Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999862909317
cohesive_energy=3.3503944978124447
mass=26.981538
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: -0.00986900153303542 eV

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

Energy: 0.010324465458115809
Energy: 0.010861896095868217
Energy: 0.46362118404904606
Energy: 0.010861896095868217
Energy: 0.010861896095868217
Energy: 0.29862899702563706
Energy: 0.010861896096367934
Energy: 0.29862899702610907
Energy: 0.4636211840475747
Energy: 0.010861896096367934
Energy: 0.010324465458115809
Energy: 0.010861896095868217
Energy: 0.010861896095868217
Energy: 0.29862899702563706
Energy: 0.010861896096367934
Energy: 0.29862899702563706

minimum gb energy = 0.010324465458115809 eV
minimum distance =  2.83991055499875 Angstroms
sigma value = 1


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

Energy: 0.47511141902386383
Energy: 0.48293438514733883
Energy: 0.4996345543946352
Energy: 0.48293438514673276
Energy: 0.47492672776682066
Energy: 0.47324356282989116
Energy: 0.48376309778498805
Energy: 0.4732435628311033
Energy: 0.47103137047862376
Energy: 0.47461363707662585
Energy: 0.47149735654897723
Energy: 0.4746136370772044
Energy: 0.44778183185874876
Energy: 0.45871938046287664
Energy: 0.4542401102537562
Energy: 0.45871938046105853
Energy: 0.4492407616244197
Energy: 0.48676435520939615
Energy: 0.48533496129292875
Energy: 0.4867643552087901
Energy: 0.4493909959668605
Energy: 0.483590939255601
Energy: 0.45601376337881866
Energy: 0.4835909392549949
Energy: 0.4766030654787464
Energy: 0.47030658176464907
Energy: 0.4497830441817249
Energy: 0.47030658176525514
Energy: 0.4391043858309192
Energy: 0.4860281745319996
Energy: 0.45521001483683166
Energy: 0.48602817453260566
Energy: 0.4542073624086865
Energy: 0.454325468398609
Energy: 0.4921967507837467
Energy: 0.4543254683998211
Energy: 0.4526819498059368
Energy: 0.47411188309460145
Energy: 0.43890316959566233
Energy: 0.4741118830952075
Energy: 0.46679346667605853
Energy: 0.4799391348816881
Energy: 0.45416768002748287
Energy: 0.47993913488108203
Energy: 0.4778819448578968
Energy: 0.48592665968958926
Energy: 0.45889872638497115
Energy: 0.4859266596901954
Energy: 0.45291774410141866
Energy: 0.4738477355624967
Energy: 0.476669338512533
Energy: 0.47384773556189064
Energy: 0.45585294337539717
Energy: 0.4816376638612052
Energy: 0.45141966953270884
Energy: 0.48163766386059914
Energy: 0.4709262498630323
Energy: 0.48351417891734727
Energy: 0.4531241235085298
Energy: 0.4835141789161352
Energy: 0.4699824188471106
Energy: 0.48320999144628374
Energy: 0.47820082679224524
Energy: 0.48320999144628374
Energy: 0.47133834228659405
Energy: 0.4746106479912583
Energy: 0.4460104879140323
Energy: 0.4746106479906522
Energy: 0.48362957490820535
Energy: 0.4718082540827042
Energy: 0.4755490360973825
Energy: 0.4718082540827042
Energy: 0.4599134172445072
Energy: 0.485720292217559
Energy: 0.458561039152815
Energy: 0.48572029221877117
Energy: 0.5051036885585273
Energy: 0.45431104136948836
Energy: 0.4550803782322326
Energy: 0.4543110413688823
Energy: 0.45394303791197954
Energy: 0.47465877441612153
Energy: 0.44477887803499844
Energy: 0.47465877441612153
Energy: 0.45428808298810286
Energy: 0.4583411327932595
Energy: 0.46723136803712745
Energy: 0.45834113279204736
Energy: 0.4675697083056901
Energy: 0.48629645256294934
Energy: 0.4438146119901962
Energy: 0.48629645256294934
Energy: 0.4741915943944306
Energy: 0.47490228190039424
Energy: 0.44949032887550117
Energy: 0.47490228190100026
Energy: 0.4497305522579497
Energy: 0.4506712906249029
Energy: 0.47652166392493567
Energy: 0.4506712906249029
Energy: 0.4510245536262341
Energy: 0.4858333296517191
Energy: 0.4440237044876881
Energy: 0.4858333296523251
Energy: 0.4585345623563567
Energy: 0.47623195515872085
Energy: 0.45420099055818264
Energy: 0.47623195515993294
Energy: 0.44560473434113057
Energy: 0.47290988841449794
Energy: 0.46473290221575436
Energy: 0.47290988841449794
Energy: 0.47455520569630916
Energy: 0.47226087252044024
Energy: 0.46657392838300377
Energy: 0.47226087252104626
Energy: 0.47633400233207174
Energy: 0.48377859162220094
Energy: 0.4847611757663119
Energy: 0.48377859162280695
Energy: 0.4589009546769431
Energy: 0.4765364288491146
Energy: 0.45304540214946887
Energy: 0.4765364288497206
Energy: 0.4724061009334842
Energy: 0.4758689745596957
Energy: 0.45587404779206925
Energy: 0.47586897455848365
Energy: 0.4491721538877612
Energy: 0.4595403747662445
Energy: 0.45538269908324047
Energy: 0.4595403747650324

