Model name: model_name=MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.167413122951984
cohesive_energy=6.817913822056273
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01717562499652876
Energy: 0.017618917607388387
Energy: 3.4654055815498324
Energy: 0.017618917606616772
Energy: 0.017618917607388387
Energy: 0.018326560605100815
Energy: 1.44161513582236
Energy: 0.018326560605100815
Energy: 3.4654055815498324
Energy: 1.44161513582236
Energy: 1.4415516507248185
Energy: 1.4416151358215883
Energy: 0.017618917607388387
Energy: 0.018326560605100815
Energy: 1.44161513582236
Energy: 0.018326560605100815

minimum gb energy = 0.01717562499652876 eV
minimum distance =  2.73536019903233 Angstroms
sigma value = 1


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

Energy: 2.2094098867485723
Energy: 2.0028144920638478
Energy: 1.733938806699949
Energy: 2.002814492062857
Energy: 2.4608531570511643
Energy: 1.828732843594439
Energy: 1.5511635106116013
Energy: 1.8287328435904757
Energy: 2.5686994016062936
Energy: 1.5510646177094662
Energy: 1.5186514887858056
Energy: 1.5510646177094662
Energy: 2.16199824458516
Energy: 1.8989912893636178
Energy: 1.551136417586444
Energy: 1.898991289360645
Energy: 2.157712758245307
Energy: 1.8943089557070643
Energy: 2.216772467258581
Energy: 1.8943089557100368
Energy: 2.42465005204791
Energy: 1.5082687951599119
Energy: 1.5065081775027742
Energy: 1.50826879515793
Energy: 1.8583651778997423
Energy: 1.901141737439195
Energy: 1.5064854195288344
Energy: 1.9011417374421675
Energy: 1.5226900708412021
Energy: 1.5080318686678633
Energy: 2.217223013260447
Energy: 1.5080318686678633
Energy: 1.8372983617482663
Energy: 1.8179749499076276
Energy: 2.16777660841697
Energy: 1.8179749499036644
Energy: 2.48960256105938
Energy: 1.507902284692312
Energy: 1.813879490414336
Energy: 1.5079022846933026
Energy: 1.5160332150909277
Energy: 1.9081996558041152
Energy: 2.1669102701363108
Energy: 1.9081996558041152
Energy: 1.5160042461669891
Energy: 1.5162614694986596
Energy: 3.0215417250707572
Energy: 1.516261469504605
Energy: 1.9054400070407276
Energy: 1.9210423769810454
Energy: 2.1700583716760664
Energy: 1.9210423769800544
Energy: 1.548268305193843
Energy: 1.9145357659311872
Energy: 2.1706504065711876
Energy: 1.9145357659331688
Energy: 1.5481018479395794
Energy: 1.7169900296436797
Energy: 2.4287677370036533
Energy: 1.7169900296456615
Energy: 1.548101795058617
Energy: 1.7174652348351243
Energy: 2.4347464575559004
Energy: 1.7174652348371062
Energy: 1.5482466363633742
Energy: 1.9144983243450773
Energy: 2.1701846900217614
Energy: 1.914498324340123
Energy: 1.9053984865195244
Energy: 1.9084731358951603
Energy: 2.179631671713074
Energy: 1.9084731358941696
Energy: 1.5096078871093073
Energy: 1.5163405665821297
Energy: 3.0517259545892084
Energy: 1.5163405665821297
Energy: 1.5161365476485318
Energy: 1.9089168139968966
Energy: 1.8135484267086024
Energy: 1.9089168139978874
Energy: 2.4895472869094557
Energy: 1.5069967811815463
Energy: 1.8166885778835837
Energy: 1.5069967811845189
Energy: 1.8375832924091615
Energy: 1.6256713663234066
Energy: 2.167242158514225
Energy: 1.6256713663234066
Energy: 1.8154870937910161
Energy: 1.5064195673270175
Energy: 1.8707808408803794
Energy: 1.50641956732999
Energy: 2.1801739244998606
Energy: 1.5092382914145324
Energy: 1.5065891995835516
Energy: 1.5092382914155233
Energy: 2.424787327385494
Energy: 1.5086326822243348
Energy: 1.5066003512832105
Energy: 1.5086326822233442
Energy: 2.1559608759013034
Energy: 1.8941218359596284
Energy: 2.2170144722079046
Energy: 1.8941218359616099
Energy: 2.159205575599359
Energy: 1.7276022830298632
Energy: 1.5510591658922122
Energy: 1.727602283028872
Energy: 2.718187555047696
Energy: 1.5511011139003057
Energy: 1.5182825571648357
Energy: 1.5511011139052597
Energy: 2.4592757026548453
Energy: 1.8283365481938594
Energy: 1.55145441043758
Energy: 1.8283365481928686
Energy: 2.2084634551840865
Energy: 1.9492358379198522
Energy: 1.551265587802166
Energy: 1.9492358379178707
Energy: 2.457763161290765
Energy: 1.8287146911825554
Energy: 1.5314686279687353
Energy: 1.8287146911835463
Energy: 2.4245403825511627
Energy: 1.513536065606563
Energy: 1.5179561575969878
Energy: 1.5135360656055725
Energy: 2.157799623405056
Energy: 1.8943337376768272
Energy: 1.5511922438109351
Energy: 1.8943337376778182

minimum gb energy = 1.5064195673270175 eV
minimum distance =  2.3996499491622 Angstroms
sigma value = 1


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

Energy: 2.33341608421496
Energy: 2.022368261835007
Energy: 1.7474095307524313
Energy: 2.0223682618338774
Energy: 2.3055708131642363
Energy: 1.9889658312296095
Energy: 1.7026147040369035
Energy: 1.988965831231869
Energy: 2.3069164851776014
Energy: 1.5837446809974403
Energy: 1.583751635537098
Energy: 1.583744680995181
Energy: 1.5699446115966054
Energy: 1.5626873718371372
Energy: 1.7024019872462524
Energy: 1.562687371838267
Energy: 1.5698164000063548
Energy: 1.5628004829834719
Energy: 2.448640859091898
Energy: 1.5628004829834719
Energy: 2.3065914021279235
Energy: 1.5626085247787953
Energy: 1.561995255543472
Energy: 1.5626085247787953
Energy: 1.5625063405427724
Energy: 1.988663274547477
Energy: 1.5620237502172987
Energy: 1.988663274547477
Energy: 1.5619127543664275
Energy: 1.5622977467352628
Energy: 2.448207722875416
Energy: 1.5622977467363928
Energy: 1.5621983538276025
Energy: 1.8029900148462978
Energy: 2.3097497809742564
Energy: 1.802990014845168
Energy: 1.7029635187501053
Energy: 1.5700023338333347
Energy: 1.569926448176132
Energy: 1.5700023338344642
Energy: 1.5836348800163529
Energy: 1.6302328315890366
Energy: 2.309459707627074
Energy: 1.630232831592426
Energy: 1.5836600344397167
Energy: 1.5637819559872161
Energy: 2.9226307044278834
Energy: 1.5637819559872161
Energy: 1.7023237531007207
Energy: 1.9847072102086836
Energy: 2.3124219862876734
Energy: 1.9847072102098133
Energy: 1.7023237531018507
Energy: 1.9847299183535563
Energy: 2.312413347494267
Energy: 1.9847299183546858
Energy: 1.583791534862684
Energy: 1.5638102333621755
Energy: 2.9225209955827474
Energy: 1.5638102333621755
Energy: 1.5836374682506227
Energy: 1.630374636789157
Energy: 2.309449946708513
Energy: 1.630374636789157
Energy: 1.7029635187523648
Energy: 1.5700441219792796
Energy: 1.5699187118150364
Energy: 1.570044121980409
Energy: 1.5621607253708751
Energy: 1.8029347333716264
Energy: 2.3095485068670913
Energy: 1.8029347333704968
Energy: 1.5619151785783632
Energy: 1.562302762424653
Energy: 2.4482077228697676
Energy: 1.5623027624223937
Energy: 1.562756457987085
Energy: 1.988641116906756
Energy: 1.561995807499857
Energy: 1.988641116906756
Energy: 2.306587354487768
Energy: 1.5626211490273365
Energy: 1.562011004521105
Energy: 1.5626211490262067
Energy: 1.569808008653468
Energy: 1.562878237612318
Energy: 2.4486408590851196
Energy: 1.5628782376134478
Energy: 1.5699500750234663
Energy: 1.562926282458204
Energy: 1.7024019872462524
Energy: 1.5629262824559444
Energy: 2.3069533601026877
Energy: 1.5836938072363784
Energy: 1.583750832125702
Energy: 1.5836938072363784
Energy: 2.3057208352866874
Energy: 1.988788786039622
Energy: 1.7026147040369035
Energy: 1.9887887860373625
Energy: 2.33341608421609
Energy: 2.0223682618338774
Energy: 1.7474095347589629
Energy: 2.0223682618338774
Energy: 2.3055708131642363
Energy: 1.988965831231869
Energy: 1.7026147040369035
Energy: 1.9889658312296095
Energy: 2.3069164851764716
Energy: 1.583744680995181
Energy: 1.583751635538228
Energy: 1.5837446809963107
Energy: 1.5699446115977354
Energy: 1.562687371838267
Energy: 1.7024019872462524
Energy: 1.5626873718371372

minimum gb energy = 1.5619127543664275 eV
minimum distance =  2.54642434642204 Angstroms
sigma value = 25


