Model name: model_name=EAM_Dynamo_AcklandTichyVitek_1987_Ag__MO_212700056563_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.086000084877014
cohesive_energy=2.9676773078051286
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.3815554576092997e-20, 7.2886219433928e-20, 1.1930816588043418e-19, 1.67549223677184e-19, 2.12596021918728e-19, 2.53158327761706e-19, 2.89212108556608e-19, 3.2024306560391995e-19, 3.4618550966164798e-19, 3.67423963121952e-19, 3.85103982278142e-19, 4.00462447491666e-19, 4.1410658370680996e-19, 4.26124510638444e-19, 4.3658512188183005e-19, 4.455797415051059e-19, 4.5319969357641e-19, 4.59539506517148e-19, 4.64692106572092e-19, 4.6874080692621e-19, 4.71767318587836e-19, 4.73846943858768e-19, 4.75050178510902e-19, 4.75436303079696e-19, 4.74982887092274e-19, 4.73348666925594e-19, 4.70069011355796e-19, 4.645975781506859e-19, 4.56282281420226e-19, 4.443540763800959e-19, 4.27902926702184e-19, 4.0594349375658e-19, 3.78344399059296e-19, 3.4556226295102194e-19, 3.08180277726534e-19, 2.65815523170306e-19, 2.16992394602424e-19, 1.59843555155961e-19, 9.202678280967239e-20, 1.0264344605720999e-20, -9.015383832452639e-20, -2.1536778749554798e-19, -3.7302357045778197e-19, -5.686204982897699e-19, -8.076620477293019e-19, -1.1043803538161999e-18, -1.4844310709907061e-18, -1.97995386253086e-18, -2.6069977317794397e-18, -3.43293580837278e-18, -4.589499055158359e-18, -6.332010340530419e-18, -8.929346947206839e-18, -1.351783663108578e-17]
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: 0.008959485965490215
Energy: 0.40521516551022146
Energy: 0.009249674059764531
Energy: 0.009118758413673414
Energy: 0.4049441767356063
Energy: 0.009280241399563141
Energy: 0.4052151655058984
Energy: 0.07308438348431816
Energy: 0.07304686190112591
Energy: 0.07296532582784315
Energy: 0.07309637215765076
Energy: 0.072995794741945
Energy: 0.009249674059996368
Energy: 0.07304686190112591
Energy: 0.07298087632585543
Energy: 0.009291232578552322
Energy: 0.07306182935312411
Energy: 0.07300877087067541
Energy: 0.009118758413673414
Energy: 0.07296532582999787
Energy: 0.009291232578552322
Energy: 0.009108990006535245
Energy: 0.07300837753930565
Energy: 0.009253995833066882
Energy: 0.40494417673680644
Energy: 0.07309637215717343
Energy: 0.07306182935527883
Energy: 0.07300837753930565
Energy: 0.07310736980662448
Energy: 0.07310298297864237
Energy: 0.009280241399317667
Energy: 0.0729957947424223
Energy: 0.07300877087067541
Energy: 0.00925399583329872
Energy: 0.0731029829807971
Energy: 0.009270095467272263

minimum gb energy = 0.008959485965490215 eV
minimum distance =  2.88483571321592 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.0562837178041584
Energy: 0.7578683886362068
Energy: 0.709183282160254
Energy: 0.6796769792042648
Energy: 0.7535359396022717
Energy: 0.7078590743558051
Energy: 0.9979583842361903
Energy: 0.7045169482821294
Energy: 0.6750481740877238
Energy: 0.6623981252844329
Energy: 0.7169786209102851
Energy: 0.6920715225097813
Energy: 1.0035613214987302
Energy: 0.7007146318321195
Energy: 0.6815180157361862
Energy: 0.6865342585426427
Energy: 0.722161825697175
Energy: 0.6740728793003236
Energy: 1.1577659821364974
Energy: 0.677770411595103
Energy: 0.6754795150774718
Energy: 0.6693904567276606
Energy: 0.6779068739851507
Energy: 0.676318616924927
Energy: 1.0173086371272893
Energy: 0.7001363940850834
Energy: 0.6887743104625124
Energy: 0.668568191440722
Energy: 0.6790366535921513
Energy: 0.6830134934411316
Energy: 0.972258183941537
Energy: 0.6943442689121694
Energy: 0.6913295491421145
Energy: 0.6737357090992676
Energy: 0.6954120436458174
Energy: 0.6905143103194871
Energy: 0.9790130005502216
Energy: 0.6965026944386306
Energy: 0.6792865189969145
Energy: 0.6745672227651046
Energy: 0.697593622629613
Energy: 0.6798605433169328
Energy: 0.9443004730677829
Energy: 0.6608474900524602
Energy: 0.6605039242300157
Energy: 0.6246953523848483
Energy: 0.6562388319098703
Energy: 0.6939544230940246
Energy: 0.751485216844512
Energy: 0.6736377593923165
Energy: 0.66079474949902
Energy: 0.6952850737657938
Energy: 0.6736574177798331
Energy: 0.690704218528989
Energy: 0.7559503799955075
Energy: 0.6836961962015421
Energy: 0.6839455282166446
Energy: 0.6823826908861189
Energy: 0.6692492952104623
Energy: 0.6850644601552216
Energy: 0.7900827079469609
Energy: 0.6871298950824613
Energy: 0.6887689514872322
Energy: 0.7252955528823971
Energy: 0.6872302998937255
Energy: 0.6658759975828031
Energy: 0.7220017754024062
Energy: 0.6834339065342085
Energy: 0.6862029161670117
Energy: 0.7219857950624566
Energy: 0.6848613901116553
Energy: 0.6732932620952902
Energy: 0.7217666505845574
Energy: 0.6702318639953666
Energy: 0.6729413413269194
Energy: 0.7216880593676693
Energy: 0.6820678928061099
Energy: 0.6924578293273291
Energy: 0.829523329116577
Energy: 0.676222155366444
Energy: 0.6751575161224244
Energy: 0.7371438732899055
Energy: 0.6770702447067627
Energy: 0.6858138436490183
Energy: 0.7310660167839587
Energy: 0.6690378438654675
Energy: 0.6833145179821691
Energy: 0.6923334272283143
Energy: 0.6688435228206066
Energy: 0.6859067500881135
Energy: 0.7273803825931124
Energy: 0.6884743827760753
Energy: 0.6539878122963518
Energy: 0.7137954446201722
Energy: 0.6882470083393262
Energy: 0.6944004972701859
Energy: 0.8833020154964624
Energy: 0.6738193166715161
Energy: 0.688031058306112
Energy: 0.6741312234438658
Energy: 0.6788836610495026
Energy: 0.6945007126694633
Energy: 0.8455209348515786
Energy: 0.674412231854592
Energy: 0.687811867099711
Energy: 0.675474421826125
Energy: 0.6749914179196981
Energy: 0.6883548863331872
Energy: 0.8458945892163903
Energy: 0.6873765949365788
Energy: 0.6884553408804944
Energy: 0.6746013244762626
Energy: 0.675110022917094
Energy: 0.6883040648661011
Energy: 1.0093761510269954
Energy: 0.6743926201903394
Energy: 0.6886050705974689
Energy: 0.6748383776101958
Energy: 0.6750236777203812
Energy: 0.6881171708274937
Energy: 1.0658446294685573
Energy: 0.6600001871000412
Energy: 0.651219536765668
Energy: 0.6882122273538575
Energy: 0.6721429374925618
Energy: 0.6689936534007788
Energy: 1.0130724811420169
Energy: 0.6933326832941893
Energy: 0.6722989277441158
Energy: 0.6858913525738038
Energy: 0.712498718957234
Energy: 0.672164908263143
Energy: 1.039683277523036
Energy: 0.6948969837058444
Energy: 0.6434969645463559
Energy: 0.6781429310158426
Energy: 0.6952761955121866
Energy: 0.670293910027077

minimum gb energy = 0.6246953523848483 eV
minimum distance =  2.71996172062151 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.2157511159361596
Energy: 0.7817502417599534
Energy: 0.7424816217534116
Energy: 0.741174051007891
Energy: 0.7475408019814487
Energy: 0.7841067942891031
Energy: 0.9556455619049875
Energy: 0.7265126606743295
Energy: 0.6967037604752959
Energy: 0.7101520718838122
Energy: 0.7174990605139334
Energy: 0.6893612057953058
Energy: 0.9354262456081225
Energy: 0.7296421281082974
Energy: 0.7127192785589428
Energy: 0.721886893589872
Energy: 0.7267506711843549
Energy: 0.7569924650817451
Energy: 1.014511450149273
Energy: 0.7565443899275365
Energy: 0.7195508191058515
Energy: 0.7130652928976146
Energy: 0.7596305910505633
Energy: 0.6969250114621692
Energy: 0.9233413230638904
Energy: 0.7428493287125765
Energy: 0.7040811736605297
Energy: 0.7182167732580719
Energy: 0.705814168720851
Energy: 0.7646683331431176
Energy: 0.9835800864182728
Energy: 0.7614522069046232
Energy: 0.7622936211954472
Energy: 0.6818040528276718
Energy: 0.7665717368722021
Energy: 0.7625224038972107
Energy: 0.9832468719048008
Energy: 0.7579270447081751
Energy: 0.7609464700290796
Energy: 0.7336034910650217
Energy: 0.7491305117966921
Energy: 0.7602021048502252
Energy: 0.9234527362549374
Energy: 0.7355273738242997
Energy: 0.7368571903655035
Energy: 0.6695809935635145
Energy: 0.7356749294158391
Energy: 0.7353296713774036
Energy: 0.7937502957648964
Energy: 0.7331082136579243
Energy: 0.7606741657656175
Energy: 0.7620539181101424
Energy: 0.6846800887435545
Energy: 0.7494157432702411
Energy: 0.7967632039717852
Energy: 0.7602669189369613
Energy: 0.7569641413781091
Energy: 0.7612889703623159
Energy: 0.7603223837591764
Energy: 0.7577544843579936
Energy: 0.8239936071334202
Energy: 0.6978785694105002
Energy: 0.6976817277452741
Energy: 0.787938314016692
Energy: 0.6992749071685371
Energy: 0.6976163039077974
Energy: 0.7577820846835401
Energy: 0.7109359049137036
Energy: 0.7257232884218461
Energy: 0.7578061591569669
Energy: 0.7107435105783456
Energy: 0.7603013275698239
Energy: 0.7612115906958892
Energy: 0.7579107584562618
Energy: 0.7582194873165226
Energy: 0.7608998738014688
Energy: 0.7587728458558644
Energy: 0.7486366941195381
Energy: 0.8363795284528074
Energy: 0.7114271772402768
Energy: 0.700890174018313
Energy: 0.8131245558330853
Energy: 0.7130011109187956
Energy: 0.7022524413632012
Energy: 0.8013934690841201
Energy: 0.7573083739272235
Energy: 0.7588922283557379
Energy: 0.7605885559380297
Energy: 0.7583038566977549
Energy: 0.7299402892631806
Energy: 0.795070679429306
Energy: 0.7335215937294041
Energy: 0.761132245100664
Energy: 0.767044696266102
Energy: 0.7643785251406016
Energy: 0.7610801482426565
Energy: 0.9217055038226133
Energy: 0.7590144232014305
Energy: 0.7615813090461089
Energy: 0.7520804195008574
Energy: 0.7605400164025404
Energy: 0.7617568748099036
Energy: 0.8209250093354097
Energy: 0.724845361715566
Energy: 0.725885132687666
Energy: 0.7356907887250406
Energy: 0.6856115906790933
Energy: 0.7365540413742443
Energy: 0.821385552967121
Energy: 0.7640908931564647
Energy: 0.747631726947898
Energy: 0.7369206277831283
Energy: 0.7628223507727427
Energy: 0.7603462099765678
Energy: 0.948310544693349
Energy: 0.7642232358371529
Energy: 0.7626694735088951
Energy: 0.7599466507398258
Energy: 0.7637882752245962
Energy: 0.7592862955474826
Energy: 1.1885990196873464
Energy: 0.7891490836916053
Energy: 0.6976854970349542
Energy: 0.7014340318566306
Energy: 0.7620578437635429
Energy: 0.6977169577930036
Energy: 0.7902994516322206
Energy: 0.7583030645226229
Energy: 0.7567128071422607
Energy: 0.7107226770489329
Energy: 0.7583344929414979
Energy: 0.7599668652050549
Energy: 0.9541736258308656
Energy: 0.7619301229329185
Energy: 0.7462900587223801
Energy: 0.7586359071109492
Energy: 0.7617210672585787
Energy: 0.7588125450598522
Energy: 1.0139461433955543
Energy: 0.8229278821220636
Energy: 0.8173585524960114
Energy: 0.7040608042359389
Energy: 0.8355524895271388
Energy: 0.7132462396372616
Energy: 0.95049581712078
Energy: 0.7729349839463415
Energy: 0.7726328212340985
Energy: 0.7585808288170952
Energy: 0.7537723168519426
Energy: 0.7606673524415913
Energy: 0.9347640029238766
Energy: 0.7648496585917173
Energy: 0.7601000617627642
Energy: 0.7575592780335968
Energy: 0.7652552139906592
Energy: 0.7656140380035564
Energy: 1.0343105476398777
Energy: 0.7628295571875114
Energy: 0.7625247678864385
Energy: 0.7610767344322188
Energy: 0.7320988757563373
Energy: 0.7623737963330852
Energy: 0.9178850627382298
Energy: 0.7364828727189207
Energy: 0.738083872155953
Energy: 0.7036632031380105
Energy: 0.7370178274573871
Energy: 0.7402829139821084
Energy: 0.7938687762292442
Energy: 0.7370294662665018
Energy: 0.7379547274561649
Energy: 0.7635887433921094
Energy: 0.7357037535977139
Energy: 0.7612100331282591
Energy: 0.7952557338332258
Energy: 0.7593357283697861
Energy: 0.7578452570733669
Energy: 0.7630316854684195
Energy: 0.7597975704513192
Energy: 0.7483831215412788
Energy: 0.8208625680791919
Energy: 0.7002089678343326
Energy: 0.6976406374698224
Energy: 0.7511221002471127
Energy: 0.7012167746534183
Energy: 0.6975435885160927
Energy: 0.7580314402145414
Energy: 0.7112862590246217
Energy: 0.6645163383121758
Energy: 0.7581451359023571
Energy: 0.7107982677350146
Energy: 0.7550436906836697
Energy: 0.7611802290536662
Energy: 0.7573356951411152
Energy: 0.7577178051278751
Energy: 0.7617384657181864
Energy: 0.7573878180208374
Energy: 0.701263633584087
Energy: 0.7678936008178617
Energy: 0.696803301043938
Energy: 0.697117728664503
Energy: 0.7614960427471645
Energy: 0.70018911388898
Energy: 0.6974456854879315
Energy: 0.8028834779475159
Energy: 0.7585831410444502
Energy: 0.759469817847813
Energy: 0.7372090732361993
Energy: 0.7590777349147666
Energy: 0.7707746377948567
Energy: 0.7945883277550043
Energy: 0.754420975273716
Energy: 0.7329224141508115
Energy: 0.7664852031235454
Energy: 0.7483932907344231
Energy: 0.7611792535981693
Energy: 0.7960759460850741
Energy: 0.7570720215355065
Energy: 0.7172033296603552
Energy: 0.7055310405723477
Energy: 0.7194060561881417
Energy: 0.7055577602580684
Energy: 0.8214867442997575
Energy: 0.7462579240337932
Energy: 0.7184895793973181
Energy: 0.7353776450047965
Energy: 0.7185032913067404
Energy: 0.765686022127489
Energy: 0.8208697520300585
Energy: 0.7181197633130205
Energy: 0.7181505048056249
Energy: 0.7356108231041854
Energy: 0.7219917054461148
Energy: 0.7358153432336517
Energy: 0.9193170417046233
Energy: 0.7311297002219128
Energy: 0.7027306143776664
Energy: 0.7066933235278227
Energy: 0.721781649888602
Energy: 0.7188886515348553
Energy: 0.822795490858994
Energy: 0.7226034660723254
Energy: 0.6972942061577871
Energy: 0.6999849311792291
Energy: 0.712293397797647
Energy: 0.7219942652281661

minimum gb energy = 0.6645163383121758 eV
minimum distance =  2.70680649457832 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.1095293214862947
Energy: 0.704983453506081
Energy: 0.7957624115461434
Energy: 0.7401915111756063
Energy: 0.9013907431003417
Energy: 0.7305306409000766
Energy: 0.9011641232196924
Energy: 0.7279019915088609
Energy: 0.7059497326262438
Energy: 0.6975981291436433
Energy: 0.7277893764277841
Energy: 0.6993348871078751
Energy: 0.9017036087614357
Energy: 0.7255580070947582
Energy: 0.7216448597278122
Energy: 0.7323551240057101
Energy: 0.725911098335229
Energy: 0.695058305194208
Energy: 0.9952802607748308
Energy: 0.7002470388408221
Energy: 0.7007786718807836
Energy: 0.7147157851367448
Energy: 0.703924931059465
Energy: 0.7143898069727668
Energy: 0.901729876625669
Energy: 0.7345520343049432
Energy: 0.7397561146605374
Energy: 0.6997837601377593
Energy: 0.7317539602134838
Energy: 0.7002380816935561
Energy: 0.8203086568315203
Energy: 0.7315348367443457
Energy: 0.728225843498346
Energy: 0.7314444809295806
Energy: 0.7319430973382718
Energy: 0.7329250236392001
Energy: 0.8203925504420896
Energy: 0.6982652986841908
Energy: 0.6983758458674468
Energy: 0.731477284140983
Energy: 0.6981176223725469
Energy: 0.7005322069820303
Energy: 0.8258879476357365
Energy: 0.6999816581579
Energy: 0.7011833926799129
Energy: 0.6997650277256127
Energy: 0.7002420663826432
Energy: 0.6996250519865056
Energy: 0.7255263346653312
Energy: 0.6982458118050662
Energy: 0.6973343654169356
Energy: 0.7255873821850763
Energy: 0.6939263894172046
Energy: 0.7308085060810989
Energy: 0.7278229202789692
Energy: 0.6986846596822416
Energy: 0.7020976538840861
Energy: 0.727833096001123
Energy: 0.6975617479072409
Energy: 0.7022287312009163
Energy: 0.751017652029846
Energy: 0.6934034995558681
Energy: 0.6933997696366303
Energy: 0.7511961289589825
Energy: 0.6921526141103637
Energy: 0.6935024961710234
Energy: 0.7354711210126335
Energy: 0.6988964905108935
Energy: 0.7171612447171556
Energy: 0.7052502515906317
Energy: 0.694423925636426
Energy: 0.7326100716147045
Energy: 0.7338908291684078
Energy: 0.7116500131519817
Energy: 0.7173506231730409
Energy: 0.7238437384748777
Energy: 0.7083053444643235
Energy: 0.7201550195662278
Energy: 0.7354278490579638
Energy: 0.7151834820939533
Energy: 0.7178682310962147
Energy: 0.7295398071002513
Energy: 0.719107363050186
Energy: 0.7139736176477752
Energy: 0.8835481639398872
Energy: 0.7080874301547772
Energy: 0.707804478021117
Energy: 0.7219507308773145
Energy: 0.7078324713028308
Energy: 0.7076946544256307
Energy: 0.8829172432890037
Energy: 0.728458093445398
Energy: 0.717972122912787
Energy: 0.7238779024582811
Energy: 0.724285585973844
Energy: 0.7233951525060084
Energy: 0.9067118307324339
Energy: 0.7244692412976665
Energy: 0.7202146264698519
Energy: 0.6993743190551724
Energy: 0.724484201728359
Energy: 0.7137507480643936
Energy: 1.102134544389339
Energy: 0.7024784298541054
Energy: 0.6861369137004164
Energy: 0.6978050176576925
Energy: 0.7025154270537544
Energy: 0.6815253827728533

