 1.8611558210421968
Energy: 1.3498451522789257
Energy: 1.3581982878542993
Energy: 1.349845152280876
Energy: 1.358895623622585
Energy: 1.36684930541639
Energy: 1.8620702773240179
Energy: 1.3668493054170403
Energy: 1.540240453481162
Energy: 1.348526426563557
Energy: 1.351150367769246
Energy: 1.3485264265642072
Energy: 1.3427490544846057
Energy: 1.350820090962081
Energy: 1.561972362227094
Energy: 1.350820090962731
Energy: 1.3738466465865788
Energy: 1.3670795488153233
Energy: 1.3364558247309988
Energy: 1.3670795488159733
Energy: 1.3651595703145782
Energy: 1.4234921495737298
Energy: 1.3840025071925979
Energy: 1.4234921495737298
Energy: 1.5437788884057377
Energy: 1.3949176195373012
Energy: 1.3467743551073248
Energy: 1.3949176195373012
Energy: 1.3774393487291217
Energy: 1.5739793505537838
Energy: 1.401964609638178
Energy: 1.5739793505531336
Energy: 1.3657950828415126
Energy: 1.4203484181994512
Energy: 1.394850639710861
Energy: 1.4203484181981514
Energy: 1.3651797553201879
Energy: 1.5811949076704144
Energy: 1.39982613972634
Energy: 1.5811949076704144
Energy: 1.3517586590977735
Energy: 1.4208232213285488
Energy: 1.3343855226257717
Energy: 1.420823221329849
Energy: 1.3803909648959802
Energy: 1.3789470429773347
Energy: 1.3379194411465647
Energy: 1.378947042979285
Energy: 1.346568781565853
Energy: 1.4028464964884522
Energy: 1.5634140450037264
Energy: 1.4028464964897525
Energy: 1.4050165830574202
Energy: 1.5925952225172773
Energy: 1.355275981704406
Energy: 1.5925952225172773
Energy: 1.349858540613892
Energy: 1.3673246206894807
Energy: 1.377181757735243
Energy: 1.3673246206894807
Energy: 1.4038587771038429
Energy: 1.5961882959538745
Energy: 1.3609226469377564
Energy: 1.5961882959545248
Energy: 1.3512298850978839
Energy: 1.347773539535773
Energy: 1.3516156224248295
Energy: 1.3477735395422739
Energy: 1.7059851222317706
Energy: 1.3684160928709437
Energy: 1.3448386351834805
Energy: 1.3684160928709437

minimum gb energy = 1.3343855226257717 eV
minimum distance =  2.2588826868234 Angstroms
sigma value = 89


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

Energy: 1.535557610181207
Energy: 1.4949621659569492
Energy: 1.5928756331624818
Energy: 1.4949621659569492
Energy: 1.6484703076441511
Energy: 1.2433806810863084
Energy: 1.241411144569797
Energy: 1.2433806810863084
Energy: 1.2501122395660593
Energy: 1.693263136260801
Energy: 1.8491992324695217
Energy: 1.693263136260801
Energy: 1.2944763434105695
Energy: 1.283544101525447
Energy: 1.249021094671502
Energy: 1.283544101525447
Energy: 1.2187492760469714
Energy: 1.207503343224154
Energy: 1.6944776665003047
Energy: 1.207503343224154
Energy: 1.2424097380003303
Energy: 1.20788856338693
Energy: 1.2102063697425995
Energy: 1.20788856338693
Energy: 1.2440427288082616
Energy: 1.3669693546283823
Energy: 1.2072114970614352
Energy: 1.3669693546283823
Energy: 1.2227552214593453
Energy: 1.69271518798932
Energy: 1.2489745329554311
Energy: 1.69271518798932
Energy: 1.2486200976748285
Energy: 1.2857368909242632
Energy: 1.5791618006857608
Energy: 1.2857368909225626
Energy: 1.2830776808025792
Energy: 1.2075692011000139
Energy: 1.2187725720474685
Energy: 1.2075692010642947
Energy: 1.5302737120861933
Energy: 1.2400617258689235
Energy: 1.2655411756972499
Energy: 1.2400617258689235
Energy: 1.5301667989885106
Energy: 1.3640781872699799
Energy: 1.2425200150394757
Energy: 1.3640781872699799
Energy: 1.2485812461384862
Energy: 1.208801928544257
Energy: 1.2419242851696004
Energy: 1.208801928544257
Energy: 1.2488053876546101
Energy: 1.283581305713124
Energy: 1.2486049710572888
Energy: 1.2835813057114234
Energy: 1.2660494451993924
Energy: 1.2073839438738418
Energy: 1.2722982343498275
Energy: 1.2073839438738418