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

Energy: 2.1690410558744952
Energy: 1.824754620659285
Energy: 1.8139947937771972
Energy: 1.8247546206619116
Energy: 2.5258642102935083
Energy: 1.7351028216790498
Energy: 1.7617887404013781
Energy: 1.7351028216829896
Energy: 2.521997408566477
Energy: 1.6833199234812952
Energy: 1.6830629561002384
Energy: 1.6833199234839218
Energy: 2.1036762197464554
Energy: 1.6528624506343608
Energy: 1.7617466366120043
Energy: 1.6528624506356742
Energy: 2.1035582776104653
Energy: 1.6528213612428988
Energy: 2.1504435325294495
Energy: 1.6528213612442124
Energy: 2.5218286430435426
Energy: 1.6608677376516494
Energy: 1.6601202721585187
Energy: 1.6608677376503362
Energy: 1.6825241860355404
Energy: 1.6529866935875672
Energy: 1.6602513013860098
Energy: 1.6529866935927906
Energy: 1.662888691325117
Energy: 1.6826671789026824
Energy: 2.9244313809748292
Energy: 1.6826671789039958
Energy: 1.6826296598290589
Energy: 1.652781237535776
Energy: 2.135216319881496
Energy: 1.652781237535776
Energy: 1.7544188633346418
Energy: 1.6872397492795659
Energy: 2.1094567020391737
Energy: 1.6872397492795659
Energy: 1.713214179973307
Energy: 1.6528013991505763
Energy: 2.496591030985343
Energy: 1.6528013991479498
Energy: 1.7627406578659703
Energy: 1.6827671118513825
Energy: 2.4952592579715356
Energy: 1.6827671118513825
Energy: 1.7542315622762075
Energy: 1.6874182600729304
Energy: 2.111745407619672
Energy: 1.6874182600729304
Energy: 1.683151667478873
Energy: 1.6526882403259835
Energy: 2.109570428469351
Energy: 1.6526882403272967
Energy: 1.6823463982668836
Energy: 1.6829058053217854
Energy: 2.9220946233388383
Energy: 1.6829058053230987
Energy: 1.682531721751649
Energy: 1.6529252627679951
Energy: 1.6602115217471716
Energy: 1.6529252627666817
Energy: 2.9675559006430166
Energy: 1.6606451452694737
Energy: 1.6601042685097074
Energy: 1.6606451452681603
Energy: 2.117704183212889
Energy: 1.6529209018717834
Energy: 2.149968270142683
Energy: 1.6529209018678437
Energy: 1.887324479276544
Energy: 1.6527666471761762
Energy: 1.761806021353801
Energy: 1.6527666471774896
Energy: 2.1276449440686847
Energy: 1.6602809357079222
Energy: 1.6846679292996587
Energy: 1.6602809357066088
Energy: 2.521321246254655
Energy: 1.8459889261385227
Energy: 1.6748328425802539
Energy: 1.8459889261385227
Energy: 2.16971681622127
Energy: 1.6870545132361532
Energy: 1.7617567354338188
Energy: 1.6870545132361532
Energy: 2.525294453542173
Energy: 1.687234552353436
Energy: 1.9042587940845208
Energy: 1.6872345523508094
Energy: 2.6847939327397925
Energy: 1.6831698817387644
Energy: 1.6846436517297778
Energy: 1.6831698817374512
Energy: 2.103579297724939
Energy: 1.6527336766096126
Energy: 1.6832094673029017
Energy: 1.6527336766122391

minimum gb energy = 1.6526882403259835 eV
minimum distance =  2.56680070053074 Angstroms
sigma value = 9


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

Energy: 1.7337826743675075
Energy: 1.7327426527480687
Energy: 1.9683458288966356
Energy: 1.7327426527465022
Energy: 1.732884989092781
Energy: 1.7127581116493742
Energy: 1.7116714913265436
Energy: 1.7127581116493742
Energy: 1.711885295669358
Energy: 1.7700172133837937
Energy: 1.7697599592953601
Energy: 1.7700172133837937
Energy: 1.7115320878379647
Energy: 1.7128602581258308
Energy: 1.7117313690775877
Energy: 1.7128602581258308
Energy: 1.7117015703554002
Energy: 1.7133397615233077
Energy: 1.712426708105392
Energy: 1.7133397615233077
Energy: 3.019769733854868
Energy: 1.712651323896044
Energy: 1.7115890239133316
Energy: 1.712651323896044
Energy: 1.769477940375339
Energy: 1.713285193998233
Energy: 1.7117675097881166
Energy: 1.713285193998233
Energy: 1.7693851239455414
Energy: 1.7703572310116142
Energy: 2.671246595055193
Energy: 1.7703572310100477
Energy: 2.0713127236402946
Energy: 1.7127111526273466
Energy: 1.7330199838222131
Energy: 1.7127111526273466
Energy: 2.0703693405057484
Energy: 1.733069308345575
Energy: 1.7329695846303546
Energy: 1.7330693083471416
Energy: 1.7118771815219012
Energy: 1.799668195917971
Energy: 2.6712983556254906
Energy: 1.799668195916404
Energy: 1.7694173586693023
Energy: 1.8260786926323371
Energy: 1.7124598020522321
Energy: 1.826078692633904
Energy: 2.0706198761514094
Energy: 1.7122204912549523
Energy: 1.7116046710555526
Energy: 1.7122204912564836
Energy: 1.7124629091122825
Energy: 1.8264552061889507
Energy: 1.7123434827235726
Energy: 1.8264552061905173
Energy: 1.711606133995424
Energy: 1.7122250062561784
Energy: 2.0706198761514094
Energy: 1.7122250062561784
Energy: 1.7122602427703504
Energy: 1.8260347371875112
Energy: 1.7694168038329248
Energy: 1.8260347371890777
Energy: 2.6712964558941286
Energy: 1.7996989764666773
Energy: 1.7119651147345998
Energy: 1.7996989764666773
Energy: 1.7329662625257063
Energy: 1.7330643550651255
Energy: 2.0703693405057484
Energy: 1.7330643550651255
Energy: 1.7330531558596036
Energy: 1.7128638414697535
Energy: 2.071312723641861
Energy: 1.7128638414681872
Energy: 2.671128976860265
Energy: 1.770365005647548
Energy: 1.7693845264989265
Energy: 1.7703650056459814
Energy: 1.71172953620089
Energy: 1.7132915245282916
Energy: 1.7694877223299148
Energy: 1.7132915245267246

minimum gb energy = 1.7115320878379647 eV
minimum distance =  2.52432910756195 Angstroms
sigma value = 25


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

Energy: 1.99890926563597
Energy: 1.8996224214420032
Energy: 2.0380889429926343
Energy: 1.8996224214420032
Energy: 2.5985811070673783
Energy: 1.9695305125892884
Energy: 1.9227450393098755
Energy: 1.9695305125912257
Energy: 1.9490962761347828
Energy: 1.9420170945763295
Energy: 1.941147162288549
Energy: 1.9420170945763295
Energy: 1.8991294700847305
Energy: 1.9467888914909344
Energy: 1.9228368464522052
Energy: 1.9467888914889968
Energy: 1.9482949443069768
Energy: 1.8812967215996594
Energy: 2.6394438142580747
Energy: 1.8812967215996594
Energy: 2.612395621944661
Energy: 1.9166011631164201
Energy: 1.9158788786910743
Energy: 1.9166011631164201
Energy: 2.0400393987441054
Energy: 1.9476266197762648
Energy: 1.9159469260388435
Energy: 1.9476266197743273
Energy: 2.143341259925925
Energy: 2.081563022535432
Energy: 2.639851996243444
Energy: 2.081563022535432
Energy: 2.0810249580091087
Energy: 1.9174004745882136
Energy: 1.9158825335463983
Energy: 1.9174004745882136
Energy: 1.9492323359941417
Energy: 1.9176614096271953
Energy: 1.9159261668641494
Energy: 1.9176614096252578
Energy: 1.9069014292302762
Energy: 1.9476404172766524
Energy: 2.5927483154215416
Energy: 1.9476404172785897
Energy: 1.9483072646653856
Energy: 1.9172323061191237
Energy: 1.941805030323346
Energy: 1.9172323061191237
Energy: 2.6179715711201172
Energy: 1.9428719552506009
Energy: 1.9410876954237373
Energy: 1.9428719552486635
Energy: 2.5994542940961614
Energy: 1.9693142814603302
Energy: 2.0988182594885028
Energy: 1.9693142814603302
Energy: 2.598490407913722
Energy: 1.881761926972298
Energy: 2.102445362499331
Energy: 1.881761926972298
Energy: 2.5990940859895946
Energy: 1.9080975975726593
Energy: 1.9236270899535506
Energy: 1.9080975975726593
Energy: 1.948434587064115
Energy: 1.9167495790650937
Energy: 1.941200096805495
Energy: 1.9167495790650937

minimum gb energy = 1.8812967215996594 eV
minimum distance =  2.49386849936505 Angstroms
sigma value = 17