minimum gb energy = 0.6815253827728533 eV
minimum distance =  2.74222115344952 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.9232684893170731
Energy: 0.6479683462624947
Energy: 0.7830335103374505
Energy: 0.7837998408941537
Energy: 0.6456869599881936
Energy: 0.7836399003595327
Energy: 0.7311960640340514
Energy: 0.6454087330433659
Energy: 0.6453637465705848
Energy: 0.6691282188018622
Energy: 0.645381163091383
Energy: 0.645663493570537
Energy: 0.7311912493993533
Energy: 0.64543127356776
Energy: 0.6454069645236503
Energy: 0.6762286875432344
Energy: 0.645447246809624
Energy: 0.6454964252330314
Energy: 0.7753150745743895
Energy: 0.6453076855760933
Energy: 0.6453933647968588
Energy: 0.6691321247291093
Energy: 0.6454651469020282
Energy: 0.6456475732295138
Energy: 0.731971862422923
Energy: 0.6454021295089098
Energy: 0.6689816300791984
Energy: 0.633542808088781
Energy: 0.6452078738567303
Energy: 0.668236980392475
Energy: 0.7844138861448261
Energy: 0.6258630827888886
Energy: 0.6680245127769691
Energy: 0.6701671893219969
Energy: 0.6257040870528549
Energy: 0.667327741318363
Energy: 0.7835636144933681
Energy: 0.6338857216646179
Energy: 0.6687404492224344
Energy: 0.6699799740643084
Energy: 0.6335384723891588
Energy: 0.6682997775860494
Energy: 0.7314750263691202
Energy: 0.6366652944038871
Energy: 0.6460906589420108
Energy: 0.7315004045729936
Energy: 0.637180358240745
Energy: 0.6261938766568113
Energy: 0.6451748065087047
Energy: 0.626568832184894
Energy: 0.6262388702358127
Energy: 0.6452118489063111
Energy: 0.6269577001426899
Energy: 0.6259010106992022
Energy: 0.6452714188947979
Energy: 0.6687893692695147
Energy: 0.6458163829402765
Energy: 0.6452851186633753
Energy: 0.6337516949059742
Energy: 0.6453452460173116
Energy: 0.6453356725168933
Energy: 0.6690007046384583
Energy: 0.6691733274555003
Energy: 0.645220502206846
Energy: 0.666333628502667
Energy: 0.6455190392197585
Energy: 0.7301795583579281
Energy: 0.668729903119975
Energy: 0.6687450652533379
Energy: 0.6454404309090723
Energy: 0.6338384662498258
Energy: 0.6461288524951578
Energy: 0.6250364520177508
Energy: 0.6687535922853712
Energy: 0.6689278579395292
Energy: 0.625552453113402
Energy: 0.6686267482273693
Energy: 0.6694348786049739
Energy: 0.7300435141212813
Energy: 0.6700536533147399
Energy: 0.669154157445737
Energy: 0.6453898087385548
Energy: 0.6703166586330073
Energy: 0.669314272245866
Energy: 0.9734515507908834
Energy: 0.6453383599201291
Energy: 0.6457585081573645
Energy: 0.6329771713743673
Energy: 0.6452956691387352
Energy: 0.6260782613859559
Energy: 0.9288050185290847
Energy: 0.6460950356838869
Energy: 0.6264824912887847
Energy: 0.6370854191071412
Energy: 0.6461464233432683
Energy: 0.6265303294124901
Energy: 0.7305795247371292
Energy: 0.6452288265068962
Energy: 0.6454701003010735
Energy: 0.6335737471960101
Energy: 0.6449397487368996
Energy: 0.6455630972289095
Energy: 0.7736030502741948
Energy: 0.645218485562711
Energy: 0.6453613789483771
Energy: 0.6686282002893729
Energy: 0.6452032899925018
Energy: 0.645587293959334
Energy: 0.7735444431853148
Energy: 0.6452806399678107
Energy: 0.6452479739472695
Energy: 0.6686727065264201
Energy: 0.6452870023783301
Energy: 0.645662625737306
Energy: 0.7299299884402378
Energy: 0.6258905545080639
Energy: 0.6683948163306582
Energy: 0.6694737749314422
Energy: 0.6257060777043625
Energy: 0.6677137129013629
Energy: 0.7823284691303436
Energy: 0.6457428391173755
Energy: 0.6690128381632637
Energy: 0.6703778887959518
Energy: 0.6452049147336587
Energy: 0.6694054436406836
Energy: 0.823760648337747
Energy: 0.6339044951793013
Energy: 0.6692695687841455
Energy: 0.6454727982198257
Energy: 0.6338168565364068
Energy: 0.6690844763033221
Energy: 0.6340165682372358
Energy: 0.6261046337732998
Energy: 0.6261209326359152
Energy: 0.6340158799358064
Energy: 0.6260075735656311
Energy: 0.6262119001560255
Energy: 0.6454773039732025
Energy: 0.6680105864191681
Energy: 0.6482233539126453
Energy: 0.6454508553213796
Energy: 0.6566169056635833
Energy: 0.6455432148748061
Energy: 0.6454628028165731
Energy: 0.6690197895929261
Energy: 0.6457505266270706
Energy: 0.6454307047448999
Energy: 0.676032950579393
Energy: 0.6453435823324605
Energy: 0.7309093881500485
Energy: 0.6686830772931477
Energy: 0.6688924030148489
Energy: 0.7308890350290196
Energy: 0.6687386451844037
Energy: 0.6455175801613033
Energy: 0.8249134398712681
Energy: 0.6690148739528162
Energy: 0.668561074574981
Energy: 0.6451332213707782
Energy: 0.6337601812176271
Energy: 0.6689275665718974
Energy: 0.6256380134198111
Energy: 0.6708341248221656
Energy: 0.6685597687514422
Energy: 0.6256498796801966
Energy: 0.6698305283311615
Energy: 0.6677216723520476
Energy: 0.7304213819459097
Energy: 0.6702898223227353
Energy: 0.6687175323681894
Energy: 0.633634298126039
Energy: 0.669795381120702
Energy: 0.6675821573217674
Energy: 0.9293948510222443
Energy: 0.6457264570322739
Energy: 0.6260300025945028
Energy: 0.6370928433361713
Energy: 0.6454005063966882
Energy: 0.6361976852888452

minimum gb energy = 0.6250364520177508 eV
minimum distance =  2.73573033443479 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.7878253493895956
Energy: 0.6854590372191885
Energy: 0.8123900605593252
Energy: 0.6261859408527486
Energy: 0.6850714027220476
Energy: 0.8097930389580817
Energy: 0.7795310384424726
Energy: 0.6847052038251953
Energy: 0.6853326308429867
Energy: 0.6349022636448469
Energy: 0.6960586763083499
Energy: 0.633827571155625
Energy: 0.711357020905079
Energy: 0.6924131060987951
Energy: 0.6924018911890607
Energy: 0.6674657470798665
Energy: 0.6926246209657669
Energy: 0.6344441161128219
Energy: 1.0049656652229635
Energy: 0.692249971617863
Energy: 0.6810820250332604
Energy: 0.6620251147487133
Energy: 0.6753915431728913
Energy: 0.6335326610379782
Energy: 0.8248178710280676
Energy: 0.6186327297793808
Energy: 0.6328641051933629
Energy: 0.6805900111576144
Energy: 0.617639292133823
Energy: 0.6335771840153301
Energy: 0.692392738449715
Energy: 0.6306361492974958
Energy: 0.6989552967704937
Energy: 0.6924013560174722
Energy: 0.6300205543139725
Energy: 0.6182547004168825
Energy: 0.6951399521036399
Energy: 0.6324760699338963
Energy: 0.6337358280412957
Energy: 0.6951698830326933
Energy: 0.6349454089364743
Energy: 0.6340667790499662
Energy: 0.6960231482015142
Energy: 0.6382839651524421
Energy: 0.6279947180888521
Energy: 0.6961112710270433
Energy: 0.6379701112249052
Energy: 0.6749183980349126
Energy: 0.7132111920853926
Energy: 0.6275467676339869
Energy: 0.6343308038699669
Energy: 0.6846532865396184
Energy: 0.6579989596971956
Energy: 0.6324222537471142
Energy: 0.6215340754990607
Energy: 0.6534944751382318
Energy: 0.6519626208189586
Energy: 0.659060676332578
Energy: 0.6478071303854084
Energy: 0.6514561445824928
Energy: 0.711035037844355
Energy: 0.662026320584634
Energy: 0.6492463832122264
Energy: 0.6833301761572453
Energy: 0.6599116981145778
Energy: 0.6481159746182932
Energy: 0.6953236261557931
Energy: 0.6345687322179085
Energy: 0.6349512003175428
Energy: 0.6533186993230283
Energy: 0.6814756862218613
Energy: 0.6525404878700783

minimum gb energy = 0.617639292133823 eV
minimum distance =  2.72703274919669 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.1096506827285595
Energy: 0.6991861709050164
Energy: 0.7973882144824473
Energy: 0.6438211398681606
Energy: 0.7019695168174654
Energy: 0.6443333345511637
Energy: 0.601690191013951
Energy: 0.6033174348564795
Energy: 0.601969627825941
Energy: 0.5637555496464663
Energy: 0.6014089394756553
Energy: 0.5869688524839003
Energy: 0.7780267736558515
Energy: 0.5956465609568856
Energy: 0.5960991453334066
Energy: 0.5751040065712818
Energy: 0.5951453637446572
Energy: 0.5781547115860615
Energy: 0.7736469645390962
Energy: 0.5757004927176655
Energy: 0.5760400810298123
Energy: 0.5755533001438443
Energy: 0.593462853098705
Energy: 0.5775668467633512
Energy: 0.7070081059441231
Energy: 0.588510870602471
Energy: 0.5547711545711607
Energy: 0.6499818643962296
Energy: 0.58846711672328
Energy: 0.5681985527404076
Energy: 0.6493089592307976
Energy: 0.5675576649704904
Energy: 0.5541867005845489
Energy: 0.6493042229208034
Energy: 0.5627616366361854
Energy: 0.6178175495426959
Energy: 0.643680842401117
Energy: 0.5578650584213487
Energy: 0.5578302067409953
Energy: 0.6448207343429232
Energy: 0.5843457562504031
Energy: 0.5920469662824145
Energy: 0.6442709346045421
Energy: 0.5833478643442533
Energy: 0.6059623984199346
Energy: 0.6443676193577405
Energy: 0.5852253376240992
Energy: 0.6436260453047927
Energy: 0.595043064238076
Energy: 0.5939449511024817
Energy: 0.5517582734989609
Energy: 0.6405632884426204
Energy: 0.5938720527791093
Energy: 0.5843946646738551
Energy: 0.8984128976404311
Energy: 0.6329783899232504
Energy: 0.6314505305392382
Energy: 0.5644290589547923
Energy: 0.6330424272896458
Energy: 0.6072810396236388
Energy: 0.9005284729875894
Energy: 0.6434976041764581
Energy: 0.6437197943460484
Energy: 0.5970218803869817
Energy: 0.6433018712535474
Energy: 0.550770652454774
Energy: 0.6520094653717038
Energy: 0.6485541095010614
Energy: 0.6223985670752256
Energy: 0.5701373138640228
Energy: 0.6464238683814529
Energy: 0.566736540244233
Energy: 0.9942077767406763
Energy: 0.6253926495031168
Energy: 0.63164818166388
Energy: 0.6055473415598225
Energy: 0.6253757012605268
Energy: 0.62551870713608
Energy: 0.6500980593195111
Energy: 0.6485377659924255
Energy: 0.5507310022256877
Energy: 0.5695736358935075
Energy: 0.6472659406371317
Energy: 0.5504999850595013
Energy: 0.5972780154507293
Energy: 0.5786364152956708
Energy: 0.5827731932809028
Energy: 0.5957406579669993
Energy: 0.5795670969627426
Energy: 0.5713854170464069
Energy: 0.5883391287908787
Energy: 0.5586184406618566
Energy: 0.5662586315301299
Energy: 0.5888719433687324
Energy: 0.5981808182749545
Energy: 0.5848404453698717
Energy: 0.6052448942828333
Energy: 0.5683578374631493
Energy: 0.5651381742011419
Energy: 0.6052850776856289
Energy: 0.5681447579681089
Energy: 0.5878267134315966
Energy: 0.6022925008880063
Energy: 0.5646606567959914
Energy: 0.5912861121814154
Energy: 0.6030419371443719
Energy: 0.5841044347632524
Energy: 0.6417429171948881
Energy: 0.6022405267020688
Energy: 0.5621554042541924
Energy: 0.5624177215565934
Energy: 0.5887886694196383
Energy: 0.5595067973120658
Energy: 0.5658086017907212
Energy: 0.6005706836877295
Energy: 0.5707680353485133
Energy: 0.5695060102582699
Energy: 0.5697248256224583
Energy: 0.5701797215155576
Energy: 0.56730425651515
Energy: 0.6025608303121018
Energy: 0.5714938379445001
Energy: 0.5686411850681677
Energy: 0.5939355978784003
Energy: 0.5892421023597121
Energy: 0.562840330467802
Energy: 1.1129918108729495
Energy: 0.6035211489792701
Energy: 0.6163237170128409
Energy: 0.5874358917099417
Energy: 0.6020530951482309
Energy: 0.558861587752229
Energy: 0.6434101584097665
Energy: 0.6010386496057057
Energy: 0.6003213222533812
Energy: 0.5876384694036588
Energy: 0.6012392574223189
Energy: 0.5761906713090063
Energy: 0.6016409776185614
Energy: 0.5958142754074187
Energy: 0.5868068080751605
Energy: 0.6113988680891036
Energy: 0.5955989281099642
Energy: 0.5754192344845291
Energy: 0.7625655418012189
Energy: 0.5957308983829219
Energy: 0.5760735502223656
Energy: 0.6652335920544562
Energy: 0.5956261476088751
Energy: 0.5989533812959434
Energy: 0.6017050124303712
Energy: 0.5695300740716075
Energy: 0.5698539240803661
Energy: 0.6511787008522409
Energy: 0.5697170843263116
Energy: 0.551272647559358
Energy: 0.8348966006451825
Energy: 0.6245419487287002
Energy: 0.611171257222755
Energy: 0.8349150659363073
Energy: 0.7390633258903301
Energy: 0.5967264274667107
Energy: 0.6501982188364805
Energy: 0.5499703545517329
Energy: 0.5503597210367772
Energy: 0.6502805695730088
Energy: 0.5705246268515545
Energy: 0.6183635799683026
Energy: 0.6439704888640037
Energy: 0.5939895281951763
Energy: 0.5506374563164396
Energy: 0.6439446026552859
Energy: 0.5939177465373329
Energy: 0.6334473686371743
Energy: 0.584351924450512
Energy: 0.5880109763041622
Energy: 0.5760413186044911
Energy: 0.6121422073125763
Energy: 0.5743256053305575
Energy: 0.6302994769151581
Energy: 0.5535132194350447
Energy: 0.6330267459426486
Energy: 0.6062022577840186
Energy: 0.5961497604517093
Energy: 0.6328592747391505
Energy: 0.5510045217531585
Energy: 0.8978111683257541
Energy: 0.6432913712593933
Energy: 0.6432797923864494
Energy: 0.5650150178258747
Energy: 0.6431779145336207
Energy: 0.6072966348582708
Energy: 0.6014062074651912
Energy: 0.646720213277162
Energy: 0.6232802198828388
Energy: 0.613329823633269
Energy: 0.6465541297818472
Energy: 0.5590582835953981
Energy: 1.0052282486646469
Energy: 0.6482835497399952
Energy: 0.6482319341343156
Energy: 0.582713493521268
Energy: 0.646806868784966
Energy: 0.6251405080259113
Energy: 0.5984461098201879
Energy: 0.6487252975717414
Energy: 0.618712480077731
Energy: 0.5927168877270365
Energy: 0.6464338788216698
Energy: 0.5668687074322982
Energy: 0.59777647823675
Energy: 0.5779228824364903
Energy: 0.590236773424022
Energy: 0.615541879823711
Energy: 0.5774986805038812
Energy: 0.5764969030378754
Energy: 0.59438866338757
Energy: 0.5969675302541131
Energy: 0.5740854940687314
Energy: 0.5947857681136919
Energy: 0.5920096449835444
Energy: 0.586012804913894
Energy: 0.6016586376697541
Energy: 0.5628665422576535
Energy: 0.5623111776162033
Energy: 0.6014884878918896
Energy: 0.5650213558073983
Energy: 0.568470052558553
Energy: 0.6428807445247836
Energy: 0.6601729855916464
Energy: 0.6416578514172628
Energy: 0.7152845859499726
Energy: 0.6023144634135155
Energy: 0.6802839402571021
Energy: 0.602880558194793
Energy: 0.5635348798543777
Energy: 0.5671033185170103
Energy: 0.6040372050901829
Energy: 0.5634326509626797
Energy: 0.5600784780672203
Energy: 0.5986226835985322
Energy: 0.5698117312501124
Energy: 0.5752935982593684
Energy: 0.568155600209965
Energy: 0.5693077221307121
Energy: 0.5735608615586956
Energy: 0.6024743253677379
Energy: 0.5709797691208321
Energy: 0.5694503522761518
Energy: 0.5886926130472033
Energy: 0.570554257888013
Energy: 0.5669770304124251
Energy: 0.6435367100623797
Energy: 0.6031291799769433
Energy: 0.563444654031592
Energy: 0.5877547667372666
Energy: 0.6030168777701433
Energy: 0.5761642705909781

minimum gb energy = 0.5499703545517329 eV
minimum distance =  2.72872743849029 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.6243098862342347
Energy: 0.7050248686055972
Energy: 0.5065877180685879
Energy: 0.545946946849977
Energy: 0.7851698807663589
Energy: 0.5871856628077128
Energy: 0.6271203939223338
Energy: 0.6984867342121991
Energy: 0.392381064915573
Energy: 0.43038154633749826
Energy: 0.6985793595521593
Energy: 0.41335622708310465
Energy: 0.7597835239631372
Energy: 0.7102010069959542
Energy: 0.6888287944313441
Energy: 0.7021588485427442
Energy: 0.7108220158338917
Energy: 0.6931850131164501
Energy: 0.4697602221154086
Energy: 0.42885865057284867
Energy: 0.4389217133963757
Energy: 0.3921282484437661
Energy: 0.41580143371615713
Energy: 0.41639395089074716
Energy: 0.47149666646599014
Energy: 0.4792559859874558
Energy: 0.47890981329589066
Energy: 0.39775166083713726
Energy: 0.4924884225958781
Energy: 0.3927920633441605
Energy: 0.6876966961031005
Energy: 0.49168297571273256
Energy: 0.48020750100595916
Energy: 0.6449283204750027
Energy: 0.49225537977903067
Energy: 0.4594368452633015
Energy: 0.6887244524399728
Energy: 0.41268059460866546
Energy: 0.4261596732872005
Energy: 0.3921280571669353
Energy: 0.4130530721862173
Energy: 0.4278254657232608
Energy: 0.5121186455592547
Energy: 0.4353203868372247
Energy: 0.43974901292299184
Energy: 0.4459225756644241
Energy: 0.4354207259036332
Energy: 0.44092960878672544
Energy: 0.44343711941171987
Energy: 0.4193075070499783
Energy: 0.43723660478097287
Energy: 0.46112940114126655
Energy: 0.4181201223225561
Energy: 0.45779154808958766
Energy: 0.443023047989538
Energy: 0.44667283573930827
Energy: 0.4399945493777401
Energy: 0.4431405099454972
Energy: 0.43832326100980656
Energy: 0.43706604064900645
Energy: 0.4430569885521744
Energy: 0.4177576628443193
Energy: 0.41820893522086094
Energy: 0.4433199649167754
Energy: 0.41782668116283195
Energy: 0.41831814142768964
Energy: 0.4432556261563934
Energy: 0.41863433981993287
Energy: 0.43746154839888113
Energy: 0.4438100297582952
Energy: 0.4177106454550558
Energy: 0.42406142608899094
Energy: 0.692591348996931
Energy: 0.4360742056562525
Energy: 0.4458357009268467
Energy: 0.44594149569803604
Energy: 0.4361744171736551
Energy: 0.4372951777649222
Energy: 0.6921155884289152
Energy: 0.41579202018319916
Energy: 0.39239605892526547
Energy: 0.39258890458747137
Energy: 0.4157935561255366
Energy: 0.3925057641195462
Energy: 0.6915218646852412
Energy: 0.49052451969855604
Energy: 0.4916898976143008
Energy: 0.3977115237255013
Energy: 0.4969873682853668
Energy: 0.4806599460546531
Energy: 0.630915949544671
Energy: 0.4282136869030863
Energy: 0.41274793340388627
Energy: 0.3921173668159199
Energy: 0.47987103209585374
Energy: 0.3928178225089284
Energy: 0.7478542768494465
Energy: 0.4128871426884583
Energy: 0.7095312035577771
Energy: 0.7046401555067227
Energy: 0.39332451603181223
Energy: 0.6923494651987634
Energy: 0.7522636131283277
Energy: 0.7028309852406641
Energy: 0.5802603563705487
Energy: 0.5947734339402984
Energy: 0.5838572271289766
Energy: 0.6944877380508941
Energy: 0.6252806762457734
Energy: 0.6986080697921665
Energy: 0.3935442891552275
Energy: 0.5202079600124293
Energy: 0.7003013315493215
Energy: 0.39231673412812224