minimum gb energy = 0.43890316959566233 eV
minimum distance =  2.55758636873373 Angstroms
sigma value = 1


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

Energy: 0.4866452072394627
Energy: 0.5150794412610656
Energy: 0.4992169375847421
Energy: 0.5150794412589925
Energy: 0.48634610004142925
Energy: 0.49095607157372617
Energy: 0.4877608788867518
Energy: 0.49095607157234417
Energy: 0.4805500170190236
Energy: 0.5140419782902225
Energy: 0.46174613229804246
Energy: 0.5140419782874585
Energy: 0.4640877161005752
Energy: 0.46590513028854863
Energy: 0.4643454347388628
Energy: 0.46590513029062164
Energy: 0.464056800513049
Energy: 0.49948191034000267
Energy: 0.49516021223345535
Energy: 0.49948191034276673
Energy: 0.49727686995432824
Energy: 0.499651867841581
Energy: 0.5155463111487036
Energy: 0.49965186784296295
Energy: 0.4965361078154316
Energy: 0.4658141882069278
Energy: 0.46229796999211686
Energy: 0.4658141882076189
Energy: 0.4488964100821989
Energy: 0.5143041270877823
Energy: 0.46738109767339764
Energy: 0.5143041270801814
Energy: 0.4640538353733877
Energy: 0.47075949020895114
Energy: 0.4878518731117106
Energy: 0.47075949021171515
Energy: 0.4702013784723265
Energy: 0.5145748382057056
Energy: 0.47756031997610743
Energy: 0.5145748382077787
Energy: 0.4967810479596747
Energy: 0.4857880059375675
Energy: 0.49455487741967485
Energy: 0.4857880059410225
Energy: 0.45619620596201316
Energy: 0.506490164710034
Energy: 0.48315714709640034
Energy: 0.506490164710034
Energy: 0.4712121357485269
Energy: 0.49740334878238557
Energy: 0.4890620184512074
Energy: 0.4974033487851496
Energy: 0.47127702861691584
Energy: 0.4974314375225674
Energy: 0.4792069085212865
Energy: 0.4974314375274043
Energy: 0.4562760149234538
Energy: 0.5064879514353416
Energy: 0.46163210244143743
Energy: 0.5064879514387965
Energy: 0.49676556526669985
Energy: 0.48578021734063137
Energy: 0.48769022682903296
Energy: 0.48578021733924936
Energy: 0.4701974259344717
Energy: 0.5145296355168242
Energy: 0.4635107945385812
Energy: 0.5145296355182062
Energy: 0.4640415499226007
Energy: 0.47080325518381544
Energy: 0.4879775535495567
Energy: 0.4708032551831245
Energy: 0.448891486962495
Energy: 0.514275343327514
Energy: 0.4649881709610315
Energy: 0.514275343327514
Energy: 0.49655008548268353
Energy: 0.4657066069140349
Energy: 0.46194072197875896
Energy: 0.4657066069147259
Energy: 0.4973118595128712
Energy: 0.49968845755385977
Energy: 0.4642648425242954
Energy: 0.4996884575586968
Energy: 0.4643452842706238
Energy: 0.49945353951861365
Energy: 0.49740988704148614
Energy: 0.4994535395199956
Energy: 0.46421820926299406
Energy: 0.465903182266972
Energy: 0.45566310787656816
Energy: 0.46590318226420807
Energy: 0.4805025374175489
Energy: 0.5140603868672059
Energy: 0.4617561660445455
Energy: 0.5140603868713519
Energy: 0.48639419099910497
Energy: 0.4909702170577583
Energy: 0.4878827501978126
Energy: 0.4909702170570673
Energy: 0.4866452072394627
Energy: 0.5150794412603746
Energy: 0.5070120718640819
Energy: 0.5150794412589925
Energy: 0.48634610004142925
Energy: 0.49095607157372617
Energy: 0.4877608788867518
Energy: 0.49095607157234417
Energy: 0.4805500170190236
Energy: 0.5140419782902225
Energy: 0.4751250501416713
Energy: 0.5140419782874585
Energy: 0.46408771609988425
Energy: 0.46590513028854863
Energy: 0.4643454347388628
Energy: 0.46590513029062164