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

Energy: 2.459940166643908
Energy: 2.0083203173990403
Energy: 2.0630996715185708
Energy: 2.0083203173990403
Energy: 2.5471420111664678
Energy: 2.0189875651984877
Energy: 2.010484279081785
Energy: 2.018987565199585
Energy: 2.037038767958116
Energy: 2.0032631649283643
Energy: 1.9893915135920561
Energy: 2.003263164927267
Energy: 1.9842412377994036
Energy: 1.9739380940244353
Energy: 2.01055162369907
Energy: 1.9739380940255327
Energy: 1.977939042094444
Energy: 2.019116708435529
Energy: 2.4120490587997954
Energy: 2.019116708436626
Energy: 2.3522457592798522
Energy: 1.9700887722183145
Energy: 2.0376529515814226
Energy: 1.9700887722183145
Energy: 2.0750952757219236
Energy: 1.9691015670544176
Energy: 2.4120222248498875
Energy: 1.9691015670555148
Energy: 2.0643404301980572
Energy: 1.9747923933117022
Energy: 2.447058190510119
Energy: 1.9747923933117022
Energy: 2.0007605439740948
Energy: 1.9869296307399429
Energy: 1.9838828857567914
Energy: 1.9869296307399429
Energy: 2.4137900753431856
Energy: 2.029126534521486
Energy: 2.005112656991325
Energy: 2.0291265345225833
Energy: 2.011423395651198
Energy: 1.9910541072493257
Energy: 2.415701920057342
Energy: 1.9910541072493257
Energy: 2.0045265258239158
Energy: 1.9869454937789561
Energy: 2.112109256996848
Energy: 1.9869454937833453
Energy: 2.4139602202540136
Energy: 2.0534542152687694
Energy: 2.113382687026563
Energy: 2.053454215267672
Energy: 2.0044619412640454
Energy: 1.9914663088922644
Energy: 2.0640112537825956
Energy: 1.9914663088933617
Energy: 2.004641640822573
Energy: 1.969681343165084
Energy: 2.513025393271746
Energy: 1.9696813431628895
Energy: 2.568122981855232
Energy: 1.9870149769558
Energy: 1.9820802467985104
Energy: 1.9870149769558
Energy: 2.0212975383838634
Energy: 2.0249726643142636
Energy: 2.0049524045268314
Energy: 2.0249726643142636
Energy: 2.002108845764142
Energy: 2.058697619808567
Energy: 2.538157947358314
Energy: 2.0586976198030804
Energy: 2.271268247367866
Energy: 1.970610957031254
Energy: 2.412095627641788
Energy: 1.970610957033449
Energy: 2.586787373855893
Energy: 1.9715588013667473
Energy: 2.4144852514885464
Energy: 1.9715588013667473
Energy: 1.9832956785263212
Energy: 2.013167052390037
Energy: 2.600551640163688
Energy: 2.013167052384551
Energy: 1.9830370000488506
Energy: 1.9873715705535546
Energy: 2.0127699073003233
Energy: 1.98737157055136
Energy: 2.620509521332883
Energy: 1.9981773131688407
Energy: 2.0160286406349313
Energy: 1.9981773131699383
Energy: 2.4414687313091434
Energy: 2.0202025367248426
Energy: 2.1001963222067577
Energy: 2.0202025367270373
Energy: 2.4454464102648434
Energy: 2.018858853538889
Energy: 2.386312896662822
Energy: 2.018858853539987
Energy: 2.665899828811479
Energy: 1.998356677692743
Energy: 2.010623952793197
Energy: 1.9983566776905488
Energy: 1.9833610071160013
Energy: 1.9873097600376803
Energy: 2.016335935210512
Energy: 1.9873097600398746
Energy: 1.9841149265445877
Energy: 1.9741780383439866
Energy: 2.6159808621653657
Energy: 1.9741780383461816
Energy: 2.038421485917731
Energy: 2.02946102651548
Energy: 2.4122314688846003
Energy: 2.029461026514433
Energy: 2.0748672686578375
Energy: 1.9702219262082115
Energy: 2.035449306116562
Energy: 1.9702219262060165

minimum gb energy = 1.9691015670544176 eV
minimum distance =  2.50890223747802 Angstroms
sigma value = 53


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

Energy: 1.8698865030976715
Energy: 1.7876157552619674
Energy: 2.1307263129873077
Energy: 1.7876157552619674
Energy: 1.870294813538486
Energy: 1.787524428451536
Energy: 1.870178156077916
Energy: 1.787524428451536
Energy: 2.5655632549548666
Energy: 1.830370708715034
Energy: 1.996580421965
Energy: 1.830370708715034
Energy: 1.9966056765502294
Energy: 1.830363005756191
Energy: 2.5656862008957266
Energy: 1.830363005756191
Energy: 1.8702007439940962
Energy: 1.7875364428562162
Energy: 1.8705300890937562
Energy: 1.7875364428562162
Energy: 3.9723221450203656
Energy: 1.7876157552619674
Energy: 1.8698865030976715
Energy: 1.7876157552619674
Energy: 1.870178156077916
Energy: 1.7875244284490095
Energy: 1.870294813538486
Energy: 1.787524428451536
Energy: 1.996580421965
Energy: 1.830370708712508
Energy: 2.5655632549548666
Energy: 1.830370708715034
Energy: 2.5656862008957266
Energy: 1.830363005756191
Energy: 1.9966056765502294
Energy: 1.8303630057536648
Energy: 1.8705300890937562
Energy: 1.7875364428562162
Energy: 1.87020074399157
Energy: 1.7875364428562162
Energy: 1.8698865030976715
Energy: 1.7876157552619674
Energy: 2.130726312904001
Energy: 1.7876157552594412
Energy: 1.870294813538486
Energy: 1.787524428451536
Energy: 1.870178156077916
Energy: 1.7875244284490095
Energy: 2.5655632549523406
Energy: 1.830370708715034
Energy: 1.996580421965
Energy: 1.830370708715034

minimum gb energy = 1.7875244284490095 eV
minimum distance =  2.48326482588599 Angstroms
sigma value = 9


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

Energy: 2.3067262542748357
Energy: 2.395390979556768
Energy: 2.4381524098090637
Energy: 2.395390979558638
Energy: 2.608383189034116
Energy: 2.0381348658173617
Energy: 2.16256906022586
Energy: 2.038134865818297
Energy: 2.1879515686521893
Energy: 2.069926969348257
Energy: 2.1663853898226124
Energy: 2.0699269693473217
Energy: 2.182720655359111
Energy: 2.0855146144071073
Energy: 2.162921502002251
Energy: 2.0855146144089773
Energy: 2.1877171862664553
Energy: 2.0612529547680203
Energy: 2.600786998151531
Energy: 2.0612529547680203
Energy: 2.6111480607567907
Energy: 2.172236048260544
Energy: 2.278821881536562
Energy: 2.1722360482661536
Energy: 2.1361385994008697
Energy: 2.0396767825835296
Energy: 2.6188487141016727
Energy: 2.0396767825835296
Energy: 2.1629459682395664
Energy: 2.093089997046247
Energy: 2.187226971756427
Energy: 2.0930899970434416
Energy: 2.135385739932648
Energy: 2.067342785665204
Energy: 2.1838573451732475
Energy: 2.067342785665204
Energy: 2.268143516185614
Energy: 2.0625934650193085
Energy: 2.2391953776975178
Energy: 2.0625934650249182
Energy: 2.1418676864125086
Energy: 2.1534269668480275
Energy: 2.618743929489664
Energy: 2.1534269668480275
Energy: 2.625597700772667
Energy: 2.061856239032132
Energy: 2.1278074128573126
Energy: 2.061856239037742
Energy: 2.2311435079639654
Energy: 2.090992328205286
Energy: 2.1309103444921944
Energy: 2.0909923281950014
Energy: 2.18812291739337
Energy: 2.082253468683793
Energy: 2.279552349467893
Energy: 2.0822534686791183
Energy: 2.187967636622028
Energy: 2.0938466883944464
Energy: 2.127661072062678
Energy: 2.0938466883907063
Energy: 2.6327314850711847
Energy: 2.0910953884913566
Energy: 2.1266916199922026
Energy: 2.091095388496031
Energy: 2.26801684257661
Energy: 2.1562669777947
Energy: 2.6445412528921595
Energy: 2.1562669777937646
Energy: 2.1375804458819463
Energy: 2.1534809157364827
Energy: 2.240016845478325
Energy: 2.1534809157448973
Energy: 2.626320431611863
Energy: 2.056179953870053
Energy: 2.186078147011123
Energy: 2.056179953862573
Energy: 2.1359834308215206
Energy: 2.091267273004843
Energy: 2.2189635701510553
Energy: 2.091267273001145
Energy: 2.1621759123351803
Energy: 2.0932806353182585
Energy: 2.2339868059922465
Energy: 2.093280635316389
Energy: 2.310199828709882
Energy: 2.115135075313154
Energy: 2.2772925234307935
Energy: 2.115135075315959
Energy: 2.208494732470927
Energy: 2.1726472106387065
Energy: 2.2772543880931244
Energy: 2.1726472106443167
Energy: 2.187059565466638
Energy: 2.0828069318224314
Energy: 2.656250485343063
Energy: 2.082806931824259
Energy: 2.1958095898439205
Energy: 2.093521366998184
Energy: 2.160050668512132
Energy: 2.093521366993509
Energy: 2.249510480384909
Energy: 2.1149091438082537
Energy: 2.158718080330653
Energy: 2.1149091438119934
Energy: 2.611369713770366
Energy: 2.1310683408571154
Energy: 2.361695439418117
Energy: 2.1310683408608555
Energy: 2.3061526502923964
Energy: 2.1307426782523375
Energy: 2.361132690270089
Energy: 2.130742678254208
Energy: 2.6139149821592578
Energy: 2.1157365130443586
Energy: 2.1603192276749965
Energy: 2.115736513048991
Energy: 2.1816802195366236
Energy: 2.109015017474677
Energy: 2.1593915016020038
Energy: 2.109015017474677
Energy: 2.1709662148442432
Energy: 2.0820678397471535
Energy: 2.6267838897530895
Energy: 2.0820678397424786
Energy: 2.2082780461222637
Energy: 2.112766065326874
Energy: 2.277647082616446
Energy: 2.1127660653240694
Energy: 2.6587713247591176
Energy: 2.1134923876417817
Energy: 2.277559898158877
Energy: 2.113492387652024
Energy: 2.1481618832798546
Energy: 2.0937970967368797
Energy: 2.2340311643744033
Energy: 2.093797096735945
Energy: 2.143840982469598
Energy: 2.090998301670868
Energy: 2.220921902034065
Energy: 2.090998301671803

minimum gb energy = 2.0381348658173617 eV
minimum distance =  2.4453349414959 Angstroms
sigma value = 73