minimum gb energy = 0.3921173668159199 eV
minimum distance =  2.79664161530228 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.9259999556709171
Energy: 0.9383693991093411
Energy: 0.7049976192778151
Energy: 0.7517293908630953
Energy: 0.6310691038990737
Energy: 0.9008126734220905
Energy: 0.4598607948474208
Energy: 0.485211763285147
Energy: 0.4817765894628406
Energy: 0.46485956273449225
Energy: 0.46097870031615207
Energy: 0.4858867656720607
Energy: 0.46418339565195255
Energy: 0.47276071261763336
Energy: 0.4727203166886044
Energy: 0.4699724276925089
Energy: 0.47628515721959175
Energy: 0.4775063035055958
Energy: 0.4639291466862491
Energy: 0.4844841290522888
Energy: 0.4846053970547902
Energy: 0.46471902261140874
Energy: 0.4692603761885645
Energy: 0.4715824301329216
Energy: 0.4600818673865201
Energy: 0.5261809531689045
Energy: 0.5160948376911894
Energy: 0.4600423368556184
Energy: 0.5235581880987622
Energy: 0.49978493460865403
Energy: 0.49394964142918585
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Energy: 0.4696071054226552
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Energy: 0.5572598190843783
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Energy: 0.5617376367046802
Energy: 0.5536264058590085
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Energy: 0.5621777401918119
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Energy: 0.5534358104019449
Energy: 0.5651293457647913
Energy: 0.7010086058819409
Energy: 0.6973416164131724
Energy: 0.47413414100102835
Energy: 0.6950958583193442
Energy: 0.4739179784436136
Energy: 0.8352759552149844
Energy: 0.5274358967070965
Energy: 0.553100530307084
Energy: 0.472490259679364
Energy: 0.5202585327302303
Energy: 0.5523070304373272
Energy: 0.6494043731593836
Energy: 0.6161031097029411
Energy: 0.459716033110975
Energy: 0.6331837226757554
Energy: 0.6980620417051693
Energy: 0.4576543728826116
Energy: 0.8812978224453826
Energy: 0.5098259954092931
Energy: 0.555214061675437
Energy: 0.47291271574531024
Energy: 0.4838894475215008
Energy: 0.5569187853109232
Energy: 0.8407053955466672
Energy: 0.46520781698694125
Energy: 0.5161444519037032
Energy: 0.4632655797067666
Energy: 0.4674082184530631
Energy: 0.5108375722435949
Energy: 0.5605596866370596
Energy: 0.5335210300317506
Energy: 0.6352281091199984
Energy: 0.5620492932793956
Energy: 0.671196253538728
Energy: 0.5334218560715605
Energy: 0.8351816748775241
Energy: 0.5273380521828147
Energy: 0.5272703998250792
Energy: 0.47837115110602546
Energy: 0.5523886502569489
Energy: 0.5150410223460045
Energy: 0.5752551871243423
Energy: 0.7268768137065127
Energy: 0.7262233951106603
Energy: 0.5766460466948835
Energy: 0.749793397267654
Energy: 0.5690648570146637
Energy: 0.4599178275360545
Energy: 0.525951019241832
Energy: 0.5163451741766959
Energy: 0.4604629527178088
Energy: 0.46504489302005475
Energy: 0.5116994528448404
Energy: 0.5309553730627858
Energy: 0.5690166234737694
Energy: 0.46582377473826103
Energy: 0.5317709166039057
Energy: 0.5644344242365847
Energy: 0.4625556073125725
Energy: 0.5210644770162673
Energy: 0.47142843732491857
Energy: 0.4701012879278579
Energy: 0.5218217303492533
Energy: 0.4691539889281804
Energy: 0.47441275403781746
Energy: 0.8169819196490785
Energy: 0.46932432304203636
Energy: 0.47960187488970263
Energy: 0.4642196318253026
Energy: 0.47210255591570927
Energy: 0.4695654710211999

minimum gb energy = 0.45190122559254114 eV
minimum distance =  2.76932397595858 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.8922010118952716
Energy: 0.6861640436304652
Energy: 0.5207108252656207
Energy: 0.7196333935246484
Energy: 0.686650481108098
Energy: 0.7568793032941799
Energy: 0.5727890229504421
Energy: 0.5199532203797398
Energy: 0.5244553292709295
Energy: 0.5191149215213121
Energy: 0.5012074671430651
Energy: 0.5988738035771786
Energy: 0.5857089005909102
Energy: 0.5887093429214684
Energy: 0.5030799653177311
Energy: 0.5962540367350898
Energy: 0.5022387644208332
Energy: 0.590004807666685
Energy: 0.5853807407127726
Energy: 0.5197425759095844
Energy: 0.6105289936862596
Energy: 0.5940237066978785
Energy: 0.5876695992058296
Energy: 0.5978543223627492
Energy: 0.5717427467486085
Energy: 0.5703788593535952
Energy: 0.5692710524729453
Energy: 0.5805537726498395
Energy: 0.6719858150734218
Energy: 0.5383541578929134
Energy: 0.7230748998524542
Energy: 0.6502331021630496
Energy: 0.645658695151098
Energy: 0.5937152062291284
Energy: 0.6460364479728279
Energy: 0.6453778348674923
Energy: 0.6317426279264317
Energy: 0.5776992549910283
Energy: 0.5907096138420559
Energy: 0.5939805413926217
Energy: 0.5191742700875084
Energy: 0.5909857632481591
Energy: 0.5665193032692225
Energy: 0.6335815799212952
Energy: 0.6331538822678221
Energy: 0.5347486101995472
Energy: 0.6333434218409366
Energy: 0.5370782298700838
Energy: 0.7267588086890978
Energy: 0.6072796210389558
Energy: 0.6206437343222789
Energy: 0.6132954255203298
Energy: 0.607353306622738
Energy: 0.5977181413220243
Energy: 0.706048428713852
Energy: 0.6485597119737158
Energy: 0.6337871055953679
Energy: 0.6475305687177462
Energy: 0.6483325599339161
Energy: 0.6272260102971354
Energy: 0.7066174035093772
Energy: 0.6207892638918828
Energy: 0.59747613474385
Energy: 0.6436565886235169
Energy: 0.6262812907933729
Energy: 0.584941316225493
Energy: 0.8163789167453815
Energy: 0.5368188466553883
Energy: 0.5465150244893727
Energy: 0.695344267719923
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Energy: 0.6106170627333148
Energy: 0.5798154634556519
Energy: 0.5426987126012028
Energy: 0.580255561261626
Energy: 0.5798382445836356
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Energy: 0.7030124355507926
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Energy: 0.6906466453091431
Energy: 0.6972574030551617
Energy: 0.6904587040658253
Energy: 0.584881712020321
Energy: 0.5975218853547684
Energy: 0.5748412013912965
Energy: 0.594596086980825
Energy: 0.5842254410706313
Energy: 0.6066547692864163
Energy: 0.8023325494850861
Energy: 0.5891758446907144
Energy: 0.48638224171435585
Energy: 0.7085518260435749
Energy: 0.5878910950142413
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Energy: 0.5744904751902389
Energy: 0.5686220396115915
Energy: 0.5026160209364172
Energy: 0.5836094733867951
Energy: 0.5044843999560893
Energy: 0.5833543653941902
Energy: 0.5893249862318376
Energy: 0.5942663534334569
Energy: 0.583963314293092
Energy: 0.5869292728529852
Energy: 0.5929166163606078
Energy: 0.5822609796425389
Energy: 0.5928804675746118
Energy: 0.5930687640839181
Energy: 0.5926029280873449
Energy: 0.5874305458765887
Energy: 0.5950894896244178
Energy: 0.5817028035573488
Energy: 0.573604181364672
Energy: 0.5988420812195331
Energy: 0.5818047366445674
Energy: 0.5857918471028011
Energy: 0.5995396556688061
Energy: 0.9215522623706872
Energy: 0.6403156720390162
Energy: 0.6396863934588791
Energy: 0.8230969112545004
Energy: 0.8747999283004203
Energy: 0.640133260852228
Energy: 0.7146238885720739
Energy: 0.5840326699495123
Energy: 0.6020838247733212
Energy: 0.5903044882811385
Energy: 0.5821459798142558
Energy: 0.5837358334666652
Energy: 0.5665444855576744
Energy: 0.6658526927902988
Energy: 0.6592090261364468
Energy: 0.5350368793807426
Energy: 0.6661366497652581
Energy: 0.5344297773148917
Energy: 0.7145103202431512
Energy: 0.6220106169396308
Energy: 0.5917191089040028
Energy: 0.598730718814328
Energy: 0.6422132495134084
Energy: 0.5786363272804841
Energy: 0.7067643566787672
Energy: 0.6155794467948092
Energy: 0.5812142743367487
Energy: 0.6469979933372508
Energy: 0.6116703561359896
Energy: 0.6043756195367677
Energy: 0.7062526769318297
Energy: 0.6385678085582285
Energy: 0.56052973801055
Energy: 0.6472791569571786
Energy: 0.6394292746709582
Energy: 0.5887163574310664
Energy: 0.7265858535251853
Energy: 0.5442007494075669
Energy: 0.6010624088035379
Energy: 0.6021398498703197
Energy: 0.5405014322772619
Energy: 0.6058664130504262
Energy: 0.6771502297306009
Energy: 0.759390039599952
Energy: 0.7591372556572246
Energy: 0.6390581920616316
Energy: 0.7549665242936969
Energy: 0.7589602523844239
Energy: 0.5714182966819246
Energy: 0.5255256622075462
Energy: 0.6042278862932613
Energy: 0.5885467890624518
Energy: 0.5972401721400651
Energy: 0.5285018915804155
Energy: 0.6818005497482632
Energy: 0.6880682809166468
Energy: 0.6958853649044194
Energy: 0.690632069970681
Energy: 0.680242990654908
Energy: 0.6809595683986996
Energy: 0.5836064927447069
Energy: 0.5887545015993534
Energy: 0.5078661165916213
Energy: 0.5203712220026218
Energy: 0.5024988004139057
Energy: 0.5938677401004838
Energy: 0.848891074524314
Energy: 0.5121874358968832
Energy: 0.5034218154068442
Energy: 0.7179392555716757
Energy: 0.4987876921167832
Energy: 0.5414800226174248

minimum gb energy = 0.48638224171435585 eV
minimum distance =  2.74287546243107 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.6220851671571263
Energy: 0.5695833211585442
Energy: 0.8679154650040872
Energy: 0.5659519632322806
Energy: 0.5798137876933291
Energy: 0.8670947733488886
Energy: 0.5566480612497547
Energy: 0.550330851784213
Energy: 0.5757973315454799
Energy: 0.5588593478155673
Energy: 0.5581243700502101
Energy: 0.5813007937338768
Energy: 0.5595878294300388
Energy: 0.5658995982043143
Energy: 0.5611159423603876
Energy: 0.5660315269646606
Energy: 0.5657877186798584
Energy: 0.5610164264329779
Energy: 0.5591429254502303
Energy: 0.5765660610756025
Energy: 0.5662610285208389
Energy: 0.559292739881875
Energy: 0.5649524792785718
Energy: 0.5645822962404357
Energy: 0.5544980193067263
Energy: 0.688801872425236
Energy: 0.5477880629885189
Energy: 0.5545490301988846
Energy: 0.6991447410391712
Energy: 0.5577459837893359
Energy: 0.7154554217667362
Energy: 0.7005720935502888
Energy: 0.5450568465563425
Energy: 0.5833389807242558
Energy: 0.6979886039024842
Energy: 0.7009610513983437
Energy: 0.5803682318044638
Energy: 0.5434170948359003
Energy: 0.5654923130466692
Energy: 0.5583171109884033
Energy: 0.5543315615782358
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Energy: 0.5809894991069651
Energy: 0.5603229518471508
Energy: 0.543964726054606
Energy: 0.5558045385194722
Energy: 0.560105497075247
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Energy: 0.5820708981845608
Energy: 0.543677063623765
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Energy: 0.5867105212172458
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Energy: 0.5498057587659273
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Energy: 0.5660512005635414
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Energy: 0.7153065411988648
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Energy: 0.5553554960125118
Energy: 0.5834285458290988
Energy: 0.5530691376324497
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Energy: 0.5589952769464064
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Energy: 0.700045494955554
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Energy: 0.5325525309407835
Energy: 0.7746756685738002
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Energy: 0.5450037777036809
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Energy: 0.5771562468183061
Energy: 0.5726976450888411
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Energy: 0.8643565269625738
Energy: 0.8491809797975705
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Energy: 0.5584390236640028
Energy: 0.5353945321573311
Energy: 0.9773774793351129
Energy: 0.5604562208204791
Energy: 0.5336108944518435
Energy: 0.8498521421546742
Energy: 0.7176467823016504
Energy: 0.5325605372894672

minimum gb energy = 0.529800847666766 eV
minimum distance =  2.783186576746 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.8389859275404227
Energy: 0.6127037951368763
Energy: 0.6047013092904868
Energy: 0.6039087087324613
Energy: 0.6131348300798518
Energy: 0.6039594471292375
Energy: 0.726766702725705
Energy: 0.6201331137058118
Energy: 0.6195121855343243
Energy: 0.5965237653147368
Energy: 0.6338532676673749
Energy: 0.5959361230174071
Energy: 0.6121174588036811
Energy: 0.5956971948555161
Energy: 0.6003893191268461
Energy: 0.5976804436483573
Energy: 0.5954199492058845
Energy: 0.6013173237791538
Energy: 0.611396766291769
Energy: 0.5964489863682729
Energy: 0.5966461074660308
Energy: 0.611885157442079
Energy: 0.5986590289508078
Energy: 0.5967687105229715
Energy: 0.6205426938281154
Energy: 0.5963543203796662
Energy: 0.5966831132036826
Energy: 0.6207552493912439
Energy: 0.5969282665671259
Energy: 0.5976056891148964
Energy: 0.6216928744381102
Energy: 0.6144908275283782
Energy: 0.6110295592749617
Energy: 0.622284019397162
Energy: 0.6046969993285223
Energy: 0.6231072705513737
Energy: 0.7574349051007051
Energy: 0.5967004761329572
Energy: 0.596308327195726
Energy: 0.6256965349699022
Energy: 0.6098362211396359
Energy: 0.5961921182969483

minimum gb energy = 0.5954199492058845 eV
minimum distance =  2.77023159171462 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.7649652611892165
Energy: 0.8388204190621175
Energy: 0.7660215568615575
Energy: 0.7257536718518038
Energy: 0.8378494885902195
Energy: 0.7641569184918904
Energy: 0.6643687237872594
Energy: 0.6746673959163018
Energy: 0.6679819694936373
Energy: 0.6683472779986628
Energy: 0.6727923443054249
Energy: 0.6677511023144163
Energy: 0.7215776722556723
Energy: 0.6694954183562463
Energy: 0.6700807123296538
Energy: 0.7190897772904317
Energy: 0.6681864354269159
Energy: 0.6883603097222819
Energy: 0.6685792033302239
Energy: 0.6670296997058516
Energy: 0.6669477831962614
Energy: 0.6691046108024659
Energy: 0.669065764834477
Energy: 0.6682593981356676
Energy: 0.6715659005602114
Energy: 0.6782759137213336
Energy: 0.6728547959957044
Energy: 0.6723690680925232
Energy: 0.6788624676065595
Energy: 0.6797226232524686
Energy: 0.7445746673946232
Energy: 0.6832575153405339
Energy: 0.6835671110523617
Energy: 0.6890169231039981
Energy: 0.6791923092657188
Energy: 0.6849393668975153
Energy: 0.664601818485955
Energy: 0.6818545026487622
Energy: 0.7005279338947307
Energy: 0.6577087805337479
Energy: 0.6927914684081319
Energy: 0.701000173068219
Energy: 0.7195807510965213
Energy: 0.7530640548916779
Energy: 0.7857423593225886
Energy: 0.7253558644044792
Energy: 0.7878839650034334
Energy: 0.7476819354651548
Energy: 0.6674425011421372
Energy: 0.6770000977117313
Energy: 0.6733222567309326
Energy: 0.6827706408984963
Energy: 0.6640285686152001
Energy: 0.6845879961587986
Energy: 0.7999069037640779
Energy: 0.6667422195757605
Energy: 0.7116222403863235
Energy: 0.7999218120290231
Energy: 0.6634893933389813
Energy: 0.689916395183061
Energy: 0.7420686339645661
Energy: 0.6837267790121493
Energy: 0.7259171698262665
Energy: 0.736755584739276
Energy: 0.670434023040661
Energy: 0.6809831951822833
Energy: 0.686324191554643
Energy: 0.6935976718845166
Energy: 0.6938368153045062
Energy: 0.6825549262550471
Energy: 0.6903239609639346
Energy: 0.6771380964484054
Energy: 0.6589350197020848
Energy: 0.6789745759210191
Energy: 0.6769301166352056
Energy: 0.6859042026023188
Energy: 0.6643624073564341
Energy: 0.6774163285200236
Energy: 0.6976139633793824
Energy: 0.6632896925282835
Energy: 0.6621491704965752
Energy: 0.6769043218406199
Energy: 0.6633402313709682
Energy: 0.6754198226132191
Energy: 0.893277014658154
Energy: 0.7278281396940295
Energy: 0.7462410738584858
Energy: 0.6806351573892355
Energy: 0.670296639020081
Energy: 0.6729763700391133
Energy: 0.7613929459625071
Energy: 0.6779359432772972
Energy: 0.6759928267979747
Energy: 0.7111784800667549
Energy: 0.6727436763365214
Energy: 0.677327468795915
Energy: 0.7534373995009294
Energy: 0.7020487458987275
Energy: 0.7021223578723913
Energy: 0.7535123125731404
Energy: 0.6675181295391406
Energy: 0.7154894144991945
Energy: 0.7117498187063049
Energy: 0.6914379432524631
Energy: 0.6875933686585742
Energy: 0.6816636375334739
Energy: 0.6751397987656587
Energy: 0.6856775153373766
Energy: 0.740444326646624
Energy: 0.6803759220234495
Energy: 0.6619664528869165
Energy: 0.6665060100876103
Energy: 0.7145361635140142
Energy: 0.6616974943348982
Energy: 0.7751030459986863
Energy: 0.6772939087487144
Energy: 0.6891312588038846
Energy: 0.666457440641292
Energy: 0.6820165715678824
Energy: 0.6609599058418156
Energy: 0.6626906522672129
Energy: 0.6878799216425866
Energy: 0.6948472327373676
Energy: 0.6789019107900085
Energy: 0.6831571414913631
Energy: 0.6935230604679864
Energy: 0.6701985685571669
Energy: 0.6958246958023934
Energy: 0.6889149268138193
Energy: 0.6933051688905141
Energy: 0.6963108310423278
Energy: 0.6922882817079917
Energy: 0.6702145157067376
Energy: 0.6783746308424213
Energy: 0.6819428729014919
Energy: 0.6706897208732823
Energy: 0.6649682469410517
Energy: 0.6802472176618106
Energy: 0.704961400171697
Energy: 0.7254367194818195
Energy: 0.7251970600901335
Energy: 0.7108563765747777
Energy: 0.663608561981742
Energy: 0.6938308093491029
Energy: 0.6737061700791508
Energy: 0.6955058052399515
Energy: 0.6708147499841964
Energy: 0.6750102695389968
Energy: 0.6666797576892133
Energy: 0.6763672393930888
Energy: 0.8603119257752168
Energy: 0.724691506755145
Energy: 0.7010183959063205
Energy: 0.674010746534204
Energy: 0.7172959307612835
Energy: 0.6833747257740664
Energy: 0.6585848401847598
Energy: 0.7333479049914362
Energy: 0.6914054998727814
Energy: 0.675308443720872
Energy: 0.7274363167266217
Energy: 0.6750548556409183
Energy: 0.6745188210699863
Energy: 0.6721220448948365
Energy: 0.6724114067246048
Energy: 0.6817166761246197
Energy: 0.6851470058315717
Energy: 0.6756523190221834
Energy: 0.6887006480488267
Energy: 0.6959474673646155
Energy: 0.6691552263545244
Energy: 0.6923305600700815
Energy: 0.6686383706087209
Energy: 0.6916267690905076
Energy: 0.6681288906590083
Energy: 0.6808910696589006
Energy: 0.6741280314809271
Energy: 0.6693940833045591
Energy: 0.6747300817735599
Energy: 0.6694253517231371
Energy: 0.672778093486728
Energy: 0.6977842611841012
Energy: 0.6886248419454766
Energy: 0.6941539044923637
Energy: 0.7184149746222581
Energy: 0.6869641802587214
Energy: 0.6765191887455786
Energy: 0.6891702995082697
Energy: 0.682391825764929
Energy: 0.6707259658879894
Energy: 0.6880765740625501
Energy: 0.6988484153543539
Energy: 0.8053188201120213
Energy: 0.706778918618712
Energy: 0.7077319660520466
Energy: 0.6625033979967737
Energy: 0.705488369621436
Energy: 0.6704042290130333
Energy: 0.6792043845725232
Energy: 0.6945184849022238
Energy: 0.6919430961517337
Energy: 0.6600444547707953
Energy: 0.6871149591417788
Energy: 0.6928328326552411
Energy: 0.6939235547872431
Energy: 0.6931076239618792
Energy: 0.6802762060510115
Energy: 0.6873318860126612
Energy: 0.677749247966015
Energy: 0.687869057050386
Energy: 0.6859823679101767
Energy: 0.667193155361079
Energy: 0.6727600156482723
Energy: 0.6860581339109124
Energy: 0.6743960444084544
Energy: 0.6808072338588644
Energy: 0.6991766173469971
Energy: 0.6889400568053498
Energy: 0.6903776167622424
Energy: 0.7088078966681768
Energy: 0.6639317979883281
Energy: 0.6892863613490533
Energy: 0.8396752195257818
Energy: 0.6987545918457533
Energy: 0.6990694811606579
Energy: 0.67863179528903
Energy: 0.6989934272419436
Energy: 0.7235232432968299
Energy: 0.7011000364794395
Energy: 0.6612922745225691
Energy: 0.6620122214006474
Energy: 0.704231317381675
Energy: 0.6640488930720553
Energy: 0.6913815533825328
Energy: 0.7454038731843042
Energy: 0.6676307070305124
Energy: 0.6684037039798687
Energy: 0.677742897472497
Energy: 0.6681544653146207
Energy: 0.6668126503090266
Energy: 0.75224286388561
Energy: 0.6620178193632426
Energy: 0.6617089134020276
Energy: 0.6956791996716419
Energy: 0.7203653606303924
Energy: 0.6613935461893868
Energy: 0.7513158632308637
Energy: 0.695048222377469
Energy: 0.7347197090390407
Energy: 0.7130752331984184
Energy: 0.6764446519468781
Energy: 0.6763036761220172
Energy: 0.8623245846496875
Energy: 0.6714920761644839
Energy: 0.689332322626531
Energy: 0.8328899668281308
Energy: 0.6889568112398603
Energy: 0.6979652622160109
Energy: 0.7005186424284958
Energy: 0.6785605887386827
Energy: 0.6613128945978263
Energy: 0.6753692955044333
Energy: 0.6616560887344767
Energy: 0.6680966140052677
Energy: 0.9540613228020577
Energy: 0.7033522176616648
Energy: 0.738914360906123
Energy: 0.7305043896516571
Energy: 0.7034634359703039
Energy: 0.7388698205466069
Energy: 0.6674056422153547
Energy: 0.6713554618379537
Energy: 0.670723768158294
Energy: 0.6621950808801879
Energy: 0.6665192902013748
Energy: 0.6723947042560728
Energy: 0.662989356966748
Energy: 0.690088556765188
Energy: 0.6895606289116384
Energy: 0.6913116094397923
Energy: 0.6907312277646471
Energy: 0.6894849331652899
Energy: 0.6590167318299418
Energy: 0.6895939568999148
Energy: 0.6911576332330331
Energy: 0.6621979274765804
Energy: 0.6677429489772947
Energy: 0.6910376197353658
Energy: 0.6915951951013769
Energy: 0.6612064366168956
Energy: 0.6669025684579345
Energy: 0.6922802094850712
Energy: 0.6625575775711858
Energy: 0.6678619868581779
Energy: 0.7226036754351904
Energy: 0.6643778627119353
Energy: 0.6639147073720841
Energy: 0.7099658969276753
Energy: 0.6631878188047781
Energy: 0.6672507837023988
Energy: 0.6646206457382253
Energy: 0.6846837058863137
Energy: 0.6882864833243997
Energy: 0.6889128072836096
Energy: 0.7070137072091692
Energy: 0.6712342276063505