minimum gb energy = 1.2072114970614352 eV
minimum distance =  2.27647337406854 Angstroms
sigma value = 13


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

Energy: 1.1579299900754307
Energy: 1.5518477090742286
Energy: 1.551634756725181
Energy: 1.551847709071377
Energy: 1.7688883977382883
Energy: 1.574424016128457
Energy: 1.1238624628107643
Energy: 1.5744240161256051
Energy: 1.132740805337607
Energy: 1.3468537265871714
Energy: 1.409493557896557
Energy: 1.3468537265558032
Energy: 1.4067357080495637
Energy: 1.5742735736796822
Energy: 1.121022605135396
Energy: 1.5742735736796822
Energy: 1.1377922641785259
Energy: 1.379695942484896
Energy: 1.5775051957121335
Energy: 1.379695942484896
Energy: 1.337270843339926
Energy: 1.3666479045195765
Energy: 1.1368232140448944
Energy: 1.3666479045217153
Energy: 1.138144323052309
Energy: 1.5819604316366815
Energy: 1.5394291931070079
Energy: 1.5819604316366815
Energy: 1.1468689904597944
Energy: 1.6449931724812632
Energy: 1.136837694159774
Energy: 1.6449931724805507
Energy: 1.1377387199984448
Energy: 1.5794936541902393
Energy: 1.5447405398832932
Energy: 1.579493654191665
Energy: 1.4195387892471343
Energy: 1.4034639896700871
Energy: 1.1210962006167489
Energy: 1.4034639896693741
Energy: 1.13779442939503
Energy: 1.3989655643605976
Energy: 1.1400501071864944
Energy: 1.3989655643634493
Energy: 1.5851017542505126
Energy: 1.403360621865817
Energy: 1.127064879487166
Energy: 1.4033606218651042
Energy: 1.1683208313918703
Energy: 1.3581590193480264
Energy: 1.1277114803184842
Energy: 1.3581590193487394
Energy: 1.6053589804653223
Energy: 1.3996711041991166
Energy: 1.1270164221578443
Energy: 1.3996711041969778
Energy: 1.1376943095864547
Energy: 1.348497676756375
Energy: 1.1590948194702009
Energy: 1.3484977060121994
Energy: 1.1545468983784957
Energy: 1.4002151966224343
Energy: 1.1298394768170146
Energy: 1.4002151966231473
Energy: 1.1456782962313143
Energy: 1.7158534672505588
Energy: 1.1245248017881364
Energy: 1.7158534672505588
Energy: 1.131737615348394
Energy: 1.5760616052449663
Energy: 1.1469831310039709
Energy: 1.5760616052492438
Energy: 1.1444191894268498
Energy: 1.57745743258758
Energy: 1.147077477783616
Energy: 1.5774574325882929
Energy: 1.1440904759260853
Energy: 1.576941163134336
Energy: 1.1470626375085735
Energy: 1.57694116313291
Energy: 1.1318153709107113
Energy: 1.5772506714949326
Energy: 1.146957933614218
Energy: 1.5772506714963588
Energy: 1.145739184867192
Energy: 1.715845349116396
Energy: 1.1245884895829743
Energy: 1.715845349116396
Energy: 1.1546952139878384
Energy: 1.3995066235550278
Energy: 1.1298402521172006
Energy: 1.3995066236020801
Energy: 1.1377011492977631
Energy: 1.3483216444619197
Energy: 1.145163854258293
Energy: 1.3483216444612065
Energy: 1.6057474910833254
Energy: 1.399999564229486
Energy: 1.1275154686076827
Energy: 1.399999564231625
Energy: 1.168335221961457
Energy: 1.3581945453407562
Energy: 1.1440761058891418
Energy: 1.3581945453407562
Energy: 1.5851937489221408
Energy: 1.4039602833077316
Energy: 1.127114145660821
Energy: 1.4039602833497935
Energy: 1.1377931820478815
Energy: 1.3995048502393483
Energy: 1.1389398969878533
Energy: 1.3995048502372096
Energy: 1.4191490077370081
Energy: 1.403132998678451
Energy: 1.1210762192556958
Energy: 1.40313299868059
Energy: 1.1378766509945266
Energy: 1.5797201744830873
Energy: 1.5447693262450983
Energy: 1.5797201744838003
Energy: 1.1472112354360233
Energy: 1.3712379666950354
Energy: 1.136946850755752
Energy: 1.3712379675865054
Energy: 1.1381343445205598
Energy: 1.5815248650607523
Energy: 1.7483005994249825
Energy: 1.5815248650621778
Energy: 1.3373510725163769
Energy: 1.3670868968380034
Energy: 1.1369101032340803
Energy: 1.3670868968372902
Energy: 1.1377910364015182
Energy: 1.3797354412260419
Energy: 1.5813081694432005
Energy: 1.3797354409723084
Energy: 1.407494674119305
Energy: 1.5748922779542702
Energy: 1.1209747049880334
Energy: 1.5748922779542702