minimum gb energy = 0.448891486962495 eV
minimum distance =  2.52189712266031 Angstroms
sigma value = 25


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

Energy: 0.5182043482840853
Energy: 0.534030852581757
Energy: 0.561209831559282
Energy: 0.534030852581757
Energy: 0.5176969793147956
Energy: 0.5113324631219724
Energy: 0.4860109630046684
Energy: 0.5113324631187594
Energy: 0.49714191461125967
Energy: 0.5533757932499097
Energy: 0.4867453807561261
Energy: 0.5533757932491065
Energy: 0.48384626379848156
Energy: 0.4850124022189888
Energy: 0.4838066215665029
Energy: 0.48501240221818553
Energy: 0.4819309102310754
Energy: 0.5136137389494791
Energy: 0.5052119470624545
Energy: 0.5136137389494791
Energy: 0.5156464218833331
Energy: 0.532245042572602
Energy: 0.5022337683799368
Energy: 0.532245042572602
Energy: 0.5106421891479532
Energy: 0.502810987484414
Energy: 0.48710834100175254
Energy: 0.5028109874860206
Energy: 0.5303069408731185
Energy: 0.5287489221280021
Energy: 0.47448796621883627
Energy: 0.5287489221280021
Energy: 0.48708202367621584
Energy: 0.5301025399194143
Energy: 0.51040068902012
Energy: 0.5301025399186109
Energy: 0.5079369919368731
Energy: 0.532069475572879
Energy: 0.49463687216480107
Energy: 0.532069475572879
Energy: 0.5060108907572193
Energy: 0.515815782213351
Energy: 0.47898807663941323
Energy: 0.5158157822149577
Energy: 0.5033590991864102
Energy: 0.5338416436887343
Energy: 0.47807666544668825
Energy: 0.5338416436879312
Energy: 0.4868587551913068
Energy: 0.5283686837111479
Energy: 0.48286263885614383
Energy: 0.528368683714361
Energy: 0.5079355563431077
Energy: 0.511516285518779
Energy: 0.5187932903906565
Energy: 0.5115162855179759
Energy: 0.4596416148323289
Energy: 0.5285448008450065
Energy: 0.47449708729830575
Energy: 0.5285448008450065
Energy: 0.4919342766636241
Energy: 0.5017001364138923
Energy: 0.48983985804324903
Energy: 0.5017001364138923
Energy: 0.47005975679358886
Energy: 0.5581878534468563
Energy: 0.4676985611600517
Energy: 0.5581878534460529
Energy: 0.47039153162073594
Energy: 0.5119237580973822
Energy: 0.49098051352690625
Energy: 0.5119237580965789
Energy: 0.4841696376408962
Energy: 0.5104756841778072
Energy: 0.47275663289430386
Energy: 0.510475684177004
Energy: 0.5512756039997387
Energy: 0.532089957444361
Energy: 0.486694347873885
Energy: 0.532089957444361
Energy: 0.4891728809040464
Energy: 0.5255470620177837
Energy: 0.4861569099063497
Energy: 0.5255470620201935
Energy: 0.5186359634613256
Energy: 0.5349440537581536
Energy: 0.5352010190432613
Energy: 0.5349440537557437
Energy: 0.5177804426348271
Energy: 0.515748191782516
Energy: 0.4859991259369919
Energy: 0.5157481917809094
Energy: 0.4967113015927449
Energy: 0.5528154935324114
Energy: 0.5079909221781632
Energy: 0.5528154935324114
Energy: 0.4797270930651165
Energy: 0.5115093761320759
Energy: 0.48357912364320393
Energy: 0.5115093761336826