minimum gb energy = 0.6577087805337479 eV
minimum distance =  2.70559787051825 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.1199066062706702
Energy: 0.7413658304700492
Energy: 0.6536669889600862
Energy: 0.653753006814002
Energy: 0.7416636662193768
Energy: 0.6546433949180523
Energy: 0.7115869495262772
Energy: 0.6604580138915549
Energy: 0.6601712865750776
Energy: 0.6788521970999075
Energy: 0.6594204471857628
Energy: 0.6643286307598735
Energy: 0.6761725718112193
Energy: 0.655437717347065
Energy: 0.6556941269593464
Energy: 0.7199261638122321
Energy: 0.6556729527670196
Energy: 0.6758037141307115
Energy: 0.6613143299601418
Energy: 0.6571615802629509
Energy: 0.6763425657591888
Energy: 0.66126553496217
Energy: 0.658648353690463
Energy: 0.6761164243419494
Energy: 0.6621411660673209
Energy: 0.6556678844438157
Energy: 0.6590734424575442
Energy: 0.6620275271099303
Energy: 0.6554829927825158
Energy: 0.6586922511563225
Energy: 0.709429594360242
Energy: 0.6555913618490732
Energy: 0.6616899111187059
Energy: 0.7092345723157064
Energy: 0.6556819504361524
Energy: 0.6610638307091136
Energy: 0.6700116829265728
Energy: 0.6590733201314644
Energy: 0.6637460267129464
Energy: 0.6956103685211936
Energy: 0.6448584457001163
Energy: 0.6966991797558771
Energy: 0.6669583778327467
Energy: 0.8014332352451964
Energy: 0.7309015244386444
Energy: 0.6380441380435883
Energy: 0.7418074020026612
Energy: 0.7286760182388659
Energy: 0.6536032952565677
Energy: 0.6629648215228798
Energy: 0.6642984335103772
Energy: 0.6594444534383243
Energy: 0.6450391440962288
Energy: 0.6430232865516601
Energy: 0.6731349329263817
Energy: 0.6013322218576419
Energy: 0.6015323265036315
Energy: 0.6759133976216829
Energy: 0.6012671458493739
Energy: 0.6023151884250287
Energy: 0.6558427078566887
Energy: 0.6170664028103746
Energy: 0.6166940478257678
Energy: 0.6474066080067269
Energy: 0.6359910952741187
Energy: 0.6580160497231496
Energy: 0.6618552650069036
Energy: 0.6588892876031915
Energy: 0.6636904140264425
Energy: 0.6629564277900238
Energy: 0.6587835345147193
Energy: 0.6638644779491049
Energy: 0.6623787855861983
Energy: 0.6885546492613244
Energy: 0.6904543315224329
Energy: 0.6561647596123523
Energy: 0.6899963130603199
Energy: 0.6577157710946457
Energy: 0.6540428035095379
Energy: 0.6808692743348459
Energy: 0.678199987360087
Energy: 0.6462350896312936
Energy: 0.6496355602939009
Energy: 0.6760429473940687
Energy: 0.6742379847637365
Energy: 0.6792526468947966
Energy: 0.6796465718515744
Energy: 0.6713133784450523
Energy: 0.6796960151527791
Energy: 0.6689571263852248
Energy: 0.6774108886841954
Energy: 0.7020749080784401
Energy: 0.7011564542144947
Energy: 0.654696382655164
Energy: 0.6742998788358459
Energy: 0.674383397699085
Energy: 0.7537654634727049
Energy: 0.646073820549838
Energy: 0.6367359180287337
Energy: 0.7561206627437008
Energy: 0.6477204372896731
Energy: 0.7213953387807353
Energy: 0.6525759174613565
Energy: 0.6914439553771048
Energy: 0.6699094708520371
Energy: 0.6492828995443435
Energy: 0.683885603049782
Energy: 0.6686099540145792
Energy: 0.6166532684812777
Energy: 0.658358095699798
Energy: 0.6148419988467895
Energy: 0.6365323461790974
Energy: 0.7023807018396726
Energy: 0.6018102682796506
Energy: 0.6165247226822408
Energy: 0.654201033490476
Energy: 0.601862392082425
Energy: 0.601844683074956
Energy: 0.666107897576547
Energy: 0.6020583780545855
Energy: 0.6525242336304716
Energy: 0.6608984627248474
Energy: 0.6691064107969071
Energy: 0.6763912740286107
Energy: 0.6575041191850722
Energy: 0.6728092841666525
Energy: 0.674199672869121
Energy: 0.6601276607098877
Energy: 0.6863163453460616
Energy: 0.6881367565643383
Energy: 0.65556135557974
Energy: 0.6863258928945973
Energy: 0.669700755581024
Energy: 0.6778264069933562
Energy: 0.679594839650096
Energy: 0.6525390017216551
Energy: 0.6742826985893656
Energy: 0.6715849504828209
Energy: 0.6676263465212847
Energy: 0.667239798512501
Energy: 0.6674395703860133
Energy: 0.677272129882393
Energy: 0.680565834695119
Energy: 0.6676243941684586
Energy: 0.6683182914917885
Energy: 0.6851409748042687
Energy: 0.6778506755646064
Energy: 0.6463151763351662
Energy: 0.6636654214223898
Energy: 0.6783264482579805
Energy: 0.6664714865460935
Energy: 0.7331042506031926
Energy: 0.7023815908455497
Energy: 0.6426365580449964
Energy: 0.7792173549720275
Energy: 0.7056244974190174
Energy: 0.6686725095851306
Energy: 0.6589221612467182
Energy: 0.657552871137246
Energy: 0.675098584110405
Energy: 0.6592415799307991
Energy: 0.6648223756355426
Energy: 0.6471728554625662
Energy: 0.6330097066807621
Energy: 0.6578176676725163
Energy: 0.6642164438805265
Energy: 0.6108815292225777
Energy: 0.6575892364659234
Energy: 0.6586356017139211
Energy: 0.604386346364003
Energy: 0.6033496280761785
Energy: 0.6695884575026206
Energy: 0.6014017959467932
Energy: 0.6044623375382708
Energy: 0.6612447795084195
Energy: 0.6587469895125048
Energy: 0.663487736008401
Energy: 0.6596135845133847
Energy: 0.6603376804069859
Energy: 0.6581133199461503
Energy: 0.6621544128767877
Energy: 0.7105012088051532
Energy: 0.6579462644591736
Energy: 0.6549228592485805
Energy: 0.6927009238366294
Energy: 0.6585811930510466
Energy: 0.6631273060136528
Energy: 0.6426642156468103
Energy: 0.6636026556197995
Energy: 0.668262697499851
Energy: 0.6424168829824627
Energy: 0.6575247559197901
Energy: 0.6629165926344502
Energy: 0.6531737386795575
Energy: 0.653207679825871
Energy: 0.6590370069926399
Energy: 0.653664442226303
Energy: 0.6531219395892612
Energy: 0.6643493345213514
Energy: 0.6603733098967742
Energy: 0.6605042139124442
Energy: 0.6603852302255444
Energy: 0.7131298051989327
Energy: 0.660292455553814
Energy: 0.673524047928364
Energy: 0.6873613332252181
Energy: 0.6810455141455272
Energy: 0.6642178177451243
Energy: 0.648605266420868
Energy: 0.6773583523888639
Energy: 0.8008964220859978
Energy: 0.6471309061497383
Energy: 0.646885242137308
Energy: 0.8010703302615805
Energy: 0.6425482054753987
Energy: 0.7169331690726503
Energy: 0.7117699554963829
Energy: 0.659687201764848
Energy: 0.6599336530307418
Energy: 0.6727326508078766
Energy: 0.6593787768187526
Energy: 0.6755457339888198
Energy: 0.6370226226777369
Energy: 0.6888626514436105
Energy: 0.6535438989008118
Energy: 0.6524333549643456
Energy: 0.6882143589860157
Energy: 0.7234450038286465

minimum gb energy = 0.6012671458493739 eV
minimum distance =  2.7038945819109 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.1331453863249539
Energy: 0.8102444143552158
Energy: 0.6837211602030839
Energy: 0.729133771390723
Energy: 0.8103173190764911
Energy: 0.7290546279982477
Energy: 0.662245362182703
Energy: 0.6602190723123932
Energy: 0.6590631556881601
Energy: 0.6757431066904074
Energy: 0.6472561668283545
Energy: 0.6678002896761748
Energy: 0.7110360598346929
Energy: 0.6597344081039277
Energy: 0.6546976447725303
Energy: 0.8102159195043048
Energy: 0.6598189740791612
Energy: 0.6635771464567665
Energy: 0.6628868254913727
Energy: 0.6545643332728269
Energy: 0.6628428552020104
Energy: 0.6628786893855197
Energy: 0.6562471746944031
Energy: 0.6629884881377294
Energy: 0.6537739209426026
Energy: 0.6610578362531082
Energy: 0.6612668178255041
Energy: 0.6536983992143108
Energy: 0.6552408851333528
Energy: 0.6552293773949974
Energy: 0.6545448689091772
Energy: 0.656376945811412
Energy: 0.6577067759290071
Energy: 0.6628672759113258
Energy: 0.6576718710901496
Energy: 0.6578744822176588
Energy: 0.6531041834352498
Energy: 0.6571376989472545
Energy: 0.6575611535807027
Energy: 0.6550462807445278
Energy: 0.6573600640738506
Energy: 0.6628168140231352
Energy: 0.7122407942013645
Energy: 0.6650461098130813
Energy: 0.665032274102319
Energy: 0.6493984298359656
Energy: 0.6652645100573186
Energy: 0.7298208515801398
Energy: 0.6505567251266521
Energy: 0.6752587640750555
Energy: 0.6751652214577623
Energy: 0.6556564105584206
Energy: 0.6890789873895456
Energy: 0.6657339665186155
Energy: 0.7715837222120896
Energy: 0.6625653768657558
Energy: 0.6623476399767411
Energy: 0.8203624060853357
Energy: 0.6627863467871871
Energy: 0.6901495210341686
Energy: 0.6463958464914322
Energy: 0.7101210401055781
Energy: 0.6549177757162887
Energy: 0.6606650128830523
Energy: 0.6720083141284843
Energy: 0.6571792163267529
Energy: 0.6558643805551027
Energy: 0.6634422125020142
Energy: 0.6628149676846948
Energy: 0.6366016928186342
Energy: 0.6633204841956433
Energy: 0.6632566381335422
Energy: 0.6578829806159506
Energy: 0.6634266553147566
Energy: 0.6638182444327976
Energy: 0.6596899867423942
Energy: 0.6638895050542004
Energy: 0.6635501045695692
Energy: 0.6463377125971915
Energy: 0.662773079041364
Energy: 0.6583231399439247
Energy: 0.6605420427410819
Energy: 0.6643564093387878
Energy: 0.6574902138769527
Energy: 0.6468927342262017
Energy: 0.6596148791874875
Energy: 0.659674206393024
Energy: 0.6592872474750829
Energy: 0.6486576094445522
Energy: 0.6592920471440379
Energy: 0.6629014692413919
Energy: 0.6701464738540353
Energy: 0.6563156228283228
Energy: 0.6628793143045535
Energy: 0.6582146612928556
Energy: 0.6460588003733464
Energy: 0.6558504821896006
Energy: 0.6525882032033091
Energy: 0.652791007566112
Energy: 0.6522608566018055
Energy: 0.6583420554430167
Energy: 0.6572994751989355
Energy: 0.655606236517511
Energy: 0.6561389404804958
Energy: 0.6562387983299377
Energy: 0.6612456499675884
Energy: 0.6531299180965653
Energy: 0.6612756632093422
Energy: 0.7292174771065315
Energy: 0.6571710490721535
Energy: 0.6570507964843791
Energy: 0.7215762356496153
Energy: 0.6570850232695103
Energy: 0.6621245174064929
Energy: 0.7301304589107538
Energy: 0.6570313048511814
Energy: 0.6566561111848849
Energy: 0.6623133689073689
Energy: 0.6618388291264105
Energy: 0.6622845116422186
Energy: 0.6555284688617818
Energy: 0.6720425002857556
Energy: 0.658460202379257
Energy: 0.6559849717781295
Energy: 0.6530739712715152
Energy: 0.6636875629034703
Energy: 0.7119970411942467
Energy: 0.6641042147364075
Energy: 0.7339657460953527
Energy: 0.712194884096341
Energy: 0.6620743217301603
Energy: 0.7474570392362373
Energy: 0.6984536700880474
Energy: 0.6585464848341464
Energy: 0.6582857728148994
Energy: 0.6621310025856859
Energy: 0.6589653580016385
Energy: 0.6721728160703395
Energy: 0.7430741032170559
Energy: 0.6576413466075611
Energy: 0.6520437010688624
Energy: 0.6595740490173015
Energy: 0.6556388437327701
Energy: 0.6515721148951872
Energy: 0.7076189528528385
Energy: 0.6504076760212288
Energy: 0.6567587304287653
Energy: 0.666718193680387
Energy: 0.650482667401581
Energy: 0.6568121056302678
Energy: 0.7002367198651531
Energy: 0.658957830191992
Energy: 0.659315820872861
Energy: 0.6578065356935371
Energy: 0.6463084879829051
Energy: 0.6591824977575312
Energy: 0.699881971346721
Energy: 0.6548258613090501
Energy: 0.6585920962411524
Energy: 0.7049235205689387
Energy: 0.6592193989604022
Energy: 0.6530801446913186
Energy: 0.6955187382115103
Energy: 0.6584972456146949
Energy: 0.701674365666435
Energy: 0.6627969868245853
Energy: 0.6516945716854983
Energy: 0.6631771478544324
Energy: 0.6803831517646044
Energy: 0.6626844290831062
Energy: 0.6628612099962619
Energy: 0.6814309738414026
Energy: 0.6532168870574111
Energy: 0.6629075447654211
Energy: 0.7042320536633937
Energy: 0.660508175523699
Energy: 0.6669862926460374
Energy: 0.6753331299611531
Energy: 0.6495723327073755
Energy: 0.6663747372332524
Energy: 0.7211171433085768
Energy: 0.7357352282467252
Energy: 0.6838351502704931
Energy: 0.6629844963106781
Energy: 0.7347132541553009
Energy: 0.6497269362963775

minimum gb energy = 0.6366016928186342 eV
minimum distance =  2.71435402166734 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.7700926275658743
Energy: 0.8319076398662997
Energy: 0.6858948963885666
Energy: 0.6833244805559672
Energy: 0.8318019938675512
Energy: 0.6861101856144836
Energy: 0.7762896163533111
Energy: 0.6738258762370732
Energy: 0.672084349167216
Energy: 0.667661499695636
Energy: 0.6691302856785767
Energy: 0.6488013073162269
Energy: 0.6458901444386086
Energy: 0.6047061662259553
Energy: 0.6047019823131922
Energy: 0.6453628884109179
Energy: 0.6045317722525754
Energy: 0.6088385619079404
Energy: 0.6432007397499416
Energy: 0.60456981842597
Energy: 0.6038169592786476
Energy: 0.6430549199498725
Energy: 0.6061323286957522
Energy: 0.6430485608967023
Energy: 0.64420932885353
Energy: 0.6321056719271657
Energy: 0.6357903126501218
Energy: 0.6441817498655045
Energy: 0.6359190297491997
Energy: 0.6460590766632713
Energy: 0.6014398257190557
Energy: 0.6452920829743745
Energy: 0.6452641019487543
Energy: 0.6311704818674264
Energy: 0.6311536264781031
Energy: 0.6453205396367387
Energy: 0.6504576278251749
Energy: 0.6640738854684936
Energy: 0.6442813503326082
Energy: 0.6370779015563328
Energy: 0.6644159019740398
Energy: 0.6430055228699588
Energy: 0.6411460674691254
Energy: 0.6463179281724023
Energy: 0.6516827587494624
Energy: 0.6312562884583053
Energy: 0.6846698887550225
Energy: 0.6485924789274943
Energy: 0.6498675249731447
Energy: 0.6736190263817458
Energy: 0.6904172678339947
Energy: 0.6500932045122592
Energy: 0.6728083855936892
Energy: 0.6731736290974597
Energy: 0.7693279124802204
Energy: 0.6634618457712752
Energy: 0.6629802563727779
Energy: 0.7704162123365306
Energy: 0.6667992358242788
Energy: 0.6593537143318494
Energy: 0.6710891316726514
Energy: 0.6667433471533585
Energy: 0.6481079117918884
Energy: 0.6877708202948706
Energy: 0.652788593136892
Energy: 0.6660050011240408
Energy: 0.600591758261333
Energy: 0.6719338095609751
Energy: 0.6488941777309454
Energy: 0.6011743788751235
Energy: 0.6879849257781961
Energy: 0.7027969846547665
Energy: 0.6112272935064751
Energy: 0.6981030152283695
Energy: 0.6791176165541655
Energy: 0.6786896522550776
Energy: 0.6940421784198146
Energy: 0.6785387095906024
Energy: 0.6721977500995874
Energy: 0.6401192494526442
Energy: 0.6501599758189871
Energy: 0.6695845812755722
Energy: 0.6505121092149713
Energy: 0.6480166254850702
Energy: 0.6438948091606497
Energy: 0.6082711301331197
Energy: 0.6886681020781509
Energy: 0.6482159744041724
Energy: 0.6080733058053575
Energy: 0.6874031618917372
Energy: 0.6426630642914513
Energy: 0.6330757756099972
Energy: 0.6315000991018505
Energy: 0.6435727050277287
Energy: 0.6384577115256975
Energy: 0.6315020764941934
Energy: 0.644003506765581
Energy: 0.6452985690742696
Energy: 0.6453863653508652
Energy: 0.6311101927905403
Energy: 0.6453422112513275
Energy: 0.646145676108548
Energy: 0.643835679682612
Energy: 0.6348002043417724
Energy: 0.6329789267160186
Energy: 0.6457580084610339
Energy: 0.6442258090425357
Energy: 0.6455588815082525
Energy: 0.6510980037690155
Energy: 0.6429178301549765
Energy: 0.6430409251369974
Energy: 0.6339233533036683
Energy: 0.6433487588621565
Energy: 0.6484335913819274
Energy: 0.6510099222564413
Energy: 0.648571232134405
Energy: 0.6659336827711825
Energy: 0.6336290750415929
Energy: 0.6487047098943222
Energy: 0.6481182414416686
Energy: 0.6502953300100001
Energy: 0.6735168396773911
Energy: 0.649731909935451
Energy: 0.6509699883018725
Energy: 0.6724468907632591
Energy: 0.647269888391278
Energy: 0.7716095411724616
Energy: 0.6422091081204423
Energy: 0.7132481778794552
Energy: 0.7717217325339347
Energy: 0.6414580095498903
Energy: 0.7135767394880543
Energy: 0.6731682733280643
Energy: 0.673589822868732
Energy: 0.6731659150440651
Energy: 0.6685043869870413
Energy: 0.6675488210547122
Energy: 0.6725496055714608
Energy: 0.6113039828459236
Energy: 0.6485883594923699
Energy: 0.679303291975555
Energy: 0.6786254712744304
Energy: 0.7036503915730828
Energy: 0.6785364834464712