minimum gb energy = 1.1209747049880334 eV
minimum distance =  2.16054750980452 Angstroms
sigma value = 37


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

Energy: 1.0532078507348772
Energy: 1.0526268076761103
Energy: 1.025424615394985
Energy: 1.0526268076761103
Energy: 1.7528507380169833
Energy: 1.3984178476775464
Energy: 1.0139094925118712
Energy: 1.3984178476787732
Energy: 1.0231647663822607
Energy: 1.4351851959470303
Energy: 1.4183031067000944
Energy: 1.4351851959470303
Energy: 1.0122304513810947
Energy: 1.3984666190988304
Energy: 1.013936473067191
Energy: 1.3984666190988304
Energy: 1.0127078776787324
Energy: 1.3978826088875822
Energy: 1.8961105746721303
Energy: 1.3978826088875822
Energy: 1.014635610460761
Energy: 1.3984341941421068
Energy: 1.0090209529326235
Energy: 1.3984341941421068
Energy: 1.039963274236216
Energy: 1.7991795345480466
Energy: 1.387779542503729
Energy: 1.7991795345480466
Energy: 1.0123697880895943
Energy: 1.0531670912259157
Energy: 1.055719598412257
Energy: 1.0531670912246889
Energy: 1.0128397538846605
Energy: 1.3982257772078968
Energy: 1.3879352249166912
Energy: 1.3982257772078968
Energy: 1.5221133127746893
Energy: 1.422766080980478
Energy: 1.0091662919892763
Energy: 1.4227660809792515
Energy: 1.0400158751182111
Energy: 1.7973643017580048
Energy: 1.0124664476016532
Energy: 1.7973643017580048
Energy: 1.4817905743983597
Energy: 1.3982154535154359
Energy: 1.0140215664071899
Energy: 1.3982154535166624
Energy: 1.006188142807723
Energy: 1.3993697648002612
Energy: 1.0207362374816549
Energy: 1.3993697648002612
Energy: 1.3878601946588314
Energy: 1.7961198775824387
Energy: 1.0122863090208716
Energy: 1.7961198775824387
Energy: 1.052453883247257
Energy: 1.0947742026618985
Energy: 1.0123346982674715
Energy: 1.0947742026618985
Energy: 1.0526678979656978
Energy: 1.3986762654655427
Energy: 1.0142047417921778
Energy: 1.3986762654655427
Energy: 1.006127011182273
Energy: 1.730534337034413
Energy: 1.0366164698573685
Energy: 1.730534337034413
Energy: 1.0062491596289853
Energy: 1.7962096255643314
Energy: 1.012381726580496
Energy: 1.7962096255643314
Energy: 1.0139904356306768
Energy: 1.3998208810720147
Energy: 1.0064931515982503
Energy: 1.3998208810720147
Energy: 1.0123407162962035
Energy: 1.3985227679879564
Energy: 1.0060918649701396
Energy: 1.3985227679879564

minimum gb energy = 1.0060918649701396 eV
minimum distance =  2.19890956017213 Angstroms
sigma value = 25