minimum gb energy = 0.4596416148323289 eV
minimum distance =  2.51032231863931 Angstroms
sigma value = 9


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

Energy: 0.519348429683114
Energy: 0.5403597910968094
Energy: 0.5755835856018567
Energy: 0.5403597910977677
Energy: 0.4967090462294037
Energy: 0.5356933555611868
Energy: 0.4979045089349803
Energy: 0.5356933555621453
Energy: 0.5156487019055358
Energy: 0.5036384368737089
Energy: 0.5112945959291929
Energy: 0.5036384368737089
Energy: 0.4988596305608669
Energy: 0.4980207412044326
Energy: 0.4721316852415399
Energy: 0.4980207412063491
Energy: 0.5405918524569386
Energy: 0.5363585162180854
Energy: 0.510938634595436
Energy: 0.5363585162180854
Energy: 0.46483032776735894
Energy: 0.5152359475227549
Energy: 0.5288684042824581
Energy: 0.5152359475217967
Energy: 0.498146602984861
Energy: 0.471621649795746
Energy: 0.4722613430283839
Energy: 0.471621649795746
Energy: 0.5218390693483536
Energy: 0.5154044448560718
Energy: 0.47197886604337763
Energy: 0.5154044448570301
Energy: 0.4986704331179167
Energy: 0.5370388533242658
Energy: 0.49735769853095896
Energy: 0.5370388533242658
Energy: 0.4991537987592467
Energy: 0.5186279066532361
Energy: 0.4767213385667977
Energy: 0.5186279066532361
Energy: 0.47931639123839415
Energy: 0.5438911204614988
Energy: 0.5094864335833866
Energy: 0.5438911204614988
Energy: 0.49917882828563465
Energy: 0.5323900006075988
Energy: 0.47216366918862773
Energy: 0.5323900006056824
Energy: 0.46472176227114487
Energy: 0.5039847922262888
Energy: 0.521709231709433
Energy: 0.5039847922272471
Energy: 0.5043347750723841
Energy: 0.5036703698101063
Energy: 0.49734795891356726
Energy: 0.5036703698081898
Energy: 0.4647299186046632
Energy: 0.5039484275547869
Energy: 0.5217791889529781
Energy: 0.5039484275538285
Energy: 0.4991180648879517
Energy: 0.5323591542201817
Energy: 0.47215214778172254
Energy: 0.5323591542201817
Energy: 0.4793245679486216
Energy: 0.5438680924239881
Energy: 0.5112337934629075
Energy: 0.5438680924239881
Energy: 0.49920303295046
Energy: 0.518634268661279
Energy: 0.4767564695698502
Energy: 0.5186342686603208
Energy: 0.49875359799031543
Energy: 0.5370573983152009
Energy: 0.49734475598308986
Energy: 0.5370573983161592
Energy: 0.5218438756060744
Energy: 0.5154480793004865
Energy: 0.47197529545692973
Energy: 0.5154480792995283
Energy: 0.4981825147475506
Energy: 0.471586215075124
Energy: 0.472260792774262
Energy: 0.47158621507704046

minimum gb energy = 0.46472176227114487 eV
minimum distance =  2.65169948557918 Angstroms
sigma value = 25