minimum gb energy = 0.600591758261333 eV
minimum distance =  2.67835036909805 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.9937320870769414
Energy: 0.8292007385792839
Energy: 0.7384010072020545
Energy: 0.6162439803388506
Energy: 0.8284277280449343
Energy: 0.6145395546052567
Energy: 0.6440786053260115
Energy: 0.6537811368575599
Energy: 0.6537045510658286
Energy: 0.6540243107817107
Energy: 0.6534221466402185
Energy: 0.6222038136482303
Energy: 0.7996835876282634
Energy: 0.5918494837125234
Energy: 0.5910995795861986
Energy: 0.6527608966246156
Energy: 0.5923359080112177
Energy: 0.5911851950165605
Energy: 0.6526890606643878
Energy: 0.5917050731611818
Energy: 0.5918221449571056
Energy: 0.6527693966455289
Energy: 0.5837423297895935
Energy: 0.6530429166095266
Energy: 0.5826657954117669
Energy: 0.5888811963407231
Energy: 0.5866826232522091
Energy: 0.5830421403820225
Energy: 0.5886102036583205
Energy: 0.587804302246078
Energy: 0.5916546334897561
Energy: 0.5876776621831129
Energy: 0.5863736435741163
Energy: 0.5708368742248081
Energy: 0.5763520454333265
Energy: 0.5707126182356057
Energy: 0.5825621748655465
Energy: 0.5756613044502579
Energy: 0.5756931291170507
Energy: 0.5874185475603233
Energy: 0.5759994667557363
Energy: 0.578982610099113
Energy: 0.5763296899305164
Energy: 0.5885986905993137
Energy: 0.5884972904889967
Energy: 0.5737005047919476
Energy: 0.5885241864085209
Energy: 0.5880211278519772
Energy: 0.5771948141509414
Energy: 0.5757407023180963
Energy: 0.5773364853652486
Energy: 0.5756906484196316
Energy: 0.575728359396968
Energy: 0.5760212363695377
Energy: 0.5764491967728694
Energy: 0.5879655389036728
Energy: 0.5863223504407403
Energy: 0.5763421481089711
Energy: 0.5875161821004548
Energy: 0.5871568300901783
Energy: 0.6678704909831245
Energy: 0.5769291030029509
Energy: 0.5874223015292904
Energy: 0.5882895548630578
Energy: 0.6529485655004944
Energy: 0.587774871359099
Energy: 0.6510565020565328
Energy: 0.6530309221792189
Energy: 0.6529984979666263
Energy: 0.5932818915270848
Energy: 0.6530614142748972
Energy: 0.6528613317030454
Energy: 0.6510072373888515
Energy: 0.6539998234697688
Energy: 0.6537899462019023
Energy: 0.5873249980090355
Energy: 0.6531402932317439
Energy: 0.6539379467988108
Energy: 0.6600122047947798
Energy: 0.6531241314480367
Energy: 0.6530515399529817
Energy: 0.6536555642548447
Energy: 0.6530468832659363
Energy: 0.5931404241935828
Energy: 0.8059966794583596
Energy: 0.6513837041066368
Energy: 0.659849395797094
Energy: 0.8057727644518851
Energy: 0.6509902883336678
Energy: 0.6551962636704052
Energy: 0.7984984823130953
Energy: 0.6550685687276593
Energy: 0.6139543175106528
Energy: 0.653678254955398
Energy: 0.6610467836229627
Energy: 0.6525860759676796
Energy: 0.64249518049099
Energy: 0.6599984890118796
Energy: 0.7120581127241611
Energy: 0.590469588365317
Energy: 0.6597078687410747
Energy: 0.71201024292578

minimum gb energy = 0.5707126182356057 eV
minimum distance =  2.70551039666478 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.0449464054416329
Energy: 0.7690215428298055
Energy: 0.5896963974518322
Energy: 0.5888553057012897
Energy: 0.7688845739292405
Energy: 0.5882946038170473
Energy: 0.6964315762884601
Energy: 0.6268028212428053
Energy: 0.5524196997542691
Energy: 0.626876991909376
Energy: 0.6295883271095926
Energy: 0.5370191200201524
Energy: 0.7490369815103455
Energy: 0.5292483869839777
Energy: 0.5479689770286504
Energy: 0.6272090084671701
Energy: 0.5294650120950966
Energy: 0.5707297792932928
Energy: 0.6291530751353872
Energy: 0.5462960718633314
Energy: 0.5594589766062579
Energy: 0.6298326897403247
Energy: 0.5387680170090882
Energy: 0.5700514387977405
Energy: 0.554200322598804
Energy: 0.5536069840084349
Energy: 0.5531302845395268
Energy: 0.5617427772833727
Energy: 0.5530135353109488
Energy: 0.5378242264544915
Energy: 0.5702673097608117
Energy: 0.5479241232226649
Energy: 0.5285562422999953
Energy: 0.5289732945416226
Energy: 0.5477802982674761
Energy: 0.5288690111342771
Energy: 0.517991444354728
Energy: 0.5477641269302478
Energy: 0.5478091854355289
Energy: 0.5234809776304011
Energy: 0.5519098026588357
Energy: 0.5245334224394671
Energy: 0.5989555236103755
Energy: 0.5125445985466373
Energy: 0.5192825949453652
Energy: 0.5200704409809215
Energy: 0.5130712634165293
Energy: 0.5200712171449359
Energy: 0.5177199375757635
Energy: 0.5184683793526091
Energy: 0.5236236827299358
Energy: 0.5184808990977064
Energy: 0.5253079528125114
Energy: 0.5171383197036736
Energy: 0.5170148125097359
Energy: 0.51639480615241
Energy: 0.516584802630372
Energy: 0.5169351791473329
Energy: 0.5255636372256628
Energy: 0.5164226340775314
Energy: 0.5171830200408581
Energy: 0.5167937445930465
Energy: 0.5152763158136043
Energy: 0.5174648324137446
Energy: 0.5168970000714368
Energy: 0.5151758693411582
Energy: 0.5190702920229747
Energy: 0.5168720208265427
Energy: 0.5169319633924677
Energy: 0.5246416245749228
Energy: 0.5194836253109197
Energy: 0.5238949466997198
Energy: 0.5481948170763516
Energy: 0.5185551005822202
Energy: 0.5181841702968054
Energy: 0.5186262863443281
Energy: 0.5186863170341197
Energy: 0.518119338472222
Energy: 0.5480512582497874
Energy: 0.5324443919591879
Energy: 0.5324243298343503
Energy: 0.5483550636315937
Energy: 0.5332817023571674
Energy: 0.547629710188191
Energy: 0.5470592353206813
Energy: 0.5224678669938829
Energy: 0.5228642426966916
Energy: 0.5468270232592846
Energy: 0.5198014866725125
Energy: 0.5491792310684896
Energy: 0.6907556118626857
Energy: 0.5641427659302617
Energy: 0.5371797494732605
Energy: 0.5527291231946394
Energy: 0.5517963590234138
Energy: 0.5529046403392615
Energy: 0.5162597575277355
Energy: 0.6266365982952983
Energy: 0.6267705109751404
Energy: 0.5597453703550131
Energy: 0.6265363665173433
Energy: 0.5493192657209913
Energy: 0.5540755427899096
Energy: 0.6270794654240365
Energy: 0.6159540619830367
Energy: 0.5587815841635306
Energy: 0.6267384273966404
Energy: 0.5524877878557911
Energy: 0.6954167346557253
Energy: 0.6268188895402084
Energy: 0.5865997444302263
Energy: 0.6273960630318384
Energy: 0.5629515298445568
Energy: 0.552445674724965
Energy: 0.8073716548729213
Energy: 0.5535949132985826
Energy: 0.5539385056888755
Energy: 0.7517134354255129
Energy: 0.5532950254287491
Energy: 0.6288350688561647
Energy: 0.700270864580019
Energy: 0.6268096598075209
Energy: 0.6276592597411396
Energy: 0.6282499853134028
Energy: 0.6285973480352695
Energy: 0.6270221074618793
Energy: 0.5224338903697732
Energy: 0.6204633967378715
Energy: 0.6819489304057866
Energy: 0.5496144970122521
Energy: 0.6276753214857518
Energy: 0.5700519268863821
Energy: 0.6715533022972272
Energy: 0.6270251988985132
Energy: 0.6162723723898165
Energy: 0.5452188276031487
Energy: 0.6271549834012525
Energy: 0.6813542348450918
Energy: 0.7497015333415966
Energy: 0.5654411089405971
Energy: 0.6151047505206519
Energy: 0.6277575391382572
Energy: 0.5440607187334758
Energy: 0.6273566085201612
Energy: 0.627082848691102
Energy: 0.5294078582417817
Energy: 0.5683753050105839
Energy: 0.6272796278428638
Energy: 0.5295808477253274
Energy: 0.5607379137189757
Energy: 0.648805761896808
Energy: 0.5528144306895254
Energy: 0.5528132875849752
Energy: 0.6493959396018562
Energy: 0.5520354361241538
Energy: 0.5905426746497798
Energy: 0.5705314723217723
Energy: 0.551989704686328
Energy: 0.5490580382707687
Energy: 0.5289034115974821
Energy: 0.551708144116214
Energy: 0.5286180537677343
Energy: 0.547200708899058
Energy: 0.5476852175967245
Energy: 0.547884088335884
Energy: 0.5477182467221338
Energy: 0.5494158978849868
Energy: 0.5479818940874069
Energy: 0.6001774199617634
Energy: 0.5226005428773004
Energy: 0.5223844531004073
Energy: 0.5253103894703429
Energy: 0.5479223529610902
Energy: 0.5223094391425162
Energy: 0.5162573184218198
Energy: 0.5123778610052835
Energy: 0.5183878644895223
Energy: 0.5169875239647618
Energy: 0.512797645569133
Energy: 0.519574702262306
Energy: 0.5207008855093214
Energy: 0.5164481313326078
Energy: 0.5199324935244678
Energy: 0.5214404719299139
Energy: 0.5163809248938188
Energy: 0.5238373755470951
Energy: 0.5175722800128061
Energy: 0.5164213982540687
Energy: 0.5160488878501214
Energy: 0.5244527287444959
Energy: 0.5165227785469833
Energy: 0.5215086820150493
Energy: 0.5236949833136267
Energy: 0.5168620200590404
Energy: 0.5169027186575232
Energy: 0.5238641528129121
Energy: 0.5177427778853939
Energy: 0.5168551089667538
Energy: 0.5493349427675913
Energy: 0.5184704499491688
Energy: 0.5238830491651615
Energy: 0.5189826628666354
Energy: 0.5198402751521185
Energy: 0.5239382946517406
Energy: 0.547375343709483
Energy: 0.5267919641897424
Energy: 0.5265778832470217
Energy: 0.5474287738621937
Energy: 0.5276868433564236
Energy: 0.5241567999612362
Energy: 0.547333702993779
Energy: 0.5217703376251109
Energy: 0.5369559772743862
Energy: 0.5474231798654036
Energy: 0.521761895613517
Energy: 0.552047951840844
Energy: 0.6903287457022267
Energy: 0.5471404839240903
Energy: 0.536974226309454
Energy: 0.5557975787627082
Energy: 0.5631978416866945
Energy: 0.5382212441539844
Energy: 0.5970872315961194
Energy: 0.6265015343647864
Energy: 0.6266478395479843
Energy: 0.5626065153367177
Energy: 0.6290120698089874
Energy: 0.5521412339075312
Energy: 0.5531786721582438
Energy: 0.6166551995294532
Energy: 0.5530153514779839
Energy: 0.5384404952724633
Energy: 0.6275141799263315
Energy: 0.5526116096120701
Energy: 0.6912416128984813
Energy: 0.6265521726859454
Energy: 0.6270907986888827
Energy: 0.5593074603298585
Energy: 0.6313008212942318
Energy: 0.589133652258911
Energy: 0.6964560117113667
Energy: 0.5542946419299118
Energy: 0.6149781250258055
Energy: 0.6277902542987438
Energy: 0.5535985576931637
Energy: 0.6259306088174033
Energy: 0.7492208432493964
Energy: 0.5743667718788543
Energy: 0.6141340475328362
Energy: 0.6286525597705394
Energy: 0.5631751180661623
Energy: 0.62704623749245
Energy: 0.6039958881957259
Energy: 0.6274292654827994
Energy: 0.6162845975262007
Energy: 0.5443493119834552
Energy: 0.6273461236002293
Energy: 0.6098845082021864

minimum gb energy = 0.5123778610052835 eV
minimum distance =  2.69027438535606 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.5915863324272986
Energy: 0.7120203998302209
Energy: 0.5414202024487134
Energy: 0.511976103872919
Energy: 0.7121050178658713
Energy: 0.5423195842311747
Energy: 0.6478134162464237
Energy: 0.6008412258094018
Energy: 0.5010006248846198
Energy: 0.6026431167609233
Energy: 0.5982564397916915
Energy: 0.5116276633133541
Energy: 0.7006306595862066
Energy: 0.4901592748944779
Energy: 0.49016697477431403
Energy: 0.6018117209592941
Energy: 0.4897794388572552
Energy: 0.5188802701926907
Energy: 0.5983128378757385
Energy: 0.48977455505872575
Energy: 0.5336487221858044
Energy: 0.5991502414842627
Energy: 0.5307982867235499
Energy: 0.5464462437633244
Energy: 0.5513239351800527
Energy: 0.521518853078231
Energy: 0.5226270708858385
Energy: 0.5888122424182948
Energy: 0.5205519870438905
Energy: 0.5112254455821543
Energy: 0.49663531729232524
Energy: 0.5226120650862378
Energy: 0.4888082168908865
Energy: 0.4715845870671457
Energy: 0.5225093876533508
Energy: 0.48910148045039986
Energy: 0.6360697875931935
Energy: 0.5269944175147108
Energy: 0.5222566238532189
Energy: 0.48821364570738696
Energy: 0.524444049340246
Energy: 0.48827103450498505
Energy: 0.6280132380565951
Energy: 0.47072004519895955
Energy: 0.470546905998691
Energy: 0.4812659664083876
Energy: 0.4709772352006921
Energy: 0.4796169650943338
Energy: 0.4867774228784032
Energy: 0.4796896992629344
Energy: 0.4904285791393516
Energy: 0.4873318334615752
Energy: 0.5598576466479736
Energy: 0.4854641855864768
Energy: 0.486137971773121
Energy: 0.5005509300020755
Energy: 0.4765300106706789
Energy: 0.48575485618867936
Energy: 0.517025603801933
Energy: 0.47643686185788126
Energy: 0.4744735465857946
Energy: 0.4694599222802438
Energy: 0.4675533580971519
Energy: 0.46547328472637856
Energy: 0.46938558794063356
Energy: 0.4676592303140119
Energy: 0.48926767102570246
Energy: 0.47555371845423383
Energy: 0.46929159638597034
Energy: 0.48254593595119444
Energy: 0.47284973038706873
Energy: 0.4705813147940051
Energy: 0.4713068411040102
Energy: 0.49356697649861236
Energy: 0.493374648519987
Energy: 0.4676403196443598
Energy: 0.5148247686303196
Energy: 0.49335088336157207
Energy: 0.4702968767866954
Energy: 0.4694108411642438
Energy: 0.47496567805765166
Energy: 0.47119032625456775
Energy: 0.6122769040561478
Energy: 0.4692613431254572
Energy: 0.46892023551357026
Energy: 0.49465558349824446
Energy: 0.4681825828225557
Energy: 0.4690646520910593
Energy: 0.49501733026863576
Energy: 0.4679025181824866
Energy: 0.6183554534630987
Energy: 0.4854812504056235
Energy: 0.4814131911275198
Energy: 0.49945331462631726
Energy: 0.49303902078435335
Energy: 0.4805104092680621
Energy: 0.4930931041527809
Energy: 0.49194790824810497
Energy: 0.4847812008292429
Energy: 0.4688761478876392
Energy: 0.4896150983571806
Energy: 0.4798971640003811
Energy: 0.4948350407313494
Energy: 0.4846902184395835
Energy: 0.48466688688574505
Energy: 0.5630586751725446
Energy: 0.48537260282404265
Energy: 0.4852804671054043
Energy: 0.5225519854843674
Energy: 0.4879220975007054
Energy: 0.5220321058007374
Energy: 0.5236585501650067
Energy: 0.4885241239674962
Energy: 0.5221444485675669
Energy: 0.6496034980532817
Energy: 0.4805189464553626
Energy: 0.49436266017033614
Energy: 0.5256444840094314
Energy: 0.48079159556894996
Energy: 0.5075924447845325
Energy: 0.6509192044209491
Energy: 0.5230571151208225
Energy: 0.5252732102658708
Energy: 0.5208086633583053
Energy: 0.5210514677619232
Energy: 0.5231981118158741
Energy: 0.5214737750222747
Energy: 0.5961869211356594
Energy: 0.5217627123046044
Energy: 0.4811938288876446
Energy: 0.6039499304160219
Energy: 0.5059098918771043
Energy: 0.5896064812338004
Energy: 0.6010619823213414
Energy: 0.5695321476844568
Energy: 0.5238847256172019
Energy: 0.6002107651131577
Energy: 0.5680549729014467
Energy: 0.6554447876914758
Energy: 0.5241463322898335
Energy: 0.5098798111920763
Energy: 0.5976187207790038
Energy: 0.5238033358947664
Energy: 0.5240063104781824
Energy: 0.7045713558564412
Energy: 0.5064924020528295
Energy: 0.505906753765066
Energy: 0.5966457751480975
Energy: 0.5068839494270245
Energy: 0.5837387014506737
Energy: 0.6478281770422613
Energy: 0.5791144595449613
Energy: 0.5914742805213875
Energy: 0.5994467912624862
Energy: 0.600948705658329
Energy: 0.525449387297718
Energy: 0.5464240351436531
Energy: 0.587868596259361
Energy: 0.5466906606838647
Energy: 0.49047858062424876
Energy: 0.5963910456175806
Energy: 0.5192410855685374