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

Energy: 2.395933821309381
Energy: 2.2620884526773106
Energy: 2.3884799518558166
Energy: 2.262088452675827
Energy: 2.395579466856899
Energy: 2.1137939481348695
Energy: 2.20672894128346
Energy: 2.113793948136353
Energy: 2.255333686416715
Energy: 2.165396910369151
Energy: 2.2406244453159876
Energy: 2.165396910369151
Energy: 2.273058692911129
Energy: 2.1260767769449584
Energy: 2.2057220508158664
Energy: 2.1260767769449584
Energy: 2.3290732857471728
Energy: 2.125841207037808
Energy: 2.3817210402972866
Energy: 2.125841207037808
Energy: 2.8583229441096143
Energy: 2.2253669365645066
Energy: 2.173915145194306
Energy: 2.2253669365615396
Energy: 2.154046996042749
Energy: 2.0995890534505284
Energy: 2.381904878956232
Energy: 2.099589053452012
Energy: 2.1537218889971985
Energy: 2.12594032911219
Energy: 2.383115071725815
Energy: 2.12594032911219
Energy: 2.4513136647768867
Energy: 2.165442119002787
Energy: 2.2069527649082965
Energy: 2.1654421190057533
Energy: 2.153544162540766
Energy: 2.1652492180698166
Energy: 2.205227919210311
Energy: 2.1652492180683334
Energy: 2.1535017288698013
Energy: 2.1260967125786383
Energy: 2.387106505352981
Energy: 2.126096712577155
Energy: 2.450938221538466
Energy: 2.216570305547555
Energy: 2.3827767967751052
Energy: 2.216570305546072
Energy: 2.3311956418851727
Energy: 2.225860066393455
Energy: 2.173971587615597
Energy: 2.225860066393455
Energy: 2.255817192040037
Energy: 2.144254206864084
Energy: 2.7612776312273146
Energy: 2.144254206864084
Energy: 2.2777120223698546
Energy: 2.125818162108632
Energy: 2.2062581868743716
Energy: 2.125818162108632
Energy: 2.328654254334701
Energy: 2.165457117065607
Energy: 2.198477505905913
Energy: 2.165457117065607
Energy: 2.3955717253011604
Energy: 2.2534571833827797
Energy: 2.587310315616477
Energy: 2.2534571833827797
Energy: 2.3952402794270444
Energy: 2.2540657742165857
Energy: 2.58361314154741
Energy: 2.2540657742151025
Energy: 2.6255263449455195
Energy: 2.200669354257225
Energy: 2.205287838288562
Energy: 2.200669354257225
Energy: 2.2705105118119695
Energy: 2.1641742727653646
Energy: 2.198404380482565
Energy: 2.1641742727668483
Energy: 2.2559989392918474
Energy: 2.1485984500236817
Energy: 2.765339694656591
Energy: 2.148598450025165
Energy: 2.328817834896702
Energy: 2.2194428271699547
Energy: 2.174018287160996
Energy: 2.2194428271699547

minimum gb energy = 2.0995890534505284 eV
minimum distance =  2.41058593380547 Angstroms
sigma value = 7


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

Energy: 2.485799359407409
Energy: 2.286573692918226
Energy: 2.4724121519633746
Energy: 2.286573692919275
Energy: 2.492651815137765
Energy: 2.1907673252172963
Energy: 2.3679906339523544
Energy: 2.190767325219394
Energy: 2.2911542523548225
Energy: 2.1702559065756866
Energy: 2.1975385738785143
Energy: 2.1702559065756866
Energy: 2.3828243821055097
Energy: 2.145203548792677
Energy: 2.2906831396003327
Energy: 2.145203548792677
Energy: 2.4922389481187235
Energy: 2.1700998798684945
Energy: 2.1633085302195396
Energy: 2.170099879867445
Energy: 2.335266029419895
Energy: 2.1455794989874084
Energy: 2.163901271778155
Energy: 2.1455794989874084
Energy: 2.2594094957568713
Energy: 2.1668450509063555
Energy: 2.5406284412773648
Energy: 2.1668450509074044
Energy: 2.168030166400116
Energy: 2.145004693083077
Energy: 2.445134721405375
Energy: 2.145004693083077
Energy: 2.5399358293751817
Energy: 2.2118963115390646
Energy: 2.199356093410172
Energy: 2.2118963115390646
Energy: 2.1978691781626525
Energy: 2.1457430421037444
Energy: 2.3833187502287108
Energy: 2.145743042102695
Energy: 2.1982130152743657
Energy: 2.2131383036911294
Energy: 2.4447196998015137
Energy: 2.2131383036911294
Energy: 2.6963433023386636
Energy: 2.1448772589508653
Energy: 2.4914438770666556
Energy: 2.1448772589508653
Energy: 2.6949555449154925
Energy: 2.2447093649446885
Energy: 2.495283706355423
Energy: 2.2447093649446885
Energy: 2.201267200105622
Energy: 2.212395610883412
Energy: 2.2479750992625367
Energy: 2.212395610884461
Energy: 2.197432196583461
Energy: 2.228902708597774
Energy: 2.3513284950166455
Energy: 2.228902708597774
Energy: 2.5404476574986012
Energy: 2.300888222594878
Energy: 2.2927486662450796
Energy: 2.300888222595927
Energy: 2.1630503727373553
Energy: 2.145366660114668
Energy: 2.5004775689172583
Energy: 2.145366660113619
Energy: 2.1643858562520215
Energy: 2.169873602099862
Energy: 2.541096318354481
Energy: 2.1698736021009113
Energy: 2.420082658403611
Energy: 2.191658534727367
Energy: 2.1635141024066775
Energy: 2.1916585347252693
Energy: 2.4913787859919814
Energy: 2.1703927557167666
Energy: 2.163800491252782
Energy: 2.170392755718864
Energy: 2.3173449303972573
Energy: 2.1837083253332232
Energy: 2.2905616568853566
Energy: 2.1837083253321743
Energy: 2.292886700961362
Energy: 2.1701412181371924
Energy: 2.2034690023381693
Energy: 2.170141218136144
Energy: 2.494365629366702
Energy: 2.1618291578952737
Energy: 2.2903167329416907
Energy: 2.1618291578952737
Energy: 2.490888783779601
Energy: 2.2863109151400938
Energy: 2.7033112962458063
Energy: 2.2863109151400938
Energy: 2.4918298823734535
Energy: 2.1448931294248457
Energy: 2.3495094116935915
Energy: 2.1448931294237967
Energy: 2.456338386255841
Energy: 2.170270763523884
Energy: 2.197491933050424
Energy: 2.170270763523884
Energy: 2.3812649425223307
Energy: 2.1452533109503973
Energy: 2.1986723909015304
Energy: 2.1452533109493483
Energy: 2.5022536269718874
Energy: 2.169875289124764
Energy: 2.539984056059793
Energy: 2.1698752891268613
Energy: 2.481180978501289
Energy: 2.1449586664912714
Energy: 2.1635700210885
Energy: 2.1449586664912714
Energy: 2.5397673999670047
Energy: 2.1663933013587564
Energy: 2.5397678769169874
Energy: 2.1663933013587564
Energy: 2.1635681563859466
Energy: 2.144950342787104
Energy: 2.481180978501289
Energy: 2.144950342787104

minimum gb energy = 2.1448772589508653 eV
minimum distance =  2.46472172656824 Angstroms
sigma value = 29


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

Energy: 2.101319492792026
Energy: 2.1121699872562973
Energy: 2.467512035578083
Energy: 2.1121699872562973
Energy: 2.601514083027923
Energy: 2.07880483330616
Energy: 2.1334091971746743
Energy: 2.078804833306891
Energy: 2.467345644704359
Energy: 2.044075093893181
Energy: 2.0649160894330483
Energy: 2.044075093893181
Energy: 2.5990626284528053
Energy: 2.1706068923698063
Energy: 2.066131787746823
Energy: 2.1706068923705373
Energy: 2.602321514427932
Energy: 2.045045589396037
Energy: 2.064754494488449
Energy: 2.045045589394616
Energy: 2.438124636465809
Energy: 2.044634343117692
Energy: 2.0648291788631035
Energy: 2.044634343118747
Energy: 2.6557110817224268
Energy: 2.0438553143117884
Energy: 2.9548531456087908
Energy: 2.0438553143121534
Energy: 2.100323407598282
Energy: 2.0445831967627464
Energy: 2.9572948083473745
Energy: 2.044583196763112
Energy: 2.5983211702334796
Energy: 2.0447021506120975
Energy: 2.066225024351799
Energy: 2.0447021506120975

minimum gb energy = 2.0438553143117884 eV
minimum distance =  2.51332071960126 Angstroms
sigma value = 5


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

Energy: 2.4283764404566033
Energy: 2.191879232740867
Energy: 2.9758791209442563
Energy: 2.1918792327388856
Energy: 2.3966798961164213
Energy: 2.171782940594575
Energy: 2.3690366358211525
Energy: 2.171782940592593
Energy: 2.2485349219886714
Energy: 2.1426964415989085
Energy: 2.2215195110352735
Energy: 2.1426964415998992
Energy: 2.2487707235675964
Energy: 2.145958349045725
Energy: 2.362475432503143
Energy: 2.1459583490447343
Energy: 2.192582315270547
Energy: 2.09897559534963
Energy: 2.1898714053696073
Energy: 2.0989755953506206
Energy: 2.3090500392238393
Energy: 2.1175748561563066
Energy: 2.1898477306024633
Energy: 2.117574856153334
Energy: 2.3965873977775027
Energy: 2.102051825781347
Energy: 2.2920950287975104
Energy: 2.102051825778375
Energy: 2.399305165101997
Energy: 2.1019659880318495
Energy: 2.485970534909636
Energy: 2.1019659880328403
Energy: 2.610278797606499
Energy: 2.132544513822923
Energy: 2.407694104969078
Energy: 2.132544513822923
Energy: 2.5763343185780516
Energy: 2.132492321159804
Energy: 2.4106551719510625
Energy: 2.1324923211627764
Energy: 2.2289631850792055
Energy: 2.0994691796985214
Energy: 2.259165470460542
Energy: 2.0994691796945584
Energy: 2.2285846431788876
Energy: 2.0993712607917425
Energy: 2.211573829424637
Energy: 2.099371260794715
Energy: 2.4654941857976227
Energy: 2.3108925142749484
Energy: 2.211162348359905
Energy: 2.3108925142729664
Energy: 2.1895616099206143
Energy: 2.0989947322235363
Energy: 2.2102430120014374
Energy: 2.0989947322235363
Energy: 2.2668814993983823
Energy: 2.235280141817643
Energy: 2.432831053394493
Energy: 2.2352801418166526
Energy: 2.785018888233835
Energy: 2.1358803741829187
Energy: 2.397691275368363
Energy: 2.1358803741878734
Energy: 2.432126777294228
Energy: 2.132512634604682
Energy: 2.435363402315424
Energy: 2.132512634603691
Energy: 2.2374810951979143
Energy: 2.1018596453108755
Energy: 2.4899687487858526
Energy: 2.101859645312857
Energy: 2.3993046002432084
Energy: 2.1287980340050434
Energy: 2.3014795641140364
Energy: 2.128798034007025
Energy: 2.2128057785622537
Energy: 2.1308912644659195
Energy: 2.191145168299908
Energy: 2.130891264462947
Energy: 2.212966555729456
Energy: 2.1458741272498782
Energy: 2.26112364905202
Energy: 2.1458741272488875
Energy: 2.4521043938910045
Energy: 2.099148653964784
Energy: 2.2220669876282098
Energy: 2.0991486539628026
Energy: 2.2490246218250096
Energy: 2.0994634104873993
Energy: 2.2216291508107893
Energy: 2.0994634104913623
Energy: 2.575840488073513
Energy: 2.157759714243696
Energy: 2.49290868407856
Energy: 2.1577597142417146
Energy: 2.647715541705021
Energy: 2.157859875485263
Energy: 2.9422236032695452
Energy: 2.1578598754862544
Energy: 2.517862106672908
Energy: 2.0995255420668233
Energy: 2.221876314436678
Energy: 2.0995255420638506
Energy: 2.34819228974555
Energy: 2.0992934006863453
Energy: 2.2218643566994007
Energy: 2.099293400687336
Energy: 2.2129265257729895
Energy: 2.22583163245078
Energy: 2.490909259111246
Energy: 2.22583163245078
Energy: 2.212648968315728
Energy: 2.0994239238730907
Energy: 2.1949299118151364
Energy: 2.099423923870118
Energy: 2.4352020528001805
Energy: 2.2724307380817286
Energy: 2.288780430239675
Energy: 2.27243073808371
Energy: 2.310675988812283
Energy: 2.1022090967727904
Energy: 2.483877220768025
Energy: 2.102209096770809
Energy: 2.362634816273529
Energy: 2.15499263807563
Energy: 2.4076099356456933
Energy: 2.15499263807563
Energy: 2.8640451192888636
Energy: 2.1335307476188117
Energy: 2.40229330506293
Energy: 2.13353074761683