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

Energy: 0.49174305449083605
Energy: 0.5877452267073527
Energy: 0.5944867451142276
Energy: 0.5877452267073527
Energy: 0.4789488301469797
Energy: 0.5449634729064522
Energy: 0.4773481527702529
Energy: 0.544963472905267
Energy: 0.4796303725766574
Energy: 0.542305914864549
Energy: 0.482729002006027
Energy: 0.542305914864549
Energy: 0.4924238470803043
Energy: 0.5443962946684826
Energy: 0.54203768438485
Energy: 0.5443962946672977
Energy: 0.5413518846348483
Energy: 0.47897803480119894
Energy: 0.5213757951993779
Energy: 0.47897803480001394
Energy: 0.47980470372235373
Energy: 0.6114256263297297
Energy: 0.4782142213616796
Energy: 0.6114256263285447
Energy: 0.5074887349676676
Energy: 0.5525958488830076
Energy: 0.47855774790211236
Energy: 0.5525958488830076
Energy: 0.5391215714003792
Energy: 0.5882327752649636
Energy: 0.4921265172880437
Energy: 0.5882327752661487
Energy: 0.48257605596213204
Energy: 0.5278468811436205
Energy: 0.48028834488113054
Energy: 0.5278468811424356
Energy: 0.5554922892733702
Energy: 0.5596950396936113
Energy: 0.479682800970536
Energy: 0.5596950396947964
Energy: 0.522614486279769
Energy: 0.5874518638645029
Energy: 0.6024187011579618
Energy: 0.5874518638645029
Energy: 0.47889057574512456
Energy: 0.495868639861205
Energy: 0.5570704942408041
Energy: 0.495868639861205
Energy: 0.5439034764622294
Energy: 0.5430731296861886
Energy: 0.47899563786910654
Energy: 0.5430731296861886
Energy: 0.47750239382633763
Energy: 0.47767999393356575
Energy: 0.49244701600455637
Energy: 0.47767999393475086
Energy: 0.49392271844709534
Energy: 0.5695642849907102
Energy: 0.5399787494020457
Energy: 0.5695642849907102
Energy: 0.47974345290444953
Energy: 0.5426418084590241
Energy: 0.47983258380552957
Energy: 0.5426418084602093
Energy: 0.4824899693351662
Energy: 0.5156405896415576
Energy: 0.5562684436639809
Energy: 0.5156405896415576

minimum gb energy = 0.4773481527702529 eV
minimum distance =  2.65808270026239 Angstroms
sigma value = 17