minimum gb energy = 0.46547328472637856 eV
minimum distance =  2.72552628587331 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.5165212866377932
Energy: 0.5992838370737925
Energy: 0.4683916330137262
Energy: 0.43682555330259154
Energy: 0.6194561139443959
Energy: 0.45440884904484263
Energy: 0.5569263573122835
Energy: 0.5196046083052946
Energy: 0.4143713165217818
Energy: 0.4988355592401222
Energy: 0.5191400431532188
Energy: 0.4126097219625539
Energy: 0.5952965081335176
Energy: 0.4018942058100908
Energy: 0.4128789142627362
Energy: 0.5173872634427479
Energy: 0.4048272608781935
Energy: 0.41296207077546043
Energy: 0.520277713192887
Energy: 0.41295128906329115
Energy: 0.42809725448178115
Energy: 0.5174711488662747
Energy: 0.44051105279539265
Energy: 0.4795355241827307
Energy: 0.5134227306351491
Energy: 0.44736620799123983
Energy: 0.41400547478862093
Energy: 0.5135075112473825
Energy: 0.46631823020908325
Energy: 0.4139559377258292
Energy: 0.41478471338493805
Energy: 0.45966575397710485
Energy: 0.40876230373013545
Energy: 0.3907255701324865
Energy: 0.45965575655183594
Energy: 0.3954110489578907
Energy: 0.5475474573392751
Energy: 0.4596552950911204
Energy: 0.4594900625121126
Energy: 0.43100956231880216
Energy: 0.45968217297252384
Energy: 0.40691949049771503
Energy: 0.5420263089968039
Energy: 0.38588338174778525
Energy: 0.3923842273601676
Energy: 0.3972407027518144
Energy: 0.38576631119909616
Energy: 0.39224531731461987
Energy: 0.4274134665766369
Energy: 0.39251743881935924
Energy: 0.4261125326347005
Energy: 0.42851804969830437
Energy: 0.5302018028323547
Energy: 0.42719594805590666
Energy: 0.4276338460158951
Energy: 0.39361364197723525
Energy: 0.3936946011212481
Energy: 0.42747111200699917
Energy: 0.3885331364007173
Energy: 0.3937511814821235
Energy: 0.3998966893206829
Energy: 0.4063972472719251
Energy: 0.38565340265681886
Energy: 0.3805682330474228
Energy: 0.40673887048954405
Energy: 0.38328970422706365
Energy: 0.5255867536389942
Energy: 0.40761132831288954
Energy: 0.4073720125650379
Energy: 0.39217080453972974
Energy: 0.4074208506155302
Energy: 0.3930545991438531
Energy: 0.5237833584625626
Energy: 0.3794092500487371
Energy: 0.3983356100061625
Energy: 0.4078368665487888
Energy: 0.37997777265669147
Energy: 0.3983984212063168
Energy: 0.39507146282782735
Energy: 0.3835661954036903
Energy: 0.3957915451387436
Energy: 0.3960813397462106
Energy: 0.5199937777764106
Energy: 0.3958011826596297
Energy: 0.3955141957875435
Energy: 0.3810091036153135
Energy: 0.38121713726233536
Energy: 0.39554271803419644
Energy: 0.3808402143791646
Energy: 0.3809784156397772
Energy: 0.45537149463765286
Energy: 0.3907662887327759
Energy: 0.3787662191743012
Energy: 0.379273920773873
Energy: 0.39064089510736183
Energy: 0.3786245774668476
Energy: 0.5170626248414403
Energy: 0.3912441754759133
Energy: 0.39063926887260664
Energy: 0.4541043462079401
Energy: 0.3905873096204052
Energy: 0.38236180647406154
Energy: 0.5175002420508318
Energy: 0.3959642382498588
Energy: 0.38188841055418304
Energy: 0.5167515346408711
Energy: 0.4059829852580101
Energy: 0.3818623512097295
Energy: 0.39083724735454545
Energy: 0.4546204131230645
Energy: 0.3907964223876364
Energy: 0.3913068539647569
Energy: 0.5187672736961999
Energy: 0.39112297493424664
Energy: 0.5183098721280257
Energy: 0.40838527283097753
Energy: 0.3864944991090248
Energy: 0.5196867469239763
Energy: 0.4072837190142442
Energy: 0.3861873344693592
Energy: 0.5219489908610154
Energy: 0.3962221042106977
Energy: 0.3961387421115652
Energy: 0.3852299878549309
Energy: 0.3963520839968966
Energy: 0.3865180160883458
Energy: 0.4563168621598416
Energy: 0.39532555025481586
Energy: 0.39436489020254717
Energy: 0.38105427872238157
Energy: 0.39519250847395787
Energy: 0.37999129096328604
Energy: 0.4083908612818893
Energy: 0.3827233191862715
Energy: 0.38266279569311307
Energy: 0.40828768366217305
Energy: 0.3827228865869856
Energy: 0.3823727627393964
Energy: 0.4062890421614618
Energy: 0.4619564333684383
Energy: 0.4064056892233937
Energy: 0.4074299025555534
Energy: 0.526049051991801
Energy: 0.406479558486852
Energy: 0.5307876987775515
Energy: 0.38289196606425263
Energy: 0.3864294673682332
Energy: 0.42623610065921497
Energy: 0.3826329718082041
Energy: 0.3863336462248853
Energy: 0.5376367621267591
Energy: 0.42724331986367603
Energy: 0.4262776280629741
Energy: 0.4026395492078459
Energy: 0.4263330057018409
Energy: 0.40253209448930777
Energy: 0.40666901621255885
Energy: 0.4264970757091373
Energy: 0.3972873531372631
Energy: 0.38457514917064656
Energy: 0.4264390760951486
Energy: 0.38937389440362224
Energy: 0.4603155041547906
Energy: 0.40090407366119374
Energy: 0.40089363522563565
Energy: 0.4600374944242422
Energy: 0.4180167105028224
Energy: 0.3975349982318879
Energy: 0.46091039673630924
Energy: 0.4026782531784482
Energy: 0.4593660056545811
Energy: 0.46165634794773713
Energy: 0.5382439016034674
Energy: 0.459427733057615
Energy: 0.5569139984269041
Energy: 0.39236460401687884
Energy: 0.40266252267246305
Energy: 0.44504163491488474
Energy: 0.3930339512783648
Energy: 0.4027954041830683
Energy: 0.5572890618689047
Energy: 0.517847868250779
Energy: 0.44470957468052086
Energy: 0.46827659173800873
Energy: 0.5176375766456024
Energy: 0.4131940599284921
Energy: 0.4297723897911731
Energy: 0.5175827964921204
Energy: 0.423799731676092
Energy: 0.3985901528665346
Energy: 0.5176268359726848
Energy: 0.4069807919496093
Energy: 0.511536519877746
Energy: 0.4904719139663109
Energy: 0.44776512134425567
Energy: 0.44800917271340135
Energy: 0.5189217726052019
Energy: 0.44773717704373334
Energy: 0.5623472565089777
Energy: 0.4280877869257466
Energy: 0.4402550780320414
Energy: 0.5174898466197605
Energy: 0.4642843043680524
Energy: 0.480622195168913
Energy: 0.595469616082162
Energy: 0.4170147182890059
Energy: 0.45036731545242875
Energy: 0.5174303470282958
Energy: 0.4159664250747379
Energy: 0.4505783320816711
Energy: 0.5675038609391865
Energy: 0.48991882440831386
Energy: 0.44773533406635807
Energy: 0.49808330730910044
Energy: 0.4992722999624002
Energy: 0.44348266081706983

minimum gb energy = 0.3786245774668476 eV
minimum distance =  2.72036594938532 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.021545908575238693
Energy: 0.04422295572172961
Energy: 0.022160341584670045
Energy: 0.022938119399747523
Energy: 0.044096968096321965
Energy: 0.02192681473496294
Energy: 0.04411210650218598
Energy: 0.02255427980365767
Energy: 0.022523285985102906
Energy: 0.04395964271167063
Energy: 0.022446761080123934
Energy: 0.02257740098304352
Energy: 0.04409564992756486
Energy: 0.021788163689180625
Energy: 0.021879255260970974
Energy: 0.04408134009025657
Energy: 0.02183272848763027
Energy: 0.04421547311440586
Energy: 0.023004808416762973
Energy: 0.02192735838086532
Energy: 0.021961600950653148
Energy: 0.0224948247305662
Energy: 0.021820130381374155
Energy: 0.044666628002601974
Energy: 0.04426693823437305
Energy: 0.043978466577933646
Energy: 0.04403865066741275
Energy: 0.045035046576576566
Energy: 0.04414384226160323
Energy: 0.043947975306636654
Energy: 0.022211672921915313
Energy: 0.022409650030012825
Energy: 0.021920141933214583
Energy: 0.023041604804146593
Energy: 0.022475418426851173
Energy: 0.021863759445409477
Energy: 0.043975482498307746
Energy: 0.022697130330055094
Energy: 0.022476511365596353
Energy: 0.04388305197524516
Energy: 0.02253532745533159
Energy: 0.022548240484317684
Energy: 0.04398739590352296
Energy: 0.021747273687768177
Energy: 0.021936160575598263
Energy: 0.044042457672386036
Energy: 0.02178901004780563
Energy: 0.044419857474579105
Energy: 0.023364647530521747
Energy: 0.022036880602354016
Energy: 0.04502515745099684
Energy: 0.02325301427304948
Energy: 0.02185230223397301
Energy: 0.045242447656947626
Energy: 0.022019830149683117
Energy: 0.043921083803572555
Energy: 0.04395595340751486
Energy: 0.022078513130284128
Energy: 0.04399844177092535
Energy: 0.04400431117377951

minimum gb energy = 0.021545908575238693 eV
minimum distance =  2.86652745921725 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.47227256147909324
Energy: 0.4808602201663555
Energy: 0.4616108739222883
Energy: 0.4481204639556023
Energy: 0.48000270368807585
Energy: 0.4585637555625544
Energy: 0.49832702637158194
Energy: 0.5037331110872365
Energy: 0.49620813421406074
Energy: 0.4871625783166913
Energy: 0.5034654897351842
Energy: 0.4961158024288725
Energy: 0.5829700193743818
Energy: 0.4475127775715027
Energy: 0.4478967897109944
Energy: 0.5032348428185284
Energy: 0.4474249503824871
Energy: 0.4896657875219449
Energy: 0.4952511492754482
Energy: 0.4478562812664906
Energy: 0.46163725413257406
Energy: 0.4951483664169216
Energy: 0.4248900809880867
Energy: 0.49142989146547933
Energy: 0.4303987428701129
Energy: 0.46753656286009576
Energy: 0.4718017812967334
Energy: 0.42950181658934555
Energy: 0.47377177341126814
Energy: 0.49592099698603864
Energy: 0.4442654570395606
Energy: 0.5007380700314387
Energy: 0.4606807026529543
Energy: 0.438309558764757
Energy: 0.5000384322102968
Energy: 0.4384638161826026
Energy: 0.4835867863593899
Energy: 0.4365054156793928
Energy: 0.4348005528704962
Energy: 0.482664711433724
Energy: 0.43605638469345354
Energy: 0.46897851693896236
Energy: 0.4966243265649147
Energy: 0.44485743391257415
Energy: 0.44483090300399974
Energy: 0.4965929810999301
Energy: 0.4224276012409631
Energy: 0.45110456301309526
Energy: 0.5020248059031195
Energy: 0.4466041857152411
Energy: 0.4782603366533352
Energy: 0.47640260288673864
Energy: 0.4045923161875009
Energy: 0.47879842327700767
Energy: 0.4445298973213785
Energy: 0.4690445616880477
Energy: 0.4579137400994323
Energy: 0.44435585813024703
Energy: 0.47107505247150666
Energy: 0.4347031541030769
Energy: 0.44469434114840667
Energy: 0.45439650004650767
Energy: 0.45441426097532117
Energy: 0.42778516209273887
Energy: 0.45024725203344157
Energy: 0.42754283919517116
Energy: 0.40987193302122177
Energy: 0.45716948411009994
Energy: 0.4574725822715135
Energy: 0.4095678160535393
Energy: 0.45821373832914924
Energy: 0.4080261252825185
Energy: 0.43205352029565025
Energy: 0.41727021735490677
Energy: 0.4309417104376891
Energy: 0.43205844625588863
Energy: 0.41634293398810207
Energy: 0.417350024122257
Energy: 0.43704549291086087
Energy: 0.42657196626995686
Energy: 0.43485350686186847
Energy: 0.4331933670177502
Energy: 0.4262717541548762
Energy: 0.4343452208784971
Energy: 0.436041856848938
Energy: 0.40657444633255607
Energy: 0.3931061722682399
Energy: 0.43606766179484846
Energy: 0.4169456919452469
Energy: 0.3947422481808022
Energy: 0.4348983003770012
Energy: 0.4215651570487152
Energy: 0.42484290806850455
Energy: 0.42134128321428715
Energy: 0.43042927245420026
Energy: 0.425123609178901
Energy: 0.3879267895532468
Energy: 0.42238268692601866
Energy: 0.4233707207247975
Energy: 0.38848869754586296
Energy: 0.4218381047261359
Energy: 0.38922872758615773
Energy: 0.39090859943906714
Energy: 0.41830631415514186
Energy: 0.4180736319625458
Energy: 0.3908869956405761
Energy: 0.4183539831603929
Energy: 0.41879978171445686
Energy: 0.4266715480582484
Energy: 0.44360743326206553
Energy: 0.4185752028872722
Energy: 0.41836255501851083
Energy: 0.4550852241996284
Energy: 0.418801330910572
Energy: 0.4300540097030057
Energy: 0.38937139023542544
Energy: 0.38937238154784315
Energy: 0.430768204571533
Energy: 0.389460614890176
Energy: 0.38908941275140674
Energy: 0.4304096683868286
Energy: 0.42146866060519955
Energy: 0.42453515423710786
Energy: 0.4312933878167621
Energy: 0.43540210387942824
Energy: 0.4234629866845686
Energy: 0.41002613420744155
Energy: 0.4214685084333615
Energy: 0.40503434919532083
Energy: 0.40688151890881036
Energy: 0.42105000187629227
Energy: 0.40722578866921266
Energy: 0.3925202822108981
Energy: 0.4336624416369502
Energy: 0.4336683479313678
Energy: 0.3924690858112634
Energy: 0.433445926304974
Energy: 0.4338335436335986
Energy: 0.4671293547337342
Energy: 0.4301952591825334
Energy: 0.4330747585325857
Energy: 0.42203829614939226
Energy: 0.4302536043767067
Energy: 0.42166795705997134
Energy: 0.458019115544757
Energy: 0.4106238807296272
Energy: 0.40957442352971846
Energy: 0.4576265274298274
Energy: 0.435953231646758
Energy: 0.40777158859242313
Energy: 0.4541787580295341
Energy: 0.43718390461175943
Energy: 0.4371102377779586
Energy: 0.45351049220642575
Energy: 0.4185810118002176
Energy: 0.4542468747653985
Energy: 0.4694612533697192
Energy: 0.4376753554940622
Energy: 0.4405898384843313
Energy: 0.4704397458209276
Energy: 0.45676973045746666
Energy: 0.45120940242258806
Energy: 0.41619270314709245
Energy: 0.480105763735494
Energy: 0.4772061996670084
Energy: 0.41625255293264624
Energy: 0.47612025907651534
Energy: 0.4769320719603132
Energy: 0.44909258439940075
Energy: 0.49236952174135395
Energy: 0.47503219979256983
Energy: 0.43293066891377924
Energy: 0.49434784174455365
Energy: 0.4324542668644072
Energy: 0.43538996125367485
Energy: 0.4667465072220858
Energy: 0.47060534416682925
Energy: 0.4358663428052468
Energy: 0.4734677985980252
Energy: 0.4686287853151346
Energy: 0.4878872324173087
Energy: 0.450715941235063
Energy: 0.4506472622863868
Energy: 0.48785352804482646
Energy: 0.42373731959553435
Energy: 0.4506048465570499
Energy: 0.5259890572589174
Energy: 0.4512358023617606
Energy: 0.48628060704432247
Energy: 0.5057763133670933
Energy: 0.42674028339647235
Energy: 0.4669566023195317
Energy: 0.4416133488164
Energy: 0.4951385139546883
Energy: 0.4669854577667346
Energy: 0.44152494473645754
Energy: 0.4946760015487233
Energy: 0.47815134468583287

minimum gb energy = 0.3879267895532468 eV
minimum distance =  2.6635811025639 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.5651666458610393
Energy: 0.53790527997405
Energy: 0.5632647127214147
Energy: 0.5497380061195973
Energy: 0.5375822180397918
Energy: 0.552051496748679
Energy: 0.5930410279563922
Energy: 0.5897668229295956
Energy: 0.5831912465174418
Energy: 0.5860482985989027
Energy: 0.587255390984347
Energy: 0.5826001495406545
Energy: 0.5941182515067419
Energy: 0.5526480303195503
Energy: 0.5807357496565616
Energy: 0.5632931271974916
Energy: 0.5444349367124725
Energy: 0.5806033504660397
Energy: 0.5904113347214932
Energy: 0.5811531609889847
Energy: 0.5808199181883563
Energy: 0.5657558346946447
Energy: 0.5329080538072883
Energy: 0.5807524197945977
Energy: 0.5488786864325164
Energy: 0.5856257762750787
Energy: 0.5824548916608296
Energy: 0.5489669916631011
Energy: 0.587611297683004
Energy: 0.5824527481412857
Energy: 0.5342964962720829
Energy: 0.5790396301927178
Energy: 0.5558595646685488
Energy: 0.5539170459485392
Energy: 0.5799570304305808
Energy: 0.549724310337832
Energy: 0.5518759163098662
Energy: 0.5494250722155974
Energy: 0.5467735883120663
Energy: 0.5526638298240429
Energy: 0.5429984639990898
Energy: 0.5460311969636755
Energy: 0.5930235010538764
Energy: 0.532223501424638
Energy: 0.5375190867527543
Energy: 0.5937408293440029
Energy: 0.5320912989616237
Energy: 0.546694849684962
Energy: 0.5517803399598873
Energy: 0.5601206121647765
Energy: 0.5598725611650095
Energy: 0.5560300206403211
Energy: 0.507849974768689
Energy: 0.5631709716202886
Energy: 0.552161150974857
Energy: 0.5324389859966943
Energy: 0.5278306395853603
Energy: 0.55210384097912
Energy: 0.5297316610375901
Energy: 0.5082900585449178
Energy: 0.5498597489367095
Energy: 0.5372270048873071
Energy: 0.5371866902230187
Energy: 0.537310413647206
Energy: 0.5356065804405121
Energy: 0.5374924235686427
Energy: 0.4963720237678413
Energy: 0.5415674003748764
Energy: 0.5400083468033284
Energy: 0.49841091839252233
Energy: 0.5411126367983559
Energy: 0.49494021697596435
Energy: 0.5011661766850641
Energy: 0.5311856977691226
Energy: 0.5296581594444507
Energy: 0.5013875642183555
Energy: 0.5256584373807793
Energy: 0.4993035401192072
Energy: 0.5340309220754222
Energy: 0.5395526731659679
Energy: 0.5300446216267545
Energy: 0.5265265382078861
Energy: 0.5471298101629007
Energy: 0.5298920493323103
Energy: 0.5335750886400847
Energy: 0.5048093747300664
Energy: 0.5017949114682887
Energy: 0.5343982019603216
Energy: 0.5019423720950869
Energy: 0.4967515192672211
Energy: 0.5439303321725999
Energy: 0.5383084975246957
Energy: 0.5395657971143096
Energy: 0.5419919305437697
Energy: 0.5187867348833906
Energy: 0.5380018896154222
Energy: 0.5303263716943231
Energy: 0.5278603152588324
Energy: 0.5258559491145582
Energy: 0.5309525748434379
Energy: 0.5232466829994644
Energy: 0.5165927178352684
Energy: 0.5108590051135886
Energy: 0.5595111864786904
Energy: 0.5606099186022623
Energy: 0.5083894253409316
Energy: 0.5541892087980353
Energy: 0.508327636440053
Energy: 0.5314184315028907
Energy: 0.5490109737147393
Energy: 0.5475741344569836
Energy: 0.5452067674344145
Energy: 0.5487133122008326
Energy: 0.5449343398947172
Energy: 0.5412919023675807
Energy: 0.5633968011499525
Energy: 0.5519563205366897
Energy: 0.541049115357946
Energy: 0.5655863926022121
Energy: 0.5462173883515946
Energy: 0.5572417192622525
Energy: 0.5678677603406062
Energy: 0.5679035168152884
Energy: 0.5577874016658382
Energy: 0.5519960056272301
Energy: 0.567853257125699
Energy: 0.598566265074874
Energy: 0.539172360958298
Energy: 0.5679728870264513
Energy: 0.563627543655964
Energy: 0.5374417048255429
Energy: 0.5680491739541833
Energy: 0.5745755493509337
Energy: 0.5532218604766241
Energy: 0.5497891780831725
Energy: 0.5741696270855675
Energy: 0.5508085138608032
Energy: 0.5462581781810668