minimum gb energy = 2.09897559534963 eV
minimum distance =  2.40958425086354 Angstroms
sigma value = 1


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

Energy: 2.183595743421704
Energy: 2.0166177194549
Energy: 2.627804923262246
Energy: 2.0166177194549
Energy: 2.2377724086330835
Energy: 2.054479890209699
Energy: 2.249739528366991
Energy: 2.054479890209699
Energy: 2.347885205388712
Energy: 2.0118851472433863
Energy: 2.2305787777738604
Energy: 2.0118851472420163
Energy: 2.2475696883565366
Energy: 2.012290703727768
Energy: 2.2514045807497305
Energy: 2.012290703727768
Energy: 2.1386350399315712
Energy: 2.017052591231147
Energy: 2.138388457048913
Energy: 2.017052591229777
Energy: 2.1388090273872242
Energy: 2.082136591029546
Energy: 2.138791039384754
Energy: 2.082136591029546
Energy: 2.230281089758439
Energy: 2.012878380130146
Energy: 2.3515474716314895
Energy: 2.0128783801315158
Energy: 2.2304772934896233
Energy: 2.013211756088997
Energy: 2.3483552982187414
Energy: 2.013211756088997
Energy: 2.5146212644023467
Energy: 2.0145370260472357
Energy: 2.1836611636988104
Energy: 2.0145370260486053
Energy: 2.5146212644023467
Energy: 2.0145355328421326
Energy: 2.1835934710201346
Energy: 2.0145355328421326
Energy: 2.2308408847951604
Energy: 2.013218541753595
Energy: 2.3483552982187414
Energy: 2.013218541753595
Energy: 2.230243018490122
Energy: 2.0128629707518595
Energy: 2.3515474716314895
Energy: 2.0128629707532295
Energy: 2.1387421937126487
Energy: 2.082143562432231
Energy: 2.1387923185009305
Energy: 2.082143562433601
Energy: 2.138631954611865
Energy: 2.017008728109493
Energy: 2.1383563231580363
Energy: 2.017008728109493
Energy: 2.2475594839162127
Energy: 2.0120868671197907
Energy: 2.2511295731483107
Energy: 2.012086867121161
Energy: 2.347885205387342
Energy: 2.0118840438809715
Energy: 2.230579892065507
Energy: 2.0118840438809715
Energy: 2.237681764595053
Energy: 2.0543186749057307
Energy: 2.24986586232859
Energy: 2.0543186749057307
Energy: 2.183595743421704
Energy: 2.0166177194549
Energy: 2.627804923266355
Energy: 2.01661771945353
Energy: 2.2377724086330835
Energy: 2.0544798902110686
Energy: 2.249739528366991
Energy: 2.0544798902110686
Energy: 2.347885205388712
Energy: 2.0118851472420163
Energy: 2.2305787777738604
Energy: 2.0118851472433863
Energy: 2.247569688357907
Energy: 2.012290703727768
Energy: 2.25140458074836
Energy: 2.012290703727768
Energy: 2.138635039930201
Energy: 2.017052591231147
Energy: 2.138388457048913
Energy: 2.017052591231147
Energy: 2.1388090273872242
Energy: 2.082136591029546
Energy: 2.138791039384754
Energy: 2.082136591029546
Energy: 2.230281089758439
Energy: 2.0128783801315158
Energy: 2.3515474716314895
Energy: 2.012878380130146

minimum gb energy = 2.0118840438809715 eV
minimum distance =  2.4331325386737 Angstroms
sigma value = 17


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

Energy: 2.6206958827180755
Energy: 2.104211827961521
Energy: 2.8486908802460937
Energy: 2.104211827964908
Energy: 2.277145542458217
Energy: 2.082613434736939
Energy: 2.2998954883624023
Energy: 2.082613434732705
Energy: 2.2171054695732035
Energy: 2.0197084584537315
Energy: 2.1834852600959116
Energy: 2.0197084584511913
Energy: 2.2460041609174826
Energy: 2.093625922710098
Energy: 2.394470626275045
Energy: 2.093625922716872
Energy: 2.148279985973131
Energy: 2.014078423657605
Energy: 2.1666323537206837
Energy: 2.014078423663533
Energy: 2.2835827493096295
Energy: 2.0519146094087417
Energy: 2.166996484420642
Energy: 2.051914609407895
Energy: 2.179319806888495
Energy: 2.0136592223962206
Energy: 2.193023049354616
Energy: 2.0136592223953738
Energy: 2.1797344765099584
Energy: 2.012119977611017
Energy: 2.178709982753283
Energy: 2.012119977606783
Energy: 2.4896561992048087
Energy: 2.054389671028572
Energy: 2.5337006208331148
Energy: 2.0543896710302656
Energy: 2.198520840102718
Energy: 2.0546759825900733
Energy: 2.4101818467707985
Energy: 2.05467598259092
Energy: 2.3340053421411393
Energy: 2.040677511077286
Energy: 2.1780014826850014
Energy: 2.040677511072205
Energy: 2.337621381337071
Energy: 2.040705722466436
Energy: 2.237164686162996
Energy: 2.0407057224655887
Energy: 2.198044359413949
Energy: 2.018850897874088
Energy: 2.1880008022204223
Energy: 2.018850897873241
Energy: 2.1513829660184447
Energy: 2.0137589654251937
Energy: 2.1878300008315916
Energy: 2.013758965424347
Energy: 2.1507025562504722
Energy: 2.030167529485561
Energy: 2.2696198916186554
Energy: 2.030167529488101
Energy: 2.1507268700878006
Energy: 2.0135711500864564
Energy: 2.1442592758255805
Energy: 2.0135711500889966
Energy: 2.3957297619107822
Energy: 2.081807236869268
Energy: 2.231101016192581
Energy: 2.0818072368684213
Energy: 2.338736736180768
Energy: 2.0329746058984712
Energy: 2.4948358667820276
Energy: 2.032974605896778
Energy: 2.301514786982839
Energy: 2.1248747427392676
Energy: 2.3157789062108143
Energy: 2.124874742750276
Energy: 2.684840572170376
Energy: 2.0565970345874733
Energy: 2.3554503700655864
Energy: 2.0565970345874733
Energy: 2.2653659721372343
Energy: 2.1889551863179055
Energy: 2.2695791406966257
Energy: 2.1889551863179055
Energy: 2.179710631352742
Energy: 2.01424708254804
Energy: 2.1932723450621543
Energy: 2.014247082551427
Energy: 2.358614239425338
Energy: 2.1273590888503144
Energy: 2.26488297108625
Energy: 2.1273590888503144
Energy: 2.1488581386979733
Energy: 2.013763308370261
Energy: 2.1364936509076244
Energy: 2.013763308373648
Energy: 2.1494215395829794
Energy: 2.033075782790608
Energy: 2.2469343677225697
Energy: 2.033075782797382
Energy: 2.2184137521440137
Energy: 2.014782277942477
Energy: 2.183870919406483
Energy: 2.0147822779458644
Energy: 2.2781832796863104
Energy: 2.013361859948405
Energy: 2.3384213525135706
Energy: 2.0133618599467114
Energy: 2.5548015962857176
Energy: 2.097898697766236
Energy: 2.7664000904095394
Energy: 2.0978986977670826
Energy: 2.4384717639752345
Energy: 2.0976885000785614
Energy: 2.2679863282665464
Energy: 2.097688500083642
Energy: 2.2173777450914596
Energy: 2.014640303470362
Energy: 2.18402646439806
Energy: 2.014640303466975
Energy: 2.2214108125986147
Energy: 2.0127718186589245
Energy: 2.3372173872622635
Energy: 2.0127718186589245
Energy: 2.148432623180607
Energy: 2.029132794696837
Energy: 2.1665498875190283
Energy: 2.029132794696837
Energy: 2.1490252662941582
Energy: 2.013240009197032
Energy: 2.1392865346510854
Energy: 2.0132400091911045
Energy: 2.3529993258103596
Energy: 2.014754835998484
Energy: 2.1932903542274924
Energy: 2.01475483599425
Energy: 2.182897486366059
Energy: 2.0140239244244547
Energy: 2.1785323619223584
Energy: 2.0140239244336926
Energy: 2.26037281040893
Energy: 2.0831612440685907
Energy: 2.368539590817019
Energy: 2.083161244064357
Energy: 2.732805963203022
Energy: 2.0552344064791708
Energy: 2.3517800889073173
Energy: 2.055234406477477
Energy: 2.301279154144793
Energy: 2.12423146098613
Energy: 2.394552790568967
Energy: 2.124231460982743

minimum gb energy = 2.012119977606783 eV
minimum distance =  2.42482793146443 Angstroms
sigma value = 89