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

Energy: 0.5643399905245813
Energy: 0.5649294655928353
Energy: 0.621949503564457
Energy: 0.5649294655921642
Energy: 0.5667886356110156
Energy: 0.5295044209290708
Energy: 0.49840500707447566
Energy: 0.5295044209290708
Energy: 0.603851054441685
Energy: 0.5631126274012878
Energy: 0.49845673142726465
Energy: 0.5631126274012878
Energy: 0.5480764236797979
Energy: 0.5992278112483056
Energy: 0.534160431298881
Energy: 0.5992278112489767
Energy: 0.5704908455795666
Energy: 0.5367337058327931
Energy: 0.5244963820597635
Energy: 0.5367337058314507
Energy: 0.5057263127079189
Energy: 0.5177260814930893
Energy: 0.5610514004119328
Energy: 0.5177260814937605
Energy: 0.4997036037542569
Energy: 0.5541706070345165
Energy: 0.4997937615219085
Energy: 0.5541706070345165
Energy: 0.560322918481829
Energy: 0.5352998743289513
Energy: 0.5049370004232145
Energy: 0.5352998743289513
Energy: 0.5066441416336718
Energy: 0.5920960670546875
Energy: 0.5733963723703005
Energy: 0.5920960670553587
Energy: 0.6056606441671292
Energy: 0.5499728046298006
Energy: 0.4989873525111897
Energy: 0.5499728046318141
Energy: 0.5011197682971122
Energy: 0.5689163579181681
Energy: 0.6045892936178263
Energy: 0.5689163579181681
Energy: 0.5065022478402295
Energy: 0.5528886860852116
Energy: 0.505747635332818
Energy: 0.5528886860852116
Energy: 0.6113214577457472
Energy: 0.5631567444196025
Energy: 0.5599974966385796
Energy: 0.5631567444182601
Energy: 0.49864285383628126
Energy: 0.5709669268689017
Energy: 0.5699591880201454
Energy: 0.5709669268655458
Energy: 0.5395487134690978
Energy: 0.5553670396502584
Energy: 0.5064291352817359
Energy: 0.5553670396502584
Energy: 0.5594022683334196
Energy: 0.51950404989463
Energy: 0.5590533795030129
Energy: 0.51950404989463
Energy: 0.5008718431361069
Energy: 0.5762903546188305
Energy: 0.6112719559958734
Energy: 0.5762903546201728
Energy: 0.5909564812469921
Energy: 0.5536086510020042
Energy: 0.5057267748635788
Energy: 0.5536086510013329
Energy: 0.5322567373029135
Energy: 0.5772331824701994
Energy: 0.5208395263075114
Energy: 0.5772331824695281
Energy: 0.5301968210743957
Energy: 0.60173381485945
Energy: 0.4999972449793647
Energy: 0.6017338148587787
Energy: 0.5288539944557867
Energy: 0.5640937701103891
Energy: 0.5581030523343997
Energy: 0.5640937701117315
Energy: 0.4990102774080827
Energy: 0.5976186425430996
Energy: 0.6074798604573373
Energy: 0.5976186425451132
Energy: 0.5754089020799805
Energy: 0.5710745987740797
Energy: 0.49847595288071395
Energy: 0.5710745987767644
Energy: 0.5071884762282574
Energy: 0.5555795696329232
Energy: 0.5572833113632514
Energy: 0.5555795696329232
Energy: 0.5379345779338528
Energy: 0.5637073775862657
Energy: 0.6035946323761225
Energy: 0.5637073775862657
Energy: 0.5737207396549836
Energy: 0.562238719160658
Energy: 0.4991007589285135
Energy: 0.5622387191613292
Energy: 0.5171402778154355
Energy: 0.5667920118323307
Energy: 0.6211755362882322
Energy: 0.5667920118309885
Energy: 0.5619032756938802
Energy: 0.5337130795246879
Energy: 0.558281850182752
Energy: 0.5337130795273727
Energy: 0.6058217832182442
Energy: 0.6018675117814574
Energy: 0.4996629483046773
Energy: 0.6018675117814574
Energy: 0.5050209050341579
Energy: 0.5777082570314157
Energy: 0.5914812503806791
Energy: 0.5777082570320871

minimum gb energy = 0.49840500707447566 eV
minimum distance =  2.45904358729487 Angstroms
sigma value = 53