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

Energy: 0.9389173705645164
Energy: 1.4487690277592842
Energy: 1.5940935712028819
Energy: 1.4487690277583267
Energy: 1.7390294966436173
Energy: 1.46803926882086
Energy: 0.8969687814399488
Energy: 1.46803926882086
Energy: 0.8929023636397952
Energy: 0.8928252529015143
Energy: 1.8265475671361895
Energy: 0.8928252529015143
Energy: 1.1769398187361846
Energy: 1.4681524790943048
Energy: 0.8969453366696416
Energy: 1.4681524790943048
Energy: 0.8988681277638881
Energy: 1.4682274558862
Energy: 1.7401561797477538
Energy: 1.4682274558852422
Energy: 0.8744290028513986
Energy: 1.4675560146845632
Energy: 0.8969220876865089
Energy: 1.4675560146845632
Energy: 0.8994066704357218
Energy: 1.175973274993556
Energy: 1.2777743468454899
Energy: 1.175973274993556
Energy: 1.1840284812689084
Energy: 1.221603337741425
Energy: 0.8944032586254238
Energy: 1.221603337741425
Energy: 0.8988706072056416
Energy: 1.467741502917617
Energy: 1.4397249976443072
Energy: 1.467741502917617
Energy: 0.8749015858962939
Energy: 1.4457090785895879
Energy: 0.9404693771658474
Energy: 1.4457090785895879
Energy: 0.8992802743202541
Energy: 1.1760438148068668
Energy: 1.513250346150567
Energy: 1.1760438148068668
Energy: 1.2918741782826526
Energy: 1.5508992656533382
Energy: 0.8946107330778468
Energy: 1.5508992656533382
Energy: 0.8989093338849575
Energy: 1.4677435814910098
Energy: 1.1763409999478591
Energy: 1.4677435814919675
Energy: 1.2749705685804016
Energy: 1.5084939575216587
Energy: 0.9000317390128009
Energy: 1.5084939575207008
Energy: 0.8995140029499465
Energy: 1.1757802674342022
Energy: 0.8744375613002897
Energy: 1.1757802674332443
Energy: 1.289026904616001
Energy: 1.5512375181781486
Energy: 0.8977043995778134
Energy: 1.5512375181781486
Energy: 0.8988045772489961
Energy: 1.2207373588677441
Energy: 0.8782315697708519
Energy: 1.2207373588677441
Energy: 1.2351532405816419
Energy: 1.4672252773618826
Energy: 0.8970604712858126
Energy: 1.4672252773628405
Energy: 0.9444711657547308
Energy: 1.445420069511097
Energy: 0.8746659527821231
Energy: 1.445420069511097
Energy: 1.5130881900472715
Energy: 1.5075134168515942
Energy: 0.8979201067338666
Energy: 1.5075134168496787
Energy: 0.8989505475891947
Energy: 1.5492645596572006
Energy: 0.8746663474002317
Energy: 1.5492645596572006
Energy: 0.8928523555991038
Energy: 1.4671809423592173
Energy: 0.9002947211472789
Energy: 1.4671809423582596
Energy: 0.8994905314686563
Energy: 1.5069758550406274
Energy: 1.2792594146244525
Energy: 1.5069758550406274
Energy: 0.8701279195888145
Energy: 1.5072401388352061
Energy: 0.8978380601908816
Energy: 1.507240138836164
Energy: 0.8977703409874302
Energy: 1.549202836489446
Energy: 1.2899471936847318
Energy: 1.5492028364884884
Energy: 0.8745972296807957
Energy: 1.221136712474724
Energy: 0.8995326212715035
Energy: 1.2211367124737662

minimum gb energy = 0.8701279195888145 eV
minimum distance =  2.17694875947081 Angstroms
sigma value = 41