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

Energy: 2.430233638562272
Energy: 1.9081977595224122
Energy: 2.497221836157967
Energy: 1.9081977595224122
Energy: 2.197276050384998
Energy: 2.0122171659480195
Energy: 2.1913137754011607
Energy: 2.0122171659435883
Energy: 2.2712510761781757
Energy: 1.8917926338140114
Energy: 2.0205460193675835
Energy: 1.8917926338140114
Energy: 2.1503354862291078
Energy: 1.8946636368905307
Energy: 2.2402789840321162
Energy: 1.894663636888315
Energy: 2.055100753367102
Energy: 1.8941811993809503
Energy: 2.124467562454182
Energy: 1.8941811993787347
Energy: 2.1960151432227293
Energy: 2.0619590352464456
Energy: 2.125180584437772
Energy: 2.0619590352442296
Energy: 2.0555198527482337
Energy: 1.891859866396091
Energy: 2.124802263955652
Energy: 1.891859866396091
Energy: 2.0546457041434203
Energy: 1.911218949156112
Energy: 2.2466449478211388
Energy: 1.911218949156112
Energy: 2.2735089920671188
Energy: 1.8950292525293164
Energy: 2.020153659571016
Energy: 1.8950292525293164
Energy: 2.0555875737370894
Energy: 1.8946257874710046
Energy: 2.0203181436590527
Energy: 1.8946257874710046
Energy: 2.364849980673107
Energy: 1.8932779317580046
Energy: 2.2467902184067476
Energy: 1.8932779317580046
Energy: 2.2503982444998027
Energy: 1.8920955711231644
Energy: 2.246480584693758
Energy: 1.8920955711253802
Energy: 2.2714005554727117
Energy: 1.8952563604716122
Energy: 2.0204725307398466
Energy: 1.8952563604716122
Energy: 2.271622179447512
Energy: 1.8948670357899209
Energy: 2.0205218312702886
Energy: 1.8948670357899209
Energy: 2.055412494698953
Energy: 1.8948844007049384
Energy: 2.24710416714173
Energy: 1.8948844007049384

minimum gb energy = 1.8917926338140114 eV
minimum distance =  2.4284919702762 Angstroms
sigma value = 13


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

Energy: 2.1900525775104476
Energy: 1.8423232501472646
Energy: 2.374638716470015
Energy: 1.8423232501481932
Energy: 2.108079869718661
Energy: 1.8434006791835695
Energy: 2.1326323523292126
Energy: 1.8434006791826412
Energy: 2.1451916195806513
Energy: 1.7454738353957409
Energy: 2.149111561559673
Energy: 1.7454738353948123
Energy: 2.063000183050227
Energy: 1.8382640505003625
Energy: 2.1325041317555242
Energy: 1.8382640504994336
Energy: 1.9387423119217273
Energy: 1.7478904109062776
Energy: 2.0918397112549356
Energy: 1.7478904109062776
Energy: 2.061406707416282
Energy: 1.7450856012291325
Energy: 2.1019299167335297
Energy: 1.7450856012282034
Energy: 1.9533468950028507
Energy: 1.745024648103887
Energy: 1.9533981998782808
Energy: 1.745024648101101
Energy: 1.9541697526431572
Energy: 1.8328505747421862
Energy: 1.9536878717052415
Energy: 1.832850574744972
Energy: 2.0796663321988396
Energy: 1.747761250093162
Energy: 1.938557236049075
Energy: 1.7477612500950195
Energy: 2.108787840483135
Energy: 1.7459078648471098
Energy: 2.144740263864785
Energy: 1.745907864848967
Energy: 2.1275658792331544
Energy: 1.744496551748166
Energy: 2.145943550979067
Energy: 1.744496551749095
Energy: 2.1668760134514207
Energy: 1.7438629714859235
Energy: 1.9534488344224898
Energy: 1.743862971484995
Energy: 2.038258220209296
Energy: 1.829783483673956
Energy: 2.173366143014173
Energy: 1.829783483673956
Energy: 2.1103047396473307
Energy: 1.830386273553336
Energy: 2.1075855262569263
Energy: 1.8303862735551935
Energy: 2.1275450047763615
Energy: 1.7442677053603315
Energy: 2.145182381844235
Energy: 1.7442677053612603
Energy: 2.1351196113589572
Energy: 1.7436640170834012
Energy: 2.1621673256636877
Energy: 1.7436640170824729
Energy: 2.039059449174547
Energy: 1.7473162632625032
Energy: 1.9388652859950648
Energy: 1.7473162632606456
Energy: 2.0806301215484537
Energy: 1.7453690505887092
Energy: 2.1475315943045366
Energy: 1.7453690505887092
Energy: 1.9532956591441832
Energy: 1.7429476703182403
Energy: 1.9555281293657978
Energy: 1.7429476703191693
Energy: 1.954844074685716
Energy: 1.743057016798704
Energy: 1.9532796295059933
Energy: 1.743057016799633
Energy: 2.147469068211729
Energy: 1.7453829589760619
Energy: 2.093046200897211
Energy: 1.7453829589742045
Energy: 1.9385839824204036
Energy: 1.7473015867751904
Energy: 2.0390594491717606
Energy: 1.7473015867751904
Energy: 2.1621673256469722
Energy: 1.7436623622138134
Energy: 2.1350508788432716
Energy: 1.7436623622138134
Energy: 2.1451823818451636
Energy: 1.744248240333065
Energy: 2.127537799181557
Energy: 1.7442482403339936
Energy: 2.1071949437055513
Energy: 1.8303160365684146
Energy: 2.1102731983609546
Energy: 1.8303160365693432
Energy: 2.1733444769843175
Energy: 1.829664450599915
Energy: 2.0382582202130104
Energy: 1.8296644505989863
Energy: 1.9533704464414314
Energy: 1.7438930093027902
Energy: 2.1667976551505586
Energy: 1.7438930093055762
Energy: 2.14594355097721
Energy: 1.7444794392831255
Energy: 2.1275293023989597
Energy: 1.744479439284054
Energy: 2.1448320968686865
Energy: 1.7459081388618183
Energy: 2.1089320886175966
Energy: 1.7459081388599609
Energy: 1.938567263296924
Energy: 1.74776272398834
Energy: 2.0796672414205286
Energy: 1.74776272398834
Energy: 1.9535849046588234
Energy: 1.8328838919747357
Energy: 1.9542337524937041
Energy: 1.8328838919775217
Energy: 1.953327758301062
Energy: 1.7449813693246152
Energy: 1.9533476288362135
Energy: 1.7449813693255438
Energy: 2.101721737162806
Energy: 1.7452273986102655
Energy: 2.0613527747488303
Energy: 1.745227398609337
Energy: 2.091490576783095
Energy: 1.7479027963219387
Energy: 1.9387305852715429
Energy: 1.747902796320081
Energy: 2.132377337697342
Energy: 1.8377137061177107
Energy: 2.0626188618726147
Energy: 1.8377137061186393

minimum gb energy = 1.7429476703182403 eV
minimum distance =  2.45274054287816 Angstroms
sigma value = 37


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

Energy: 2.3099680512470377
Energy: 1.7267437588525534
Energy: 2.256493352084627
Energy: 1.7267437588525534
Energy: 1.9845982631114065
Energy: 1.7752224155462084
Energy: 2.0193381291948196
Energy: 1.7752224155446106
Energy: 2.0869538663369496
Energy: 1.6443685592119748
Energy: 2.1307604375747444
Energy: 1.6443685592135726
Energy: 1.9635894454523208
Energy: 1.7039884136336978
Energy: 2.019195602836738
Energy: 1.7039884136321
Energy: 1.9665831098837459
Energy: 1.643055554181411
Energy: 1.9781461638815687
Energy: 1.643055554181411
Energy: 1.9636643332881796
Energy: 1.6432156555841806
Energy: 2.041439636345938
Energy: 1.6432156555841806
Energy: 1.8724050586948902
Energy: 1.6446455452340727
Energy: 1.9125282194524473
Energy: 1.6446455452356703
Energy: 1.8733767607710732
Energy: 1.7305959013200247
Energy: 2.0430833408711933
Energy: 1.7305959013184269
Energy: 1.872659875044727
Energy: 1.6428486919937986
Energy: 1.9947746151009822
Energy: 1.6428486919937986
Energy: 1.9633290728396922
Energy: 1.6433238115770945
Energy: 2.042159520541819
Energy: 1.6433238115770945
Energy: 1.9634776433897112
Energy: 1.6402917085734925
Energy: 1.9740665726239917
Energy: 1.6402917085734925
Energy: 2.0045284237253247
Energy: 1.6436976388047233
Energy: 2.0114473267707993
Energy: 1.6436976388031255
Energy: 2.0871671015656323
Energy: 1.640302574337097
Energy: 2.022098776872459
Energy: 1.640302574337097
Energy: 1.9898938112871638
Energy: 1.6400194938334782
Energy: 2.019218164207222
Energy: 1.6400194938318804
Energy: 2.112723952743228
Energy: 1.7220252287839388
Energy: 1.9781672192835682
Energy: 1.7220252287839388
Energy: 2.0796428673506413
Energy: 1.7631002679714058
Energy: 2.008377537095423
Energy: 1.7631002679714058
Energy: 2.0873291947804185
Energy: 1.6400053274660626
Energy: 2.022173962005381
Energy: 1.6400053274660626
Energy: 1.9632543245215566
Energy: 1.6403073048096846
Energy: 2.0190652202134047
Energy: 1.6403073048080867
Energy: 1.9635905095734507
Energy: 1.640034887865315
Energy: 1.9790938758284196
Energy: 1.640034887865315
Energy: 2.0125855946505817
Energy: 1.643482767240577
Energy: 1.9786724285892618
Energy: 1.643482767240577

minimum gb energy = 1.6400053274660626 eV
minimum distance =  2.45877781674862 Angstroms
sigma value = 25


