Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650807976723
cohesive_energy=3.3602642809003944
mass=26.981538
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=[2.06278639450866e-19, 2.6499200438043e-19, 3.0794475776133597e-19, 3.4213040060099395e-19, 3.70496937905964e-19, 3.9460328754112796e-19, 4.1539633589717995e-19, 4.3350093186138e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-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: 0.01035319820515868
Energy: 0.26760454186826316
Energy: 0.010925932236837764
Energy: 0.012019446929497368
Energy: 0.2679307097404103
Energy: 0.010818130584639665
Energy: 0.26760454187781074
Energy: 0.04968656766492839
Energy: 0.04976170698985527
Energy: 0.049826785138990415
Energy: 0.04964891887637711
Energy: 0.04974138571340983
Energy: 0.010925932237088284
Energy: 0.04976170698985527
Energy: 0.05155528615007003
Energy: 0.011183069683592329
Energy: 0.04978955028057955
Energy: 0.05103002328573541
Energy: 0.012019446929274681
Energy: 0.049826785138990415
Energy: 0.011183069683341809
Energy: 0.010557013452625233
Energy: 0.04989316988304767
Energy: 0.011973224736728605
Energy: 0.2679307082892051
Energy: 0.04964891887662763
Energy: 0.04978955028083007
Energy: 0.04989316988282499
Energy: 0.04967420618260371
Energy: 0.04986939013591932
Energy: 0.010818130585140704
Energy: 0.04974138571315931
Energy: 0.05103002328573541
Energy: 0.011973224736979123
Energy: 0.049869390136392515
Energy: 0.010830763469273478

minimum gb energy = 0.01035319820515868 eV
minimum distance =  2.85320403942642 Angstroms
sigma value = 1


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

Energy: 0.7454299407347856
Energy: 0.5914938028674014
Energy: 0.5544767456839429
Energy: 0.5638770714407865
Energy: 0.5808176275221368
Energy: 0.5550045987588066
Energy: 0.718818752415851
Energy: 0.5310235491739872
Energy: 0.5309633239196193
Energy: 0.5531966276071385
Energy: 0.5311971406071161
Energy: 0.5306916089322516
Energy: 0.7646813247498949
Energy: 0.5308839103195756
Energy: 0.5310886862572317
Energy: 0.542696718553404
Energy: 0.5308779230103233
Energy: 0.5307805434669074
Energy: 0.76629588380848
Energy: 0.5309102261519565
Energy: 0.5399344296391121
Energy: 0.542783421595606
Energy: 0.5310833602174272
Energy: 0.5375779106661682
Energy: 0.7201769630904381
Energy: 0.5351360955703058
Energy: 0.5452084087702316
Energy: 0.5591780260317956
Energy: 0.5324675211757676
Energy: 0.5552591904241901
Energy: 0.7117075649092486
Energy: 0.5537055814418337
Energy: 0.5574473811759387
Energy: 0.5645683985607858
Energy: 0.5516546528582668
Energy: 0.5585828893624878
Energy: 0.7139042698881745
Energy: 0.5582971084314774
Energy: 0.5564481588643689
Energy: 0.5621340847526075
Energy: 0.5709066280821906
Energy: 0.5599228735423488
Energy: 0.6835022919265235
Energy: 0.5608013661086729
Energy: 0.55557328104934
Energy: 0.5572010840352519
Energy: 0.5451038238008687
Energy: 0.5567728908623276
Energy: 0.6154628006173724
Energy: 0.5592246737796599
Energy: 0.5582804846517623
Energy: 0.5531059101274444
Energy: 0.564056530153794
Energy: 0.5563522169117984
Energy: 0.6157905657416294
Energy: 0.5538351288316798
Energy: 0.5413359866999169
Energy: 0.5332983154194718
Energy: 0.5535511998055611
Energy: 0.5307523420881961
Energy: 0.5890590547424787
Energy: 0.5476572483584676
Energy: 0.5476780243385931
Energy: 0.631819796790937
Energy: 0.5434085273573438
Energy: 0.5307566845787373
Energy: 0.5327928416599901
Energy: 0.5427659024293946
Energy: 0.5306218596565172
Energy: 0.5327274447619673
Energy: 0.5160396003656251
Energy: 0.5308427384646716
Energy: 0.5309810689680982
Energy: 0.5338057982961254
Energy: 0.5309149144675211
Energy: 0.5311298886047622
Energy: 0.5346031597093837
Energy: 0.5310158809833034
Energy: 0.5594807313167868
Energy: 0.545282213806369
Energy: 0.5413353387845238
Energy: 0.5309272961843593
Energy: 0.5380114833168519
Energy: 0.5312144730533361
Energy: 0.5605598586057848
Energy: 0.5336580268762259
Energy: 0.5310152685353287
Energy: 0.5331425257296134
Energy: 0.5606827064213096
Energy: 0.531097278726784
Energy: 0.5613900504315212
Energy: 0.5440581487537147
Energy: 0.5444671254602247
Energy: 0.5482028846567859
Energy: 0.5509061155275252
Energy: 0.5443190398779465
Energy: 0.6695663928221246
Energy: 0.5527746131673515
Energy: 0.555851214773542
Energy: 0.5443203444815556
Energy: 0.5541283220757899
Energy: 0.5447794431661218
Energy: 0.6661399572286858
Energy: 0.5621012079762023
Energy: 0.5585527483363762
Energy: 0.5430322538115099
Energy: 0.5582219978644875
Energy: 0.5600558194118483
Energy: 0.6585670226939809
Energy: 0.5569693058165078
Energy: 0.5592345854861253
Energy: 0.5538816591442483
Energy: 0.5496847223935201
Energy: 0.5586270020310236
Energy: 0.6787613187059673
Energy: 0.5418398422816956
Energy: 0.5599114961025632
Energy: 0.5548718898534328
Energy: 0.5447193684400036
Energy: 0.5580016695027824
Energy: 0.7336319789836562
Energy: 0.5437291165382296
Energy: 0.5478030803600914
Energy: 0.5475784315689645
Energy: 0.542595272330408
Energy: 0.5388301510281995
Energy: 0.7339920749983785
Energy: 0.5462251572359167
Energy: 0.5443589776351035
Energy: 0.5627912250818907
Energy: 0.5461070615493184
Energy: 0.5443263018798604
Energy: 0.7457439133293378
Energy: 0.5311446479981727
Energy: 0.5308395917794473
Energy: 0.5476961069349646
Energy: 0.5312146383161992
Energy: 0.5308629109557351

minimum gb energy = 0.5160396003656251 eV
minimum distance =  2.64016174095072 Angstroms
sigma value = 33


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

Energy: 1.0150598126163848
Energy: 0.5428460215363712
Energy: 0.5489137390060138
Energy: 0.5472553042546718
Energy: 0.5883371866897953
Energy: 0.5849940727730569
Energy: 0.7309498785080359
Energy: 0.5408990653047582
Energy: 0.5411365934043405
Energy: 0.5599573103149238
Energy: 0.5423666769628347
Energy: 0.5803370085402988
Energy: 0.6892298049336443
Energy: 0.5803723169799765
Energy: 0.5562914751636647
Energy: 0.5609322757567289
Energy: 0.5581426686715036
Energy: 0.5793313818916938
Energy: 0.7411438073739154
Energy: 0.5772241247655447
Energy: 0.5795894320212979
Energy: 0.564242571887105
Energy: 0.5792004893839469
Energy: 0.5622447318112126
Energy: 0.6987604091301803
Energy: 0.5785945675646733
Energy: 0.580065143773361
Energy: 0.5672121099437869
Energy: 0.5801232048690843
Energy: 0.578386633177327
Energy: 0.739905607891563
Energy: 0.5830609496673805
Energy: 0.5813777233159033
Energy: 0.5950655793406159
Energy: 0.5786584721797725
Energy: 0.5929467947926415
Energy: 0.7391683459100714
Energy: 0.5900740687605828
Energy: 0.5869472423015932
Energy: 0.5814386511711624
Energy: 0.5889337586842712
Energy: 0.5874998449252504
Energy: 0.6956307402845557
Energy: 0.5653308132629099
Energy: 0.5710339677744389
Energy: 0.5987326962547928
Energy: 0.5662529795356185
Energy: 0.5698978912525327
Energy: 0.6318142066716901
Energy: 0.5737344269856874
Energy: 0.5874462528971623
Energy: 0.579324807781931
Energy: 0.5649800375514326
Energy: 0.5844371537207146
Energy: 0.634035162467287
Energy: 0.584350530812007
Energy: 0.5760297260220182
Energy: 0.5754963647025791
Energy: 0.5839463177581485
Energy: 0.5742566806452313
Energy: 0.6134491960291614
Energy: 0.5298574162961783
Energy: 0.529339813256442
Energy: 0.6126599322755161
Energy: 0.5297988691200299
Energy: 0.5293554623257434
Energy: 0.5758272171873292
Energy: 0.5296505846228086
Energy: 0.5736845026572918
Energy: 0.5734611518295367
Energy: 0.5501273307846366
Energy: 0.5748686965225445
Energy: 0.5760845945293546
Energy: 0.5844726111180859
Energy: 0.573033732170446
Energy: 0.5735681080475021
Energy: 0.582986793171624
Energy: 0.5743620546899554
Energy: 0.635326597696447
Energy: 0.5623191698334573
Energy: 0.5622945629605729
Energy: 0.5748086636402099
Energy: 0.564650365577289
Energy: 0.5751796416680588
Energy: 0.6283297370678449
Energy: 0.5979266219424315
Energy: 0.5743298972728987
Energy: 0.5759971743353357
Energy: 0.5894448260706949
Energy: 0.5745600251875721
Energy: 0.6271986687129855
Energy: 0.5919153028175784
Energy: 0.591237688877211
Energy: 0.5799476888909832
Energy: 0.5906601247181105
Energy: 0.5943164426508168
Energy: 0.6880825955943085
Energy: 0.59055944964289
Energy: 0.5890392000379874
Energy: 0.6048742926235121
Energy: 0.5895980460250572
Energy: 0.5734773857927349
Energy: 0.6811569324926839
Energy: 0.595427379996425
Energy: 0.5906397391008787
Energy: 0.5602563512184487
Energy: 0.6002907443630677
Energy: 0.5700210829939825
Energy: 0.6792160710483645
Energy: 0.5653109040101582
Energy: 0.593321255830132
Energy: 0.5650164773944218
Energy: 0.5683223893523811
Energy: 0.5493352840434972
Energy: 0.7055099011975349
Energy: 0.5413086391013342
Energy: 0.5914005837429651
Energy: 0.5907518707542005
Energy: 0.542370093796733
Energy: 0.5539445453408752
Energy: 0.7646537474975932
Energy: 0.542620202569503
Energy: 0.5533608296338698
Energy: 0.5528929822273613
Energy: 0.5429754204091847
Energy: 0.5298995770090945
Energy: 0.7179538179395786
Energy: 0.5411360933044762
Energy: 0.5411127695919633
Energy: 0.5625369864653551
Energy: 0.5407948744491142
Energy: 0.5407494514539555
Energy: 0.6980746509572899
Energy: 0.5584208134939939
Energy: 0.5806805410955916
Energy: 0.590426718764137
Energy: 0.5415145354109523
Energy: 0.5570987053838578
Energy: 0.7428943914818683
Energy: 0.6088055949873543
Energy: 0.5862898559924449
Energy: 0.5624971945695015
Energy: 0.6289433745735786
Energy: 0.5750199240834662
Energy: 0.6984085769044844
Energy: 0.5805637026331996
Energy: 0.5782913487642903
Energy: 0.5979311293105443
Energy: 0.5793552759924431
Energy: 0.5794649700905445
Energy: 0.7431532270203606
Energy: 0.5833255677532864
Energy: 0.5916357462872495
Energy: 0.592873149601792
Energy: 0.5837254458346646
Energy: 0.5955708538510475
Energy: 0.7431714607350531
Energy: 0.5863121523895575
Energy: 0.5869308790109408
Energy: 0.5866822194486634
Energy: 0.5898185293510506
Energy: 0.5864985396544794
Energy: 0.6973491359413221
Energy: 0.568662268750624
Energy: 0.5699378386334758
Energy: 0.5984638343828481
Energy: 0.5645650651059892
Energy: 0.5890501422327048
Energy: 0.6358844067251062
Energy: 0.5735381915789047
Energy: 0.5732419650799191
Energy: 0.5875242139377089
Energy: 0.5757839730354191
Energy: 0.5880720813992899
Energy: 0.6326924519912219
Energy: 0.5848133166265235
Energy: 0.5848628003436882
Energy: 0.5842234757657327
Energy: 0.5783883982517998
Energy: 0.5850873877021816
Energy: 0.6338681096160826
Energy: 0.5296105125160987
Energy: 0.5296778212546472
Energy: 0.5733886772756922
Energy: 0.5301685366299874
Energy: 0.529840932202645
Energy: 0.5797867709628305
Energy: 0.5297293982788648
Energy: 0.5296681953742478
Energy: 0.5783115458493157
Energy: 0.5463919262862268
Energy: 0.5731702690792202
Energy: 0.5754145085431223
Energy: 0.5834941454264395
Energy: 0.5744986979737492
Energy: 0.5746142090793322
Energy: 0.584066519242057
Energy: 0.5748439877556848
Energy: 0.5741378652109687
Energy: 0.56230724379018
Energy: 0.5625064830399205
Energy: 0.5732163087936808
Energy: 0.5624040319831287
Energy: 0.5628730228293983
Energy: 0.6255775062461509
Energy: 0.5815680624181264
Energy: 0.573975964120978
Energy: 0.5755590671031967
Energy: 0.5899983397856716
Energy: 0.5746161721623539
Energy: 0.6256089954492525
Energy: 0.5919529656384436
Energy: 0.5893132242107328
Energy: 0.5927684828672658
Energy: 0.5896450624142782
Energy: 0.5904298120727562
Energy: 0.6246919542280134
Energy: 0.604106282050523
Energy: 0.5954580054286783
Energy: 0.5829543157493339
Energy: 0.5916401744000683
Energy: 0.6008917216890548
Energy: 0.6787953010391792
Energy: 0.5909502100442309
Energy: 0.5932467984896552
Energy: 0.5539054558072556
Energy: 0.5930339919963503
Energy: 0.5906357861397461
Energy: 0.6816201546787982
Energy: 0.5950738161014989
Energy: 0.5496569602184855
Energy: 0.5525332625888015
Energy: 0.5616292124736816
Energy: 0.5702240093630513
Energy: 0.6988354350198398
Energy: 0.5733039073129064
Energy: 0.5532696658901912
Energy: 0.5580100093644191
Energy: 0.5519527781812029
Energy: 0.5919496748742574
Energy: 0.8109297568006392
Energy: 0.5406405837783055
Energy: 0.52975507252779
Energy: 0.5303428336083534
Energy: 0.5408818961904072
Energy: 0.5522732710254512

minimum gb energy = 0.529339813256442 eV
minimum distance =  2.53122671408326 Angstroms
sigma value = 51


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

Energy: 0.8952480447899679
Energy: 0.5929362796976768
Energy: 0.5989055595597487
Energy: 0.7080250331262486
Energy: 0.5794571650162622
Energy: 0.5759724360618842
Energy: 0.6429029911310649
Energy: 0.548888949882878
Energy: 0.5493506753610579
Energy: 0.5185083030805965
Energy: 0.5492963614156567
Energy: 0.5489854673640312
Energy: 0.6745349867419189
Energy: 0.5488105507630212
Energy: 0.5487892280888401
Energy: 0.545522324840695
Energy: 0.5493088106420251
Energy: 0.5491685277031675
Energy: 0.7169041543854384
Energy: 0.551224874862247
Energy: 0.5337177292872314
Energy: 0.5364979684278498
Energy: 0.6024730874473455
Energy: 0.5380372521777476
Energy: 0.6427538160780716
Energy: 0.5494089390442269
Energy: 0.5498466509580074
Energy: 0.5401671597245632
Energy: 0.5517700287289388
Energy: 0.5611532440190331
Energy: 0.6460332189280898
Energy: 0.5463077659752884
Energy: 0.5510458214346595
Energy: 0.541050450639254
Energy: 0.5457402940893403
Energy: 0.5536208298077491
Energy: 0.6502275326610907
Energy: 0.5554371649629728
Energy: 0.5540607405729517
Energy: 0.5404213176414715
Energy: 0.5528009356582267
Energy: 0.5619232951517801
Energy: 0.621978068036556
Energy: 0.5236086619502008
Energy: 0.5239105569897955
Energy: 0.582668751902376
Energy: 0.5407796638753785
Energy: 0.5236698462101748
Energy: 0.5518172871862058
Energy: 0.5622849282011607
Energy: 0.5619551132729674
Energy: 0.5514977424662001
Energy: 0.5491670051465671
Energy: 0.5490548237484516
Energy: 0.5503673929081114
Energy: 0.5495797631600589
Energy: 0.5492920250428026
Energy: 0.5504273836248147
Energy: 0.5316478092098108
Energy: 0.5489992209002087
Energy: 0.5515213625018878
Energy: 0.5510807727376273
Energy: 0.5504788916737483
Energy: 0.5503818744261935
Energy: 0.5325694984587096
Energy: 0.5509712150633955
Energy: 0.5893598429989472
Energy: 0.5499511248151983
Energy: 0.549393009396508
Energy: 0.5495726125284122
Energy: 0.5527452854760239
Energy: 0.5492393011069996
Energy: 0.5816903254064795
Energy: 0.5487607903997616
Energy: 0.5751679290117233
Energy: 0.5658361675615088
Energy: 0.5663033445348015
Energy: 0.5544912086260447
Energy: 0.580773071142877
Energy: 0.5369747697948729
Energy: 0.5370202293360831
Energy: 0.5500344263375054
Energy: 0.5369786651264395
Energy: 0.5548725341230478
Energy: 0.6833794277002236
Energy: 0.55600129821061
Energy: 0.5751051973391156
Energy: 0.5716512033051676
Energy: 0.5554222673804541
Energy: 0.5491305221810043
Energy: 0.6794005428643346
Energy: 0.5446978798011834
Energy: 0.5544294811693028
Energy: 0.5470843605731692
Energy: 0.5536920047373122
Energy: 0.5472694096538111
Energy: 0.6786770880720747
Energy: 0.5541693824090844
Energy: 0.5536436832134253
Energy: 0.5650398748496981
Energy: 0.567315615349961
Energy: 0.5538747572714803
Energy: 0.7523724206476546
Energy: 0.549086060166208
Energy: 0.5397825337312933
Energy: 0.558361304011836
Energy: 0.5492811356611036
Energy: 0.5392472359767932

minimum gb energy = 0.5185083030805965 eV
minimum distance =  2.64447375472207 Angstroms
sigma value = 19


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

Energy: 0.7498986335811386
Energy: 0.5117760732642488
Energy: 0.5219538703774815
Energy: 0.6202710839236604
Energy: 0.5108329401668648
Energy: 0.6225729632590837
Energy: 0.6295788442348951
Energy: 0.5111150332158891
Energy: 0.5122790969783965
Energy: 0.5047687879216323
Energy: 0.5115039315574731
Energy: 0.5118238375839035
Energy: 0.5924776378719897
Energy: 0.5119875619105833
Energy: 0.5122906452392506
Energy: 0.5255039801589074
Energy: 0.5116836329133384
Energy: 0.5718426431363755
Energy: 0.6273764245060869
Energy: 0.5116990001040707
Energy: 0.5121988886815174
Energy: 0.5239698311389118
Energy: 0.5532049066285843
Energy: 0.5125646576939341
Energy: 0.5525521493495472
Energy: 0.5114127130830332
Energy: 0.5116125264592475
Energy: 0.5047277609942413
Energy: 0.5116675420770461
Energy: 0.5114373477945737
Energy: 0.5924263815265723
Energy: 0.5012061545439264
Energy: 0.5258000141914685
Energy: 0.525350152624788
Energy: 0.5011088448670569
Energy: 0.5249937316922504
Energy: 0.5920715975549378
Energy: 0.525864093267905
Energy: 0.5254566958129505
Energy: 0.5116835152857198
Energy: 0.5048550502082267
Energy: 0.5115884625154848
Energy: 0.5521836509715268
Energy: 0.464981757580062
Energy: 0.5013966060345025
Energy: 0.5525053509243377
Energy: 0.4651038721309018
Energy: 0.5014624721238335
Energy: 0.5112512689219841
Energy: 0.5199644856685232
Energy: 0.5216838250415631
Energy: 0.5110279585916785
Energy: 0.5010361035941571
Energy: 0.519836955203695
Energy: 0.5127195436750941
Energy: 0.5263558358731062
Energy: 0.5115310055229098
Energy: 0.511641675474111
Energy: 0.5042549568283256
Energy: 0.5112953789601753
Energy: 0.5105394552485416
Energy: 0.5669802197472152
Energy: 0.5676069813723252
Energy: 0.5107721599604911
Energy: 0.568166807737908
Energy: 0.5122459193406448
Energy: 0.628555852021279
Energy: 0.5249103053242208
Energy: 0.5261933491511362
Energy: 0.5118024046441375
Energy: 0.5255867126919652
Energy: 0.5112623877182533
Energy: 0.5006802809471257
Energy: 0.5111703390617698
Energy: 0.5261650906826305
Energy: 0.5023139875456573
Energy: 0.5120818702589935
Energy: 0.5251170996778645
Energy: 0.6291684666805581
Energy: 0.5255552955968562
Energy: 0.5264782546448514
Energy: 0.5119897329307248
Energy: 0.5701639912144935
Energy: 0.5255035767951588
Energy: 0.7422952494479946
Energy: 0.512268725041964
Energy: 0.5119250004103088
Energy: 0.5008622215640697
Energy: 0.5115465033196065
Energy: 0.5213448543940158
Energy: 0.6804797663628833
Energy: 0.5113311209734713
Energy: 0.5016372558282054
Energy: 0.48472511297376925
Energy: 0.5108967187675248
Energy: 0.5017512148225528
Energy: 0.6285324583043045
Energy: 0.5111952535741545
Energy: 0.5118678755700737
Energy: 0.5050975158312053
Energy: 0.511901507371419
Energy: 0.5115505377769197
Energy: 0.6304660035352425
Energy: 0.5116511234762052
Energy: 0.5120239281330567
Energy: 0.5073101207800568
Energy: 0.511108312540972
Energy: 0.5122805361262464
Energy: 0.6275705629116772
Energy: 0.5118850404115736
Energy: 0.5255375416187058
Energy: 0.5072152539858381
Energy: 0.5114437193425417
Energy: 0.5249616088982407
Energy: 0.6288240686608074
Energy: 0.5011103717579471
Energy: 0.5112253567509722
Energy: 0.5119235206269327
Energy: 0.5010008167876885
Energy: 0.5252333126008539
Energy: 0.6277718862643208
Energy: 0.5115233388321584
Energy: 0.511715435539554
Energy: 0.5687773629015132
Energy: 0.5116406826382167
Energy: 0.5253765042593028
Energy: 0.6288076757923305
Energy: 0.5252184736052361
Energy: 0.5266884424129312
Energy: 0.5116955496265726
Energy: 0.525849979012465
Energy: 0.5112765707843097
Energy: 0.5544264213894977
Energy: 0.5012092757382448
Energy: 0.5007907506482046
Energy: 0.5545008630108628
Energy: 0.5015235814701847
Energy: 0.5226486742708063
Energy: 0.5113669826985393
Energy: 0.5267913606176012
Energy: 0.5118278509426784
Energy: 0.5114003549465955
Energy: 0.5007407902753404
Energy: 0.5111129507902643
Energy: 0.5114684544922573
Energy: 0.5250428813305336
Energy: 0.5256465287223817
Energy: 0.5115944590948367
Energy: 0.5257730226209295
Energy: 0.5115954597328922
Energy: 0.5533060810724776
Energy: 0.5246395216602223
Energy: 0.5248904629933879
Energy: 0.5538083938210931
Energy: 0.5690951719032169
Energy: 0.5122002196361293
Energy: 0.5918896136317069
Energy: 0.5261511744235584
Energy: 0.5708933414967178
Energy: 0.5115373353676044
Energy: 0.5044486463251685
Energy: 0.5115205505059758
Energy: 0.5007811025981164
Energy: 0.5092121266517415
Energy: 0.5256127926807344
Energy: 0.5008822568038827
Energy: 0.5254169929959613
Energy: 0.5250830301715529
Energy: 0.5516927683707855
Energy: 0.5112028395903603
Energy: 0.5262310824199621
Energy: 0.5120569152656415
Energy: 0.5116014206578022
Energy: 0.5253805593958125
Energy: 0.6822068529362688
Energy: 0.5113749942744784
Energy: 0.501255945274092
Energy: 0.46497437909640854
Energy: 0.5525468059842119
Energy: 0.5011622892288667

minimum gb energy = 0.46497437909640854 eV
minimum distance =  2.7025748841414 Angstroms
sigma value = 27