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

Energy: 1.3523422013432753
Energy: 1.2793522674152595
Energy: 1.255401858899022
Energy: 1.2793522674152595
Energy: 1.7160141599328333
Energy: 1.264709424966929
Energy: 0.7888109212426713
Energy: 1.2647094249661437
Energy: 0.8104609731069643
Energy: 1.2533169091646281
Energy: 1.0313177256357773
Energy: 1.253316909163843
Energy: 1.6796112742144542
Energy: 1.265901449902106
Energy: 0.7886743752134548
Energy: 1.2659014499005354
Energy: 0.78451625655913
Energy: 1.2972622154318854
Energy: 0.819918644673567
Energy: 1.2972622154326705
Energy: 1.121482871148993
Energy: 1.264668949417048
Energy: 0.788759672358467
Energy: 1.2646689494162628
Energy: 0.7880530152041115
Energy: 1.2654461140819073
Energy: 1.175770150218834
Energy: 1.2654461140819073
Energy: 0.7761312992693
Energy: 1.0484545021197633
Energy: 0.7852909704400262
Energy: 1.0484545021205482
Energy: 0.79100880804113
Energy: 1.3459167958800844
Energy: 1.5790639454895536
Energy: 1.3459167958785139
Energy: 1.024300769715765
Energy: 1.2518560523290367
Energy: 0.8114418164888301
Energy: 1.251856052329822
Energy: 0.7880103444720189
Energy: 1.2643764911269142
Energy: 1.5222307835928623
Energy: 1.2643764911269142
Energy: 0.7764155825580273
Energy: 1.2772986620199347
Energy: 1.3528483559107838
Energy: 1.2772986620199347
Energy: 0.7913279619505094
Energy: 1.3507121850854709
Energy: 1.7067231143785042
Energy: 1.3507121850839003
Energy: 1.1246732933328292
Energy: 1.4092055976034714
Energy: 0.8112500829944523
Energy: 1.4092055976042568
Energy: 0.7878567436056196
Energy: 1.2641018702825617
Energy: 1.303314057905774
Energy: 1.2641018702817763
Energy: 1.114487811116892
Energy: 1.344222049744952
Energy: 0.7853722457939034
Energy: 1.3442220497441668
Energy: 0.7912011262050037
Energy: 1.3510746604588375
Energy: 1.154266063768614
Energy: 1.3510746604588375
Energy: 1.1083892799123019
Energy: 1.409541282036908
Energy: 0.7888209599379712
Energy: 1.409541282036908
Energy: 0.7879010798657539
Energy: 1.0480295531195571
Energy: 0.775978332307991
Energy: 1.0480295531195571
Energy: 1.1128268133423802
Energy: 1.3437213572488178
Energy: 0.7947890587093974
Energy: 1.3437213572488178
Energy: 0.8138971297079601
Energy: 1.3511975477881883
Energy: 0.7781495230209998
Energy: 1.3511975477881883
Energy: 1.5313693972881015
Energy: 1.4244563179731082
Energy: 0.788946646998222
Energy: 1.4244563179731082
Energy: 1.34071375058735
Energy: 1.277047054853214
Energy: 0.7763762083525356
Energy: 1.2770470548539994
Energy: 1.3232528522467901
Energy: 1.3489381800383007
Energy: 0.7906727864518582
Energy: 1.3489381800383007
Energy: 0.8141900048761384
Energy: 1.4088140736198722
Energy: 0.7832640801723731
Energy: 1.4088140736198722
Energy: 1.3033632246177802
Energy: 1.4259647321178222
Energy: 0.7888957218753386
Energy: 1.4259647321178222
Energy: 0.7880112643728908
Energy: 1.349936573323182
Energy: 1.122145065994961
Energy: 1.349936573323182
Energy: 0.7851320625450664
Energy: 1.3491639303312752
Energy: 0.7951100907527362
Energy: 1.3491639303312752
Energy: 0.7914955220820757
Energy: 1.408430269934455
Energy: 1.1089257181233811
Energy: 1.408430269934455
Energy: 0.7719834299759938
Energy: 1.3837102912303214
Energy: 0.7919332926275685
Energy: 1.3837102912295363
Energy: 0.7937749775004447
Energy: 1.3495934147811697
Energy: 1.1250563294105373
Energy: 1.3495934147819548
Energy: 0.7755387874493735
Energy: 1.3506866137475482
Energy: 0.8179550040832212
Energy: 1.3506866137483333

minimum gb energy = 0.7719834299759938 eV
minimum distance =  2.16124114718996 Angstroms
sigma value = 15