minimum gb energy = 0.49494021697596435 eV
minimum distance =  2.6719095719376 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.6530273259747744
Energy: 0.6529798725265936
Energy: 0.7056202645093079
Energy: 0.6491897713976496
Energy: 0.6529535623655705
Energy: 0.651861623106575
Energy: 0.6843123057418974
Energy: 0.6441861071640256
Energy: 0.6439829548099947
Energy: 0.6467660238902624
Energy: 0.6503477803871449
Energy: 0.6437896602429922
Energy: 0.7067798136734371
Energy: 0.6409917403309995
Energy: 0.6404558418335042
Energy: 0.6689759030490947
Energy: 0.641245989355124
Energy: 0.6402767759056565
Energy: 0.6669532498896038
Energy: 0.640866544612464
Energy: 0.6404584729647838
Energy: 0.6674568910087558
Energy: 0.6312906641245913
Energy: 0.6400620718782025
Energy: 0.6072483354605748
Energy: 0.647629704917413
Energy: 0.6453951830026463
Energy: 0.6071747185358854
Energy: 0.6705336475825425
Energy: 0.6435276713737482
Energy: 0.6168913517622983
Energy: 0.639618208794668
Energy: 0.6437433849836746
Energy: 0.6148926089202672
Energy: 0.6410586029493709
Energy: 0.6152744249231347
Energy: 0.6067072288757892
Energy: 0.6465311970661732
Energy: 0.6450606586038315
Energy: 0.607588849636811
Energy: 0.6458636217899255
Energy: 0.6044973135441365
Energy: 0.6242519756400919
Energy: 0.618431870234886
Energy: 0.6185655987253286
Energy: 0.6242796487160539
Energy: 0.6041823110111209
Energy: 0.6058383837976874
Energy: 0.6118131766865328
Energy: 0.618411824591616
Energy: 0.6181865877836754
Energy: 0.5989091422000398
Energy: 0.5676988337423347
Energy: 0.6220281851553878
Energy: 0.614832433999228
Energy: 0.5693737927203711
Energy: 0.5692735172468498
Energy: 0.6154924731280479
Energy: 0.5704559404045471
Energy: 0.5694120398450067
Energy: 0.6124062485479848
Energy: 0.6003288004396082
Energy: 0.6105630648306993
Energy: 0.5687304287667319
Energy: 0.588827003392767
Energy: 0.610553905161365
Energy: 0.5678154216682803
Energy: 0.6017379340221631
Energy: 0.6109733546739162
Energy: 0.5679154682434021
Energy: 0.5776438751943184
Energy: 0.5687202715643376
Energy: 0.5680328380951224
Energy: 0.6190106761707199
Energy: 0.6207711158778034
Energy: 0.5683111070648978
Energy: 0.6043436849552125
Energy: 0.5684084919354514
Energy: 0.6127932912261012
Energy: 0.619595375308972
Energy: 0.6189221706595203
Energy: 0.6061251794683786
Energy: 0.611790942206285
Energy: 0.6068687659297353
Energy: 0.5891203638973035
Energy: 0.6064175275436576
Energy: 0.6059295701420814
Energy: 0.5905510375274259
Energy: 0.6263315560893881
Energy: 0.6046667059261484
Energy: 0.6372226919324838
Energy: 0.6244433152289002
Energy: 0.6241197185934174
Energy: 0.5997772364374601
Energy: 0.5771970517562728
Energy: 0.60586594019659
Energy: 0.7067757784736843
Energy: 0.6247139143583775
Energy: 0.624808656043758
Energy: 0.6687962034877795
Energy: 0.6249961054875222
Energy: 0.6244080254118047
Energy: 0.6843200816283878
Energy: 0.6442076400963769
Energy: 0.6437298603480814
Energy: 0.6462862263862303
Energy: 0.6489090333611675
Energy: 0.6350283550062189
Energy: 0.6144759318959453
Energy: 0.6690443506184574
Energy: 0.6315755870466658
Energy: 0.6233427042633688
Energy: 0.6691919734261882
Energy: 0.622567673666857
Energy: 0.6306022798889819
Energy: 0.6453764123776966
Energy: 0.6440377706260001
Energy: 0.6309716089885723
Energy: 0.6705835731658356
Energy: 0.6434353161692546
Energy: 0.7110910970549665
Energy: 0.6406153774041665
Energy: 0.6404771755685069
Energy: 0.6692802268300876
Energy: 0.6632557255092856
Energy: 0.6402191066525306
Energy: 0.6686688228780552
Energy: 0.6409723631478381
Energy: 0.6405417117344817
Energy: 0.6686170671369671
Energy: 0.6411395643301353
Energy: 0.6403281285790015
Energy: 0.6072994692477856
Energy: 0.6459733269985676
Energy: 0.643572554581751
Energy: 0.6073589777990744
Energy: 0.6509332799061274
Energy: 0.6435203206005257
Energy: 0.6577945864852801
Energy: 0.6381379491310595
Energy: 0.634319996683317
Energy: 0.6149834611118002
Energy: 0.637556583643556
Energy: 0.6151769573516832
Energy: 0.6068895500136212
Energy: 0.6461072986668794
Energy: 0.6449451309649241
Energy: 0.606999147353218
Energy: 0.6452218807755591
Energy: 0.6093759634959729
Energy: 0.6250796753058774
Energy: 0.6188297722441034
Energy: 0.619035443226699
Energy: 0.6258603421191467
Energy: 0.6183801535023142
Energy: 0.6056308459306013
Energy: 0.6137845980315623
Energy: 0.6184683462103912
Energy: 0.6185198587934428
Energy: 0.6129576104280139
Energy: 0.5998936731474355
Energy: 0.6234751486828545
Energy: 0.6132390875892952
Energy: 0.5686756372346237
Energy: 0.5692358751427132
Energy: 0.6132044318511575
Energy: 0.5706653293239472
Energy: 0.5690715669748169
Energy: 0.6120751624867579
Energy: 0.5906504014079171
Energy: 0.6103038954655389
Energy: 0.5707376116090644
Energy: 0.5910531262513287
Energy: 0.6103119077223134
Energy: 0.5679097521500919
Energy: 0.6017111657938707
Energy: 0.6024769840632502
Energy: 0.5680381955354891
Energy: 0.5801391020837726
Energy: 0.568727995785952
Energy: 0.568067227865741
Energy: 0.6183327505758074
Energy: 0.5996235535642543
Energy: 0.5680606891037511
Energy: 0.5982690174885643
Energy: 0.5683299759584155
Energy: 0.6125424759526996
Energy: 0.6186404968715827
Energy: 0.6185675997818818
Energy: 0.6070218040665359
Energy: 0.6127049153937942
Energy: 0.6069757934315196
Energy: 0.5884591975670436
Energy: 0.6089674970602664
Energy: 0.6053251543177168
Energy: 0.6123575061511
Energy: 0.625572786515727
Energy: 0.604713467397723
Energy: 0.6032360678139892
Energy: 0.6093667034437222
Energy: 0.6053710628373362
Energy: 0.6002332556146993
Energy: 0.5771935021134568
Energy: 0.6059104874363757
Energy: 0.7257324105218161
Energy: 0.6255508156994366
Energy: 0.6248582413252474
Energy: 0.6685278969731632
Energy: 0.6018330958236413
Energy: 0.6249531555872241
Energy: 0.68654254225672
Energy: 0.6448743248479412
Energy: 0.6053551571766022
Energy: 0.64965724498507
Energy: 0.6470208407125043
Energy: 0.6436096605783793
Energy: 0.6528522053234267
Energy: 0.6695122256365733
Energy: 0.6576875117477416
Energy: 0.6227045932344776
Energy: 0.6692280948481074
Energy: 0.6222441484030117

minimum gb energy = 0.5676988337423347 eV
minimum distance =  2.67742872230764 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.7593684271861042
Energy: 0.7157687485304278
Energy: 0.7609362727462072
Energy: 0.6463702585231798
Energy: 0.7153271458020949
Energy: 0.7607399443941288
Energy: 0.7870576713840426
Energy: 0.7170890624311874
Energy: 0.7149841945920526
Energy: 0.7197392296815043
Energy: 0.7169314358574589
Energy: 0.7180398912033698
Energy: 0.7816325987877135
Energy: 0.6913237670563643
Energy: 0.6904188681926604
Energy: 0.7146515924795995
Energy: 0.6906180557975448
Energy: 0.7137871681543818
Energy: 0.7164047386120621
Energy: 0.6905897646580812
Energy: 0.6899843289588901
Energy: 0.7174462464058963
Energy: 0.6926566444620229
Energy: 0.6721545374156436
Energy: 0.676957746867221
Energy: 0.7178215695196755
Energy: 0.7153418200532535
Energy: 0.6776655059693976
Energy: 0.7164013683060936
Energy: 0.6960094093314287
Energy: 0.7117595246310465
Energy: 0.7312147753788116
Energy: 0.6954051834580606
Energy: 0.6691286276954358
Energy: 0.7309146591510909
Energy: 0.6954401316471993
Energy: 0.671927066439946
Energy: 0.7264032264436804
Energy: 0.7275440081976833
Energy: 0.6721831145126799
Energy: 0.7260466510554708
Energy: 0.67330681411707
Energy: 0.6737487639852283
Energy: 0.6737157545861943
Energy: 0.6518102324038549
Energy: 0.672130276556729
Energy: 0.6726867122401955
Energy: 0.6722229340340782
Energy: 0.7023757214661311
Energy: 0.6749017755219036
Energy: 0.7019286737993536
Energy: 0.7029271572954859
Energy: 0.6858937838315318
Energy: 0.6749081413670401
Energy: 0.6858458666686048
Energy: 0.6748625879992546
Energy: 0.6736519441250126
Energy: 0.6742641958246991
Energy: 0.6718102574321029
Energy: 0.6504543945123809
Energy: 0.7138359928995359
Energy: 0.6720261787588341
Energy: 0.6954562650688064
Energy: 0.7137695966073861
Energy: 0.6385946470710734
Energy: 0.7170210453057928
Energy: 0.7811754133043793
Energy: 0.6362826046714346
Energy: 0.6366973822449435
Energy: 0.7144552350591354
Energy: 0.636894002430702
Energy: 0.6828551943278341
Energy: 0.7832148012967503
Energy: 0.7136547715824912
Energy: 0.7151244841135886
Energy: 0.7157664888811951
Energy: 0.7157719608062845
Energy: 0.7155652063373794
Energy: 0.7174314446005795
Energy: 0.714443045701129
Energy: 0.7177633152700977
Energy: 0.6401476153114404
Energy: 0.7142774297677231
Energy: 0.71817250496315

minimum gb energy = 0.6362826046714346 eV
minimum distance =  2.69695112895021 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.1356998805966185
Energy: 0.8558972085222148
Energy: 0.9619028071762652
Energy: 0.7663872551297158
Energy: 0.7917865182923532
Energy: 0.851650223799173
Energy: 0.8984013390475117
Energy: 0.750359410332146
Energy: 0.7512182627435082
Energy: 0.7551075885890981
Energy: 0.7494753911592157
Energy: 0.7573713957074578
Energy: 0.9073877696302
Energy: 0.7620615873768354
Energy: 0.7618947721543741
Energy: 0.7490552325774054
Energy: 0.7620310636901387
Energy: 0.7582056013411251
Energy: 0.7494515843195568
Energy: 0.7618935899558081
Energy: 0.7622819294491986
Energy: 0.7496557458324319
Energy: 0.7565089703678747
Energy: 0.7590072910765345
Energy: 0.7570017015785737
Energy: 0.7499204984968671
Energy: 0.7504940334802694
Energy: 0.7573482638800111
Energy: 0.7506666459387027
Energy: 0.7613715524058857
Energy: 0.756746191581534
Energy: 0.7792279717578977
Energy: 0.7597965228885067
Energy: 0.7624975034363602
Energy: 0.7786224199994691
Energy: 0.760731427584632
Energy: 0.7911954814848429
Energy: 0.7501661329719796
Energy: 0.7506033037634737
Energy: 0.7922350301293131
Energy: 0.7749439541567403
Energy: 0.7620972495079529
Energy: 0.7728007361406506
Energy: 0.7739397583673971
Energy: 0.7581334340342498
Energy: 0.7495751298455596
Energy: 0.756158134861748
Energy: 0.7637402682090905
Energy: 0.743888829628553
Energy: 0.7508687330835471
Energy: 0.7608960233303822
Energy: 0.758363785620383
Energy: 0.7491750717378426
Energy: 0.7650091412672184
Energy: 0.7658508026965583
Energy: 0.7572445663889625
Energy: 0.7610157617894885
Energy: 0.7653228493762478
Energy: 0.7496071246926174
Energy: 0.7573507901241361
Energy: 0.7730470836511462
Energy: 0.7592035899684292
Energy: 0.7576385447105164
Energy: 0.7497854772319776
Energy: 0.7466294032521331
Energy: 0.750660768139884
Energy: 0.8681121525683267
Energy: 0.7743511512415054
Energy: 0.8099351545285761
Energy: 0.8679894281343696
Energy: 0.7555731276491895
Energy: 0.8017365146124595
Energy: 0.7501570512766171
Energy: 0.74988496995326
Energy: 0.7618796416809522
Energy: 0.7500159396817608
Energy: 0.7502791364835742
Energy: 0.7616430549657411
Energy: 0.7601011384797414
Energy: 0.7644804881732954
Energy: 0.7625860228980983
Energy: 0.7621380592524631
Energy: 0.7489650128579806
Energy: 0.7581658379184572
Energy: 0.7569792054669656
Energy: 0.763606479193683
Energy: 0.7561824119107651
Energy: 0.7573723958553755
Energy: 0.7632329621673496
Energy: 0.7580406190519731
Energy: 0.748717549504489
Energy: 0.7559619571228549
Energy: 0.7597292968364365
Energy: 0.7496870286093744
Energy: 0.7729418254992361
Energy: 0.7491177028214444
Energy: 0.7614672240884415
Energy: 0.7606557290582507
Energy: 0.756351051348654
Energy: 0.7615482818687087
Energy: 0.7610521032618195
Energy: 0.7586764537818981
Energy: 0.8089474892237433
Energy: 0.805264003835062
Energy: 0.8011203543996303
Energy: 0.7440512551913229
Energy: 0.8300823456497969
Energy: 0.8163787736660982
Energy: 0.7476813333830995
Energy: 0.7488171836255694
Energy: 0.752760528757657
Energy: 0.747726547028829
Energy: 0.742576917604439
Energy: 0.7573882508522027
Energy: 0.7410783746562463
Energy: 0.7477569760131896
Energy: 0.7624193844498366
Energy: 0.741337719544719
Energy: 0.7473710799779141
Energy: 0.7571820656585994
Energy: 0.8299044070339264
Energy: 0.7631196175892568
Energy: 0.7564931365278725
Energy: 0.7404796881651974
Energy: 0.758495742500151
Energy: 0.7523233217832604
Energy: 0.7724774238891366
Energy: 0.7520443575513555
Energy: 0.7522320521193521
Energy: 0.7467189592500761
Energy: 0.7405813210721155
Energy: 0.7522060134971196
Energy: 0.7538348952714389
Energy: 0.7485708122124273
Energy: 0.7731105607152693
Energy: 0.7553343278072965
Energy: 0.7429464964530613
Energy: 0.7635588452518531
Energy: 0.8251089098859437
Energy: 0.7498854580051042
Energy: 0.7689428308069793
Energy: 0.7421529144156548
Energy: 0.7499076861261399
Energy: 0.7561192839451789
Energy: 0.8278048882615832
Energy: 0.7622115550085654
Energy: 0.7520246488359471
Energy: 0.828146536545842
Energy: 0.7644599309502146
Energy: 0.751840607082679
Energy: 0.7684345141805012
Energy: 0.7653357678060915
Energy: 0.7590795352755902
Energy: 0.7616164852535883
Energy: 0.7614737821933738
Energy: 0.7569376927841177
Energy: 0.763432584895486
Energy: 0.7483935129354453
Energy: 0.7483202781539288
Energy: 0.7664925739078581
Energy: 0.750363124879038
Energy: 0.7653777514478806
Energy: 0.7676540184822992
Energy: 0.7723603568543629
Energy: 0.7627257648729776
Energy: 0.7647888687731078
Energy: 0.7576235535121095
Energy: 0.7565451838140874
Energy: 0.9073269575369519
Energy: 0.7606014944700557
Energy: 0.7705111103786038
Energy: 0.8639166245290641
Energy: 0.7539981459699244
Energy: 0.7662915812204409
Energy: 0.8996605169275619
Energy: 0.7498345230597159
Energy: 0.7567345330689218
Energy: 0.7509725440990932
Energy: 0.7504027664642314
Energy: 0.7560918748068378
Energy: 0.8077817959880398
Energy: 0.7899167761792097
Energy: 0.7884926280394895
Energy: 0.7507441460469185
Energy: 0.7899049336471157
Energy: 0.7887741481731516

minimum gb energy = 0.7404796881651974 eV
minimum distance =  2.69299364691392 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.0256015622542607
Energy: 0.7292861928242659
Energy: 0.8984272230660663
Energy: 0.8976259475766813
Energy: 0.7289180879010049
Energy: 0.8973884925624326
Energy: 0.837647242712424
Energy: 0.7279392798727343
Energy: 0.7285504713959139
Energy: 0.7280003563293439
Energy: 0.7276956285709802
Energy: 0.7490342202486333
Energy: 0.8259096097519126
Energy: 0.7165010735864196
Energy: 0.717196868511044
Energy: 0.827198201867774
Energy: 0.7168011656941904
Energy: 0.728832324438116
Energy: 0.728072134061618
Energy: 0.7294622794608355
Energy: 0.7290964640546937
Energy: 0.7284140883978653
Energy: 0.7171211440811843
Energy: 0.728213742003253
Energy: 0.7290172098568072
Energy: 0.7286663207922927
Energy: 0.7287743021699421
Energy: 0.7300823990770752
Energy: 0.7291394277465676
Energy: 0.7274581345635913
Energy: 0.729374830642842
Energy: 0.7958639855020115
Energy: 0.7206523351233814
Energy: 0.7359110099023338
Energy: 0.796907789001643
Energy: 0.7406410006702845
Energy: 0.7961212387832404
Energy: 0.7053474935810231
Energy: 0.705301606031301
Energy: 0.7967837158476929
Energy: 0.7049868054009253
Energy: 0.7847826058611416
Energy: 0.8427629937486204
Energy: 0.7284793075917406
Energy: 0.7281693154759977
Energy: 0.7302004987687233
Energy: 0.7458863168572878
Energy: 0.7277059494295105
Energy: 0.7357604709294668
Energy: 0.7309143310500908
Energy: 0.7053373557660542
Energy: 0.7326024331794948
Energy: 0.7275794508026763
Energy: 0.7062150781446249
Energy: 0.7358749700258411
Energy: 0.7287916640247993
Energy: 0.705355534135911
Energy: 0.7362522484360096
Energy: 0.7289553655804375
Energy: 0.706128539663776
Energy: 0.8429358858330224
Energy: 0.7283639160429665
Energy: 0.7273197757216512
Energy: 0.7301328644054766
Energy: 0.7281912643414308
Energy: 0.7541916191874475
Energy: 0.7850144386039696
Energy: 0.7174576039766803
Energy: 0.7169534098933453
Energy: 0.7852794686624706
Energy: 0.7165297260107353
Energy: 0.7283986679433206
Energy: 0.7283600143051455
Energy: 0.7278462802639306
Energy: 0.7313355452781719
Energy: 0.7280237784168239
Energy: 0.7281047914920868
Energy: 0.7231674188623851
Energy: 0.7288282153511267
Energy: 0.7278188594496388
Energy: 0.7276799573165196
Energy: 0.7343494438965796
Energy: 0.8301844634163067
Energy: 0.7281523279660601
Energy: 0.7447179242018559
Energy: 0.7049973499443487
Energy: 0.7288540383611181
Energy: 0.7450220353874981
Energy: 0.7061166214927681
Energy: 0.7268244469068323
Energy: 0.8255498869331079
Energy: 0.7048635922310698
Energy: 0.7049638868797685
Energy: 0.8266374215949263
Energy: 0.7063738385982553
Energy: 0.7291166874570981
Energy: 0.73571533863524
Energy: 0.7280793526706717
Energy: 0.7286618236892991
Energy: 0.7361554603213288
Energy: 0.7281202283663087
Energy: 0.7499804444750429

minimum gb energy = 0.7048635922310698 eV
minimum distance =  2.71547589955912 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.1672843786286613
Energy: 0.8531941755672466
Energy: 0.8031399127771613
Energy: 0.8223051710501065
Energy: 0.8525953515262066
Energy: 0.8085981960284876
Energy: 0.9046675232448232
Energy: 0.7944592794578419
Energy: 0.7878663566369292
Energy: 0.8003477763355694
Energy: 0.7976889258390593
Energy: 0.816893410143742
Energy: 0.8561909801768536
Energy: 0.8124256501655228
Energy: 0.8039856469264849
Energy: 0.8568551161578107
Energy: 0.8031725649651784
Energy: 0.7927680279980486
Energy: 0.7913148207812886
Energy: 0.8182644754067177
Energy: 0.8175312680557923
Energy: 0.7931659166538003
Energy: 0.8181552019676663
Energy: 0.8175705332756832
Energy: 0.7908573437616228
Energy: 0.7927237579027233
Energy: 0.7929521058960789
Energy: 0.7914338677610369
Energy: 0.8158108612286238
Energy: 0.8044715689538825
Energy: 0.783700427043929
Energy: 0.7871756466387481
Energy: 0.7960616006385063
Energy: 0.7846201895791791
Energy: 0.7873711281277341
Energy: 0.8104259560872371
Energy: 0.7986095165732543
Energy: 0.7921794750845409
Energy: 0.7987333194058315
Energy: 0.7991617509613956
Energy: 0.794255239104645
Energy: 0.7985393674684583
Energy: 0.8483075198465142
Energy: 0.8202465215967752
Energy: 0.8114041259648196
Energy: 0.8055754302499141
Energy: 0.8071879355170137
Energy: 0.8077721204401566
Energy: 0.9080418719203214
Energy: 0.8083882503892516
Energy: 0.7969907125616599
Energy: 0.8046087521979941
Energy: 0.8253015108574724
Energy: 0.814977700182107
Energy: 0.907291635737781
Energy: 0.8037239805531227
Energy: 0.7849071978950788
Energy: 0.8020262034035237
Energy: 0.799242395580723
Energy: 0.793657392857396
Energy: 0.8258643767642978
Energy: 0.8079022699727029
Energy: 0.8056959390437064
Energy: 0.7986718750532458
Energy: 0.8099759175533667
Energy: 0.807142113227956
Energy: 0.8301758865461711
Energy: 0.8012336222734634
Energy: 0.8059503766984397
Energy: 0.8118883137090283
Energy: 0.80328294194731
Energy: 0.8049977997658279
Energy: 0.9357443745553353
Energy: 0.8001427751355633
Energy: 0.7962445650579735
Energy: 0.7835688303295529
Energy: 0.8386037187912467
Energy: 0.7931401501189795
Energy: 0.8716291609701519
Energy: 0.7973498822482822
Energy: 0.8177902113510891
Energy: 0.7887330829854379
Energy: 0.7951635152514545
Energy: 0.8188510157898209
Energy: 0.8158210212149115
Energy: 0.8053210149453858
Energy: 0.8056696577524277
Energy: 0.8162101320912675
Energy: 0.8077340448158651
Energy: 0.7873242143309572
Energy: 0.8406899040992082
Energy: 0.7967624098726754
Energy: 0.8057893687817967
Energy: 0.8413439700504368
Energy: 0.7816102719718755
Energy: 0.817066961702164
Energy: 0.8245126752232782
Energy: 0.8196813446092078
Energy: 0.8187362383690656
Energy: 0.8170492626720481
Energy: 0.8063216255563033
Energy: 0.8184506498314436
Energy: 0.871625679110191
Energy: 0.7919241480685988
Energy: 0.7925225110102954
Energy: 0.8057563071744249
Energy: 0.8568228698129214
Energy: 0.7920114012914362
Energy: 0.8555025934933341
Energy: 0.8075609004064511
Energy: 0.8091475457260534
Energy: 0.8553889176724432
Energy: 0.8074065628543169
Energy: 0.7960600122419805
Energy: 0.8562976115168501
Energy: 0.8072448443182146
Energy: 0.8091998438754415
Energy: 0.8565939142256495
Energy: 0.8060431241921571
Energy: 0.8103686082026111
Energy: 0.8831128059272094
Energy: 0.7953705792761883
Energy: 0.7873322013659505
Energy: 0.7940751576650356
Energy: 0.7979498077076714
Energy: 0.8065268895648711