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

Energy: 0.6407608467847046
Energy: 0.5293792412047176
Energy: 0.593429165875014
Energy: 0.5742344158000375
Energy: 0.6825872186506191
Energy: 0.5939922414491375
Energy: 0.6057673416939187
Energy: 0.5296004952451021
Energy: 0.5296141049726595
Energy: 0.5366425027766963
Energy: 0.5294724898012347
Energy: 0.5297707208515731
Energy: 0.573578743827117
Energy: 0.5306492224497498
Energy: 0.5287770200764818
Energy: 0.5086602047634418
Energy: 0.5314118508787288
Energy: 0.5289956038067697
Energy: 0.5759556315365285
Energy: 0.5539206699494911
Energy: 0.5295799962946125
Energy: 0.5114151934120222
Energy: 0.6219508113219729
Energy: 0.5066828440612877
Energy: 0.6070909294111431
Energy: 0.5564646180585919
Energy: 0.5070436341676614
Energy: 0.5557050009624043
Energy: 0.5532843146305325
Energy: 0.4908660624607403
Energy: 0.5303317321090728
Energy: 0.5573304898793471
Energy: 0.5561178064864234
Energy: 0.5303556845728397
Energy: 0.5523840696063849
Energy: 0.47939222031115003
Energy: 0.5303889961949242
Energy: 0.513497060447576
Energy: 0.5116610045187888
Energy: 0.5310434039187922
Energy: 0.524156519578796
Energy: 0.5289762512070206
Energy: 0.531348722184381
Energy: 0.505428336934622
Energy: 0.5056391919655684
Energy: 0.5312977717274302
Energy: 0.5049096964923683
Energy: 0.5282261636215146
Energy: 0.5732818870911147
Energy: 0.570745482327318
Energy: 0.5185895101009296
Energy: 0.529666137635411
Energy: 0.5042870338826605
Energy: 0.5108039757443515
Energy: 0.5753880315834167
Energy: 0.5120298027598806
Energy: 0.5194412533916091
Energy: 0.5351679599183571
Energy: 0.5304215611536646
Energy: 0.49681580330168806
Energy: 0.5732126034410735
Energy: 0.5413290559453898
Energy: 0.5426550706039206
Energy: 0.5312143978900056
Energy: 0.5405677647842251
Energy: 0.5421934253996703
Energy: 0.5362409447551385
Energy: 0.5302218529035831
Energy: 0.5301380901878913
Energy: 0.5229029455694066
Energy: 0.5299462162134697
Energy: 0.5308347436919605

minimum gb energy = 0.47939222031115003 eV
minimum distance =  2.62948199816343 Angstroms
sigma value = 9


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

Energy: 0.9559140861115466
Energy: 0.9596385462281156
Energy: 0.5301014584906388
Energy: 0.5723081941133763
Energy: 1.011000435294884
Energy: 0.5722444942273578
Energy: 0.4972961045606429
Energy: 0.48910647306308347
Energy: 0.48939664402651123
Energy: 0.5125106483786916
Energy: 0.4890919722841495
Energy: 0.4897048900658463
Energy: 0.4979152471119715
Energy: 0.47865989131149683
Energy: 0.47864084144272606
Energy: 0.4646159985820489
Energy: 0.4803343827840258
Energy: 0.4786265657674836
Energy: 0.5007188450492938
Energy: 0.4911401969929785
Energy: 0.49274413223433083
Energy: 0.46462736744854555
Energy: 0.5327594163601361
Energy: 0.4954844780004333
Energy: 0.552402849550819
Energy: 0.5528978641435341
Energy: 0.5185816843272749
Energy: 0.5522003133454181
Energy: 0.5153070943284623
Energy: 0.5256951785566261
Energy: 0.5078934517391511
Energy: 0.5777087816957397
Energy: 0.5228509383064819
Energy: 0.5078977777278764
Energy: 0.5813671328890756
Energy: 0.5127113640672822
Energy: 0.5157660307622395
Energy: 0.5054707225853854
Energy: 0.517428779892088
Energy: 0.5165921143248263
Energy: 0.4921231963613969
Energy: 0.516508724555833
Energy: 0.49950887315255044
Energy: 0.5372093696548462
Energy: 0.5026889621893927
Energy: 0.49948138790550944
Energy: 0.5386647281030735
Energy: 0.49950261743913366
Energy: 0.5283926376663189
Energy: 0.5175383866934444
Energy: 0.540413597003987
Energy: 0.5401461713596997
Energy: 0.5090467983004663
Energy: 0.4848851009753031
Energy: 0.4624653709510765
Energy: 0.5114828695105854
Energy: 0.5012809403763133
Energy: 0.4335805949397958
Energy: 0.5288926048669639
Energy: 0.4763417969227585
Energy: 0.46715711417437367
Energy: 0.4989881227593096
Energy: 0.49889955936402236
Energy: 0.4273985756129252
Energy: 0.49933950610643496
Energy: 0.4988147418524623
Energy: 0.5501602171503219
Energy: 0.5082248441460826
Energy: 0.5081580985014652
Energy: 0.5094299685317011
Energy: 0.5091485653762606
Energy: 0.5079968862869808
Energy: 0.8436137954456465
Energy: 0.4919159103906352
Energy: 0.6053741861139367
Energy: 0.5514486325196688
Energy: 0.4920329743754758
Energy: 0.5502790725299614
Energy: 0.5314641417180511
Energy: 0.5004146973897254
Energy: 0.5006396860177922
Energy: 0.518326283964106
Energy: 0.500527676249726
Energy: 0.5044739224140037
Energy: 0.48033249498304814
Energy: 0.5011144144404701
Energy: 0.49996803232314374
Energy: 0.4801991790386445
Energy: 0.5004833318224379
Energy: 0.502868371790279
Energy: 0.4801751232299414
Energy: 0.510160620418474
Energy: 0.47882450527430204
Energy: 0.479456717539211
Energy: 0.49439248530808
Energy: 0.47872458862741835
Energy: 0.4893632227162776
Energy: 0.5675085141228329
Energy: 0.5011275674300082
Energy: 0.49035380001581036
Energy: 0.49818551195116884
Energy: 0.48865808474887124
Energy: 0.5434081652917131
Energy: 0.5007775835710115
Energy: 0.5202219525310502
Energy: 0.5433613184970616
Energy: 0.5004199824939137
Energy: 0.5201070716457841
Energy: 0.498184866626287
Energy: 0.4957626968842755
Energy: 0.4591852941534617
Energy: 0.48084877976218104
Energy: 0.4928927433608342
Energy: 0.478903969114906
Energy: 0.5000774889817032
Energy: 0.4798821674644025
Energy: 0.479151340401747
Energy: 0.4793961608595357
Energy: 0.4798233147927572
Energy: 0.47885970388037213
Energy: 0.49754002177409873
Energy: 0.4806968747420259
Energy: 0.4791311552247527
Energy: 0.48003627351485134
Energy: 0.48078472771421554
Energy: 0.48521894602512927
Energy: 0.4949554311883319
Energy: 0.4888927250566345
Energy: 0.5126237779567643
Energy: 0.5303549919922118
Energy: 0.5438090541006058
Energy: 0.5132666320985375
Energy: 0.5984465577466095
Energy: 0.4893134573267281
Energy: 0.488832832816057
Energy: 0.5117391730492158
Energy: 0.4892871383222865
Energy: 0.5061046288557792
Energy: 0.49787835492066473
Energy: 0.4783868540788671
Energy: 0.4785280124616284
Energy: 0.5010496336443362
Energy: 0.48177958720817105
Energy: 0.4787034558277239
Energy: 0.633155441326264
Energy: 0.47918123538893326
Energy: 0.47833630268952365
Energy: 0.5559055915816765
Energy: 0.4789470019259133
Energy: 0.5555046844265652
Energy: 0.5448684827346523
Energy: 0.48120512265534326
Energy: 0.4774892873209314
Energy: 0.49993986158453846
Energy: 0.5192467749475052
Energy: 0.5030997389737616
Energy: 0.5546895303635972
Energy: 0.6068983328228091
Energy: 0.6059306814269603
Energy: 0.5546342966802668
Energy: 0.6057605285490264
Energy: 0.5122155359766818
Energy: 0.509357258158702
Energy: 0.5043142629189508
Energy: 0.5077704591381362
Energy: 0.5101555847921094
Energy: 0.4917082010006318
Energy: 0.5097344484964575
Energy: 0.5001670119895368
Energy: 0.5166811134165737
Energy: 0.5054088445879125
Energy: 0.5006222154114295
Energy: 0.504590043301157
Energy: 0.499697061136944
Energy: 0.529634120611041
Energy: 0.5367807328649529
Energy: 0.5023580123813983
Energy: 0.5297442952210347
Energy: 0.5383956123824809
Energy: 0.5015757113643546
Energy: 0.4592244518942569
Energy: 0.48550784819594917
Energy: 0.48581301746320293
Energy: 0.5024328406422583
Energy: 0.49413492503818435
Energy: 0.5261921091875024
Energy: 0.7308994702839252
Energy: 0.49904968102258523
Energy: 0.4991082981116162
Energy: 0.4803961185914749
Energy: 0.4989447496270147
Energy: 0.47635072039452164
Energy: 0.5712376870414997
Energy: 0.510051843477696
Energy: 0.5096801773673816
Energy: 0.4913397466748431
Energy: 0.5103657610840411
Energy: 0.5094676883014801
Energy: 0.4809606336010733
Energy: 0.5083963821608506
Energy: 0.5082573657598483
Energy: 0.4861471262453735
Energy: 0.5086757844218465
Energy: 0.5008722057578157
Energy: 0.5336229071710129
Energy: 0.4990344947289924
Energy: 0.4982230226982997
Energy: 0.5182224113345063
Energy: 0.5000056901376908
Energy: 0.5430402217026213
Energy: 0.5328309615114544
Energy: 0.4959449711768523
Energy: 0.4964965195036217
Energy: 0.5330113146977908
Energy: 0.4963358872506411
Energy: 0.4937894250620599
Energy: 0.4791780826805202
Energy: 0.4777735288583339
Energy: 0.468249931951701
Energy: 0.479930080823951
Energy: 0.46496033381351937
Energy: 0.47877619316495046
Energy: 0.4891499134027991
Energy: 0.5128993616884268
Energy: 0.4900348187921733
Energy: 0.4891860391631087
Energy: 0.5045795017108656
Energy: 0.4894740865334399
Energy: 0.4890692470764002
Energy: 0.5497842350084932
Energy: 0.5504259735302953
Energy: 0.48900328686051914
Energy: 0.5503002029699183
Energy: 0.546887438074254
Energy: 0.5456830099131946
Energy: 0.47916893083929335
Energy: 0.47797449058221086
Energy: 0.4890579260148808
Energy: 0.5090303638996931
Energy: 0.48819461405927067
Energy: 0.49831819923662446
Energy: 0.47939458890531167
Energy: 0.4958907396547569
Energy: 0.4812560674091005
Energy: 0.47915269009641753
Energy: 0.479358667073586
Energy: 0.4972670935373089
Energy: 0.4806056351982932
Energy: 0.479735525928923
Energy: 0.4806767444086653
Energy: 0.47998162997268873
Energy: 0.4844649703821738
Energy: 0.5989969252675617
Energy: 0.4921222627982538
Energy: 0.48902850584585006
Energy: 0.5235215450875282
Energy: 0.48974637623093525
Energy: 0.5402919598108124

minimum gb energy = 0.4273985756129252 eV
minimum distance =  2.57611853677859 Angstroms
sigma value = 57


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

Energy: 0.32173100825450496
Energy: 0.39440113055548437
Energy: 0.28341620632049397
Energy: 0.27780847186246665
Energy: 0.4165153391603736
Energy: 0.3221637317413345
Energy: 0.39670372883565175
Energy: 0.3780683357867646
Energy: 0.3810120760171797
Energy: 0.3703626228111355
Energy: 0.3709521381753634
Energy: 0.373573035569447
Energy: 0.3954242191743727
Energy: 0.3753903758192714
Energy: 0.37612702952713917
Energy: 0.3877980963082925
Energy: 0.3762683578907207
Energy: 0.3754286971262211
Energy: 0.39685815253323214
Energy: 0.37959128560459465
Energy: 0.38794385331714565
Energy: 0.3890206620382341
Energy: 0.38802849083744123
Energy: 0.37956115934388934
Energy: 0.39756739311763806
Energy: 0.2766465099061751
Energy: 0.2944571528254702
Energy: 0.4130744143286435
Energy: 0.2765032494955638
Energy: 0.38961483334201485
Energy: 0.37428570580065273
Energy: 0.27652424372591566
Energy: 0.2767664473681108
Energy: 0.36260417924484134
Energy: 0.27639037702158414
Energy: 0.2914952796059816
Energy: 0.3742279072254107
Energy: 0.3700807519313182
Energy: 0.36901628019021443
Energy: 0.38447218165503394
Energy: 0.3831716692507943
Energy: 0.3871682177684333
Energy: 0.3741992145892358
Energy: 0.39836424533270254
Energy: 0.3778405215432963
Energy: 0.3736709707037687
Energy: 0.39796509093596855
Energy: 0.3774330587765155
Energy: 0.3980628571642773
Energy: 0.3854979964379537
Energy: 0.381615581193543
Energy: 0.37993968496538827
Energy: 0.38448337139725464
Energy: 0.38129980149292614
Energy: 0.2808321905169185
Energy: 0.397885099231885
Energy: 0.2921627538710656
Energy: 0.276387319777434
Energy: 0.40124448959849807
Energy: 0.27703267504619716
Energy: 0.2763744546064511
Energy: 0.3824249218848664
Energy: 0.3814418652212649
Energy: 0.27640867395717317
Energy: 0.3829453849172819
Energy: 0.2940615794898974
Energy: 0.39954040673318536
Energy: 0.3844409148235791
Energy: 0.38364116338517845
Energy: 0.3811374252413353
Energy: 0.3760044769726352
Energy: 0.38434856929752376
Energy: 0.3975432042647712
Energy: 0.398482188774437
Energy: 0.39748806372952755
Energy: 0.3970800296346428
Energy: 0.39904513759826266
Energy: 0.39873466727299517
Energy: 0.3987326067026659
Energy: 0.3745495273567457
Energy: 0.3826046761488168
Energy: 0.4078172388200714
Energy: 0.3832426651829973
Energy: 0.37356381207512196
Energy: 0.38510810062523393
Energy: 0.27657876585596725
Energy: 0.2765068439881095
Energy: 0.36681698996598844
Energy: 0.27950145540715354
Energy: 0.27724291584289024
Energy: 0.3753521377044216
Energy: 0.38208856541894465
Energy: 0.3889542895936618
Energy: 0.3873068691644701
Energy: 0.2765702811422394
Energy: 0.37091735485887245
Energy: 0.3729166265053645
Energy: 0.36581513865368537
Energy: 0.38809698989014535
Energy: 0.3849930729536003
Energy: 0.3835794272735069
Energy: 0.38636029688637247
Energy: 0.39677181028523173
Energy: 0.3976341421410139
Energy: 0.3800001403839601
Energy: 0.404963209168335
Energy: 0.3808618456911208
Energy: 0.3762183165930582
Energy: 0.3219537473924361
Energy: 0.38168674757689336
Energy: 0.3814153177287607
Energy: 0.27653517113516024
Energy: 0.40077572748470536
Energy: 0.3906237441571905

minimum gb energy = 0.2763744546064511 eV
minimum distance =  2.68357745518238 Angstroms
sigma value = 11


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

Energy: 0.7797581446137676
Energy: 0.5661123020818356
Energy: 0.5188324653821951
Energy: 0.5697298165082734
Energy: 0.5662931443342516
Energy: 0.6766445813951945
Energy: 0.4474766560376715
Energy: 0.4408804891804427
Energy: 0.45121834395521465
Energy: 0.4401841675791638
Energy: 0.448003092559227
Energy: 0.4384734501665547
Energy: 0.4465466678297486
Energy: 0.4443325272266513
Energy: 0.44547479483699914
Energy: 0.4476682968664788
Energy: 0.4524489597256521
Energy: 0.44208898399673274
Energy: 0.44643871937761415
Energy: 0.4561730831385304
Energy: 0.4680660060292495
Energy: 0.44730503387229
Energy: 0.44901824772156373
Energy: 0.44947499943114005
Energy: 0.44788268218871946
Energy: 0.4502712304253782
Energy: 0.43405392641240714
Energy: 0.44781093506994224
Energy: 0.47730149661930726
Energy: 0.45285470518475335
Energy: 0.5439995937063317
Energy: 0.5617808739958713
Energy: 0.5157273968996894
Energy: 0.543982005262325
Energy: 0.5637812389117656
Energy: 0.4454320429908363
Energy: 0.48698193059068945
Energy: 0.44387031990399906
Energy: 0.44563074466158653
Energy: 0.45088269419302823
Energy: 0.4563780031957917
Energy: 0.447985591754538
Energy: 0.46803576406080294
Energy: 0.4442981194423801
Energy: 0.44521660653631734
Energy: 0.4685768267209496
Energy: 0.44394200253489335
Energy: 0.4610384871868044
Energy: 0.5475827149613218
Energy: 0.44974277103383975
Energy: 0.45284371758020714
Energy: 0.4506122532647181
Energy: 0.45129342790508714
Energy: 0.428986415379342
Energy: 0.6855567241446102
Energy: 0.4490918385344503
Energy: 0.4470074364136608
Energy: 0.5518266572409712
Energy: 0.44944753799592907
Energy: 0.43832924937337486
Energy: 0.5831955654724822
Energy: 0.44684172666248584
Energy: 0.4469251166628975
Energy: 0.47658738046628385
Energy: 0.44905910077884587
Energy: 0.4295007523349414
Energy: 0.5620374833461085
Energy: 0.43385878802290306
Energy: 0.4479480122182958
Energy: 0.5620096297166228
Energy: 0.4295824297086522
Energy: 0.43772663010945473
Energy: 0.4710762316853402
Energy: 0.43305428707922144
Energy: 0.4614143477124869
Energy: 0.47134543427922376
Energy: 0.431208236776183
Energy: 0.4360360278735278
Energy: 0.4792341404596969
Energy: 0.42227536570920504
Energy: 0.4280716957714112
Energy: 0.4797982988183333
Energy: 0.4217366145581278
Energy: 0.44831363826449727
Energy: 0.4756544526826385
Energy: 0.5503489649800805
Energy: 0.5072854344803063
Energy: 0.47544790295653744
Energy: 0.5506611111347891
Energy: 0.4758600694172262
Energy: 0.6298842916101958
Energy: 0.4802359250894121
Energy: 0.4287112652336455
Energy: 0.5087754751267829
Energy: 0.4783369342953305
Energy: 0.42743141974548543
Energy: 0.597826128421237
Energy: 0.5727590559416734
Energy: 0.5195353308561211
Energy: 0.5373973167352385
Energy: 0.6057526486893324
Energy: 0.4851002672023755
Energy: 0.5258771865851768
Energy: 0.4701949423123496
Energy: 0.4403298106190408
Energy: 0.4701080759260717
Energy: 0.4757498922348583
Energy: 0.4201079658282153
Energy: 0.5157278195291619
Energy: 0.469577247498804
Energy: 0.4368557952957542
Energy: 0.4503096903027924
Energy: 0.47837512198217774
Energy: 0.462449265349131
Energy: 0.5317236632486899
Energy: 0.5552544958893859
Energy: 0.5153660207650648
Energy: 0.5021793316366552
Energy: 0.5178756118144245
Energy: 0.5148596789975122
Energy: 0.6299082723036242
Energy: 0.4769550968927766
Energy: 0.4287160898984038
Energy: 0.4494470736737778
Energy: 0.4824522837436016
Energy: 0.42992700005373524
Energy: 0.4488320981210031
Energy: 0.5563630059908163
Energy: 0.5191386858916619
Energy: 0.44866055074403716
Energy: 0.556378007525277
Energy: 0.5031415591556051
Energy: 0.4559093979001284
Energy: 0.4342906147670393
Energy: 0.42838533914861554
Energy: 0.4561160038906642
Energy: 0.43466784709723066
Energy: 0.4470915215983592
Energy: 0.4481065809341286
Energy: 0.4444143660482281
Energy: 0.4437911794981326
Energy: 0.4484615647123588
Energy: 0.44364165306374026
Energy: 0.4447627142166387
Energy: 0.46537296788925453
Energy: 0.4435097764225934
Energy: 0.4424240763562683
Energy: 0.45019506483514077
Energy: 0.4482240270217312
Energy: 0.46386601284172063
Energy: 0.6203926040169401
Energy: 0.45574828100790743
Energy: 0.45123014862166594
Energy: 0.4840498790075964
Energy: 0.44781720274820536
Energy: 0.4288154509034117

minimum gb energy = 0.4201079658282153 eV
minimum distance =  2.59802656324734 Angstroms
sigma value = 41