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

Energy: 1.2014914471856384
Energy: 1.253586150013056
Energy: 1.192160252855887
Energy: 1.253586150013721
Energy: 1.7032038369086102
Energy: 1.1898818542125507
Energy: 0.7239893100863226
Energy: 1.1898818542112202
Energy: 0.745427486865998
Energy: 1.126054712294572
Energy: 1.4085020254463758
Energy: 1.126054712294572
Energy: 1.628836081793498
Energy: 1.18998437129172
Energy: 0.7243004155973768
Energy: 1.1899843712950458
Energy: 0.7214795639573149
Energy: 1.4442127886200538
Energy: 0.7410473728677271
Energy: 1.4442127886207188
Energy: 1.2345874511876087
Energy: 1.1977710711399854
Energy: 0.7243680145253194
Energy: 1.197771071138655
Energy: 0.7236197452225238
Energy: 1.1377545219789682
Energy: 1.0863793149950982
Energy: 1.137754521978303
Energy: 1.0035943308564155
Energy: 1.1364596578645945
Energy: 0.7240831835377367
Energy: 1.1364596578659245
Energy: 0.7257730994469571
Energy: 1.262413095533088
Energy: 1.2384857051982059
Energy: 1.262413095533088
Energy: 0.7006900185928783
Energy: 1.2008265483191691
Energy: 0.722129956506512
Energy: 1.2008265483185039
Energy: 0.7236885938533778
Energy: 1.1995363642257617
Energy: 1.4221769474385093
Energy: 1.1995363642250965
Energy: 0.9088186608373254
Energy: 1.1247472724291097
Energy: 0.7460072703419979
Energy: 1.1247472724271141
Energy: 0.725746854460054
Energy: 1.2733647951715175
Energy: 1.5442003822742127
Energy: 1.2733647951721827
Energy: 0.7010830854340555
Energy: 1.263891663291593
Energy: 1.2019523551156648
Energy: 1.263891663291593
Energy: 0.7237544976887772
Energy: 1.2065352372904636
Energy: 1.5136174209396984
Energy: 1.2065352372911287
Energy: 1.0144299462115691
Energy: 1.12549231841843
Energy: 0.7460045110565079
Energy: 1.125492318415104
Energy: 0.7258311018654733
Energy: 1.2723451109335029
Energy: 1.337611061262498
Energy: 1.2723451109321724
Energy: 1.0064899547760382
Energy: 1.2691914768459112
Energy: 0.7221165416549358
Energy: 1.2691914768459112
Energy: 0.7238515365640217
Energy: 1.1994872999709543
Energy: 1.1500531112695895
Energy: 1.1994872999749453
Energy: 0.9894892103082905
Energy: 1.1980066709784127
Energy: 0.7241394071282672
Energy: 1.1980066709784127
Energy: 0.725761784078329
Energy: 1.2274513200564692
Energy: 0.9191455702302233
Energy: 1.2274513200564692
Energy: 0.9942621203135577
Energy: 1.2662027889500815
Energy: 0.7285811425095002
Energy: 1.2662027889494163
Energy: 0.7237939093137951
Energy: 1.1993917101470568
Energy: 0.7008982210021613
Energy: 1.1993917101463918
Energy: 1.4062510951097045
Energy: 1.1983238135006506
Energy: 0.7242331588729526
Energy: 1.198323813501981
Energy: 0.7475608447861972
Energy: 1.226324302124539
Energy: 0.7034809806514961
Energy: 1.226324302124539
Energy: 1.3624711348973426
Energy: 1.2707126703868854
Energy: 0.7284171959536696
Energy: 1.2707126703875506
Energy: 1.193540724572834
Energy: 1.2611838922010068
Energy: 0.7009943271991576
Energy: 1.2611838922016723
Energy: 1.513952670765289
Energy: 1.2038127106228618
Energy: 0.7242960563822499
Energy: 1.203812710623527
Energy: 0.7474934922831439
Energy: 1.287620589958238
Energy: 0.6983768180228582
Energy: 1.287620589958238
Energy: 1.1798362676435628
Energy: 1.2766665125724577
Energy: 0.7282179607446232
Energy: 1.2766665125717924
Energy: 0.7236794862063448
Energy: 1.2659492988649754
Energy: 1.0046670896986762
Energy: 1.26594929886431
Energy: 1.1666721069084305
Energy: 1.2040518076032636
Energy: 0.7244192425130755
Energy: 1.2040518076032636
Energy: 0.7257462694958706
Energy: 1.2880842102169743
Energy: 0.9984191669462653
Energy: 1.288084210216309
Energy: 0.7059391796863452
Energy: 1.2260611098535465
Energy: 0.7283691871803126
Energy: 1.2260611098535465
Energy: 0.7188831875393713
Energy: 1.266112402759078
Energy: 1.0031712689178864
Energy: 1.266112402759078
Energy: 0.7010858463412158
Energy: 1.2045189444985474
Energy: 0.7263437418789614
Energy: 1.2045189444985474
Energy: 0.7257669826977537
Energy: 1.2878879486372092
Energy: 1.403133536527639
Energy: 1.287887948637874