minimum gb energy = 0.7816102719718755 eV
minimum distance =  2.66720406565319 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.8228440225159641
Energy: 0.8108289441150179
Energy: 0.7385320899156702
Energy: 0.7649334312300751
Energy: 1.0576043560966353
Energy: 0.7869650923389451
Energy: 0.8707254730021355
Energy: 0.803592565577393
Energy: 0.8140976443687344
Energy: 0.8067005303442112
Energy: 0.8156774688240792
Energy: 0.8145402576955834
Energy: 0.8368905875786028
Energy: 0.8405771986917464
Energy: 0.7863613259893681
Energy: 0.7962021831378241
Energy: 0.772325871256819
Energy: 0.8387498704836641
Energy: 0.8625185550563617
Energy: 0.7934663709515649
Energy: 0.8209279222382602
Energy: 0.8565912893568283
Energy: 0.7843490911938517
Energy: 0.7876291917406688
Energy: 0.7778584950156572
Energy: 0.7934932490583021
Energy: 0.7901243369746052
Energy: 0.7767846942259775
Energy: 0.8006233483069097
Energy: 0.7874929537789368
Energy: 0.8335274920467591
Energy: 0.7966370978536935
Energy: 0.8177483602306366
Energy: 0.8326881183334534
Energy: 0.8162710715105692
Energy: 0.7950678810500361
Energy: 0.8575997126431114
Energy: 0.7530411652607746
Energy: 0.7396341347074478
Energy: 0.8187455172064056
Energy: 0.742379125247948
Energy: 0.7401547735499691
Energy: 0.8553442661015302
Energy: 0.7709407067218135
Energy: 0.7989007640185118
Energy: 0.8360850928629282
Energy: 0.742620665499965
Energy: 0.8613698067450057
Energy: 0.9742109740555018
Energy: 0.8251566568076196
Energy: 0.8244413895945374
Energy: 0.8188018517202128
Energy: 0.825390444346067
Energy: 0.820881209434555
Energy: 0.9741541420347622
Energy: 0.8419823014459012
Energy: 0.8304813624241977
Energy: 0.840476025005659
Energy: 0.8280820954221281
Energy: 0.8175388387695929
Energy: 0.8543377332421291
Energy: 0.8376193218843286
Energy: 0.8364831736558994
Energy: 0.8546627120711592
Energy: 0.7740691650015603
Energy: 0.8493010209600116
Energy: 0.8496358279159226
Energy: 0.8247033282854764
Energy: 0.8233632897414865
Energy: 0.8506053160957733
Energy: 0.8303726874875995
Energy: 0.8234809965369886
Energy: 0.7414150515192127
Energy: 0.858707520077353
Energy: 0.7385450706442058
Energy: 0.7420581276740552
Energy: 0.8561646467822085
Energy: 0.7389663040405235
Energy: 0.7431210009805989
Energy: 0.834506709441248
Energy: 0.8413762274632476
Energy: 0.7418942057502022
Energy: 0.8339149721439488
Energy: 0.7715807580776639
Energy: 0.8265159359570731
Energy: 0.8253134267147536
Energy: 0.8243555946937082
Energy: 0.8269353549460172
Energy: 0.8077010523416064
Energy: 0.8266345596570386
Energy: 0.8295723113339524
Energy: 0.8259093976604609
Energy: 0.833013434813136
Energy: 0.8298549939064493
Energy: 0.8245920740203936
Energy: 0.8362381711668723
Energy: 0.7735930159170411
Energy: 0.8586359656443853
Energy: 0.8539641845933653
Energy: 0.7740792085524489
Energy: 0.8332135415846126
Energy: 0.8544285754310492
Energy: 0.8348254849485324
Energy: 0.8437678156549578
Energy: 0.8197599792748053
Energy: 0.8155602300638354
Energy: 0.8435815492458373
Energy: 0.8178200885209499
Energy: 0.8509101491807793
Energy: 0.7448147784281753
Energy: 0.7551315656303769
Energy: 0.8583605880605152
Energy: 0.7427939948679406
Energy: 0.7391147202515786
Energy: 0.8624333892915
Energy: 0.744546626886427
Energy: 0.7536890528340016
Energy: 0.8599996810061973
Energy: 0.742552234397362
Energy: 0.7391373204495473
Energy: 0.9720713424630812
Energy: 0.8163643026245627
Energy: 0.8189881592419648
Energy: 0.8100186115249345
Energy: 0.8421450918123594
Energy: 0.8187002733657864
Energy: 0.7729614791746396
Energy: 0.7911522110742376
Energy: 0.7979232833530239
Energy: 0.7737338081098579
Energy: 0.7879487563800391
Energy: 0.7893344384777202
Energy: 0.8626492067015359
Energy: 0.7868633509675944
Energy: 0.802296409124833
Energy: 0.8219226452965898
Energy: 0.8356451608238185
Energy: 0.8619029937402779
Energy: 0.8607473279422186
Energy: 0.785559495951911
Energy: 0.7879869241909351
Energy: 0.8218316431539507
Energy: 0.7937106221379996
Energy: 0.8384531480230871
Energy: 0.7968338168161081
Energy: 0.8119269538721208
Energy: 0.8150684824284506
Energy: 0.7435771970031688
Energy: 0.8098278760891738
Energy: 0.8295471066489917

minimum gb energy = 0.7385320899156702 eV
minimum distance =  2.68387167051009 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.123527545651446
Energy: 0.8714817989977337
Energy: 1.097834517854713
Energy: 0.7814534420468404
Energy: 0.8353259961540531
Energy: 1.0977372664789005
Energy: 0.8179222206373202
Energy: 0.7916899861704748
Energy: 0.8092149372387192
Energy: 0.7965583988098849
Energy: 0.8048597035706399
Energy: 0.807022659917817
Energy: 0.8128623496096274
Energy: 0.7779137302402602
Energy: 0.7797046578400871
Energy: 0.8062170514049429
Energy: 0.770532253924749
Energy: 0.7784004516914058
Energy: 0.8159330406251785
Energy: 0.8045345820407941
Energy: 0.803398816051316
Energy: 0.7885841384411674
Energy: 0.7707959084981598
Energy: 0.8030620053392699
Energy: 0.7889799249278544
Energy: 0.7925479704607507
Energy: 0.7794125864142271
Energy: 0.7905731117641384
Energy: 0.8123600858436446
Energy: 0.7779337923286682
Energy: 0.7957286212365409
Energy: 0.8040999045058509
Energy: 0.8034473361823585
Energy: 0.7971251335824934
Energy: 0.8048662113130853
Energy: 0.8032561929013602
Energy: 0.7874620525683554
Energy: 0.7606884058090209
Energy: 0.7792350345273922
Energy: 0.8101825475646885
Energy: 0.7863844750234895
Energy: 0.7746474158209463
Energy: 0.8077583101319249
Energy: 0.7830463575809888
Energy: 0.7788312192932304
Energy: 0.7917244359491366
Energy: 0.7853477031590064
Energy: 0.8171494156418769
Energy: 0.7663309550567977
Energy: 0.7789609904157576
Energy: 0.7762255463088034
Energy: 0.7698532435545646
Energy: 0.789242419157466
Energy: 0.7776633018198643
Energy: 0.7792589699192938
Energy: 0.8041191102556162
Energy: 0.8014000884216997
Energy: 0.7841016507390633
Energy: 0.800267018741986
Energy: 0.7835822718649889
Energy: 0.8624001915924056
Energy: 0.7721252684101668
Energy: 0.7704275190658723
Energy: 0.8634175678465127
Energy: 0.766692840834828
Energy: 0.7714783289850036
Energy: 0.8102305068042802
Energy: 0.7758336666081613
Energy: 0.7731709219073347
Energy: 0.7977188183809103
Energy: 0.7875242082954002
Energy: 0.796303717044998
Energy: 0.8038228031641343
Energy: 0.7922330303409773
Energy: 0.7950805954072786
Energy: 0.7816488181656229
Energy: 0.8004620868561774
Energy: 0.7909630409593766
Energy: 0.8419419579713223
Energy: 0.7987626582611915
Energy: 0.7987988271119656
Energy: 0.7446643016667549
Energy: 0.7742804399439114
Energy: 0.7889635123074423
Energy: 0.8099674871199867
Energy: 0.7513845862269837
Energy: 0.7576003180816453
Energy: 0.8068860247924272
Energy: 0.7477042225950962
Energy: 0.7665191478018551
Energy: 0.8103096531468013
Energy: 0.7635964122666151
Energy: 0.7760447189979132
Energy: 0.7864005953647398
Energy: 0.7463438513926036
Energy: 0.7730632125751281
Energy: 0.7798029958432215
Energy: 0.7985379427030036
Energy: 0.783965221363998
Energy: 0.7486124538411423
Energy: 0.7999243507570067
Energy: 0.7860479190958933
Energy: 0.828241849460244
Energy: 0.7909338007787019
Energy: 0.790201510982536
Energy: 0.7430157793016587
Energy: 0.7947755445052894
Energy: 0.7789993578749898
Energy: 0.8079942967606141
Energy: 0.7789493736852334
Energy: 0.7706329862816197
Energy: 0.8021187010677198
Energy: 0.745622517636115
Energy: 0.7855808375237192
Energy: 0.8186195687991233
Energy: 0.7596970868894303
Energy: 0.7601242081332797
Energy: 0.8175064546933871
Energy: 0.7457648251594879
Energy: 0.78587210620169
Energy: 0.7462226455658706
Energy: 0.7760893840460338
Energy: 0.7734289332410478
Energy: 0.7464726146012678
Energy: 0.7752254767409544
Energy: 0.76652720691916
Energy: 0.7479763685630576
Energy: 0.7915739689707951
Energy: 0.7904222592958839
Energy: 0.7480065133325627
Energy: 0.7694691521802451
Energy: 0.7731481549635563
Energy: 0.7949476008469963
Energy: 0.7843349127020914
Energy: 0.7973108984583804
Energy: 0.7953164390073045
Energy: 0.8014604370520795
Energy: 0.7792851174941303
Energy: 0.8200312901344338
Energy: 0.7418588024937298
Energy: 0.7683371091143165
Energy: 0.8097208480790994
Energy: 0.7416067149497274
Energy: 0.7585084868682934
Energy: 0.8074402949512309
Energy: 0.7681140212752192
Energy: 0.7736653331862451
Energy: 0.7474605055319221
Energy: 0.8009255801593597
Energy: 0.7714993277884302
Energy: 0.7814648972103414
Energy: 0.7895213689241539
Energy: 0.7802394689783881
Energy: 0.7681886286600571
Energy: 0.790825807712853
Energy: 0.7779512734937574
Energy: 0.8124658203781745
Energy: 0.7799766340269916
Energy: 0.7803222522923242
Energy: 0.8053667390278519
Energy: 0.7775728838880621
Energy: 0.7777278895560549
Energy: 0.8174169016577167
Energy: 0.7706630503683247
Energy: 0.7721444800730313
Energy: 0.8004235787233368
Energy: 0.7706968298406531
Energy: 0.7769390976700874
Energy: 0.8288678597367358
Energy: 0.779405644767289
Energy: 0.796007200169167
Energy: 0.7407622306744295
Energy: 0.7795996205590753
Energy: 0.7650859778746153

minimum gb energy = 0.7407622306744295 eV
minimum distance =  2.6869570563211 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.0589405113241575
Energy: 0.7381257496801873
Energy: 0.8138678482447007
Energy: 0.767854882938107
Energy: 0.8218858264892515
Energy: 0.9566671811131304
Energy: 0.7988604898084165
Energy: 0.7653086071422546
Energy: 0.7637345748105586
Energy: 0.7396717018024367
Energy: 0.7717827528759119
Energy: 0.7632499022020323
Energy: 0.8005895811783972
Energy: 0.7382101139011171
Energy: 0.7516299780021112
Energy: 0.7876794801007816
Energy: 0.7372440745762278
Energy: 0.7520010183705134
Energy: 0.7852905300675305
Energy: 0.7620611197797063
Energy: 0.7608176325725857
Energy: 0.76562633257316
Energy: 0.7602753916301218
Energy: 0.7608233185125034
Energy: 0.7566746117144392
Energy: 0.7656868646065557
Energy: 0.7667409879352832
Energy: 0.7567756880479332
Energy: 0.7877812326537126
Energy: 0.7535670046763051
Energy: 0.773806118897982
Energy: 0.7620106188272006
Energy: 0.7611440230481811
Energy: 0.7767539032449358
Energy: 0.7618530640778105
Energy: 0.7609685644038923
Energy: 0.7872045198636621
Energy: 0.7474770982579744
Energy: 0.7486224236235167
Energy: 0.7786645562467922
Energy: 0.7453593667290465
Energy: 0.7571057772137217
Energy: 0.7632183204982306
Energy: 0.7612749579005861
Energy: 0.7642253356098002
Energy: 0.7419731049819158
Energy: 0.7574352948300738
Energy: 0.7679418788615572
Energy: 0.7327176451611073
Energy: 0.7544238035252273
Energy: 0.7425451218086482
Energy: 0.7337280088944256
Energy: 0.7553008338132786
Energy: 0.7379246372413432
Energy: 0.7354494934739009
Energy: 0.7661582696881456
Energy: 0.7638421514785649
Energy: 0.7427257527848854
Energy: 0.7643597019833813
Energy: 0.7638519464052663
Energy: 0.8703953189505907
Energy: 0.7568965501824274
Energy: 0.7443130548277537
Energy: 0.8679672469290175
Energy: 0.7088958409640524
Energy: 0.7647389088225458
Energy: 0.7950082902501026
Energy: 0.7416465769584265
Energy: 0.7654154638668998
Energy: 0.7814427173306819
Energy: 0.7426488438400011
Energy: 0.7641921186931503
Energy: 0.7584226877369346
Energy: 0.7619729764682391
Energy: 0.7519184759173705
Energy: 0.7313409312939779
Energy: 0.7986012732662588
Energy: 0.7429070744265753
Energy: 0.758538162559824
Energy: 0.765014746573032
Energy: 0.7639183966545898
Energy: 0.734010400501046
Energy: 0.7530078533808671
Energy: 0.7648189802819353
Energy: 0.8019011503837998
Energy: 0.7387456687668489
Energy: 0.7375264617141937
Energy: 0.7844602599064618
Energy: 0.7382590862326387
Energy: 0.7473401466155574
Energy: 0.7999190704943473
Energy: 0.7371332196413887
Energy: 0.7454529625763797
Energy: 0.7523898230131851
Energy: 0.738353315716403
Energy: 0.7605171956203236
Energy: 0.7600679263694099
Energy: 0.7998228781245249
Energy: 0.7629546380728485
Energy: 0.7098125005562358
Energy: 0.8001343254523929
Energy: 0.7077850189411921
Energy: 0.8503820929889125
Energy: 0.7576638750056403
Energy: 0.7499743672298746
Energy: 0.7594642401087138
Energy: 0.7628832863020195
Energy: 0.7660610840825096
Energy: 0.8006570806308726
Energy: 0.7383612643404582
Energy: 0.7409557546366545
Energy: 0.766580942917004
Energy: 0.7381780100428708
Energy: 0.7434003175796728
Energy: 0.7855227156735686
Energy: 0.7384002853231857
Energy: 0.738647800592508
Energy: 0.7812116153376496
Energy: 0.7375199734126089
Energy: 0.7601030399338993
Energy: 0.751857108904109
Energy: 0.7622322265206438
Energy: 0.7520868404331571
Energy: 0.7538329470073137
Energy: 0.7662322329307449
Energy: 0.7558622090162368
Energy: 0.7597748267667143
Energy: 0.7387347501658572
Energy: 0.7615821606570611
Energy: 0.7603717977112094
Energy: 0.7528204634876484
Energy: 0.7595276305727342
Energy: 0.7743700073510777
Energy: 0.7419658453222302
Energy: 0.7469146108310395
Energy: 0.774531938830583
Energy: 0.7467464059005369
Energy: 0.7475631362215893
Energy: 0.7634921507353485
Energy: 0.7398532145437258
Energy: 0.7633302363667414
Energy: 0.7736578984544578
Energy: 0.7393858504457481
Energy: 0.7738173807011349
Energy: 0.7323141536440883
Energy: 0.7412000501189931
Energy: 0.7389595980076605
Energy: 0.732402271502743
Energy: 0.7543338636005941
Energy: 0.7384036652024412
Energy: 0.7346118010905641
Energy: 0.7642501211589718
Energy: 0.759657956308507
Energy: 0.7351420204561897
Energy: 0.7681978543891548
Energy: 0.7589501700916087
Energy: 0.7776244231004771
Energy: 0.7152195431936267
Energy: 0.7110845430584942
Energy: 0.7782288056672498
Energy: 0.7126121470179416
Energy: 0.7120736985508217
Energy: 0.7996873876302116
Energy: 0.7103878711120111
Energy: 0.7407746535132773
Energy: 0.7818580753764703
Energy: 0.7095762095772443
Energy: 0.7645901916080687
Energy: 0.7581474178544626
Energy: 0.7618131493639174
Energy: 0.7548078710703698
Energy: 0.7300770550654415
Energy: 0.7870298266975712
Energy: 0.7530582390057794
Energy: 0.7576003290169881
Energy: 0.7606929995687371
Energy: 0.7503632381517498
Energy: 0.7307967918790685
Energy: 0.7591930798921559
Energy: 0.748573051956716
Energy: 0.7983237136063571
Energy: 0.7422572765460396
Energy: 0.7416523456574405
Energy: 0.7731705421712033
Energy: 0.7375696101244139
Energy: 0.7599172760229471
Energy: 0.8004810947190333
Energy: 0.7373367716163998
Energy: 0.7376690048895841
Energy: 0.7655831847459523
Energy: 0.7380511386236485
Energy: 0.7391806740312374
Energy: 0.7609073244558088
Energy: 0.769240231029688
Energy: 0.7130441721025611
Energy: 0.7078589104586308
Energy: 0.7913967807152434
Energy: 0.7435980427245494

minimum gb energy = 0.7077850189411921 eV
minimum distance =  2.66654103259719 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.010136501233790847
Energy: 0.5801806031361764
Energy: 0.010557219978957595
Energy: 0.011376901136221002
Energy: 0.5811909283286856
Energy: 0.010505868161317445
Energy: 0.3158225021889096
Energy: 0.07917043018460529
Energy: 0.07820430718236906
Energy: 0.07803163419273254
Energy: 0.07822502792820284
Energy: 0.07794280123339475
Energy: 0.8233525767868369
Energy: 0.5807868839364355
Energy: 0.580220098518307
Energy: 0.5796459868726411
Energy: 0.5796235074458708
Energy: 0.579779629372335
Energy: 0.010717021408710257
Energy: 0.07917043018427743
Energy: 0.07820430718236906
Energy: 0.07803163419205753
Energy: 0.0782250279268335
Energy: 0.07794280123306689

minimum gb energy = 0.010136501233790847 eV
minimum distance =  2.85570229524035 Angstroms
sigma value = 1