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

Energy: 0.724386591606546
Energy: 0.5560340528206686
Energy: 0.5392895107906102
Energy: 0.536945193404698
Energy: 0.5704976779496347
Energy: 0.5518018239824912
Energy: 0.4797777117570057
Energy: 0.46974823520166115
Energy: 0.45751119883702523
Energy: 0.46712150498591143
Energy: 0.48034244377334206
Energy: 0.45525091658141736
Energy: 0.48154700335127926
Energy: 0.4699727118907098
Energy: 0.47115948204729113
Energy: 0.48261236657700674
Energy: 0.46971783531242806
Energy: 0.45479918495737054
Energy: 0.4805452553285216
Energy: 0.4629831481939791
Energy: 0.44538913950019543
Energy: 0.4812527912686976
Energy: 0.4702957639829873
Energy: 0.453614571195238
Energy: 0.4816614663276235
Energy: 0.46225242717823567
Energy: 0.4493360814533086
Energy: 0.4819709898910749
Energy: 0.473075404349561
Energy: 0.4473986089580661
Energy: 0.5462784519740165
Energy: 0.5002436332905831
Energy: 0.501442086782829
Energy: 0.4920093650934421
Energy: 0.6178977355506168
Energy: 0.5012639641284649
Energy: 0.542900895500693
Energy: 0.45595941940673873
Energy: 0.4572330735275857
Energy: 0.4802192460927834
Energy: 0.48036524203929826
Energy: 0.4561186665655788
Energy: 0.5110301519060121
Energy: 0.4875708514002587
Energy: 0.4712629995475891
Energy: 0.5115373101873294
Energy: 0.48769797762436506
Energy: 0.4412947823196396
Energy: 0.5437954611762726
Energy: 0.4746918439125872
Energy: 0.45680174651668926
Energy: 0.47185993108011165
Energy: 0.4745945446906012
Energy: 0.4465874596278208
Energy: 0.6116235340250683
Energy: 0.475174952219722
Energy: 0.4808612921829808
Energy: 0.5364977191850683
Energy: 0.4751896216574412
Energy: 0.450239889329882
Energy: 0.543946712685505
Energy: 0.48033862085354473
Energy: 0.449901752421436
Energy: 0.479589935345072
Energy: 0.49085885214849995
Energy: 0.4463996592663831
Energy: 0.6366210389354772
Energy: 0.43875083979572466
Energy: 0.429202425457553
Energy: 0.5194014970931132
Energy: 0.4487335227500308
Energy: 0.4476506702494771
Energy: 0.4754196717839511
Energy: 0.43885867346183743
Energy: 0.48602107561189073
Energy: 0.47530882062736296
Energy: 0.44811600971301785
Energy: 0.49596183328807736
Energy: 0.47390548397268634
Energy: 0.46238422900560516
Energy: 0.4463711337441252
Energy: 0.4746909591166797
Energy: 0.46190125063926896
Energy: 0.44661555832893757
Energy: 0.4859724188637518
Energy: 0.488058562482143
Energy: 0.4709867876369244
Energy: 0.48647559435326254
Energy: 0.48775795722121446
Energy: 0.4860459435893471
Energy: 0.4799727199277793
Energy: 0.47029610476854444
Energy: 0.46299619159409977
Energy: 0.48411794588394114
Energy: 0.4805226963723122
Energy: 0.4571138893188941
Energy: 0.7118564980319912
Energy: 0.615314017018067
Energy: 0.451035966652183
Energy: 0.5298988804870622
Energy: 0.5733750584702939
Energy: 0.5407131763614784
Energy: 0.6038588238247053
Energy: 0.4854945612469276
Energy: 0.4478438317348945
Energy: 0.4970793140691652
Energy: 0.4813769645454479
Energy: 0.42919672957689897
Energy: 0.48154918908872874
Energy: 0.4690060590213366
Energy: 0.4706348355591827
Energy: 0.4700249848700454
Energy: 0.4689619056221505
Energy: 0.4536868886944993
Energy: 0.4825856225218271
Energy: 0.4642198222860922
Energy: 0.45376810201110235
Energy: 0.4807304305071976
Energy: 0.4689956422919083
Energy: 0.4711837660251956
Energy: 0.4814993198742273
Energy: 0.45617980763334487
Energy: 0.45660603247484816
Energy: 0.4815481887160151
Energy: 0.47519353090097743
Energy: 0.44712617406304256
Energy: 0.6039922953207273
Energy: 0.6175807571735734
Energy: 0.5003188465902406
Energy: 0.5615130060575847
Energy: 0.6174955691872048
Energy: 0.5011695702946737
Energy: 0.545087998063517
Energy: 0.4571520698550544
Energy: 0.4567644278458532
Energy: 0.4813190918134947
Energy: 0.47752537776347337
Energy: 0.4553143546531151
Energy: 0.5188860886493172
Energy: 0.5010723678862327
Energy: 0.4919877551975051
Energy: 0.5112911929998314
Energy: 0.5016582440137322
Energy: 0.4412454518661953
Energy: 0.5432351369350471
Energy: 0.47484715098459407
Energy: 0.4555232970129622
Energy: 0.46985956093590087
Energy: 0.47418317009806593
Energy: 0.445320968995968
Energy: 0.5443521467616124
Energy: 0.47970664124900886
Energy: 0.46763538301206087
Energy: 0.4799306969457364
Energy: 0.4749936386056587
Energy: 0.450772431945879
Energy: 0.6141099685858937
Energy: 0.475005162082552
Energy: 0.46587811401911716
Energy: 0.5364882957620788
Energy: 0.6355863851678456
Energy: 0.445735858381743
Energy: 0.6123838541417842
Energy: 0.43853343433511366
Energy: 0.46225729946556454
Energy: 0.49069499738927264
Energy: 0.44556957271387915
Energy: 0.45027250777112554
Energy: 0.4748491338539792
Energy: 0.5314350556168567
Energy: 0.5217770964706642
Energy: 0.4871825803961408
Energy: 0.531477804864393
Energy: 0.5215080325299594
Energy: 0.47542143178540897
Energy: 0.4504242245798215
Energy: 0.4499834452943506
Energy: 0.47396528709844
Energy: 0.4659313927828629
Energy: 0.4502238352285123
Energy: 0.4777821693183746
Energy: 0.4816558050942505
Energy: 0.473681397885158
Energy: 0.4778652917604874
Energy: 0.481414081711271
Energy: 0.47892377690548815
Energy: 0.48015393444602733
Energy: 0.47026101092279765
Energy: 0.4463533156791744
Energy: 0.48016638143907886
Energy: 0.4805729860517846
Energy: 0.4562426697965012
Energy: 0.7126628921466219
Energy: 0.4855662065148202
Energy: 0.42924871714116414
Energy: 0.4471402274865319
Energy: 0.48181115090953414
Energy: 0.43055669678585734

minimum gb energy = 0.42919672957689897 eV
minimum distance =  2.60542883246015 Angstroms
sigma value = 33


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

Energy: 0.5875607435059255
Energy: 0.6561835815495624
Energy: 0.5134724421692376
Energy: 0.5885895723383265
Energy: 0.584569172307646
Energy: 0.5141295166833055
Energy: 0.5145504656238004
Energy: 0.46981288140878996
Energy: 0.4727908570490394
Energy: 0.4668606424906897
Energy: 0.5137727110455602
Energy: 0.4725347096695157
Energy: 0.5135434301439494
Energy: 0.4720883904813476
Energy: 0.4703525448953434
Energy: 0.5145804226188695
Energy: 0.47053106996595156
Energy: 0.47044973016587005
Energy: 0.5117915889916984
Energy: 0.47067011243741486
Energy: 0.46984994457729556
Energy: 0.512524595931963
Energy: 0.4729458087468927
Energy: 0.4701618137838984
Energy: 0.5121700539742902
Energy: 0.4695836426784317
Energy: 0.46348300059408803
Energy: 0.512130302103946
Energy: 0.48641441114641143
Energy: 0.463864310828592
Energy: 0.5641447875878874
Energy: 0.4653308444743781
Energy: 0.46573287864801255
Energy: 0.5643771205778589
Energy: 0.6035946156674408
Energy: 0.46959658944403976
Energy: 0.6022289260592504
Energy: 0.4803350771705095
Energy: 0.4934804971370581
Energy: 0.5122350352634427
Energy: 0.4671108381832429
Energy: 0.4700781074230952
Energy: 0.5888216431812442
Energy: 0.4632137223202581
Energy: 0.4691891881007551
Energy: 0.5904427130027127
Energy: 0.4633545112693218
Energy: 0.45871647369968993
Energy: 0.5645509127059248
Energy: 0.46512719249961937
Energy: 0.4634219333696307
Energy: 0.4701296499635569
Energy: 0.4628422496990207
Energy: 0.46296710479268544
Energy: 0.704335018779192
Energy: 0.4631609568105628
Energy: 0.4629677150052956
Energy: 0.472284520856207
Energy: 0.46319385166879945
Energy: 0.4631172263169978
Energy: 0.6028776126885685
Energy: 0.4670954220242537
Energy: 0.4708132134637966
Energy: 0.5119074833935294
Energy: 0.4696733808429802
Energy: 0.46939888391106066
Energy: 0.5948217519488531
Energy: 0.4621017707515807
Energy: 0.457746419517378
Energy: 0.5939339603998063
Energy: 0.4593880581460566
Energy: 0.4591799430680543
Energy: 0.5120786043942109
Energy: 0.46295242941159914
Energy: 0.458942746887787
Energy: 0.5117837504941047
Energy: 0.46017035431608355
Energy: 0.45783352090280155
Energy: 0.5106898300770412
Energy: 0.48304033546800496
Energy: 0.4701403596456365
Energy: 0.5114039595788445
Energy: 0.4704435817531844
Energy: 0.46973264834598416
Energy: 0.47764182442949155
Energy: 0.47719847703520496
Energy: 0.47116994709638016
Energy: 0.4715803697287668
Energy: 0.5289251380386465
Energy: 0.489854439356642
Energy: 0.5141343620904559
Energy: 0.4720315419340072
Energy: 0.4711368555384093
Energy: 0.47034452950394956
Energy: 0.5132811517532779
Energy: 0.47065758014635956
Energy: 0.7043152525883795
Energy: 0.5122507157837992
Energy: 0.5361322546540371
Energy: 0.6021561846381068
Energy: 0.5124685357323792
Energy: 0.5362820159245616
Energy: 0.6015105103444123
Energy: 0.5131359988465629
Energy: 0.4637817715875091
Energy: 0.5116885904119587
Energy: 0.5123518946397296
Energy: 0.4630825120510222
Energy: 0.5115511864173722
Energy: 0.46017822760034865
Energy: 0.459248379988878
Energy: 0.470039510399985
Energy: 0.5261264205127674
Energy: 0.469229913935543
Energy: 0.4625552203438558
Energy: 0.45914595841374084
Energy: 0.4582060883989197
Energy: 0.46258230232234077
Energy: 0.45738030296631166
Energy: 0.47024911326713176
Energy: 0.46342041866047234
Energy: 0.47067972180833345
Energy: 0.4626470197873474
Energy: 0.46392029509485444
Energy: 0.47199931436305326
Energy: 0.46298006646008116
Energy: 0.538681117619074
Energy: 0.537627558310121
Energy: 0.5378560269896656
Energy: 0.5391462928954113
Energy: 0.5372699399237527
Energy: 0.5367802653772458
Energy: 0.5529130220912694
Energy: 0.47226289698607876
Energy: 0.47133670987900156
Energy: 0.46577583958410307
Energy: 0.5141811463896013
Energy: 0.46371975662505255
Energy: 0.5879241224707439
Energy: 0.5554355160771413
Energy: 0.5448474160326837
Energy: 0.612687532637232
Energy: 0.6026793334356891
Energy: 0.5442355141450859
Energy: 0.6364777494526923
Energy: 0.46927378454402663
Energy: 0.4736441716920658
Energy: 0.4602863118765417
Energy: 0.5125881149879432
Energy: 0.4706079743924575
Energy: 0.5120167307931612
Energy: 0.4722190321931431
Energy: 0.47000691316871657
Energy: 0.4734066397365748
Energy: 0.47043529400571116
Energy: 0.4694186799557782
Energy: 0.5132109997883204
Energy: 0.47053637893087946
Energy: 0.46927716410450043
Energy: 0.5139417152950672
Energy: 0.4733290420312588
Energy: 0.469868263124843
Energy: 0.5135442540273639
Energy: 0.4641340009656286
Energy: 0.46368418456956917
Energy: 0.5135253572086484
Energy: 0.4725972968157578
Energy: 0.4735694027751321
Energy: 0.5965721045342445
Energy: 0.5387388799207039
Energy: 0.46646075189737846
Energy: 0.5964036032962124
Energy: 0.605174717796003
Energy: 0.46800711517564314
Energy: 0.6001399901160805
Energy: 0.46366520564717384
Energy: 0.46394488662068023
Energy: 0.5133204259704195
Energy: 0.4769473271938274
Energy: 0.4712010961611186
Energy: 0.5887950500859991
Energy: 0.5427110677374818
Energy: 0.4637697766234058
Energy: 0.5901634402984148
Energy: 0.48549534611864814
Energy: 0.4628787914233001
Energy: 0.5657690591953972
Energy: 0.4661209234332725
Energy: 0.46349473464293495
Energy: 0.4700484779510128
Energy: 0.464043532421143
Energy: 0.46328184160027724
Energy: 0.6063300762461156
Energy: 0.46233415035688386
Energy: 0.4624024916536389
Energy: 0.4699438042245534
Energy: 0.46235956832455616
Energy: 0.4707655782047656
Energy: 0.6058545495382315
Energy: 0.4683822172382607
Energy: 0.47114529211672357
Energy: 0.5131287588044687
Energy: 0.5381647041760256
Energy: 0.46927978144273064
Energy: 0.5663380007737941
Energy: 0.4626736462043451
Energy: 0.45811652450235196
Energy: 0.5253143113558727
Energy: 0.4598573032222848
Energy: 0.4634965323195907
Energy: 0.5127585347147758
Energy: 0.4573098379772458
Energy: 0.4571780933240626
Energy: 0.5127293385848185
Energy: 0.6131638347422698
Energy: 0.45740716361009537
Energy: 0.5114734559265192
Energy: 0.47255279620031915
Energy: 0.4708502017794083
Energy: 0.5121526380137031
Energy: 0.4703403771095152
Energy: 0.47092764037567486
Energy: 0.46466761169996557
Energy: 0.4708026414614976
Energy: 0.47577629640461666
Energy: 0.465196336699406
Energy: 0.5197411107617458
Energy: 0.4753954538693661
Energy: 0.512243233275659
Energy: 0.47273787815773116
Energy: 0.4700925592866704
Energy: 0.4701024573718596
Energy: 0.5124494068415573
Energy: 0.4694789466132606
Energy: 0.7011880555307243
Energy: 0.5117949830291777
Energy: 0.526667558882261
Energy: 0.6043917894268528
Energy: 0.5118768226296491
Energy: 0.46291148772327884
Energy: 0.6034235264646123
Energy: 0.5275402973360236
Energy: 0.46623441351235856
Energy: 0.5124938821687229
Energy: 0.5121029990126996
Energy: 0.46248275434264213
Energy: 0.51116012032296
Energy: 0.45925076058242603
Energy: 0.4592204283585448
Energy: 0.4681182166807244
Energy: 0.5248975385973641
Energy: 0.4691647988250153
Energy: 0.4636119117736898
Energy: 0.45974710592888607
Energy: 0.4580845771272289
Energy: 0.4627557421823534
Energy: 0.4572343242282621
Energy: 0.46891186995998674
Energy: 0.46182596460100084
Energy: 0.4631535389689255
Energy: 0.46313044539170195
Energy: 0.4624602232850171
Energy: 0.4714571879800756
Energy: 0.4633493861133493
Energy: 0.48278673777704895
Energy: 0.5369446367461013
Energy: 0.4812536898954522
Energy: 0.48283372184883827
Energy: 0.5402870416777424
Energy: 0.4831230899871486
Energy: 0.5134478633518341
Energy: 0.4729085950900961
Energy: 0.4703420665629631
Energy: 0.46643372068350886
Energy: 0.5130121322080045
Energy: 0.4719253350540758
Energy: 0.8392456921862597
Energy: 0.5878117877100317
Energy: 0.45781251905976994
Energy: 0.4575827305835279
Energy: 0.5940021244764077
Energy: 0.4573734213688864

minimum gb energy = 0.4571780933240626 eV
minimum distance =  2.65215722963215 Angstroms
sigma value = 67


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

Energy: 0.650663132342362
Energy: 0.7035248213604925
Energy: 0.42442941689796043
Energy: 0.6527102253018325
Energy: 0.7011990415301307
Energy: 0.4211653925403288
Energy: 0.5490161384403874
Energy: 0.40272272025773526
Energy: 0.4014995212750961
Energy: 0.40055309832196423
Energy: 0.40115959384070704
Energy: 0.4013586978563337
Energy: 0.5303931813898258
Energy: 0.38502209362121337
Energy: 0.4010579264640027
Energy: 0.5294433450546341
Energy: 0.3850232301165851
Energy: 0.40085300227243914
Energy: 0.5016421736883656
Energy: 0.4011458991172389
Energy: 0.4010172999251332
Energy: 0.5019962889178095
Energy: 0.4009881881890365
Energy: 0.40088474490562137
Energy: 0.5017941583578965
Energy: 0.4009440485665281
Energy: 0.40107924897293257
Energy: 0.5017491980750486
Energy: 0.4010044901366004
Energy: 0.40100181741123153
Energy: 0.501880429678217
Energy: 0.39969700514197704
Energy: 0.4010295659446636
Energy: 0.5018369244189947
Energy: 0.5289671475742621
Energy: 0.502069654330435
Energy: 0.6645255078503169
Energy: 0.403346796079713
Energy: 0.40219148354110507
Energy: 0.5146258187980992
Energy: 0.40112117310241924
Energy: 0.4022012308363833

minimum gb energy = 0.38502209362121337 eV
minimum distance =  2.7297994967225 Angstroms
sigma value = 3