minimum gb energy = 0.6983768180228582 eV
minimum distance =  2.24635471871182 Angstroms
sigma value = 85


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

Energy: 1.1049626132697352
Energy: 1.1582021339056319
Energy: 1.1476554519120996
Energy: 1.158202133905055
Energy: 1.6877411711052273
Energy: 1.102131651427728
Energy: 0.6583540187409191
Energy: 1.1021316514271509
Energy: 1.0725628419603925
Energy: 1.0402646671229554
Energy: 0.8046835344285127
Energy: 1.0402646671235323
Energy: 1.6906654513663786
Energy: 1.1022442238501273
Energy: 0.6583799923579396
Energy: 1.1022442238535888
Energy: 0.6869411037309384
Energy: 1.0098298649157755
Energy: 0.6901935920500639
Energy: 1.0098298649163524
Energy: 1.2619642790249586
Energy: 1.0978356167321328
Energy: 0.6583083831219945
Energy: 1.0978356167321328
Energy: 0.6555719234371546
Energy: 1.0583603274523956
Energy: 0.9923781957652207
Energy: 1.058360327451819
Energy: 1.095435317219586
Energy: 1.1005084683480149
Energy: 0.6582717954186508
Energy: 1.1005084683480149
Energy: 0.6577168511959512
Energy: 1.0233755028242812
Energy: 1.131954764870346
Energy: 1.0233755028242812
Energy: 0.8920160247825236
Energy: 1.0587124852875027
Energy: 0.6562112859985946
Energy: 1.0587124852869259
Energy: 0.659867403873232
Energy: 1.0974541128505149
Energy: 1.3111407816564773
Energy: 1.0974541128505149
Energy: 0.6255552716823182
Energy: 1.1008221289250166
Energy: 0.6875335818060315
Energy: 1.1008221289255933
Energy: 0.6577858414444152
Energy: 1.0234494535094372
Energy: 1.4326289006779516
Energy: 1.0234494535088603
Energy: 0.8046307634883221
Energy: 1.0409071449029057
Energy: 1.0730864906455826
Energy: 1.0409071449029057
Energy: 0.6586054536174184
Energy: 1.1022403686304976
Energy: 1.505351718278714
Energy: 1.1022403686316513
Energy: 0.6258392377425877
Energy: 1.1525467536073941
Energy: 1.1055861387383052
Energy: 1.152546753607971
Energy: 0.6578522275348283
Energy: 1.0236425363121822
Energy: 1.505247235939647
Energy: 1.0236425363121822
Energy: 0.985278668751214
Energy: 1.0411546390867488
Energy: 1.0730944459943752
Energy: 1.0411546390873256
Energy: 0.6597884831776392
Energy: 1.1021349511808718
Energy: 1.3340339482268329
Energy: 1.1021349511808718
Energy: 0.9934809942727872
Energy: 1.1664876573768748
Energy: 0.6873062797006613
Energy: 1.1664876573768748
Energy: 0.6579019737880186
Energy: 1.0231663716553294
Energy: 1.183150413625407
Energy: 1.0231663716547525
Energy: 0.9869357688311914
Energy: 1.0974114770684078
Energy: 0.6561884276554424
Energy: 1.0974114770684078
Energy: 0.6596281178422823
Energy: 1.100283162806691
Energy: 1.0195854065058596
Energy: 1.100283162806691
Energy: 0.9977994574333147
Energy: 1.1661571894491904
Energy: 0.6582816615960697
Energy: 1.1661571894497675
Energy: 0.6578799013091806
Energy: 0.8664760684584054
Energy: 0.9172374989927689
Energy: 0.8664760684572516