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

Energy: 2.223443685423207
Energy: 1.5638862207947717
Energy: 2.0669076559996133
Energy: 1.5638862207922763
Energy: 1.8795839591386834
Energy: 1.7155164428054752
Energy: 1.851353221593508
Energy: 1.7155164428042275
Energy: 1.906232164324383
Energy: 1.5004018042692568
Energy: 2.1723594267289847
Energy: 1.5004018042655143
Energy: 1.847062094146149
Energy: 1.5228303853724412
Energy: 1.8514827081693392
Energy: 1.5228303853662035
Energy: 1.9364797860778227
Energy: 1.461269515241014
Energy: 1.787149721063653
Energy: 1.4612695152397666
Energy: 1.8471739128349467
Energy: 1.7264541163358917
Energy: 1.8607069033562225
Energy: 1.7264541163371394
Energy: 1.7373634164698095
Energy: 1.4608635809025239
Energy: 1.9196124843913625
Energy: 1.4608635809012762
Energy: 1.8680899887121103
Energy: 1.4620868251214056
Energy: 1.8593653919054025
Energy: 1.462086825120158
Energy: 1.765821516570428
Energy: 1.4606128903816427
Energy: 1.7885291758538688
Energy: 1.4606128903828903
Energy: 1.8684116577384877
Energy: 1.504016986030021
Energy: 1.7901593099618107
Energy: 1.5040169860312118
Energy: 1.7720389352739265
Energy: 1.4604154383430183
Energy: 1.7830540340713605
Energy: 1.460415438344266
Energy: 1.868308380265206
Energy: 1.4610217991274426
Energy: 1.8596404789629604
Energy: 1.4610217991299377
Energy: 1.7375207985511403
Energy: 1.4578784389847306
Energy: 1.885877329800523
Energy: 1.4578784389872257
Energy: 1.800092706038062
Energy: 1.4621250352363224
Energy: 1.8529829866827598
Energy: 1.4621250352363224
Energy: 1.9115913634399881
Energy: 1.4586524204824731
Energy: 1.7877710339412305
Energy: 1.4586524204799778
Energy: 1.8466492858368895
Energy: 1.4602256754270404
Energy: 1.8509257302767606
Energy: 1.4602256754246021
Energy: 1.901212934756531
Energy: 1.4969489126773186
Energy: 1.8943517420620208
Energy: 1.4969489126773186
Energy: 1.820089085074038
Energy: 1.605126932559129
Energy: 1.8734233147911334
Energy: 1.6051269325578816
Energy: 1.9789223578324266
Energy: 1.5618077495830527
Energy: 1.7873366406177544
Energy: 1.561807749581805
Energy: 1.8801209433707295
Energy: 1.5638247770243134
Energy: 1.8514116392260764
Energy: 1.5638247770268086
Energy: 1.9013518099207078
Energy: 1.4971192884350868
Energy: 1.8943892391663235
Energy: 1.4971192884338391
Energy: 1.7993190321523844
Energy: 1.5231710530582565
Energy: 1.8732121623804883
Energy: 1.5231710530582565
Energy: 1.9112899149017464
Energy: 1.4585275052140922
Energy: 1.7877543503381306
Energy: 1.4585275052140922
Energy: 1.8469783944945983
Energy: 1.4615176265951217
Energy: 1.8304125590518743
Energy: 1.4615176265938743
Energy: 1.7375348960676371
Energy: 1.4579003457136859
Energy: 1.8858804310562511
Energy: 1.4579003457186763
Energy: 1.850206838116902
Energy: 1.4607145494558693
Energy: 1.8533673906348074
Energy: 1.460714549457117

minimum gb energy = 1.4578784389847306 eV
minimum distance =  2.46720403338989 Angstroms
sigma value = 41


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

Energy: 2.3405279747488756
Energy: 1.4241826368164885
Energy: 1.8866700526855547
Energy: 1.4241826368164885
Energy: 1.7270373686113796
Energy: 1.5037979029839952
Energy: 1.7197992140296923
Energy: 1.5037979029829724
Energy: 1.7525013324118557
Energy: 1.379527266212074
Energy: 2.1003163083624936
Energy: 1.3795272662141198
Energy: 1.7050856074688476
Energy: 1.4341789647520384
Energy: 1.7199409976343267
Energy: 1.4341789647561298
Energy: 2.076617061187307
Energy: 1.3446466698228459
Energy: 1.6499802916194761
Energy: 1.3446466698238684
Energy: 1.7054629002607704
Energy: 1.3947247685667463
Energy: 1.7182886734410878
Energy: 1.3947247685667463
Energy: 1.6765600180396023
Energy: 1.3234522955731782
Energy: 1.8804149137824904
Energy: 1.3234522955742007
Energy: 1.7275017265974948
Energy: 1.3599315162030663
Energy: 1.717423362052867
Energy: 1.3599315162051118
Energy: 1.8752867597199379
Energy: 1.323217437219872
Energy: 1.644444269236261
Energy: 1.3232174372178265
Energy: 1.7268643487496205
Energy: 1.3836500978122857
Energy: 1.7294050289278895
Energy: 1.3836500978122857
Energy: 1.7210405061388476
Energy: 1.3232362033797451
Energy: 1.7227222521790861
Energy: 1.3232362033838367
Energy: 1.720862043174426
Energy: 1.348023740540926
Energy: 1.7287075640678302
Energy: 1.348023740536835
Energy: 1.7364009346293656
Energy: 1.3229663767579094
Energy: 1.709819893810588
Energy: 1.3229663767579094
Energy: 1.7240702862999036
Energy: 1.3251669955723868
Energy: 1.7276593694844204
Energy: 1.3251669955713639
Energy: 1.7158900621335187
Energy: 1.3218311853169151
Energy: 1.637717496512075
Energy: 1.3218311853148694
Energy: 1.7180833010964178
Energy: 1.3251728047648377
Energy: 1.6865889849537457
Energy: 1.325172804767906
Energy: 1.6701038054940114
Energy: 1.322315683922839
Energy: 1.7382571266124
Energy: 1.322315683922839
Energy: 1.706339251895365
Energy: 1.3234633066994994
Energy: 1.7146894108648973
Energy: 1.323463306702568
Energy: 1.7393949994765345
Energy: 1.343420529809651
Energy: 1.6498606299258136
Energy: 1.343420529809651
Energy: 1.7281590748563445
Energy: 1.4048670844620248
Energy: 1.7115203068097113
Energy: 1.4048670844630473
Energy: 1.7511454892736673
Energy: 1.3793192508975618
Energy: 1.7848530760614958
Energy: 1.3793192508996075
Energy: 1.727561120942021
Energy: 1.4367390215284808
Energy: 1.719840066793113
Energy: 1.4367390215295037
Energy: 1.7859610292267047
Energy: 1.4236553908275926
Energy: 1.649467994510097
Energy: 1.4236553908296383
Energy: 1.7569554251827597
Energy: 1.4554789588417814
Energy: 1.7118325392129357
Energy: 1.4554789588448498
Energy: 1.7501538828291934
Energy: 1.3790024753289867
Energy: 1.7848057593957996
Energy: 1.3790024753320549
Energy: 1.7054412369060399
Energy: 1.3789544965025833
Energy: 1.7200523119204658
Energy: 1.3789544965015605
Energy: 1.7393148852726035
Energy: 1.3496228680520945
Energy: 1.6497141244388402
Energy: 1.3496228680490259
Energy: 1.7282197221698419
Energy: 1.3583749819488338
Energy: 1.7128871781735642
Energy: 1.358374981947811
Energy: 1.67020813026253
Energy: 1.3217953007680137
Energy: 1.7383803391279018
Energy: 1.3217953007710819
Energy: 1.7247551420898686
Energy: 1.32422769101393
Energy: 1.7147954540509578
Energy: 1.32422769101393
Energy: 1.7168162253853476
Energy: 1.3221273827041515
Energy: 1.637889472359382
Energy: 1.3221273827021058
Energy: 1.718134293452832
Energy: 1.3247386625925948
Energy: 1.7724797651902422
Energy: 1.3247386625936175

minimum gb energy = 1.3217953007680137 eV
minimum distance =  2.46772832965533 Angstroms
sigma value = 15