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

Energy: 0.7794273452474899
Energy: 0.7351520551795655
Energy: 0.5589718246129924
Energy: 0.48610994256204415
Energy: 0.8660093334739067
Energy: 0.5581148710655812
Energy: 0.4662865935108855
Energy: 0.5457758894119717
Energy: 0.46716454823936626
Energy: 0.5301963079176024
Energy: 0.5078217822641568
Energy: 0.4688978719756794
Energy: 0.5968765688583016
Energy: 0.46154037455764374
Energy: 0.46206394269198964
Energy: 0.5973114001987346
Energy: 0.4616745300020665
Energy: 0.4660626087152318
Energy: 0.4698281921631657
Energy: 0.4662509712467134
Energy: 0.46612243071277704
Energy: 0.47019384496131034
Energy: 0.46182337661538914
Energy: 0.46593288846419034
Energy: 0.47263269999082985
Energy: 0.469992037644144
Energy: 0.4675652866224456
Energy: 0.4730996542435282
Energy: 0.47426397365518963
Energy: 0.46628278875426615
Energy: 0.4675537742360442
Energy: 0.504054540211975
Energy: 0.46788067989100235
Energy: 0.4677210695545016
Energy: 0.4750361382784114
Energy: 0.46774965491373044
Energy: 0.46632742731130955
Energy: 0.5065445796832655
Energy: 0.5097695502716664
Energy: 0.4667984084938011
Energy: 0.5511417104739961
Energy: 0.5050576274233575
Energy: 0.7341121662241881
Energy: 0.5357106981434185
Energy: 0.5245626337767654
Energy: 0.4659498267245518
Energy: 0.5354178618374776
Energy: 0.5384851796833505
Energy: 0.4676557374641251
Energy: 0.5080237319158739
Energy: 0.5035102721870082
Energy: 0.46791275156749096
Energy: 0.47017478408253743
Energy: 0.47325788327749896
Energy: 0.6288301141106384
Energy: 0.46859224318558423
Energy: 0.4687746668462844
Energy: 0.6295866380697274
Energy: 0.46888711096063823
Energy: 0.5405564110044841
Energy: 0.5465959408877888
Energy: 0.46213114603078415
Energy: 0.46167314925535624
Energy: 0.5544141040574498
Energy: 0.556206891515822
Energy: 0.5125762495818439
Energy: 0.5539930735859362
Energy: 0.5671694726295646
Energy: 0.46740683076100303
Energy: 0.5061378632538585
Energy: 0.4656889400590557
Energy: 0.4676694385599782
Energy: 0.5917174892994325
Energy: 0.4663282844827582
Energy: 0.4658401332090162
Energy: 0.4663158529848005
Energy: 0.46620019297153803
Energy: 0.4661847850600582
Energy: 0.5493293634093864
Energy: 0.46887818995983305
Energy: 0.46613235298017236
Energy: 0.5049670057502785
Energy: 0.46873484416716704
Energy: 0.4661878642120579
Energy: 0.641593150577606
Energy: 0.46595713845115433
Energy: 0.4664862375790755
Energy: 0.4738686029193456
Energy: 0.46587175113837
Energy: 0.5350038177675636
Energy: 0.5494795228089203
Energy: 0.4698956603224262
Energy: 0.4665237999349839
Energy: 0.5061210599692251
Energy: 0.5294296723100747
Energy: 0.4665782847848654
Energy: 0.6711867527048654
Energy: 0.5053851128588736
Energy: 0.5055237627272136
Energy: 0.6712684410654735
Energy: 0.5056386926207113
Energy: 0.6448046063421794
Energy: 0.508665572085719
Energy: 0.4732915245473488
Energy: 0.4671828493047217
Energy: 0.5086957487835211
Energy: 0.5060104550637328
Energy: 0.5177236924323405
Energy: 0.540109001095792
Energy: 0.5844105888377855
Energy: 0.4662401837772335
Energy: 0.46848763297107465
Energy: 0.6009165641458222
Energy: 0.46855664720953044
Energy: 0.6850489499828719
Energy: 0.46623494819870775
Energy: 0.46643441050590984
Energy: 0.4687997693699458
Energy: 0.510703780679261
Energy: 0.4688745257759363
Energy: 0.5155815105211693
Energy: 0.4682523018724454
Energy: 0.5084901445662321
Energy: 0.46812044416069404
Energy: 0.4675613717059272
Energy: 0.4831667363042058
Energy: 0.5051663493319097
Energy: 0.5385447377816991
Energy: 0.5456093679696871
Energy: 0.46796486347617733
Energy: 0.46928004878875523
Energy: 0.506714886836583
Energy: 0.5090136237950457
Energy: 0.5540268647133516
Energy: 0.4675353242729417
Energy: 0.5098597866573675
Energy: 0.5076984287145981
Energy: 0.46867977379488934
Energy: 0.5060692277001936
Energy: 0.4659818283537431
Energy: 0.5016416885116456
Energy: 0.5061461085177973
Energy: 0.4658564278448608
Energy: 0.5061463209426976
Energy: 0.47052046502055334
Energy: 0.4663322506472762
Energy: 0.46674878329809727
Energy: 0.47126709146706064
Energy: 0.507270201206124
Energy: 0.4663493308356659
Energy: 0.7838085229689409
Energy: 0.6120065114745582
Energy: 0.6067360468795172
Energy: 0.46178459291042445
Energy: 0.65662248576132
Energy: 0.46113638081274777
Energy: 0.4703366547941573
Energy: 0.5789641581524414
Energy: 0.5525339871562049
Energy: 0.4614313206268857
Energy: 0.5371889791597367
Energy: 0.4612211035732524
Energy: 0.4713322276983614
Energy: 0.4669716094060519
Energy: 0.4663383320125945
Energy: 0.47120820488274356
Energy: 0.5105105887538126
Energy: 0.46629767959004265
Energy: 0.46617899043960437
Energy: 0.46191618347545155
Energy: 0.4618593281986776
Energy: 0.4661302123444311
Energy: 0.46218826353810777
Energy: 0.46635474743621436
Energy: 0.46673046735496243
Energy: 0.4685312585818401
Energy: 0.4664629698569591
Energy: 0.46755626403711237
Energy: 0.5121419317492185
Energy: 0.4658856426980068
Energy: 0.4657326274408374
Energy: 0.5299254237304134
Energy: 0.4673318793308541
Energy: 0.4658889247872234
Energy: 0.504917877983246
Energy: 0.4662067408827909
Energy: 0.470728044084299
Energy: 0.4734390471225735
Energy: 0.4726758150816162
Energy: 0.4715067689352394
Energy: 0.5072562346456044
Energy: 0.5102110024188301
Energy: 0.7352506827945481
Energy: 0.5359534093358204
Energy: 0.5359546738369195
Energy: 0.466094799414451
Energy: 0.5776820971301106
Energy: 0.505781261768745
Energy: 0.5058773866453006
Energy: 0.546413038006167
Energy: 0.5117493405409993
Energy: 0.5054740231827722
Energy: 0.533280109726573
Energy: 0.5112498239436356
Energy: 0.4656288565130179
Energy: 0.46189582662065104
Energy: 0.46199195973102947
Energy: 0.4655160202142614
Energy: 0.5564641866153358
Energy: 0.5125617376041562
Energy: 0.586829711302638
Energy: 0.4686342249457719
Energy: 0.4688004138947005
Energy: 0.5509555105249724
Energy: 0.46892701866657444
Energy: 0.5403661112587422
Energy: 0.5489255759318756
Energy: 0.5082851797090079
Energy: 0.503885477600868
Energy: 0.5499329183957734
Energy: 0.4706997814951922
Energy: 0.472706596201815
Energy: 0.5426067524973914
Energy: 0.4661261235101596
Energy: 0.4661425011706942
Energy: 0.46660516852369016
Energy: 0.4659548743599801
Energy: 0.4672749208918593
Energy: 0.551043423450256
Energy: 0.46920235398282273
Energy: 0.46591346079918816
Energy: 0.5061036407577351
Energy: 0.46938540187976674
Energy: 0.4658050692141568
Energy: 0.6400470523267144
Energy: 0.4661446734209622
Energy: 0.46639382987570777
Energy: 0.47449460418528994
Energy: 0.4661854368004742
Energy: 0.46645338896317007
Energy: 0.5504329025633199
Energy: 0.5767195015645181
Energy: 0.4662647537795179
Energy: 0.5050079838363627
Energy: 0.5463318080953388
Energy: 0.4665399578280269
Energy: 0.5490916321732878
Energy: 0.4736811057357821
Energy: 0.5026838193014054
Energy: 0.5490173475469046
Energy: 0.4666237392893639
Energy: 0.5208211099032787
Energy: 0.5402958367357376
Energy: 0.5051737552830797
Energy: 0.5056172019202683
Energy: 0.5405362887469044
Energy: 0.5052342829255642
Energy: 0.5093872052978676
Energy: 0.5100165594124206
Energy: 0.46974036868453695
Energy: 0.46662080385493226
Energy: 0.46706241377158203
Energy: 0.47037822839210286
Energy: 0.466674587868072
Energy: 0.6881994698950148
Energy: 0.5047871347513309
Energy: 0.5039737181320841
Energy: 0.4841070906148009
Energy: 0.5046509057493908
Energy: 0.5040806450082643
Energy: 0.5099252209015023
Energy: 0.46938677775191956
Energy: 0.466639817703295
Energy: 0.4669642128340934
Energy: 0.5107906768307211
Energy: 0.4667731418249573
Energy: 0.5088705298087846
Energy: 0.5069477204600503
Energy: 0.48082209373257134
Energy: 0.4682500387252543
Energy: 0.4671327490131974
Energy: 0.47994014351033026
Energy: 0.5144821918839835
Energy: 0.5550473597025282
Energy: 0.4821836679151219
Energy: 0.4674616288573473
Energy: 0.4689170351989273
Energy: 0.46720251220238646
Energy: 0.508609551199898
Energy: 0.4661047071600152
Energy: 0.466239430172796
Energy: 0.5088815636227699
Energy: 0.46633151268882933
Energy: 0.46676289096078377
Energy: 0.5944549646553805
Energy: 0.46648903419771337
Energy: 0.46608038027816484
Energy: 0.5953233346721267
Energy: 0.46655953182876975
Energy: 0.46637569768514936
Energy: 0.46178735506007046
Energy: 0.5464820117596934
Energy: 0.5185409158773387
Energy: 0.5116384645773098
Energy: 0.46800726055740943
Energy: 0.4673699805699305

minimum gb energy = 0.46113638081274777 eV
minimum distance =  2.68417777770828 Angstroms
sigma value = 81


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

Energy: 0.8501492019326409
Energy: 0.5372895853147706
Energy: 0.5111542937043929
Energy: 0.4993985478173496
Energy: 0.5361674515834853
Energy: 0.5203464837323832
Energy: 0.5235870791948386
Energy: 0.5066957646832103
Energy: 0.5140235141281446
Energy: 0.5145323871059984
Energy: 0.5336882308363707
Energy: 0.5430347840450467
Energy: 0.5225749857618335
Energy: 0.5186931164277856
Energy: 0.49688329021209404
Energy: 0.49027056050078427
Energy: 0.4911651174354783
Energy: 0.5588459627474615
Energy: 0.5192983757651521
Energy: 0.5194386569878771
Energy: 0.5190277828367171
Energy: 0.5181157049820034
Energy: 0.48978942887507404
Energy: 0.48920162886549906
Energy: 0.5193761900258574
Energy: 0.5357807045539805
Energy: 0.5332317604659867
Energy: 0.518274772749642
Energy: 0.5370214808127761
Energy: 0.5365355108669315
Energy: 0.6266179818800617
Energy: 0.5304013486382225
Energy: 0.5309412089172064
Energy: 0.619429404677784
Energy: 0.5302826933047985
Energy: 0.5311715941271519
Energy: 0.5424103747779186
Energy: 0.5256942976468045
Energy: 0.5213988430757549
Energy: 0.519667360307259
Energy: 0.5275003004131088
Energy: 0.5301114741615746
Energy: 0.7136843110948514
Energy: 0.5476391615593276
Energy: 0.5605768649293985
Energy: 0.5045912472833155
Energy: 0.568856136915002
Energy: 0.5042892259467492
Energy: 0.5407945792419383
Energy: 0.5224702451127439
Energy: 0.519047900751398
Energy: 0.5245667712389454
Energy: 0.5394097084751058
Energy: 0.5039507463020859
Energy: 0.5626640812819979
Energy: 0.48270710564895747
Energy: 0.48275272993718216
Energy: 0.5469008585550165
Energy: 0.48279173007809123
Energy: 0.4829276149161812
Energy: 0.5426161842258399
Energy: 0.48255555813765055
Energy: 0.4825158692279399
Energy: 0.5427568207042679
Energy: 0.5204197422159015
Energy: 0.518795579776367
Energy: 0.5207872527250246
Energy: 0.5136636057646858
Energy: 0.5122162905478138
Energy: 0.4902980234055744
Energy: 0.50994758866638
Energy: 0.5115545353421902
Energy: 0.5212558629491387
Energy: 0.49521401581712776
Energy: 0.4954687513189756
Energy: 0.4906150815198205
Energy: 0.5096507993361613
Energy: 0.49864009762245326
Energy: 0.553904819012717
Energy: 0.49680609359254
Energy: 0.5293363237886477
Energy: 0.5454377593787806
Energy: 0.5116706013385768
Energy: 0.5280142870772799
Energy: 0.7024930465811241
Energy: 0.5658511265090331
Energy: 0.5565844351273499
Energy: 0.5220120553308109
Energy: 0.5281130061358446
Energy: 0.5206243394003046
Energy: 0.5360680547679437
Energy: 0.5226334547337139
Energy: 0.5214552383250554
Energy: 0.5224561314460202
Energy: 0.6294654322585932
Energy: 0.5207704373280343
Energy: 0.534335019562312
Energy: 0.5138151665559066
Energy: 0.5046684349969457
Energy: 0.5344030433160369
Energy: 0.5254117201056667
Energy: 0.5050857262368631
Energy: 0.4890757048207924
Energy: 0.5085664029657064
Energy: 0.5090816779960431
Energy: 0.4892215349075226
Energy: 0.525746598826889
Energy: 0.5103970549725326
Energy: 0.4614495963254282
Energy: 0.6304371570859184
Energy: 0.4606130867219786
Energy: 0.4609785544937535
Energy: 0.6346527347332875
Energy: 0.4606603281012789
Energy: 0.4615084390989174
Energy: 0.5422531273369768
Energy: 0.46063622265634757
Energy: 0.4608415807912228
Energy: 0.5425811997510814
Energy: 0.46062122033261005
Energy: 0.4887642562412337
Energy: 0.5084557429696825
Energy: 0.5087429005644983
Energy: 0.48906875361347557
Energy: 0.5298785324913413
Energy: 0.5115228594406271
Energy: 0.5315287031903643
Energy: 0.5185888638964979
Energy: 0.5382157130712135
Energy: 0.5316474526873723
Energy: 0.5183081172978513
Energy: 0.5370777947335089
Energy: 0.5333300416596862
Energy: 0.5228430578496683
Energy: 0.5242334065069958
Energy: 0.5196966462469098
Energy: 0.5249274426416959
Energy: 0.5243891234041843
Energy: 0.532492475519292
Energy: 0.542153724234024
Energy: 0.5418536009524879
Energy: 0.5234627201026621
Energy: 0.5428845960888514
Energy: 0.5231973599332764
Energy: 0.6429700965424648
Energy: 0.5099788843157498
Energy: 0.5313798866400968
Energy: 0.6345205533721732
Energy: 0.4977143081050844
Energy: 0.5314763642664552
Energy: 0.6945171178222944
Energy: 0.497974433043985
Energy: 0.5101879500157577
Energy: 0.5067678811095185
Energy: 0.49739138871359645
Energy: 0.5102511929936268
Energy: 0.5271976829798447
Energy: 0.5248695360237067
Energy: 0.5121223826596196
Energy: 0.5063451660913161
Energy: 0.5102338285403857
Energy: 0.5117917561860963
Energy: 0.631094842783122
Energy: 0.4824130495779213
Energy: 0.5035080564769764
Energy: 0.6312944878631658
Energy: 0.49216385922801975
Energy: 0.5184460817677311
Energy: 0.544502750799391
Energy: 0.4827861826625062
Energy: 0.4828865007280495
Energy: 0.5235831339345732
Energy: 0.4827832515138378
Energy: 0.5298690240168363
Energy: 0.5416909698518061
Energy: 0.523002714599759
Energy: 0.5193716233690142
Energy: 0.5250397527160814
Energy: 0.5307452304947461
Energy: 0.5037973599316244
Energy: 0.5221160608423953
Energy: 0.5571907584270731
Energy: 0.5468922317384687
Energy: 0.4896790388939024
Energy: 0.5578578956394812
Energy: 0.5101784416954606
Energy: 0.5402028767245051
Energy: 0.5231816981352854
Energy: 0.5052470291393806
Energy: 0.5174085664391772
Energy: 0.5053746679145549
Energy: 0.5056745187146928
Energy: 0.7039037359775407
Energy: 0.5363122410420886
Energy: 0.5353341437218787
Energy: 0.539957462812743
Energy: 0.5317818687900523
Energy: 0.535799608711965
Energy: 0.5226176266714265
Energy: 0.6288185436368865
Energy: 0.5386122014779905
Energy: 0.5216764050547662
Energy: 0.6193248329892014
Energy: 0.5397927441194275
Energy: 0.5212618720309592
Energy: 0.5142183492140227
Energy: 0.5326053897990092
Energy: 0.5204043901745665
Energy: 0.5128848304547377
Energy: 0.5042383275324944
Energy: 0.5591526544746172
Energy: 0.513423280297635
Energy: 0.5122905297039877
Energy: 0.707095258385335
Energy: 0.5062276559953647
Energy: 0.5597111881800562
Energy: 0.5244368733955571
Energy: 0.5067984908234918
Energy: 0.5178068335171542
Energy: 0.5049393108314858
Energy: 0.5959817383824974
Energy: 0.5398315944339056
Energy: 0.8506084558618038
Energy: 0.5624232456001443
Energy: 0.4994183905215833
Energy: 0.5034454041034764
Energy: 0.5613045658405345
Energy: 0.5205449984755626

minimum gb energy = 0.4606130867219786 eV
minimum distance =  2.65496189292047 Angstroms
sigma value = 43


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

Energy: 0.808653247069354
Energy: 0.6557678792949216
Energy: 0.5979669691991089
Energy: 0.5203497714727193
Energy: 0.6293766330715563
Energy: 0.5203435282302938
Energy: 0.49207808082498133
Energy: 0.5138060877993778
Energy: 0.5557059955189394
Energy: 0.5490149388964972
Energy: 0.5038416970177062
Energy: 0.5021506448986772
Energy: 0.6351123149598685
Energy: 0.4767003198310875
Energy: 0.4764309848343742
Energy: 0.5732234953182055
Energy: 0.4761749329850222
Energy: 0.5177897163191783
Energy: 0.4913210421288813
Energy: 0.47724325419576574
Energy: 0.49072815920737706
Energy: 0.4910773863931914
Energy: 0.47580926685131925
Energy: 0.4906046524296005
Energy: 0.49046700089146966
Energy: 0.5019189982330566
Energy: 0.502014958177315
Energy: 0.49047609094537986
Energy: 0.5016497478750563
Energy: 0.5016599222737158
Energy: 0.49090084562273173
Energy: 0.5014188415291664
Energy: 0.5017809633295895
Energy: 0.5017494534573942
Energy: 0.4907030327647679
Energy: 0.5027247658022836
Energy: 0.5164700864320171
Energy: 0.49051664022950014
Energy: 0.49051260001501096
Energy: 0.5166973250201027
Energy: 0.4920549542104023
Energy: 0.49035089493792855
Energy: 0.6868069615185157
Energy: 0.49107665738478473
Energy: 0.4911527776817242
Energy: 0.521140808013218
Energy: 0.4909328500607928
Energy: 0.6015468697532378
Energy: 0.5169041966356581
Energy: 0.4906306264491299
Energy: 0.49058396445501473
Energy: 0.517289896474608
Energy: 0.5766425934668911
Energy: 0.4904470487048353
Energy: 0.5585930229372403
Energy: 0.5187573775251563
Energy: 0.5187611035997047
Energy: 0.5531652284713959
Energy: 0.5187597719156166
Energy: 0.5842649385763683
Energy: 0.475114481138299
Energy: 0.5294501701711258
Energy: 0.5222474113071022
Energy: 0.4753760289666206
Energy: 0.5503664041234694
Energy: 0.5396083464903797
Energy: 0.5520826033645126
Energy: 0.588453626300292
Energy: 0.5181183045447045
Energy: 0.4767697543742962
Energy: 0.637171264293828
Energy: 0.4912697098737637
Energy: 0.72545874683704
Energy: 0.4908330170940723
Energy: 0.5289671390287476
Energy: 0.4759460629138577
Energy: 0.5182655761014243
Energy: 0.5036437810499506
Energy: 0.47539375302744674
Energy: 0.5065769682996817
Energy: 0.5451757841059464
Energy: 0.47540842599681843
Energy: 0.5066577653152307
Energy: 0.5461273426575664
Energy: 0.47573228853486255
Energy: 0.5447533287936396
Energy: 0.47620521903715346
Energy: 0.4761422768455736
Energy: 0.5251879685883459
Energy: 0.47683974017251096
Energy: 0.4758093292976916
Energy: 0.47694904491702556
Energy: 0.47577471969307167
Energy: 0.47612961653454017
Energy: 0.5157749607349256
Energy: 0.4755964597239128
Energy: 0.47649380707698374
Energy: 0.4767279653394333
Energy: 0.47653396891715405
Energy: 0.4765230995228754
Energy: 0.5444373122396763
Energy: 0.47642687112418547
Energy: 0.47617548590577824
Energy: 0.5215071037922219
Energy: 0.5217323376320496
Energy: 0.47617846470817377
Energy: 0.5312678137361312
Energy: 0.4754566751303552
Energy: 0.5159393779397848
Energy: 0.5172355160449337
Energy: 0.5144514404558944
Energy: 0.505008487555121
Energy: 0.5193478647584175
Energy: 0.4906775289681049
Energy: 0.5153271406636846
Energy: 0.6004663938384782
Energy: 0.514147169955679
Energy: 0.49055268823590825
Energy: 0.5526505425333035
Energy: 0.4904905033964501
Energy: 0.4761235047441408
Energy: 0.5380411454438385
Energy: 0.4944848620567499
Energy: 0.47607325252350796
Energy: 0.5395765555714359
Energy: 0.5226552052306368
Energy: 0.631081577380427
Energy: 0.5038453499284623
Energy: 0.5562590093654396
Energy: 0.6312225158243336
Energy: 0.47589933688193126
Energy: 0.567303308289165
Energy: 0.5495897442310749
Energy: 0.5225196290040065
Energy: 0.5212288708379301
Energy: 0.5310131269879159
Energy: 0.5171700729440789
Energy: 0.5226910958438854
Energy: 0.5347112306851441
Energy: 0.6080697869720169
Energy: 0.5634667603099415
Energy: 0.47575823270501993
Energy: 0.47616522946976864
Energy: 0.4758710196763787
Energy: 0.5494401572406044
Energy: 0.4760427344353385
Energy: 0.47569168657378846
Energy: 0.5497259711001772
Energy: 0.4765260293554805
Energy: 0.47654819147890476
Energy: 0.5201121641819212
Energy: 0.47603471392511737
Energy: 0.4756770619082868
Energy: 0.5453283063840256
Energy: 0.47557151168101963
Energy: 0.47716570921286233
Energy: 0.5198724359668807
Energy: 0.5597119101095349
Energy: 0.5315211062287275
Energy: 0.4911143391661274
Energy: 0.47531124077764497
Energy: 0.5446142067518694
Energy: 0.520209752859211
Energy: 0.5449373849098526
Energy: 0.49073387092624143
Energy: 0.5179026522820749
Energy: 0.5142168850608109
Energy: 0.49118720385404774
Energy: 0.595794602024184
Energy: 0.490830543500068
Energy: 0.5174441606156424
Energy: 0.5962212500836859
Energy: 0.5208605428741604
Energy: 0.5649292531442227
Energy: 0.49121683042212194
Energy: 0.5137908724134148
Energy: 0.5455371903098069
Energy: 0.49120265835008436
Energy: 0.47544659400101164
Energy: 0.4903449318299768
Energy: 0.8103558080367161
Energy: 0.6089013297853199
Energy: 0.6499033433707073
Energy: 0.5037228601558856
Energy: 0.6559446589273275
Energy: 0.507181894813958

minimum gb energy = 0.475114481138299 eV
minimum distance =  2.6819534133821 Angstroms
sigma value = 57