Energy: 1.2584159039354257
Energy: 1.097482382625594
Energy: 0.6598396919237682
Energy: 1.097482382625594
Energy: 0.6890265452636469
Energy: 1.100364671213904
Energy: 0.6256946766556479
Energy: 1.1003646712150315
Energy: 1.2529284221144965
Energy: 1.1689896100633201
Energy: 0.6584203449938597
Energy: 1.1689896100633201
Energy: 1.067092627816006
Energy: 1.0400977416161092
Energy: 0.6260997257265773
Energy: 1.0400977416161092
Energy: 1.505162175213378
Energy: 1.1023272051232935
Energy: 0.6587523161896134
Energy: 1.1023272051227169
Energy: 1.1000141243206774
Energy: 1.1528050217274826
Energy: 0.6259503719034323
Energy: 1.1528050217274826
Energy: 1.3550980450588614
Energy: 1.1691134498613847
Energy: 0.6585749280848079
Energy: 1.1691134498619615
Energy: 1.0671798697718367
Energy: 1.0394224251281448
Energy: 0.624905110885566
Energy: 1.0394224251281448
Energy: 1.3326361954985761
Energy: 1.1000554744734674
Energy: 0.6588055139795368
Energy: 1.1000554744728908
Energy: 0.688899494672577
Energy: 1.1666334111895378
Energy: 0.8812712020440042
Energy: 1.1666334111895378
Energy: 1.0356031352368762
Energy: 1.1716609212980515
Energy: 0.6583834306913955
Energy: 1.1716609212986282
Energy: 0.6579121765639124
Energy: 1.09508960792698
Energy: 0.8802244864636671
Energy: 1.09508960792698
Energy: 1.019516105078838
Energy: 1.099887831231085
Energy: 0.659227878074539
Energy: 1.099887831231085
Energy: 0.6589233632527313
Energy: 1.1667277561965308
Energy: 0.8888836025440264
Energy: 1.166727756197108
Energy: 0.634216143032851
Energy: 1.135975312433161
Energy: 0.6589032439947559
Energy: 1.135975312433161
Energy: 0.6573302408843322
Energy: 1.094904206098873
Energy: 1.258262737033088
Energy: 1.094904206098296
Energy: 0.6257506278792899
Energy: 1.0999457479550871
Energy: 0.6897629799035883
Energy: 1.0999457479550871
Energy: 0.6602147996196767
Energy: 1.1669707526440125
Energy: 1.2529781162845908
Energy: 1.1669707526445894

minimum gb energy = 0.624905110885566 eV
minimum distance =  2.25526390630165 Angstroms
sigma value = 113


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

Energy: 0.015489893077990376
Energy: 0.016204405002943033
Energy: 0.97207413407238
Energy: 0.016204405002943033
Energy: 0.9698996904328775
Energy: 0.2833866364379441
Energy: 0.28320635825192575
Energy: 0.2833866364388065
Energy: 0.015489893077990376
Energy: 0.016204405002943033
Energy: 0.9702054642585056
Energy: 0.016204405002524163
Energy: 0.9698996904333209
Energy: 0.2833866364379441
Energy: 0.28320635447564585
Energy: 0.2833866364388065
Energy: 0.01548989307840924
Energy: 0.016204405003386536
Energy: 0.9702063847678022
Energy: 0.016204405002943033
Energy: 0.9698996904333209
Energy: 0.28338663643838763
Energy: 0.2832063589779695
Energy: 0.28338663643838763

minimum gb energy = 0.015489893077990376 eV
minimum distance =  2.54791424932319 Angstroms
sigma value = 1