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

Energy: 2.232147231575006
Energy: 1.3220142045077246
Energy: 1.7444042431445086
Energy: 1.3220142045094574
Energy: 1.6197176004210172
Energy: 1.3704396052980308
Energy: 1.5971883665135183
Energy: 1.370439605310161
Energy: 1.6261537562533321
Energy: 1.28059006713152
Energy: 2.041026659619685
Energy: 1.2805900671367187
Energy: 1.6051833962204682
Energy: 1.5398643571688488
Energy: 1.5971700545190584
Energy: 1.5398643571662494
Energy: 2.0150309096597825
Energy: 1.253832682933047
Energy: 1.5431681597320375
Energy: 1.2538326829295812
Energy: 1.6050528123073409
Energy: 1.2817575274558686
Energy: 1.5967002658263791
Energy: 1.2817575274576019
Energy: 1.5497222450903596
Energy: 1.2285604338187184
Energy: 1.850029447484219
Energy: 1.22856043382565
Energy: 1.6044540300666104
Energy: 1.26213031474698
Energy: 1.596845607082928
Energy: 1.262130314752179
Energy: 1.8357352083224687
Energy: 1.215781510677465
Energy: 1.5307456397743984
Energy: 1.2157815106826635
Energy: 1.6051945110726835
Energy: 1.2405303118630917
Energy: 1.610581586676183
Energy: 1.2405303118630917
Energy: 1.5860914277077338
Energy: 1.2156681592561762
Energy: 1.6968396067954432
Energy: 1.2156681592544432
Energy: 1.6113568003896224
Energy: 1.2523984066928426
Energy: 1.6112497039871723
Energy: 1.2523984066937095
Energy: 1.6935300986838027
Energy: 1.2174199912915702
Energy: 1.5790507562060336
Energy: 1.2174199912967691
Energy: 1.6108624382984442
Energy: 1.2298250027844595
Energy: 1.610429520135303
Energy: 1.229825002792258
Energy: 1.6565583887593898
Energy: 1.2155048085195799
Energy: 1.5847982422641818
Energy: 1.2155048085169804
Energy: 1.6106613966667833
Energy: 1.2294276196750287
Energy: 1.6088212845079013
Energy: 1.2294276196680967
Energy: 1.5931290282142128
Energy: 1.2188503774755415
Energy: 1.6627157257306793
Energy: 1.218850377479874
Energy: 1.6077174465834196
Energy: 1.2178020572786792
Energy: 1.6044884919150713
Energy: 1.2178020572743466
Energy: 1.615066682199538
Energy: 1.2182031739712027
Energy: 1.5251214273549178
Energy: 1.2182031739729355
Energy: 1.6024085043576186
Energy: 1.2394831844460814
Energy: 1.6019634007675472
Energy: 1.239483184452147
Energy: 1.5448114807433375
Energy: 1.2325739004655163
Energy: 1.642958035046234
Energy: 1.2325739004551184
Energy: 1.5886907053196777
Energy: 1.2658942108428004
Energy: 1.6104221110265444
Energy: 1.2658942108358686
Energy: 1.6444207692295323
Energy: 1.2504939075290513
Energy: 1.538658594595197
Energy: 1.2504939075333839
Energy: 1.6049539731220033
Energy: 1.3259933709528362
Energy: 1.5973798543335045
Energy: 1.3259933709433054
Energy: 1.6263483075445566
Energy: 1.2844483696206062
Energy: 1.686194303058517
Energy: 1.28444836961714
Energy: 1.6046865350136652
Energy: 1.347117559598109
Energy: 1.626908656564813
Energy: 1.347117559593777
Energy: 1.6860452252245794
Energy: 1.3214223469724056
Energy: 1.8812153924191641
Energy: 1.3214223469706723
Energy: 1.6195854184068603
Energy: 1.3729397324560064
Energy: 1.597395479804441
Energy: 1.3729397324508077
Energy: 1.6346605368055709
Energy: 1.2839873174391068
Energy: 1.6859092991795501
Energy: 1.2839873174408398
Energy: 1.5887019546700054
Energy: 1.2955732667904052
Energy: 1.6269469691125473
Energy: 1.2955732667886726
Energy: 1.6441647767160315
Energy: 1.256448846060275
Energy: 1.5388431271427132
Energy: 1.2564488460533434
Energy: 1.604958792153537
Energy: 1.2833710612697635
Energy: 1.601791778948687
Energy: 1.2833710612749623
Energy: 1.5593837468247769
Energy: 1.2325858813274275
Energy: 1.6428991655490375
Energy: 1.2325858813196293
Energy: 1.6076501430173804
Energy: 1.2367227952969542
Energy: 1.6101241279685392
Energy: 1.2367227953021531
Energy: 1.6150497384651912
Energy: 1.2191140897166548
Energy: 1.6066170917538376
Energy: 1.2191140897157886
Energy: 1.6024822109398715
Energy: 1.2381593666266322
Energy: 1.609146719586914
Energy: 1.2381593666292317
Energy: 1.5859121547676875
Energy: 1.2193074165912678
Energy: 1.6625173520447987
Energy: 1.2193074166051316

minimum gb energy = 1.2155048085169804 eV
minimum distance =  2.4747675858445 Angstroms
sigma value = 85


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

Energy: 2.168172475967828
Energy: 1.2601525188277067
Energy: 1.609472993311534
Energy: 1.2601525188284581
Energy: 1.515421177349998
Energy: 1.3282803960447338
Energy: 1.5209897121251512
Energy: 1.3282803960514975
Energy: 1.5108403635780514
Energy: 1.2307463995036676
Energy: 2.1229459649874105
Energy: 1.2307463995051706
Energy: 1.4930619876889246
Energy: 1.2189243233942078
Energy: 1.5209075816725701
Energy: 1.2189243233912017
Energy: 1.965169279109113
Energy: 1.1773128270950446
Energy: 1.4407617231289507
Energy: 1.1773128270942932
Energy: 1.493362575255038
Energy: 1.3473762167807812
Energy: 1.5002164065876382
Energy: 1.3473762059092589
Energy: 1.4444935322078376
Energy: 1.1630578730805172
Energy: 1.9350929723983237
Energy: 1.1630578730805172
Energy: 1.4915521709310615
Energy: 1.1535735776705567
Energy: 1.5001309732100827
Energy: 1.1535735776713083
Energy: 1.7931584871090704
Energy: 1.1277249334941768
Energy: 1.4928789167703054
Energy: 1.1277249334949282
Energy: 1.4914220721910225
Energy: 1.1371676976481098
Energy: 1.4958709371862624
Energy: 1.1371676976488612
Energy: 1.4677950455211284
Energy: 1.1276681039225591
Energy: 1.7778039190014179
Energy: 1.1276681039225591
Energy: 1.504633513751828
Energy: 1.1264227459342115
Energy: 1.4960588441599962
Energy: 1.1264227459349632
Energy: 1.6515928392101222
Energy: 1.1310904182057862
Energy: 1.5229789697515212
Energy: 1.1310904182028143
Energy: 1.5046686210260836
Energy: 1.144552847497436
Energy: 1.5050875849879515
Energy: 1.1445528474966846
Energy: 1.5136530740349048
Energy: 1.1305386425973138
Energy: 1.6510816080219417
Energy: 1.1305386425988166
Energy: 1.5025214515271956
Energy: 1.1307379478818065
Energy: 1.5042602796586382
Energy: 1.1307379478818065
Energy: 1.5424933710711113
Energy: 1.1310547702470632
Energy: 1.4906635943452393
Energy: 1.1310547702485665
Energy: 1.5036347896381441
Energy: 1.1302783361408686
Energy: 1.5047659623573804
Energy: 1.130278336144626
Energy: 1.508774286553733
Energy: 1.1308682149157867
Energy: 1.5563764451056818
Energy: 1.1308682149172897
Energy: 1.4960479828483093
Energy: 1.1120608246665524
Energy: 1.5013702763313197
Energy: 1.112060824665801
Energy: 1.4694318189612554
Energy: 1.1276512373804535
Energy: 1.5097172954234162
Energy: 1.127651237379702
Energy: 1.4932667864041347
Energy: 1.1254020744079083
Energy: 1.494640866682632
Energy: 1.1254020744079083
Energy: 1.5431589448441898
Energy: 1.1276113981121332
Energy: 1.4976264460809268
Energy: 1.1276113981113816
Energy: 1.5026352184037244
Energy: 1.3271291444936166
Energy: 1.4825327778809192
Energy: 1.327129144494368
Energy: 1.4418227187945811
Energy: 1.1656209161247995
Energy: 1.5278371097030732
Energy: 1.1656209161263025
Energy: 1.4928635457804273
Energy: 1.1852242688748555
Energy: 1.5002358627663555
Energy: 1.1852242688771102
Energy: 1.5945231480298667
Energy: 1.1771621621685664
Energy: 1.4387343630001823
Energy: 1.1771621621655601
Energy: 1.5258449399689904
Energy: 1.209790168586272
Energy: 1.4869826784173827
Energy: 1.209790168586272
Energy: 1.5109470802455394
Energy: 1.2306266951209504
Energy: 1.5428966264625978
Energy: 1.2306266951194476
Energy: 1.5154432337942871
Energy: 1.2696210640959351
Energy: 1.521271282668636
Energy: 1.2696210640959351
Energy: 1.595930150767156
Energy: 1.2600008337488258
Energy: 1.7357724526076856
Energy: 1.2600008337495772
Energy: 1.565731698093723
Energy: 1.2533743491417917
Energy: 1.4870049220989328
Energy: 1.2533743491402884
Energy: 1.509704645439467
Energy: 1.2306953787888857
Energy: 1.5427428473341436
Energy: 1.230695378789637
Energy: 1.4924841203928794
Energy: 1.2176467554949708
Energy: 1.5212941962710254
Energy: 1.2176467554957224
Energy: 1.5946604185366215
Energy: 1.1770991625506737
Energy: 1.4386327983501181
Energy: 1.1770991625484193
Energy: 1.5259384688527058
Energy: 1.1699697565292313
Energy: 1.482579347597203
Energy: 1.1699697565277285
Energy: 1.442200220749638
Energy: 1.1631912554377366
Energy: 1.5439084374193102
Energy: 1.1631912554369852
Energy: 1.492564639487971
Energy: 1.153538458944079
Energy: 1.5002310835806534
Energy: 1.153538458942576
Energy: 1.5437676519289854
Energy: 1.1277591030596368
Energy: 1.4918105807054698
Energy: 1.1277591030626428
Energy: 1.5027635962353902
Energy: 1.1250608495412842
Energy: 1.5009180713515977
Energy: 1.1250608495412842
Energy: 1.4656726941782243
Energy: 1.1276353000920845
Energy: 1.5098017957944447
Energy: 1.1276353000890784
Energy: 1.5043964013617586
Energy: 1.1248565971724338
Energy: 1.4945771797867797
Energy: 1.1248565971724338
Energy: 1.5085040794102844
Energy: 1.1124298741142913
Energy: 1.5231220054636938
Energy: 1.1124298741135399

minimum gb energy = 1.112060824665801 eV
minimum distance =  2.48122537751351 Angstroms
sigma value = 113


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

Energy: 0.01942065767230524
Energy: 0.0200240317345807
Energy: 1.8106092449379105
Energy: 0.020024031734035087
Energy: 0.019910494633258415
Energy: 1.4885548855846749
Energy: 0.019910494632712803
Energy: 1.4885548855852204
Energy: 1.9611518934781218
Energy: 0.020024031734035087
Energy: 0.01942065767230524
Energy: 0.020024031734035087
Energy: 0.019910494633258415
Energy: 1.4885548855852204
Energy: 0.019910494632712803
Energy: 1.4885548855846749
Energy: 0.01942065767230524
Energy: 0.020024031734035087
Energy: 1.8106092449379105
Energy: 0.020024031734035087
Energy: 0.019910494633258415
Energy: 1.4885548855846749
Energy: 0.019910494633258415
Energy: 1.4885548855846749

minimum gb energy = 0.01942065767230524 eV
minimum distance =  2.72194710870332 Angstroms
sigma value = 1