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

Energy: 0.5741019870270726
Energy: 0.5950926610508064
Energy: 0.5448820248825701
Energy: 0.5748543948620474
Energy: 0.8671746874920199
Energy: 0.5445703148500656
Energy: 0.4909702987075121
Energy: 0.4928128776484304
Energy: 0.4927493604719026
Energy: 0.4929726052619259
Energy: 0.49311464104308556
Energy: 0.489993343603454
Energy: 0.6111845734489871
Energy: 0.4504821955985691
Energy: 0.45033184848275426
Energy: 0.6122400050394123
Energy: 0.5046936229189949
Energy: 0.4501396192555916
Energy: 0.4903135054989781
Energy: 0.45047196903110165
Energy: 0.45042288963420757
Energy: 0.48972220823285656
Energy: 0.5055164364629534
Energy: 0.48940071125679996
Energy: 0.48917133766847026
Energy: 0.4660923639638132
Energy: 0.46671713687032845
Energy: 0.4892317241166803
Energy: 0.4662235290699121
Energy: 0.466809146021066
Energy: 0.45042247514306927
Energy: 0.46803688603993515
Energy: 0.46584844324136887
Energy: 0.46596701564338816
Energy: 0.49021876952775606
Energy: 0.46576100087791855
Energy: 0.49282966018014057
Energy: 0.4900275291731115
Energy: 0.48910201955152127
Energy: 0.49332969226692
Energy: 0.4912055382248199
Energy: 0.48921608803779815
Energy: 0.48883288348200077
Energy: 0.564737906125274
Energy: 0.5640346372309015
Energy: 0.48910964938352763
Energy: 0.5657864303189498
Energy: 0.4898591278593879
Energy: 0.4927657296971856
Energy: 0.49071675592123015
Energy: 0.4895746862407426
Energy: 0.49334447513634183
Energy: 0.5582463919123767
Energy: 0.4903187779583352
Energy: 0.49298417725804927
Energy: 0.4893418419856174
Energy: 0.4890499277540373
Energy: 0.49304157144276256
Energy: 0.4893454002883944
Energy: 0.5493505636051016
Energy: 0.5580098155900336
Energy: 0.543801267773542
Energy: 0.49205182624133736
Energy: 0.5576148874568905
Energy: 0.49326596960954877
Energy: 0.4896462437054676
Energy: 0.4504280732744651
Energy: 0.5571289244135031
Energy: 0.49284201412808976
Energy: 0.45141696690241206
Energy: 0.5575829955702113
Energy: 0.5280265120951407
Energy: 0.45237961187376513
Energy: 0.4914359728459793
Energy: 0.5884140482993463
Energy: 0.5283747384723468
Energy: 0.4928951017968832
Energy: 0.5282163550404699
Energy: 0.5575205401236596
Energy: 0.4933394336782807
Energy: 0.4929232011407673
Energy: 0.5580277095336542
Energy: 0.49364760126811325
Energy: 0.48970847409558593
Energy: 0.49585924487516064
Energy: 0.47745454141590243
Energy: 0.4772164830095679
Energy: 0.49581293889688804
Energy: 0.5048934680250304
Energy: 0.47721220864082514
Energy: 0.4891985103438587
Energy: 0.4669325824305742
Energy: 0.4677938832738454
Energy: 0.489922468564605
Energy: 0.49354661340160494
Energy: 0.48911537782119424
Energy: 0.4901659831980685
Energy: 0.4656196799904895
Energy: 0.46579332568120757
Energy: 0.4896133762415759
Energy: 0.46590968430645585
Energy: 0.4660283032775015
Energy: 0.49006243858204007
Energy: 0.4898698660792468
Energy: 0.4675641176359473
Energy: 0.4672114565169178
Energy: 0.48943965240355686
Energy: 0.4681870007506558
Energy: 0.4928035802916285
Energy: 0.4893573940532682
Energy: 0.48986607868260446
Energy: 0.5216194115571409
Energy: 0.48934189467190253
Energy: 0.4902666402475735
Energy: 0.4926914367093404
Energy: 0.5505965478726095
Energy: 0.48966081287554575
Energy: 0.4932362057507826
Energy: 0.556859042064519
Energy: 0.49000032277864547
Energy: 0.49300196280684533
Energy: 0.4941139560218907
Energy: 0.49290360459716503
Energy: 0.4931138972023375
Energy: 0.4936643687692943
Energy: 0.48974286847975634
Energy: 0.5274036634513943
Energy: 0.5167765014369409
Energy: 0.5165744038148256
Energy: 0.5275401880271393
Energy: 0.5448227535962135
Energy: 0.5165662692276284
Energy: 0.5572506958257761
Energy: 0.4935517786550074
Energy: 0.4928855811990203
Energy: 0.5577765699730525
Energy: 0.4936068347581698
Energy: 0.4897093234291009
Energy: 0.6021579543961206
Energy: 0.5513516564077128
Energy: 0.5887331047610918
Energy: 0.5283111601398655
Energy: 0.5572413159100409
Energy: 0.5283085207245827

minimum gb energy = 0.4501396192555916 eV
minimum distance =  2.64919783697388 Angstroms
sigma value = 17


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

Energy: 0.6642036377590333
Energy: 0.5700169793119496
Energy: 0.5652539197633291
Energy: 0.4777327168126057
Energy: 0.568423910080495
Energy: 0.47785696823407503
Energy: 0.5497400360951871
Energy: 0.49798336296463025
Energy: 0.49779056938685223
Energy: 0.5375964963191482
Energy: 0.49908678590611594
Energy: 0.49768985372459534
Energy: 0.5949997090148963
Energy: 0.4542485152684609
Energy: 0.4543815741004242
Energy: 0.59584036139085
Energy: 0.45455757119339607
Energy: 0.454534036018701
Energy: 0.5003148139985232
Energy: 0.4541956617924987
Energy: 0.4545705032978036
Energy: 0.4980821068771381
Energy: 0.45461552221983476
Energy: 0.4975534007322092
Energy: 0.4979463372873961
Energy: 0.5006091754971267
Energy: 0.5010702450191354
Energy: 0.4978514448273326
Energy: 0.5003266718496509
Energy: 0.5013869250867262
Energy: 0.5942893044787043
Energy: 0.4453103757986757
Energy: 0.4455354683303198
Energy: 0.43534342533766923
Energy: 0.4450142114003281
Energy: 0.43618470301418927
Energy: 0.45423351029730985
Energy: 0.446197006109052
Energy: 0.44501786700291507
Energy: 0.49022708057430814
Energy: 0.4474481579275366
Energy: 0.49513107443760945
Energy: 0.4456769375059313
Energy: 0.5332327801640144
Energy: 0.5310761921990034
Energy: 0.5328696964140059
Energy: 0.5546660493787707
Energy: 0.5311448113539486
Energy: 0.4468544577687573
Energy: 0.5334610883238927
Energy: 0.5353809919697476
Energy: 0.4475593867317906
Energy: 0.44673768232438293
Energy: 0.44556176507197004
Energy: 0.44484735248535784
Energy: 0.4453571265785993
Energy: 0.4452849275297401
Energy: 0.44488012649063896
Energy: 0.44568184876862665
Energy: 0.4458740641044868
Energy: 0.5662170302835962
Energy: 0.472235982579931
Energy: 0.4998110935380391
Energy: 0.558086402164157
Energy: 0.4979827661788957
Energy: 0.5014174206940629
Energy: 0.49695874481767377
Energy: 0.49819098627016206
Energy: 0.49745890312110547
Energy: 0.4972856389919426
Energy: 0.49804213423029775
Energy: 0.497454391002144
Energy: 0.4973142291985151
Energy: 0.5395808968934159
Energy: 0.5396151335604752
Energy: 0.47164067283741384
Energy: 0.5972969562778362
Energy: 0.4978078420694426
Energy: 0.5570229837485985
Energy: 0.49821534238363163
Energy: 0.4983084437155493
Energy: 0.5564165220024494
Energy: 0.49830108037764714
Energy: 0.4978750799097346
Energy: 0.5564147127428435
Energy: 0.49770903451367515
Energy: 0.49724150168731135
Energy: 0.555917271332113
Energy: 0.49744368479579376
Energy: 0.5389476696677385
Energy: 0.5968078463670615
Energy: 0.5046632235336526
Energy: 0.4976570607169879
Energy: 0.5960175505226297
Energy: 0.5044315715102851
Energy: 0.49779794519167864
Energy: 0.5398305833902941
Energy: 0.5409684362765599
Energy: 0.5401361561882746
Energy: 0.514332828604045
Energy: 0.5970625962319552
Energy: 0.5401959115639791

minimum gb energy = 0.43534342533766923 eV
minimum distance =  2.60991281077054 Angstroms
sigma value = 17


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

Energy: 0.6792591888528188
Energy: 0.6267198179258182
Energy: 0.47037520049918047
Energy: 0.46665085518111
Energy: 0.6673263456050923
Energy: 0.4669365194781527
Energy: 0.5647799323227871
Energy: 0.48840357196576
Energy: 0.48830661659407076
Energy: 0.4879083896580728
Energy: 0.4895678596062614
Energy: 0.4884803290174036
Energy: 0.5665634375607528
Energy: 0.41798087280002477
Energy: 0.44920569019492074
Energy: 0.5670791299383499
Energy: 0.4177952964302229
Energy: 0.4491710069245346
Energy: 0.48931961401110174
Energy: 0.4492288655030442
Energy: 0.4493672732629603
Energy: 0.48991554242738694
Energy: 0.41841342220250277
Energy: 0.4493028728943903
Energy: 0.48759656354169945
Energy: 0.4843362426882657
Energy: 0.4861920510312598
Energy: 0.4875797300771758
Energy: 0.5307380155368727
Energy: 0.48549266869198454
Energy: 0.6118138761231702
Energy: 0.4349966095141278
Energy: 0.4185476224998895
Energy: 0.41827982703853955
Energy: 0.435137542813284
Energy: 0.41792023522548377
Energy: 0.49069366899728484
Energy: 0.4346805942885226
Energy: 0.4345585016537687
Energy: 0.48435923702814215
Energy: 0.4361508988163853
Energy: 0.47498806407290695
Energy: 0.5350638329487478
Energy: 0.49136856658206196
Energy: 0.45812989920546393
Energy: 0.5356565490022529
Energy: 0.4917978202101239
Energy: 0.457499296207531
Energy: 0.41566114014337713
Energy: 0.4970003864243914
Energy: 0.45915762771442276
Energy: 0.4147001481797235
Energy: 0.41420606090432704
Energy: 0.4140276194402896
Energy: 0.41427039386543957
Energy: 0.49463646775941167
Energy: 0.49584414052367654
Energy: 0.414220293567186
Energy: 0.4953659647740017
Energy: 0.49526192530779845
Energy: 0.5520635051230294
Energy: 0.4140925283017352
Energy: 0.49484434142999034
Energy: 0.49585618780842383
Energy: 0.41425347548587804
Energy: 0.49450533702125077
Energy: 0.4156462883534007
Energy: 0.4140136922422714
Energy: 0.41412720562599814
Energy: 0.416348195169527
Energy: 0.4163699527074257
Energy: 0.4588732446972715
Energy: 0.4337871968001966
Energy: 0.4645749231092104
Energy: 0.45988625558424956
Energy: 0.4574404769819883
Energy: 0.5171202620526042
Energy: 0.4590834516238779
Energy: 0.43516494491113783
Energy: 0.5103751314870911
Energy: 0.5101082636109947
Energy: 0.4357779915165871
Energy: 0.4882765112483376
Energy: 0.434673773156586
Energy: 0.4347753401516577
Energy: 0.5059031406832659
Energy: 0.4697243616810666
Energy: 0.4347386249399561
Energy: 0.45723656024021503
Energy: 0.435068676031226
Energy: 0.5376558366124919
Energy: 0.4877976964437619
Energy: 0.4854136274254951
Energy: 0.5306551508929757
Energy: 0.48796184609618076
Energy: 0.485732439443736
Energy: 0.41438685796591884
Energy: 0.48790985745438464
Energy: 0.48818503096297755
Energy: 0.43605214132917214
Energy: 0.48788005003828316
Energy: 0.43422127842008
Energy: 0.4443561591950011
Energy: 0.5196247074907521
Energy: 0.4877812852397594
Energy: 0.44168922572304986
Energy: 0.5659405455566842
Energy: 0.4347025882320119
Energy: 0.535036845299924
Energy: 0.4880611621674527
Energy: 0.48410855765610117
Energy: 0.5358122555498864
Energy: 0.46567122689168067
Energy: 0.4881502186534646
Energy: 0.5671050914739125
Energy: 0.4865713185945559
Energy: 0.48641223022057417
Energy: 0.5669555935073282
Energy: 0.4346699174650148
Energy: 0.4905647424736653
Energy: 0.568573777612805
Energy: 0.48804236621188235
Energy: 0.4877615008809811
Energy: 0.5651409836121362
Energy: 0.48831460082739275
Energy: 0.48789697345881783
Energy: 0.4817732521225805
Energy: 0.5221190778646481
Energy: 0.5563970922117983
Energy: 0.44923871132377013
Energy: 0.5669804136176783
Energy: 0.4493894316792748
Energy: 0.4794448980581497
Energy: 0.4882573708294329
Energy: 0.4886009208686598
Energy: 0.480200431640841
Energy: 0.5352054765010795
Energy: 0.5246258816877688
Energy: 0.5659182252462545
Energy: 0.4498729749996576
Energy: 0.4881843913158712
Energy: 0.5669224206461242
Energy: 0.4790733639275198
Energy: 0.4880404289065885
Energy: 0.48797831247947293
Energy: 0.4180283967156968
Energy: 0.4492858175730708
Energy: 0.48803789877458487
Energy: 0.4182379818121235
Energy: 0.4493410633902433
Energy: 0.4893058432292533
Energy: 0.4863376774311656
Energy: 0.48555320737605107
Energy: 0.48997264063968204
Energy: 0.48575965900729295
Energy: 0.4877039002824467
Energy: 0.44905164569045736
Energy: 0.5304369358432267
Energy: 0.43581582129796353
Energy: 0.41814503870246494
Energy: 0.5385152055349486
Energy: 0.4180841275098947
Energy: 0.4367995279576155
Energy: 0.4361349165360565
Energy: 0.43475192177016037
Energy: 0.43699957646549603
Energy: 0.43653585123946037
Energy: 0.43478094986484017
Energy: 0.5359913691303092
Energy: 0.5062637772525825
Energy: 0.5082849367725407
Energy: 0.5178515348903625
Energy: 0.43462150813028366
Energy: 0.5074706953784913
Energy: 0.41398858717152537
Energy: 0.4911758304353388
Energy: 0.45858902723356265
Energy: 0.41401208518089067
Energy: 0.49192036596615485
Energy: 0.4587001927471648
Energy: 0.41667911760791093
Energy: 0.4962431013763238
Energy: 0.4946182705303078
Energy: 0.41726832691852095
Energy: 0.49574729547555574
Energy: 0.4581347304242123
Energy: 0.5527936737007624
Energy: 0.49604680788849925
Energy: 0.49417309885120286
Energy: 0.5214293988967825
Energy: 0.4986957869705283
Energy: 0.4928452780293239
Energy: 0.43380707944470853
Energy: 0.4154651706530515
Energy: 0.41382567484385785
Energy: 0.4340652652152605
Energy: 0.41562813546668
Energy: 0.41413715716236865
Energy: 0.5905921116570336
Energy: 0.457225733092249
Energy: 0.45749627021850275
Energy: 0.4592794432167891
Energy: 0.41357665374363667
Energy: 0.4570337536285809
Energy: 0.43859171353925686
Energy: 0.5070114447765939
Energy: 0.5068539041576401
Energy: 0.4348183747145349
Energy: 0.5078200042029023
Energy: 0.5065030060692788
Energy: 0.4347175919346474
Energy: 0.45680359927348924
Energy: 0.43419062490269916
Energy: 0.4347904106814906
Energy: 0.45720801888053614
Energy: 0.43453473829203276
Energy: 0.5364281490684432
Energy: 0.4855833723557406
Energy: 0.43564090184957655
Energy: 0.5370051793261906
Energy: 0.4876239705141733
Energy: 0.4349757200323228
Energy: 0.47360969999703334
Energy: 0.48899108956850557
Energy: 0.4882393547060828
Energy: 0.4653145976573322
Energy: 0.48913736362934607
Energy: 0.48825637816811446
Energy: 0.48834988721325584
Energy: 0.565303606704426
Energy: 0.4340176677691544
Energy: 0.43456943921414287
Energy: 0.5653123138766807
Energy: 0.4351517851172534
Energy: 0.5344782104847181
Energy: 0.48849113618965656
Energy: 0.48804404492198905
Energy: 0.5340484600189441
Energy: 0.5221181228523865
Energy: 0.4634314015685455
Energy: 0.5361220576593717
Energy: 0.4341486245111541
Energy: 0.48743332367439013
Energy: 0.5345246810666763
Energy: 0.4338178466311144
Energy: 0.5192614520939883
Energy: 0.5653663682532012
Energy: 0.46686616342476767
Energy: 0.48737797237809555
Energy: 0.5660879427264561
Energy: 0.5198505165533956
Energy: 0.4883543149289836
Energy: 0.47943925027784484
Energy: 0.5200075371496354
Energy: 0.4884293856464424
Energy: 0.4798030492096629
Energy: 0.5208390839147702
Energy: 0.5245364291472293

minimum gb energy = 0.41357665374363667 eV
minimum distance =  2.59561898037973 Angstroms
sigma value = 57


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

Energy: 0.6200601310666287
Energy: 0.6348921586213867
Energy: 0.45657301797140387
Energy: 0.42203189452189427
Energy: 0.6348830378798616
Energy: 0.45567292817959404
Energy: 0.536067456999682
Energy: 0.47542591793387
Energy: 0.47688215441017273
Energy: 0.4773365133464681
Energy: 0.4738409908116498
Energy: 0.4720294999909986
Energy: 0.5365329843392965
Energy: 0.4065977146646788
Energy: 0.40708211748691664
Energy: 0.537581359019765
Energy: 0.40690418226447284
Energy: 0.4385786883818854
Energy: 0.47477647417011365
Energy: 0.40713058138333025
Energy: 0.4385734228475711
Energy: 0.47538752492053665
Energy: 0.4799442197180717
Energy: 0.4385704168954792
Energy: 0.4465418410663137
Energy: 0.4686564147814437
Energy: 0.4699625901197495
Energy: 0.4433829621333275
Energy: 0.4983762717103219
Energy: 0.4715362669353235
Energy: 0.5721591658473543
Energy: 0.4235280754294595
Energy: 0.40675829992439494
Energy: 0.46176152297397066
Energy: 0.4235143376606789
Energy: 0.4064363122054905
Energy: 0.5181095575078883
Energy: 0.42834423602434596
Energy: 0.4237425686963101
Energy: 0.5101494802376337
Energy: 0.4262774725701699
Energy: 0.45730606243906324
Energy: 0.5035749018878636
Energy: 0.46864685671499484
Energy: 0.46598076522195836
Energy: 0.5043918416523069
Energy: 0.46489931668695783
Energy: 0.4453302941996364
Energy: 0.39966749826704967
Energy: 0.4757611504017255
Energy: 0.3982461559525101
Energy: 0.40070577395344575
Energy: 0.5171980989903475
Energy: 0.3980711655727346
Energy: 0.39852607043142974
Energy: 0.47296853885745316
Energy: 0.46795667601718416
Energy: 0.3985479167407201
Energy: 0.4683025775056558
Energy: 0.4696309188627465
Energy: 0.535989801436375
Energy: 0.38620221229534896
Energy: 0.46307212822993987
Energy: 0.45991517893193384
Energy: 0.394537016592801
Energy: 0.4632622725720834
Energy: 0.512672909555745
Energy: 0.3905478021982073
Energy: 0.38603567367780983
Energy: 0.5132104903550436
Energy: 0.3905802581500986
Energy: 0.4602130099061394
Energy: 0.45421178923783606
Energy: 0.45821021213377666
Energy: 0.4539280147581071
Energy: 0.4621584623616893
Energy: 0.4620673491478938
Energy: 0.45616677867763544
Energy: 0.38622231550011393
Energy: 0.4625652890378689
Energy: 0.3859529937959131
Energy: 0.38730191770167044
Energy: 0.513061673729894
Energy: 0.3858536062733118
Energy: 0.38625370495486905
Energy: 0.4619589021395242
Energy: 0.4617327189621105
Energy: 0.3862991047504315
Energy: 0.4626024358501693
Energy: 0.4607393749460879
Energy: 0.5058110580214891
Energy: 0.3983186943497481
Energy: 0.4687938104261537
Energy: 0.46965147636789395
Energy: 0.4044216185094416
Energy: 0.4672995978810358
Energy: 0.40623382892873255
Energy: 0.403795047992654
Energy: 0.39811444470072943
Energy: 0.461832145728355
Energy: 0.4032136880796514
Energy: 0.4384340997185986
Energy: 0.42291807295863504
Energy: 0.4385124133867269
Energy: 0.44016678950564786
Energy: 0.42303608697057987
Energy: 0.4831808521872493
Energy: 0.43816641892504593
Energy: 0.4235314826970483
Energy: 0.44486001894395766
Energy: 0.42358659808664434
Energy: 0.4244480765020969
Energy: 0.5133159527743727
Energy: 0.42339089850527395
Energy: 0.5125256975482753
Energy: 0.4378715105627839
Energy: 0.44626344778462756
Energy: 0.5130191837344185
Energy: 0.4371297494974028
Energy: 0.47053803962646257
Energy: 0.5125222334890265
Energy: 0.4724323767753279
Energy: 0.4719418499229144
Energy: 0.5065039554871694
Energy: 0.47792789136038016
Energy: 0.4718375537814708
Energy: 0.47798027397752746
Energy: 0.47183467985033634
Energy: 0.4489364581595974
Energy: 0.43870499417760617
Energy: 0.4769437296737346
Energy: 0.4233451769329193
Energy: 0.43082978737412986
Energy: 0.5013123978877347
Energy: 0.4720857963053358
Energy: 0.47211741661397016
Energy: 0.5368781233582774
Energy: 0.47176075008278623
Energy: 0.5099448097841586
Energy: 0.42815717300829215
Energy: 0.4674493189640471
Energy: 0.5106904722109961
Energy: 0.49780556653636043
Energy: 0.47185128053627046
Energy: 0.5394257747232649
Energy: 0.4226947519141215
Energy: 0.4233800322242439
Energy: 0.5397544822045812
Energy: 0.42346907708113
Energy: 0.47168753267228297
Energy: 0.539842356137373
Energy: 0.47676806376584263
Energy: 0.47202110182366536
Energy: 0.5410025127285878
Energy: 0.4761013941370522
Energy: 0.47174767990411426
Energy: 0.43811177275239815
Energy: 0.5009301102336048
Energy: 0.4389095254894589
Energy: 0.40687605942802546
Energy: 0.53842918635491
Energy: 0.4385219130888789

minimum gb energy = 0.3858536062733118 eV
minimum distance =  2.60918217505841 Angstroms
sigma value = 43


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

Energy: 0.5668431351968988
Energy: 0.5171294194232445
Energy: 0.4186095965111961
Energy: 0.3755578756343425
Energy: 0.5171840854861252
Energy: 0.392606337418068
Energy: 0.47005153319956267
Energy: 0.4243456867392078
Energy: 0.42420749195996676
Energy: 0.4245744730228187
Energy: 0.4264925020980449
Energy: 0.4206342510705195
Energy: 0.4731651712453171
Energy: 0.41068352358486027
Energy: 0.3741041982794465
Energy: 0.4733751078317761
Energy: 0.41112761570208156
Energy: 0.37192575404563255
Energy: 0.42646587081468135
Energy: 0.37506700604345944
Energy: 0.3725473001912064
Energy: 0.4270686631247985
Energy: 0.4470045510494882
Energy: 0.3991618874098056
Energy: 0.428255852685707
Energy: 0.38598303757786434
Energy: 0.38593180143165573
Energy: 0.4281829953077129
Energy: 0.4150033963870479
Energy: 0.412355530170422
Energy: 0.5310790541602789
Energy: 0.38604747841217807
Energy: 0.3721521364905856
Energy: 0.4012767770597457
Energy: 0.38593301656496254
Energy: 0.3528215537064871
Energy: 0.45163520267201795
Energy: 0.38596509887822367
Energy: 0.3859084657893779
Energy: 0.3929105676012259
Energy: 0.3886944898621643
Energy: 0.3862368554285437
Energy: 0.4454729855524625
Energy: 0.40084492007153644
Energy: 0.41002398860965417
Energy: 0.44544514026692583
Energy: 0.40069925834354764
Energy: 0.4100295590485667
Energy: 0.3637689217972101
Energy: 0.410195999332821
Energy: 0.3626151825141758
Energy: 0.36448954696521213
Energy: 0.4466865165381843
Energy: 0.36268773330833753
Energy: 0.3626851127472093
Energy: 0.40472763676615847
Energy: 0.41650688829921595
Energy: 0.362579679856433
Energy: 0.37788681538075514
Energy: 0.41834645948815985
Energy: 0.34138015924616555
Energy: 0.34669201956516793
Energy: 0.3794945002192717
Energy: 0.3955306479683332
Energy: 0.3466705930208285
Energy: 0.40124356072548795
Energy: 0.4436037172455071
Energy: 0.3466649571734875
Energy: 0.34676773844115744
Energy: 0.4239154994867201
Energy: 0.3467772416539377
Energy: 0.4073514423592108
Energy: 0.43856112769963873
Energy: 0.3955347121704283
Energy: 0.3976519992176604
Energy: 0.43925568333781795
Energy: 0.3953753691333762
Energy: 0.3986162660731488
Energy: 0.33696780289643125
Energy: 0.4255770663838773
Energy: 0.33658355787258926
Energy: 0.33783325751552057
Energy: 0.4392720868100167
Energy: 0.336681061541273
Energy: 0.336392872203864
Energy: 0.39176024854492697
Energy: 0.39620839711716593
Energy: 0.3364203362643318
Energy: 0.39908914739603135
Energy: 0.39917665237013145
Energy: 0.4377702559655237
Energy: 0.3319654756720014
Energy: 0.33175782267458565
Energy: 0.3950289741931429
Energy: 0.33195309387630145
Energy: 0.3954935793998479
Energy: 0.44027586332632795
Energy: 0.3318276910287782
Energy: 0.3318224183774427
Energy: 0.3963023824862744
Energy: 0.3319592729387491
Energy: 0.39611794817747153
Energy: 0.43860979483341994
Energy: 0.3877834852218089
Energy: 0.3901211480643468
Energy: 0.43956919703368863
Energy: 0.3920988899923573
Energy: 0.39491393149986315
Energy: 0.33181108834040024
Energy: 0.4364466645267926
Energy: 0.33212713910721015
Energy: 0.33294360634022185
Energy: 0.4386775618802522
Energy: 0.33180791220070704
Energy: 0.437008409783724
Energy: 0.39303712321571405
Energy: 0.3869183867838846
Energy: 0.4379975825117871
Energy: 0.39354263201675777
Energy: 0.3989633545956623
Energy: 0.44054570009806004
Energy: 0.3367683402846416
Energy: 0.3366968393500464
Energy: 0.39546186832051283
Energy: 0.3367084257056715
Energy: 0.39891326911504216
Energy: 0.38722913792403213
Energy: 0.33685781247789465
Energy: 0.33642243777866637
Energy: 0.39915989814618064
Energy: 0.3368998231299751
Energy: 0.39918128228001076
Energy: 0.3464804680045331
Energy: 0.3978588009738248
Energy: 0.40323340957104703
Energy: 0.34651285478978755
Energy: 0.39948020641669535
Energy: 0.4029806062301042
Energy: 0.34693375567999907
Energy: 0.4438120599566535
Energy: 0.3467263582366729
Energy: 0.34785088087577204
Energy: 0.4440033809848992
Energy: 0.34680702456863455
Energy: 0.4419632289960294
Energy: 0.3983348240979633
Energy: 0.4063740058357229
Energy: 0.442831255267196
Energy: 0.39810332364945694
Energy: 0.40679567725710236
Energy: 0.4523739413297799
Energy: 0.36276358052770835
Energy: 0.3626397724684597
Energy: 0.41265604229594804
Energy: 0.3630271803598087
Energy: 0.4187898010477164
Energy: 0.3473548109423303
Energy: 0.36274894918782413
Energy: 0.36269546720355045
Energy: 0.398436109916259
Energy: 0.3627357793824483
Energy: 0.4054129436929992
Energy: 0.3857230696321973
Energy: 0.39287303071007434
Energy: 0.39846382667617897
Energy: 0.3857610876248919
Energy: 0.39999458268087934
Energy: 0.39818578337996036
Energy: 0.3867907312854264
Energy: 0.41697524299658034
Energy: 0.38592095678208377
Energy: 0.38751843642566797
Energy: 0.45168898797783624
Energy: 0.38597851141024425
Energy: 0.4503277716556249
Energy: 0.4054886799800682
Energy: 0.39229744656037496
Energy: 0.45066769326695283
Energy: 0.40574643588741405
Energy: 0.3921932043029436
Energy: 0.44958558743819427
Energy: 0.4243959496757705
Energy: 0.4241069725091366
Energy: 0.38607489100855424
Energy: 0.42700699163671824
Energy: 0.42190423278029926
Energy: 0.5477414906141606
Energy: 0.42412196507255845
Energy: 0.4051546536622346
Energy: 0.4072142994261758
Energy: 0.42415004903923864
Energy: 0.36291493398759933
Energy: 0.4221683909198074
Energy: 0.42410604271845365
Energy: 0.4241547735397138
Energy: 0.42219979393758655
Energy: 0.4708542049683921
Energy: 0.42397390636643995
Energy: 0.4530545229490327
Energy: 0.38597375938224215
Energy: 0.3860046540215251
Energy: 0.4535676045509628
Energy: 0.452951260153729
Energy: 0.4240413518205235
Energy: 0.47242548792911104
Energy: 0.3649780880403426
Energy: 0.38716755289086113
Energy: 0.47150555605126515
Energy: 0.3634166544084889
Energy: 0.3861613573414508
Energy: 0.4543419130331111
Energy: 0.42424305078055763
Energy: 0.4241482406445521
Energy: 0.4432482062301724
Energy: 0.4456682296307675
Energy: 0.4241364357486509

minimum gb energy = 0.33175782267458565 eV
minimum distance =  2.58809055876092 Angstroms
sigma value = 81


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

Energy: 0.15975857559569512
Energy: 0.2753165161659159
Energy: 0.0834607037847321
Energy: 0.08462147031253005
Energy: 0.2753797109937585
Energy: 0.15978930432386895
Energy: 0.26084219260790636
Energy: 0.2445961267327414
Energy: 0.24480339135736692
Energy: 0.2840420489626883
Energy: 0.2452874680361893
Energy: 0.24179912828134734
Energy: 0.2596073600322663
Energy: 0.08347139000842109
Energy: 0.08352325067149473
Energy: 0.2815622895133585
Energy: 0.08337293124376306
Energy: 0.08379142253159658
Energy: 0.25187491830214315
Energy: 0.08350230365388499
Energy: 0.08345105477523027
Energy: 0.2518774210047616
Energy: 0.08350275071720095
Energy: 0.10633328998168358
Energy: 0.10594828237104158
Energy: 0.26445318805370144
Energy: 0.2640288493852364
Energy: 0.10665074223863655
Energy: 0.26401961236535576
Energy: 0.264753884108336
Energy: 0.08378110642210446
Energy: 0.2421126201007761
Energy: 0.08370349611189933
Energy: 0.08489435766913062
Energy: 0.1591702489713084
Energy: 0.08339569691484844
Energy: 0.27246214065665975
Energy: 0.24380699406572917
Energy: 0.24209038779894348
Energy: 0.2700850856711234
Energy: 0.2420377131133699
Energy: 0.24226231897814812
Energy: 0.2726819077801893
Energy: 0.08343261277360545
Energy: 0.08349608700110482
Energy: 0.27178925788993985
Energy: 0.0833679783704498
Energy: 0.08356678723776806
Energy: 0.23908341910329545
Energy: 0.08353858951601432
Energy: 0.10681145514041089
Energy: 0.26250003923644377
Energy: 0.08339221944130872
Energy: 0.10729214476056059
Energy: 0.1598244971678467
Energy: 0.2655311020183755
Energy: 0.2674292961695542
Energy: 0.08362545584582863
Energy: 0.2674224036284081
Energy: 0.26374783679238667

minimum gb energy = 0.0833679783704498 eV
minimum distance =  2.75774066294667 Angstroms
sigma value = 3


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

Energy: 0.4913948885565221
Energy: 0.4751485046432028
Energy: 0.4760314776876853
Energy: 0.4488136576019744
Energy: 0.45582302955724324
Energy: 0.44930861436267033
Energy: 0.4612073171273441
Energy: 0.45210990409122936
Energy: 0.451878018229345
Energy: 0.4524878994990783
Energy: 0.4531183439446098
Energy: 0.45633654366193016
Energy: 0.46622347276915105
Energy: 0.44224588343707655
Energy: 0.44228415826865536
Energy: 0.46612401192556313
Energy: 0.426825832855365
Energy: 0.4558651506314614
Energy: 0.43285079977831165
Energy: 0.4417501865534185
Energy: 0.4419165885488298
Energy: 0.4337507092577129
Energy: 0.3947222015513877
Energy: 0.45602061655780235
Energy: 0.3952136104257247
Energy: 0.45203413038765294
Energy: 0.45652052341702587
Energy: 0.39501253491712957
Energy: 0.45294388464254576
Energy: 0.4561844390849949
Energy: 0.4291618472596458
Energy: 0.462642597463293
Energy: 0.44324187048659436
Energy: 0.4249730183326352
Energy: 0.44805865176728843
Energy: 0.4238703940684967
Energy: 0.4283243870518846
Energy: 0.39582625407761296
Energy: 0.4321884969568183
Energy: 0.4272210849713995
Energy: 0.3953787970393231
Energy: 0.4589880320365029
Energy: 0.43298163686732816
Energy: 0.42401598338251945
Energy: 0.4237029382004263
Energy: 0.432942447947666
Energy: 0.41272483575853547
Energy: 0.40648602830019664
Energy: 0.4270348602467948
Energy: 0.4231589660341023
Energy: 0.44312785322960435
Energy: 0.43425732135145056
Energy: 0.37245740509575226
Energy: 0.4434115158872011
Energy: 0.372705807410375
Energy: 0.39574245416021986
Energy: 0.3956618258723278
Energy: 0.37255499481342874
Energy: 0.39719011446476377
Energy: 0.40665979489292825
Energy: 0.4147210574615849
Energy: 0.42454871272308586
Energy: 0.42420973721664557
Energy: 0.4136657022870535
Energy: 0.41529930651259384
Energy: 0.41301461568641257
Energy: 0.37356358583717975
Energy: 0.4235380131856531
Energy: 0.42448912097388425
Energy: 0.3732058730171677
Energy: 0.4168465765611703
Energy: 0.3729168686805027
Energy: 0.37176332999846706
Energy: 0.4072017512063604
Energy: 0.4135984968384947
Energy: 0.3719067389469734
Energy: 0.4073483489769811
Energy: 0.3717027879256262
Energy: 0.41120809526602686
Energy: 0.41968539230330554
Energy: 0.41248844703726595
Energy: 0.412898365312648
Energy: 0.4202511972853899
Energy: 0.4135234839095731
Energy: 0.4093153688192625
Energy: 0.35785983640588753
Energy: 0.3576364428747356
Energy: 0.40695068212626995
Energy: 0.35901711628146166
Energy: 0.35750805420016424
Energy: 0.40694822809273984
Energy: 0.40905894590525294
Energy: 0.40856054585719176
Energy: 0.40696719325390296
Energy: 0.4060736739492029
Energy: 0.4092066507940277
Energy: 0.35098374812935595
Energy: 0.4073476244700655
Energy: 0.40640992114236313
Energy: 0.3509340266234721
Energy: 0.4079232483122284
Energy: 0.3508616839610918
Energy: 0.35085384883646875
Energy: 0.4053729623737764
Energy: 0.40801754252356504
Energy: 0.35090315621196716
Energy: 0.40532055422982993
Energy: 0.4175310487543755
Energy: 0.41967199679105305
Energy: 0.4169163546267338
Energy: 0.4060515221461876
Energy: 0.4053183746478167
Energy: 0.4185295242767258
Energy: 0.4075990968194354
Energy: 0.4031449985763594
Energy: 0.3509573538713369
Energy: 0.35088902624910495
Energy: 0.4041755700218586
Energy: 0.35297906364341314
Energy: 0.350667429625746
Energy: 0.4060893480869172
Energy: 0.40658020146276197
Energy: 0.40858691871814246
Energy: 0.4062556738712582
Energy: 0.40703048882952925
Energy: 0.4071534880298949
Energy: 0.35894012776119716
Energy: 0.40691545344416197
Energy: 0.4078730093345446
Energy: 0.35973334571573484
Energy: 0.40686436717121
Energy: 0.35764283472334324
Energy: 0.35889568537560773
Energy: 0.4135537840480614
Energy: 0.4138477767077987
Energy: 0.3589639415094495
Energy: 0.4122438296380798
Energy: 0.412394812530423
Energy: 0.4094494848014811
Energy: 0.37219414628386954
Energy: 0.372042480736193
Energy: 0.4091465019705746
Energy: 0.37209778240742447
Energy: 0.4084811358340634
Energy: 0.4172752608942975
Energy: 0.3721193216107259
Energy: 0.3723241637291305
Energy: 0.4175444910938758
Energy: 0.3723707874069973
Energy: 0.3725324517166192
Energy: 0.4162995793268611
Energy: 0.41643369213636205
Energy: 0.416447407545375
Energy: 0.4163755036237947
Energy: 0.41634596745160796
Energy: 0.4246702362834391
Energy: 0.39567841039410145
Energy: 0.41585585842778416
Energy: 0.4163123881293815
Energy: 0.3965343300193429
Energy: 0.42189907578812047
Energy: 0.39552718614312765
Energy: 0.3818931144992062
Energy: 0.43414689229517417
Energy: 0.4334434529538561
Energy: 0.38169340715712385
Energy: 0.4012293446182529
Energy: 0.4332587494460691
Energy: 0.4196637666440078
Energy: 0.4325694506157526
Energy: 0.42152598672179353
Energy: 0.41738731092056947
Energy: 0.43272841650687033
Energy: 0.41639365476861695
Energy: 0.39643633869923317
Energy: 0.4253209522343607
Energy: 0.4225212879195603
Energy: 0.39671655595053
Energy: 0.4282069781990992
Energy: 0.4226269558061698
Energy: 0.4235584398493178
Energy: 0.4303645345581455
Energy: 0.4301282371925517
Energy: 0.4236943843622406
Energy: 0.41652861353997445
Energy: 0.4300111428475931
Energy: 0.46685940259515013
Energy: 0.4297615174110601
Energy: 0.45403421187265924
Energy: 0.4669619168118317
Energy: 0.4106178541119362
Energy: 0.45653989743727497
Energy: 0.4083930968022077
Energy: 0.4327916834089807
Energy: 0.43242870459810934
Energy: 0.408369119944092
Energy: 0.43425044847428135
Energy: 0.45572428939092957

minimum gb energy = 0.350667429625746 eV
minimum distance =  2.66529953855688 Angstroms
sigma value = 67


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

Energy: 0.5184475898856575
Energy: 0.5595691736657213
Energy: 0.5282552464106073
Energy: 0.5188016779338112
Energy: 0.6654353554093105
Energy: 0.5301139539902344
Energy: 0.5303768468611656
Energy: 0.523852578798956
Energy: 0.5165990587985301
Energy: 0.530448409969989
Energy: 0.5180623604778383
Energy: 0.5222473587493672
Energy: 0.5336479565915861
Energy: 0.5014734524278588
Energy: 0.5210577216949793
Energy: 0.5323952796289924
Energy: 0.5146482932004206
Energy: 0.5216248710427207
Energy: 0.4782848987433247
Energy: 0.5211507027359957
Energy: 0.5210342950530992
Energy: 0.47901065548001764
Energy: 0.48206900280567283
Energy: 0.5216753510282192
Energy: 0.478326313717636
Energy: 0.5208932627169789
Energy: 0.5260313026641511
Energy: 0.4783766081386068
Energy: 0.5395855047164071
Energy: 0.5220684713555722
Energy: 0.48390674879243173
Energy: 0.5336194194245464
Energy: 0.5006983118712086
Energy: 0.5010318830939967
Energy: 0.5299529412537516
Energy: 0.5017122210094386
Energy: 0.47916832573316354
Energy: 0.47570244109392174
Energy: 0.48582296518101403
Energy: 0.4795214652857925
Energy: 0.43831263819197624
Energy: 0.4839956492379526
Energy: 0.4817044787803738
Energy: 0.48211859010809344
Energy: 0.4859157093664505
Energy: 0.48241940570584546
Energy: 0.4815734862222601
Energy: 0.48329825725490594
Energy: 0.48620202358028514
Energy: 0.5014681216625609
Energy: 0.5053625585731633
Energy: 0.49418100690339956
Energy: 0.435818136932966
Energy: 0.5039181080033234
Energy: 0.48632189710890306
Energy: 0.4383535944207294
Energy: 0.4355987574211763
Energy: 0.4870391735534515
Energy: 0.4369958337046241
Energy: 0.43523296904043957
Energy: 0.4849118374676283
Energy: 0.48568071455518386
Energy: 0.48482085884585596
Energy: 0.48219165222525173
Energy: 0.49165090784679444
Energy: 0.48576058734442523
Energy: 0.41603375641066814
Energy: 0.48421091168321906
Energy: 0.4831771927985106
Energy: 0.4160655420565452
Energy: 0.47951533815158226
Energy: 0.41618793726024844
Energy: 0.41998702034771385
Energy: 0.4801781469099207
Energy: 0.47900504622912105
Energy: 0.416365652317322
Energy: 0.47669089232936496
Energy: 0.4160996441273118
Energy: 0.4715456513444253
Energy: 0.4859841154050765
Energy: 0.4777847495336111
Energy: 0.47657816192916197
Energy: 0.4838673613981217
Energy: 0.4787461298488438
Energy: 0.4720942658155591
Energy: 0.41884616204030384
Energy: 0.41605855993419244
Energy: 0.4725920476553615
Energy: 0.41793450568420343
Energy: 0.4161027134990491
Energy: 0.47210854932382545
Energy: 0.4868369784274299
Energy: 0.4843603794894542
Energy: 0.48506513329817014
Energy: 0.4525569268594923
Energy: 0.48317337585302
Energy: 0.43795249553415055
Energy: 0.48003533934161946
Energy: 0.47792074728561335
Energy: 0.4383320546277555
Energy: 0.4755953675502668
Energy: 0.43558052025150085
Energy: 0.4369381778232295
Energy: 0.49397886897605753
Energy: 0.5031100923464494
Energy: 0.43684579070486235
Energy: 0.4538255563427771
Energy: 0.47673287459979025
Energy: 0.4755721127038372
Energy: 0.5123633209979517
Energy: 0.4872440546348085
Energy: 0.4872384334576446
Energy: 0.515349990824825
Energy: 0.4873185026279932
Energy: 0.4755320015979297
Energy: 0.48120082179184187
Energy: 0.4855073278400205
Energy: 0.4750817253150615
Energy: 0.4824532010981581
Energy: 0.48385801600466416
Energy: 0.47291373210642357
Energy: 0.5133340309292496
Energy: 0.5135156150281326
Energy: 0.4733587976413616
Energy: 0.4594313492808833
Energy: 0.5187663289091553
Energy: 0.5334039694069581
Energy: 0.4869065953221941
Energy: 0.5135084197117928
Energy: 0.5323470658877044
Energy: 0.49923164190343966
Energy: 0.5135255111977606
Energy: 0.506937791843293
Energy: 0.47954727133598746
Energy: 0.4844337203613551
Energy: 0.5051230748429539
Energy: 0.48155827430688003
Energy: 0.5224956917928522

minimum gb energy = 0.41603375641066814 eV
minimum distance =  2.61100077353504 Angstroms
sigma value = 33


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

Energy: 0.6630801833371442
Energy: 0.6267673832165953
Energy: 0.6115358409673125
Energy: 0.6654208760184245
Energy: 0.6026743876628743
Energy: 0.5575108981750727
Energy: 0.558809470686438
Energy: 0.5451333760769351
Energy: 0.5444528526275959
Energy: 0.5589473566568652
Energy: 0.560798307111078
Energy: 0.5454176163164245
Energy: 0.5603131101596827
Energy: 0.5520617034546688
Energy: 0.5519700063159254
Energy: 0.5608534402235018
Energy: 0.547501667156782
Energy: 0.543468136805854
Energy: 0.49474347308089406
Energy: 0.5522327031625544
Energy: 0.5521298396029687
Energy: 0.49529191287965635
Energy: 0.4976372878504348
Energy: 0.5521131156425263
Energy: 0.49486874662768704
Energy: 0.5455691832682235
Energy: 0.5448830071793915
Energy: 0.4948912994808579
Energy: 0.5601395994986264
Energy: 0.5531994651123665
Energy: 0.5447624002424837
Energy: 0.5728073838201282
Energy: 0.5676571809248353
Energy: 0.5491941457812791
Energy: 0.5877982172194631
Energy: 0.5297010014627976
Energy: 0.49487236487623626
Energy: 0.507693921795191
Energy: 0.5542377041249462
Energy: 0.49511047863023727
Energy: 0.49803466828345844
Energy: 0.491080555475452
Energy: 0.4960046962455444
Energy: 0.5302093379097229
Energy: 0.5299081770056873
Energy: 0.4951555134918573
Energy: 0.5298693179549867
Energy: 0.4944169666307608
Energy: 0.515652873732019
Energy: 0.5298686006593499
Energy: 0.5324750903086737
Energy: 0.5266148805029416
Energy: 0.45494318216739443
Energy: 0.5299904773414666
Energy: 0.5139384259859435
Energy: 0.45542786723754275
Energy: 0.45560139144294776
Energy: 0.5148794596910553
Energy: 0.4558132806665576
Energy: 0.4552217428664226
Energy: 0.5146107121442358
Energy: 0.5185184296885567
Energy: 0.5196551806365998
Energy: 0.5174170757831242
Energy: 0.516321218859108
Energy: 0.5190957671214166
Energy: 0.45532235019807676
Energy: 0.5176674909458142
Energy: 0.5209256353184931
Energy: 0.4553459614227451
Energy: 0.5148881851770325
Energy: 0.45526470183489587
Energy: 0.45537851511913563
Energy: 0.5314006686318806
Energy: 0.5331214683274154
Energy: 0.4553947646652394
Energy: 0.5145642892202406
Energy: 0.455013334636876
Energy: 0.5190454997168167
Energy: 0.5334042936831666
Energy: 0.5305033845829776
Energy: 0.5235762056711188
Energy: 0.5360362103289654
Energy: 0.5165139936947075
Energy: 0.5175133675197613
Energy: 0.4951011221417926
Energy: 0.4940551597460677
Energy: 0.4883804868812709
Energy: 0.49545998283481313
Energy: 0.5036043137326892
Energy: 0.4932467433031444
Energy: 0.5406636823394397
Energy: 0.5405895874246699
Energy: 0.5040771874761715
Energy: 0.4634826708582662
Energy: 0.5529356197029731
Energy: 0.5587713729454817
Energy: 0.5405952060868909
Energy: 0.5405608722662905
Energy: 0.5587658772519433
Energy: 0.5402138981331867
Energy: 0.5334587326867621
Energy: 0.5592084865101252
Energy: 0.4949936298092623
Energy: 0.5447369578082724
Energy: 0.5589624818097885
Energy: 0.4948790167966157
Energy: 0.5416907107859934
Energy: 0.5682283702279411
Energy: 0.5010182502561337
Energy: 0.5909942427019858
Energy: 0.5685619264733014
Energy: 0.5730657028261208
Energy: 0.533139480523496
Energy: 0.5236578749773388
Energy: 0.5458544998951367
Energy: 0.5446381964416337
Energy: 0.52371469445628
Energy: 0.5602190958016019
Energy: 0.544935691500972
Energy: 0.5590912363089813
Energy: 0.5522998940161903
Energy: 0.5520370199971232
Energy: 0.559775331803662
Energy: 0.4977981579877624
Energy: 0.5526600313725896
Energy: 0.4947920530953031
Energy: 0.5520814883588457
Energy: 0.5520974370346505
Energy: 0.4952950321282059
Energy: 0.5477119724670377
Energy: 0.5520500602976423
Energy: 0.495029906982952
Energy: 0.5453795581275271
Energy: 0.5400086760721042
Energy: 0.49488242418487294
Energy: 0.5607234161173753
Energy: 0.55390850351372
Energy: 0.5443463392193311
Energy: 0.5865684715028893
Energy: 0.5678171516342003
Energy: 0.5445729206909975
Energy: 0.5863297164814447
Energy: 0.5226317441539037
Energy: 0.49547076083825214
Energy: 0.5062497736496503
Energy: 0.5534718420128297
Energy: 0.49451603553912266
Energy: 0.4979896715517787
Energy: 0.5546705076972862
Energy: 0.4946438987818319
Energy: 0.5302636855585379
Energy: 0.5300583417386102
Energy: 0.4953281094269853
Energy: 0.5300046037686899
Energy: 0.49444601971993873
Energy: 0.5147772240622207
Energy: 0.5304896197146525
Energy: 0.5324787154355033
Energy: 0.5378336967317436
Energy: 0.4551362544105393
Energy: 0.5302619655473951
Energy: 0.514014697211535
Energy: 0.455485568388551
Energy: 0.45545838039576614
Energy: 0.5150606176737469
Energy: 0.45635932926040673
Energy: 0.45516145244357403
Energy: 0.5149544972284001
Energy: 0.4889950564771105
Energy: 0.5179701470770345
Energy: 0.517868873482041
Energy: 0.5152948531603128
Energy: 0.521246037194996
Energy: 0.4551202890384031
Energy: 0.518022263780623
Energy: 0.5178160789243519
Energy: 0.455160611392311
Energy: 0.5155399712083848
Energy: 0.4547275615981614
Energy: 0.45530073006575505
Energy: 0.5223430537391567
Energy: 0.4958787540772241
Energy: 0.45531665110223146
Energy: 0.48718265892025975
Energy: 0.4551438639123098
Energy: 0.5202914960555078
Energy: 0.5327452417511284
Energy: 0.5323277371414853
Energy: 0.48787006370229086
Energy: 0.5358942604194433
Energy: 0.5195120713523925
Energy: 0.4872704861909087
Energy: 0.4949330766992296
Energy: 0.494722718552945
Energy: 0.48787120183370425
Energy: 0.4952786622105633
Energy: 0.5036175468867552
Energy: 0.49955641240256676
Energy: 0.46329317135983694
Energy: 0.5528880130672552
Energy: 0.49984990688155057
Energy: 0.4634476932694815
Energy: 0.553445045307247
Energy: 0.5587099063958683
Energy: 0.5404360653702962
Energy: 0.5406131678676257
Energy: 0.5586495753369135
Energy: 0.5236204569109079
Energy: 0.5337381922252841
Energy: 0.5602957078705673
Energy: 0.49447700412445045
Energy: 0.495329809924755
Energy: 0.5599683281810589
Energy: 0.49445706265589723
Energy: 0.540365046402871
Energy: 0.5682509576889332
Energy: 0.5588663295889353
Energy: 0.5780228614337937
Energy: 0.5624775433376333
Energy: 0.5478953746962446
Energy: 0.5339834569603158

minimum gb energy = 0.4547275615981614 eV
minimum distance =  2.58027622495419 Angstroms
sigma value = 41


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

Energy: 0.6314249098389523
Energy: 0.6092029411905334
Energy: 0.6446606148417605
Energy: 0.6330115296589767
Energy: 0.6088686918118399
Energy: 0.6455723508794257
Energy: 0.5837588256070417
Energy: 0.5665652366360225
Energy: 0.5663669403245426
Energy: 0.5837361744997285
Energy: 0.5853040258540702
Energy: 0.5665746912142555
Energy: 0.5831438514520153
Energy: 0.5863179246617671
Energy: 0.5863835106900683
Energy: 0.5837350759904737
Energy: 0.5645916118812787
Energy: 0.5659928204591653
Energy: 0.5122076110208295
Energy: 0.5847306435420807
Energy: 0.5860201874242869
Energy: 0.5125325107816183
Energy: 0.5107066781515496
Energy: 0.5672522286413676
Energy: 0.5118880378419982
Energy: 0.5863302428703333
Energy: 0.5668010335887846
Energy: 0.5117845272260284
Energy: 0.583270280553477
Energy: 0.5882227508619029
Energy: 0.5791675427167792
Energy: 0.6014347371091064
Energy: 0.6039811292917974
Energy: 0.5785035461744548
Energy: 0.6215242016120492
Energy: 0.6038346018725442
Energy: 0.5118388750071864
Energy: 0.5878390838381089
Energy: 0.5873737711445918
Energy: 0.5120020369667061
Energy: 0.5856997699400966
Energy: 0.5121254774387959
Energy: 0.5134185941722842
Energy: 0.5748480184331983
Energy: 0.5336928584058582
Energy: 0.5141561875384847
Energy: 0.581040327050092
Energy: 0.5122635933955866
Energy: 0.562309353870176
Energy: 0.5831678825712856
Energy: 0.5743161465823996
Energy: 0.5630280353111563
Energy: 0.5338132475501066
Energy: 0.5739340914207973
Energy: 0.5365127702576913
Energy: 0.5149256650600678
Energy: 0.5125773938189369
Energy: 0.5359323223288767
Energy: 0.5124026902071265
Energy: 0.5363252671933064
Energy: 0.529183599539612
Energy: 0.5154947531961599
Energy: 0.5869943913412551
Energy: 0.529694815949236
Energy: 0.488643981811291
Energy: 0.5865898444093018
Energy: 0.5829754454443287
Energy: 0.571929677521506
Energy: 0.555180893698375
Energy: 0.5829452150893263
Energy: 0.5875732566977037
Energy: 0.5556815586783882
Energy: 0.586604597265135
Energy: 0.5663641777364975
Energy: 0.5661157158549454
Energy: 0.586436519319149
Energy: 0.5671876591210026
Energy: 0.5670923304422764
Energy: 0.5906505385921591
Energy: 0.5823091586537146
Energy: 0.6287349914626376
Energy: 0.5912248938231167
Energy: 0.5657709446195214
Energy: 0.6298390280948185

minimum gb energy = 0.488643981811291 eV
minimum distance =  2.60338024489138 Angstroms
sigma value = 11


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

Energy: 0.7931888870419169
Energy: 0.5673976031780625
Energy: 0.5812245177549642
Energy: 0.7944137085676939
Energy: 0.5671474001183263
Energy: 0.5794580835759756
Energy: 0.6068159217719923
Energy: 0.5425675445975995
Energy: 0.5404659713568812
Energy: 0.6069289444099474
Energy: 0.5425251701729337
Energy: 0.5567966961271279
Energy: 0.6062747791326464
Energy: 0.5566886120665172
Energy: 0.5562035657593339
Energy: 0.6070311407712445
Energy: 0.5399838383452488
Energy: 0.6139863351742602
Energy: 0.5732675158595139
Energy: 0.5439593166891845
Energy: 0.5582117954676663
Energy: 0.5739877895495157
Energy: 0.5281820841792567
Energy: 0.5903893889407702
Energy: 0.5779727248834913
Energy: 0.5426883784382311
Energy: 0.5424390202274545
Energy: 0.5776259831514213
Energy: 0.5428932471918756
Energy: 0.556190352866605
Energy: 0.6135541308821838
Energy: 0.5695687277528382
Energy: 0.5583914734267738
Energy: 0.5775572150469238
Energy: 0.5690319146809967
Energy: 0.6071013180846514
Energy: 0.5691681783325805
Energy: 0.5848923399480874
Energy: 0.5978744004836284
Energy: 0.5691647161522365
Energy: 0.5808466181344769
Energy: 0.5694142443834446
Energy: 0.5427240958449167
Energy: 0.5781636850584657
Energy: 0.5736431449305862
Energy: 0.5427833821284211
Energy: 0.5780642340467792
Energy: 0.5426061742230258
Energy: 0.5373285208139186
Energy: 0.6067881370754395
Energy: 0.5974805674323375
Energy: 0.5373085138443043
Energy: 0.572694174583816
Energy: 0.5300412367735222
Energy: 0.5471687249025623
Energy: 0.6058970721156949
Energy: 0.6063570962595772
Energy: 0.5472528806162538
Energy: 0.6073628162662499
Energy: 0.5302322473928056
Energy: 0.5431232243170118
Energy: 0.5709494206835113
Energy: 0.5567007987429086
Energy: 0.542984965864034
Energy: 0.5704081946666945
Energy: 0.5426401625057136
Energy: 0.5522672797415106
Energy: 0.555478558299705
Energy: 0.5721886461274885
Energy: 0.550999751274569
Energy: 0.7550076784169275
Energy: 0.5933660690775485
Energy: 0.5405487375659742
Energy: 0.5817868738739166
Energy: 0.5888202811648688
Energy: 0.5406854713432344
Energy: 0.6071513737101887
Energy: 0.5564761071917187
Energy: 0.5549895249489882
Energy: 0.6059934642574911
Energy: 0.606346652717165
Energy: 0.5582319742834506
Energy: 0.6060254612803495
Energy: 0.5731214083518258
Energy: 0.5287372810573943
Energy: 0.5742500575630332
Energy: 0.5740203885848671
Energy: 0.5287941855308046
Energy: 0.5779078196940821
Energy: 0.5726615727893235
Energy: 0.5296091495186491
Energy: 0.5897419110141661
Energy: 0.5717949925047543
Energy: 0.5296972933349353
Energy: 0.5792029760201538
Energy: 0.528639295954707
Energy: 0.5292119534341949
Energy: 0.578806561457776
Energy: 0.6099569741150227
Energy: 0.5290527898738911
Energy: 0.5817678832757424
Energy: 0.609923391783591
Energy: 0.6488553233552267
Energy: 0.5709106935506256
Energy: 0.5709164107955718
Energy: 0.6494934786276992
Energy: 0.5521046423313739
Energy: 0.562236692919692
Energy: 0.5607165138266551
Energy: 0.570851753518799
Energy: 0.5570147855290992
Energy: 0.5606653555637152
Energy: 0.5715300218487949
Energy: 0.5888711109674616
Energy: 0.5753198355348749
Energy: 0.529158948387181
Energy: 0.5505085098479854
Energy: 0.5755618851409098
Energy: 0.543291750136702
Energy: 0.5875030107696975
Energy: 0.5709171865640661
Energy: 0.5296260397646596
Energy: 0.5624505112625933
Energy: 0.5716555999025265
Energy: 0.5294340570326459
Energy: 0.5713164961152009
Energy: 0.5415617771166572
Energy: 0.5711918681106463
Energy: 0.5708501696640966
Energy: 0.5416217853699259
Energy: 0.5725734179401031
Energy: 0.559353157166018
Energy: 0.5399271546451687
Energy: 0.5711922198604583
Energy: 0.6053826901146684
Energy: 0.5397905974399256
Energy: 0.5759057549851886
Energy: 0.5725785503698996
Energy: 0.5708754093825611
Energy: 0.556648075520124
Energy: 0.5847521670836489
Energy: 0.5711215540585408
Energy: 0.5564911053871487
Energy: 0.5831043148545162
Energy: 0.5710227956566394
Energy: 0.5816447526209771
Energy: 0.564019866749847
Energy: 0.5710493995552894
Energy: 0.5734953548144481
Energy: 0.5627322779947146
Energy: 0.5786722861472674
Energy: 0.5292558891959684
Energy: 0.6101300925600429
Energy: 0.5798196571536882
Energy: 0.5291975823151968
Energy: 0.6100194192416112
Energy: 0.5782477098810608
Energy: 0.5290610960249379
Energy: 0.5288107192564401
Energy: 0.5781748367950852
Energy: 0.5304426594542792
Energy: 0.5290036842333353
Energy: 0.5781184384158118
Energy: 0.5291133910334646
Energy: 0.5784695216201967
Energy: 0.5792394467809567
Energy: 0.5287467013809761
Energy: 0.5729936326311205
Energy: 0.6058978755765625
Energy: 0.5817231464723471
Energy: 0.5774792587053756
Energy: 0.6060764352111485
Energy: 0.5680379274504169
Energy: 0.5769175586138011
Energy: 0.6065526791007767
Energy: 0.5406708961547688
Energy: 0.5564049087655077
Energy: 0.6067434384625966
Energy: 0.5407804480042601
Energy: 0.5875269224704424
Energy: 0.5302153130566043
Energy: 0.5426613104907805
Energy: 0.5867162984004726
Energy: 0.5299809669910688
Energy: 0.5511507612976837
Energy: 0.594045336705402

minimum gb energy = 0.5281820841792567 eV
minimum distance =  2.55101794501534 Angstroms
sigma value = 57


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

Energy: 0.731724397575747
Energy: 0.5106875895337253
Energy: 0.5145075410787232
Energy: 0.7328103161066697
Energy: 0.5105682296206725
Energy: 0.5152901761391635
Energy: 0.5341872871344919
Energy: 0.5343324616818929
Energy: 0.5113160993389212
Energy: 0.5342515502729676
Energy: 0.5341041823186349
Energy: 0.5101647712378619
Energy: 0.5341171181894917
Energy: 0.5076231008237292
Energy: 0.528055507307619
Energy: 0.5348397376059137
Energy: 0.5156887271862021
Energy: 0.5113130903749925
Energy: 0.5108981274264004
Energy: 0.5114711351016309
Energy: 0.5146098952893985
Energy: 0.5115970217036799
Energy: 0.5160252203122738
Energy: 0.5116577693378618
Energy: 0.5213427916910811
Energy: 0.5336573931908947
Energy: 0.5115887594535751
Energy: 0.5205113191649005
Energy: 0.5357238834485059
Energy: 0.510764844788598
Energy: 0.5203972096888351
Energy: 0.5230279788460563
Energy: 0.5211538690174691
Energy: 0.520242488039609
Energy: 0.5229439121471301
Energy: 0.5365024291444573
Energy: 0.5124495017594711
Energy: 0.5142219045650389
Energy: 0.5202288324533134
Energy: 0.5107809483965009
Energy: 0.5142013000680529
Energy: 0.5117067621619314
Energy: 0.535844964063952
Energy: 0.5200603080635939
Energy: 0.5107090513425933
Energy: 0.5367453426500037
Energy: 0.5214556342959513
Energy: 0.5110159266556129
Energy: 0.49852745356734796
Energy: 0.5115448703633975
Energy: 0.5142532509195622
Energy: 0.4985033360585727
Energy: 0.5137705877779181
Energy: 0.5141564626632519
Energy: 0.49836052850833173
Energy: 0.5343116819452384
Energy: 0.5143997181765225
Energy: 0.49831115768204765
Energy: 0.5353237992665215
Energy: 0.5141866287364439
Energy: 0.5356424690853779
Energy: 0.521387094218896
Energy: 0.5144435518121153
Energy: 0.5365148580089455
Energy: 0.533992419937198
Energy: 0.5109600570468396
Energy: 0.5116989288603284
Energy: 0.6247642536928306
Energy: 0.5376646589017808
Energy: 0.5117746961353058
Energy: 0.6238620710864763
Energy: 0.5112978440209993
Energy: 0.5145787840592824
Energy: 0.5344572170415705
Energy: 0.5109906340300545
Energy: 0.5102034426723574
Energy: 0.5337768607430364
Energy: 0.5108441333592543
Energy: 0.6288767933976188
Energy: 0.5346358409744852
Energy: 0.5349096353512384
Energy: 0.6299004510825061
Energy: 0.5355152827973328
Energy: 0.5125941954285983
Energy: 0.5212536009084704
Energy: 0.5140947725442078
Energy: 0.5107425155003468
Energy: 0.5206021478967224
Energy: 0.5166659153297846
Energy: 0.5314840624051077
Energy: 0.5341528546159526
Energy: 0.5143101423026569
Energy: 0.5136671298959229
Energy: 0.5349512166270757
Energy: 0.5165218981806114
Energy: 0.5123266531712669
Energy: 0.49844174390888996
Energy: 0.5101671500242577
Energy: 0.5111847752668979
Energy: 0.4983793895585902
Energy: 0.5128983171743204
Energy: 0.5230056242776546

minimum gb energy = 0.49831115768204765 eV
minimum distance =  2.60134399319112 Angstroms
sigma value = 9


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

Energy: 0.8449378627490931
Energy: 0.5807174668398405
Energy: 0.5709840075964656
Energy: 0.5684455475840435
Energy: 0.5803561123789162
Energy: 0.56912598791059
Energy: 0.5868237893094668
Energy: 0.5722384379670732
Energy: 0.575807424797635
Energy: 0.5868443042829348
Energy: 0.570220945807817
Energy: 0.5638198267959766
Energy: 0.5899945966252009
Energy: 0.5673861637145327
Energy: 0.5697160560832912
Energy: 0.5882684558716477
Energy: 0.6198067826716295
Energy: 0.5658493688509314
Energy: 0.5615597004949627
Energy: 0.5639188967751863
Energy: 0.562769368957024
Energy: 0.5621430981567398
Energy: 0.5684893245520407
Energy: 0.5626649338707073
Energy: 0.5733154982732009
Energy: 0.5682589393498918
Energy: 0.5626515290466039
Energy: 0.5722147164819587
Energy: 0.5692131121448678
Energy: 0.5697649282707307
Energy: 0.5598536672577658
Energy: 0.5650187195040837
Energy: 0.560730162135212
Energy: 0.5607907677562026
Energy: 0.5624075771898152
Energy: 0.5602277541960613
Energy: 0.5617045937090139
Energy: 0.6106179711958235
Energy: 0.5632935512783187
Energy: 0.5618879937950403
Energy: 0.6628956410377037
Energy: 0.5612929785665626
Energy: 0.5598068751281295
Energy: 0.5631515355617911
Energy: 0.5608793106214117
Energy: 0.5607256989816581
Energy: 0.5514303436713341
Energy: 0.5610987900394231
Energy: 0.5677753909706831
Energy: 0.5599638707240265
Energy: 0.5659343270521527
Energy: 0.5677608379933824
Energy: 0.5597986336137273
Energy: 0.569465047500723
Energy: 0.5673546930556673
Energy: 0.5605926338691768
Energy: 0.5723761515569048
Energy: 0.5694765943836715
Energy: 0.5599463163324133
Energy: 0.5634346536736389
Energy: 0.5602459571586276
Energy: 0.562273409527908
Energy: 0.5601467725952531
Energy: 0.5608202465673994
Energy: 0.5632399820477738
Energy: 0.561837183797375
Energy: 0.5694980511543478
Energy: 0.5733537232355136
Energy: 0.5709628387577839
Energy: 0.5704653880847741
Energy: 0.5716807325384916
Energy: 0.5763131627827306
Energy: 0.6649422983155354
Energy: 0.5597023548917238
Energy: 0.5635909685057389
Energy: 0.6649572646940365
Energy: 0.5607299210133708
Energy: 0.5592839907875411
Energy: 0.585201336252257
Energy: 0.5810294019668558
Energy: 0.5680750309473697
Energy: 0.5853075132568454
Energy: 0.587047662078354
Energy: 0.5626251106630855
Energy: 0.5685347136438874
Energy: 0.560059811819506
Energy: 0.5607676289861794
Energy: 0.5694791121870388
Energy: 0.560314156835175
Energy: 0.5681345837395856
Energy: 0.5738245088495656
Energy: 0.5627550402325855
Energy: 0.559319309264746
Energy: 0.5671216148535666
Energy: 0.5817229269520604
Energy: 0.5590759467756327
Energy: 0.5732244096054189
Energy: 0.573405871815279
Energy: 0.5631672117183709
Energy: 0.5736636151635484
Energy: 0.5882051713125517
Energy: 0.5630374654006665
Energy: 0.6221347332891944
Energy: 0.5713186916135639
Energy: 0.5672627825134366
Energy: 0.6201653598587684
Energy: 0.5684734872140551
Energy: 0.574638676399718
Energy: 0.5710767691663075
Energy: 0.5644645012493072
Energy: 0.5637641873053199
Energy: 0.5715419136071016
Energy: 0.5783815758093371
Energy: 0.5638206534031626
Energy: 0.5865804071687872
Energy: 0.5717530593122742
Energy: 0.563426823544619
Energy: 0.5870971160254159
Energy: 0.5839778306183968
Energy: 0.5633660570720157
Energy: 0.55067174911027
Energy: 0.5765804963991694
Energy: 0.5741189192608651
Energy: 0.5506522011030528
Energy: 0.5694869472026162
Energy: 0.5744860680113324

minimum gb energy = 0.5506522011030528 eV
minimum distance =  2.56981061474983 Angstroms
sigma value = 27


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

Energy: 0.7589011076813987
Energy: 0.6103636475547072
Energy: 0.5735935205253635
Energy: 0.7059866560396507
Energy: 0.7837869921171987
Energy: 0.5933825664135631
Energy: 0.6596470963694279
Energy: 0.6216116624542606
Energy: 0.6161654393997557
Energy: 0.6100144295847393
Energy: 0.6263497660099685
Energy: 0.6363699097167749
Energy: 0.6205978082598265
Energy: 0.6212730355626791
Energy: 0.6125542430985501
Energy: 0.5678685338338719
Energy: 0.5633960334823205
Energy: 0.639100970260069
Energy: 0.6180961903923222
Energy: 0.6249383764518033
Energy: 0.6213474175318726
Energy: 0.6037329520370943
Energy: 0.668668862045267
Energy: 0.6149424429762682
Energy: 0.5646599988675193
Energy: 0.6130656007829889
Energy: 0.6210539114200497
Energy: 0.5653018380509942
Energy: 0.6195129200720777
Energy: 0.6309100060054567
Energy: 0.6205776458213927
Energy: 0.5958488879439702
Energy: 0.6249320434621634
Energy: 0.6104050333345483
Energy: 0.6349330158364839
Energy: 0.6325134472151719
Energy: 0.6312918136549582
Energy: 0.5920634477812982
Energy: 0.5909355883513335
Energy: 0.6199520076009849
Energy: 0.5939058371724841
Energy: 0.5803287657830655
Energy: 0.6194381833035915
Energy: 0.5963256484920306
Energy: 0.6184506215496867
Energy: 0.6197598180141614
Energy: 0.5722868850850438
Energy: 0.6095965764713482
Energy: 0.6219458859369796
Energy: 0.6092330738396468
Energy: 0.6142982086333175
Energy: 0.6104679371773385
Energy: 0.6095391718523556
Energy: 0.6010369267805351
Energy: 0.6247388929714404
Energy: 0.5879733454034345
Energy: 0.5893643965881656
Energy: 0.6203227187490162
Energy: 0.5882839079598543
Energy: 0.6082650039335494
Energy: 0.6274403504026786
Energy: 0.601893227565077
Energy: 0.609349487183741
Energy: 0.6313646246050142
Energy: 0.5632271215703216
Energy: 0.609374628081486
Energy: 0.5901855136129557
Energy: 0.563998911411895
Energy: 0.5788527653942777
Energy: 0.5911493011273298
Energy: 0.5636650203049928
Energy: 0.5960135706645786
Energy: 0.6248509668006668
Energy: 0.5931932765729241
Energy: 0.5895356247928376
Energy: 0.6261168070794155
Energy: 0.5993379967247429
Energy: 0.590860091718509
Energy: 0.6090544570752585
Energy: 0.6016972942521719
Energy: 0.601734338980849
Energy: 0.6095965970333069
Energy: 0.6147815551108688
Energy: 0.6025240930555193
Energy: 0.5902877788533026
Energy: 0.5783097604803366
Energy: 0.576925623123523
Energy: 0.58987545922298
Energy: 0.5850879930518726
Energy: 0.5766528744575914
Energy: 0.610095206390654
Energy: 0.5920224111297575
Energy: 0.5998135455742067
Energy: 0.6059415413089577
Energy: 0.591882776116373
Energy: 0.6002836748296129
Energy: 0.565112556918511
Energy: 0.5956949167296727
Energy: 0.5962543374480023
Energy: 0.565760119806607
Energy: 0.6086964639753332
Energy: 0.595872013358602
Energy: 0.5946508988221529
Energy: 0.612058165349083
Energy: 0.6144944852293485
Energy: 0.5969875265281324
Energy: 0.6092763265622251
Energy: 0.5981675037140717
Energy: 0.6022688901839389
Energy: 0.5940307697183864
Energy: 0.5957012316018538
Energy: 0.602761267001182
Energy: 0.5861708132376796
Energy: 0.5926632331602146
Energy: 0.6371065533219087
Energy: 0.5918237672547407
Energy: 0.5957008640696997
Energy: 0.622981947585459
Energy: 0.5869293819430318
Energy: 0.579937473603827
Energy: 0.6387621397114192
Energy: 0.6217074168011922
Energy: 0.6233237103364391
Energy: 0.6404809642327545
Energy: 0.610124161875935
Energy: 0.6243648200047727
Energy: 0.5618554157352096
Energy: 0.6169019279110397
Energy: 0.6539367373429908
Energy: 0.5626094790885764
Energy: 0.6142328656160042
Energy: 0.5909543208774005
Energy: 0.6359998320460328
Energy: 0.6187696591586099
Energy: 0.62220779711171
Energy: 0.6395830560264415
Energy: 0.619035209598157
Energy: 0.6184940942902842
Energy: 0.6582334727402416
Energy: 0.6147534385097094
Energy: 0.5692969418903192
Energy: 0.6075187228724616
Energy: 0.601419230116425
Energy: 0.6218936093865983
Energy: 0.5943330959744807
Energy: 0.6080213982422793
Energy: 0.6187415763993641
Energy: 0.5656085485931461
Energy: 0.6061783357585961
Energy: 0.5954624504364926

minimum gb energy = 0.5618554157352096 eV
minimum distance =  2.51873815648074 Angstroms
sigma value = 19


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

Energy: 0.8054625269738396
Energy: 0.6302751110099796
Energy: 0.6080009425309593
Energy: 0.595612023160299
Energy: 0.630065052379283
Energy: 0.606796312974008
Energy: 0.6297688597417891
Energy: 0.574344207385683
Energy: 0.5731248736712292
Energy: 0.6291216098295696
Energy: 0.5741286404679106
Energy: 0.5865344720510687
Energy: 0.5771287729109807
Energy: 0.5408338201896385
Energy: 0.5407797142943213
Energy: 0.5771759260363324
Energy: 0.5410326600771768
Energy: 0.590278096040574
Energy: 0.5732614093184187
Energy: 0.5865677894625675
Energy: 0.5871053640733094
Energy: 0.5725898120217101
Energy: 0.5746261189727415
Energy: 0.5866876815996095
Energy: 0.5475240206983936
Energy: 0.5773223367817306
Energy: 0.5770227226135392
Energy: 0.5486128717445701
Energy: 0.5773295549303991
Energy: 0.5407532103981749
Energy: 0.5730860958431987
Energy: 0.5881771067109514
Energy: 0.5872910730983647
Energy: 0.5734601345173942
Energy: 0.6013809532795857
Energy: 0.5872683762446802
Energy: 0.5695197546586814
Energy: 0.5751479617782919
Energy: 0.5887168028120287
Energy: 0.5694997431316734
Energy: 0.5667854079113783
Energy: 0.566018230261523
Energy: 0.5732447670267442
Energy: 0.5820603510412962
Energy: 0.5867170564750893
Energy: 0.573986549133914
Energy: 0.5750781281324658
Energy: 0.574866417653646
Energy: 0.54106054547834
Energy: 0.5774339406340595
Energy: 0.5810745494088111
Energy: 0.5409858133494484
Energy: 0.5773348965913379
Energy: 0.5860533626660267
Energy: 0.5405479310962826
Energy: 0.5735846871200482
Energy: 0.5829205030694294
Energy: 0.5406651002439417
Energy: 0.573890349158658
Energy: 0.5839703942825759
Energy: 0.5670619748145328
Energy: 0.5315369012888067
Energy: 0.5316223862922246
Energy: 0.5670720887839554
Energy: 0.5338074660197775
Energy: 0.5715998063799584
Energy: 0.5917610819882372
Energy: 0.5742772034378425
Energy: 0.5837246853660244
Energy: 0.5927711543891584
Energy: 0.565454993634747
Energy: 0.5815363791842054
Energy: 0.649799408563174
Energy: 0.5772703528002003
Energy: 0.5686661644136686
Energy: 0.5496456556787754
Energy: 0.5773196617394901
Energy: 0.5687829758210786
Energy: 0.5731828219840629
Energy: 0.572299784930906
Energy: 0.5735988346420897
Energy: 0.5732099630054055
Energy: 0.571617949707553
Energy: 0.5747154130667108
Energy: 0.5771323576107713
Energy: 0.5312555203811001
Energy: 0.5682619822968579
Energy: 0.5771480418735081
Energy: 0.5309571811183115
Energy: 0.5695673461303482
Energy: 0.5772570185613946
Energy: 0.5433117153821225
Energy: 0.578441867491411
Energy: 0.5782990673718815
Energy: 0.5313348100430068
Energy: 0.5761072647882276
Energy: 0.6653949307770564
Energy: 0.5648467308073112
Energy: 0.5658329938661238
Energy: 0.5326043015111257
Energy: 0.5647092313540538
Energy: 0.5688578369463639
Energy: 0.5833372105284188
Energy: 0.5701158211614333
Energy: 0.5707588670814744
Energy: 0.5838540454737959
Energy: 0.5776896435867142
Energy: 0.5721980044690727
Energy: 0.5776562985258957
Energy: 0.5296346295802191
Energy: 0.5753367431328087
Energy: 0.5776037595380186
Energy: 0.5300931625826057
Energy: 0.5697081298282488
Energy: 0.5656181356097923
Energy: 0.5640184106064031
Energy: 0.5781855053056668
Energy: 0.5662989700179479
Energy: 0.5304908986464104
Energy: 0.5698073637099212
Energy: 0.5348321324745784
Energy: 0.5768011642357875
Energy: 0.5706024160803715
Energy: 0.5355362087249904
Energy: 0.5774147616849236
Energy: 0.5749666649550159
Energy: 0.5426998757848492
Energy: 0.5849356016054282
Energy: 0.5799539215809036
Energy: 0.5429571502899453
Energy: 0.5937499664603266
Energy: 0.5765995889686608
Energy: 0.5700342964846408
Energy: 0.527476798597969
Energy: 0.5714489418238504
Energy: 0.570124364611191
Energy: 0.5273875851318941
Energy: 0.5679846957599632
Energy: 0.5734619459602214
Energy: 0.5620192705111017
Energy: 0.5701403658032227
Energy: 0.5734654065825565
Energy: 0.5274371889804508
Energy: 0.5683003650239383
Energy: 0.5834129006377844
Energy: 0.5783196603593447
Energy: 0.5794485155130333
Energy: 0.586751765981001
Energy: 0.5922053108165848
Energy: 0.5790997280052751
Energy: 0.5622624271983565
Energy: 0.5670527678998833
Energy: 0.5704798288049707
Energy: 0.539466091128182
Energy: 0.5671463398612142
Energy: 0.5747768401566918
Energy: 0.5737736528572649
Energy: 0.5412414144362375
Energy: 0.5901586963440806
Energy: 0.5748276898353554
Energy: 0.5404490841514029
Energy: 0.5742452348748185
Energy: 0.5741030516233869
Energy: 0.5405051182324394
Energy: 0.5818852416008929
Energy: 0.5739398262188983
Energy: 0.55647590213875
Energy: 0.5827713156098682
Energy: 0.5947306815085448
Energy: 0.5729009848832319
Energy: 0.574447844050013
Energy: 0.5657045335845959
Energy: 0.5727898862786484
Energy: 0.5683666175211673

minimum gb energy = 0.5273875851318941 eV
minimum distance =  2.55912790921851 Angstroms
sigma value = 101


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

Energy: 0.7618274418307692
Energy: 0.5443447235697441
Energy: 0.5871329894326294
Energy: 0.7629313948395753
Energy: 0.5442598436404481
Energy: 0.4992014397507457
Energy: 0.6231248797779884
Energy: 0.5680315541435368
Energy: 0.57400288331836
Energy: 0.5867719809056583
Energy: 0.5634795426201861
Energy: 0.5720527646691329
Energy: 0.572100463721912
Energy: 0.5102428794874025
Energy: 0.5101524323216807
Energy: 0.5720519819606595
Energy: 0.5113423483700293
Energy: 0.5567416146906833
Energy: 0.562832359973307
Energy: 0.5728551844481468
Energy: 0.5732109878932107
Energy: 0.5635606378691801
Energy: 0.5657379572558889
Energy: 0.5726298818755368
Energy: 0.5184416290371422
Energy: 0.5724615177831497
Energy: 0.5703270884388504
Energy: 0.5197853787142515
Energy: 0.5731429711174639
Energy: 0.5180885834916309
Energy: 0.5426455691097686
Energy: 0.5724737955717145
Energy: 0.5725556113025423
Energy: 0.5428449091542124
Energy: 0.5865125352703778
Energy: 0.5733749242110503
Energy: 0.5695901318903392
Energy: 0.5448833611350369
Energy: 0.5229219953530532
Energy: 0.5697706638708452
Energy: 0.5439666673606876
Energy: 0.5339073561704843
Energy: 0.5622646364556046
Energy: 0.5719926865889643
Energy: 0.5726827721172756
Energy: 0.5629543999796646
Energy: 0.5657614988654941
Energy: 0.56359606457492
Energy: 0.5111649875752198
Energy: 0.5717991111281925
Energy: 0.5439788655279465
Energy: 0.5118514660655119
Energy: 0.5719474650368318
Energy: 0.5100674573392642
Energy: 0.5103558171616177
Energy: 0.5730416011488259
Energy: 0.5755506069136688
Energy: 0.5101803444967927
Energy: 0.573656094585168
Energy: 0.575959885595569
Energy: 0.5623049638265775
Energy: 0.4976938260715743
Energy: 0.4976822341069214
Energy: 0.5623312674863887
Energy: 0.5004630150722347
Energy: 0.5587537633152599
Energy: 0.5720902711936332
Energy: 0.5752005442539345
Energy: 0.5769457765939769
Energy: 0.5729081507604937
Energy: 0.5513649528321676
Energy: 0.5744816406870932
Energy: 0.6139376564508923
Energy: 0.5719775033372149
Energy: 0.5727538039953812
Energy: 0.6150989587821475
Energy: 0.573073725425104
Energy: 0.5701964254414036
Energy: 0.5454915459978048
Energy: 0.5623731698083795
Energy: 0.5720044139828463
Energy: 0.5771626865656461
Energy: 0.5634987486281346
Energy: 0.5705496739445053
Energy: 0.5721083108521333
Energy: 0.5107671836683564
Energy: 0.5098281460187433
Energy: 0.57291128418495
Energy: 0.5116781073083863
Energy: 0.5663547015729108
Energy: 0.5861731035165482
Energy: 0.5219473076657445
Energy: 0.5626764225220118
Energy: 0.5860418130466543
Energy: 0.5113435427045439
Energy: 0.5733263131095366
Energy: 0.7023178631942222
Energy: 0.5631337250032099
Energy: 0.5658343611658014
Energy: 0.7018907185165376
Energy: 0.5623952636362116
Energy: 0.5427547376676632
Energy: 0.5775384882037349
Energy: 0.5624143388764794
Energy: 0.5658835369067126
Energy: 0.5774436422118063
Energy: 0.5623253645325919
Energy: 0.5727194490236188
Energy: 0.5722415100652045
Energy: 0.5098831074610951
Energy: 0.5099302372833053
Energy: 0.5722346662942182
Energy: 0.5098933926637592
Energy: 0.5634374386030822
Energy: 0.5617748417496772
Energy: 0.5095882228215242
Energy: 0.5728273972628707
Energy: 0.5625869387618122
Energy: 0.5098548550131815
Energy: 0.5738833525066683
Energy: 0.5200344515572795
Energy: 0.5626103526747837
Energy: 0.5656001562956722
Energy: 0.5211377159304018
Energy: 0.5623207297573715
Energy: 0.5186648080758969
Energy: 0.5401140272561715
Energy: 0.574555131074398
Energy: 0.5740941689236082
Energy: 0.5411039133909307
Energy: 0.587355367142787
Energy: 0.5726385795609645
Energy: 0.5626481702211507
Energy: 0.546261444164316
Energy: 0.5464149419312115
Energy: 0.5625097652671591
Energy: 0.5479337097652494
Energy: 0.5664495794257973
Energy: 0.563147853047114
Energy: 0.5728329640780443
Energy: 0.5704099491034021
Energy: 0.5624147863500426
Energy: 0.5475525854221746
Energy: 0.566107054793001
Energy: 0.5239700734047247
Energy: 0.58275832586305
Energy: 0.5738637158433195
Energy: 0.5144920337341055
Energy: 0.5863665220632822
Energy: 0.5651016164333835
Energy: 0.5110542406682634
Energy: 0.5709525695703015
Energy: 0.5725004179261549
Energy: 0.5116678369543272
Energy: 0.5741633262497942
Energy: 0.57582894627174
Energy: 0.5635763146478335
Energy: 0.4973550063159305
Energy: 0.5681023591668023
Energy: 0.5622365981641457
Energy: 0.5008262786113116
Energy: 0.5666384720506157
Energy: 0.5743771903931468
Energy: 0.4978670298518329
Energy: 0.5694301434015222
Energy: 0.5723674365136971
Energy: 0.4974655462699521
Energy: 0.5698380620637782
Energy: 0.5471552409937462
Energy: 0.5723734904549674
Energy: 0.5708644259253987
Energy: 0.5082084595493188
Energy: 0.572141809239322
Energy: 0.5701675890822625
Energy: 0.5462138433101515
Energy: 0.5618060349031087
Energy: 0.5638752903425421
Energy: 0.5084513380721835
Energy: 0.5631818146080653
Energy: 0.570243091630416
Energy: 0.573314867769585
Energy: 0.5098460487758609
Energy: 0.5107944112965314
Energy: 0.5742663612929284
Energy: 0.5097751292310324
Energy: 0.5742052698634104
Energy: 0.5875711792550545
Energy: 0.5215995101266557
Energy: 0.5432781219858238
Energy: 0.5876122168419964
Energy: 0.5221633792730317
Energy: 0.5652631476915437
Energy: 0.570191473409401
Energy: 0.5623504459968297
Energy: 0.5678833792210239
Energy: 0.496789551026301
Energy: 0.5622505198773992
Energy: 0.5709535866366477

minimum gb energy = 0.496789551026301 eV
minimum distance =  2.56891968166788 Angstroms
sigma value = 33


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

Energy: 0.01171330665246296
Energy: 0.5235768866823699
Energy: 0.01297084589331673
Energy: 0.013135544777346169
Energy: 0.5208699253600947
Energy: 0.012148259575158159
Energy: 0.23912072992717334
Energy: 0.06347453154388095
Energy: 0.062067317781687184
Energy: 0.061529222789193025
Energy: 0.06149750929102811
Energy: 0.061845829248729625
Energy: 0.6956771768538501
Energy: 0.5229574824367265
Energy: 0.521112171958536
Energy: 0.5210051262428919
Energy: 0.5207719136611497
Energy: 0.5210590695018676
Energy: 0.013589696023899409
Energy: 0.06347453154388095
Energy: 0.062067317781687184
Energy: 0.061529222789193025
Energy: 0.06149750929033922
Energy: 0.061845829248729625

minimum gb energy = 0.01171330665246296 eV
minimum distance =  2.82305305922786 Angstroms
sigma value = 1