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

Energy: 0.5413539857815387
Energy: 0.5416699919185037
Energy: 0.6621527246690944
Energy: 0.5416699919154134
Energy: 0.5861077766201884
Energy: 0.5635915585220654
Energy: 0.5405125633886878
Energy: 0.5635915585220654
Energy: 0.4932768015258969
Energy: 0.48203299266921296
Energy: 0.5749914513129784
Energy: 0.48203299267075805
Energy: 0.5035661240771758
Energy: 0.4825217027187228
Energy: 0.533070600425586
Energy: 0.4825217027202679
Energy: 0.6302130122831054
Energy: 0.5326409228489926
Energy: 0.5814608046606554
Energy: 0.5326409228489926
Energy: 0.48201669388323737
Energy: 0.4822884214139754
Energy: 0.6780753121354952
Energy: 0.4822884214139754
Energy: 0.5435484955135328
Energy: 0.5635915585220654
Energy: 0.5249034706609158
Energy: 0.5635915585220654
Energy: 0.4932768015258969
Energy: 0.48203299266921296
Energy: 0.5749914513145234
Energy: 0.48203299267075805
Energy: 0.503566124078721
Energy: 0.4825217027202679
Energy: 0.5391678166149555
Energy: 0.4825217027202679
Energy: 0.6302130122831054
Energy: 0.5326308960108902
Energy: 0.5814608046606554
Energy: 0.5326308960124353
Energy: 0.5413539857815387
Energy: 0.5416699919185037
Energy: 0.6621527246690944
Energy: 0.5416699919169586
Energy: 0.5861077766186432
Energy: 0.5635915585220654
Energy: 0.5348930738512501
Energy: 0.5635915585236106
Energy: 0.4932768015258969
Energy: 0.48203299267075805
Energy: 0.5749914513145234
Energy: 0.48203299267075805

minimum gb energy = 0.48201669388323737 eV
minimum distance =  2.59760995432002 Angstroms
sigma value = 9


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

Energy: 0.5317706680686501
Energy: 0.630589900675463
Energy: 0.6862329696636597
Energy: 0.6305899006766067
Energy: 0.6286340647308886
Energy: 0.5638663825827899
Energy: 0.5446374925307437
Energy: 0.5638663825827899
Energy: 0.5458107572241863
Energy: 0.522086333551988
Energy: 0.5338117440553536
Energy: 0.5220863335502722
Energy: 0.5998386990823189
Energy: 0.6209499834616076
Energy: 0.5450193500256817
Energy: 0.6209499834610356
Energy: 0.6464443389373683
Energy: 0.5496177664560182
Energy: 0.5497858581836804
Energy: 0.5496177664565901
Energy: 0.5233373187418697
Energy: 0.5208588274646968
Energy: 0.5989938052097968
Energy: 0.5208588274646968
Energy: 0.6859667225150972
Energy: 0.5468360229613339
Energy: 0.5453850089492097
Energy: 0.5468360229607621
Energy: 0.5471620912165066
Energy: 0.5686584829448071
Energy: 0.5928175830571136
Energy: 0.5686584829465228
Energy: 0.5491947769892909
Energy: 0.6236128313900254
Energy: 0.5276561798062839
Energy: 0.6236128313917411
Energy: 0.5451829294680743
Energy: 0.5613840431723891
Energy: 0.54475912601477
Energy: 0.5613840431723891
Energy: 0.5543402280104861
Energy: 0.5698425485727995
Energy: 0.6781734858262308
Energy: 0.5698425485727995
Energy: 0.5975855143776234
Energy: 0.5931066738535128
Energy: 0.5437616156329748
Energy: 0.5931066738546564
Energy: 0.5495152194613332
Energy: 0.631010488179702
Energy: 0.6337042773028172
Energy: 0.6310104881785583
Energy: 0.6107384224989356
Energy: 0.6133577178544564
Energy: 0.5335436557822455
Energy: 0.6133577178544564
Energy: 0.545642014996879
Energy: 0.5937589739672966
Energy: 0.582027660572127
Energy: 0.5937589739672966
Energy: 0.551289832407205
Energy: 0.616099418223019
Energy: 0.6027560856833126
Energy: 0.6160994182235908
Energy: 0.568188264227188
Energy: 0.5945696730259902
Energy: 0.5460106913742249
Energy: 0.5945696730259902
Energy: 0.5561330489216975
Energy: 0.5457279229390284
Energy: 0.6149353158817945
Energy: 0.5457279229390284
Energy: 0.6136453150010579
Energy: 0.5863695677902773
Energy: 0.5238269705637347
Energy: 0.5863695677897055
Energy: 0.5415801763491549
Energy: 0.5706595184045704
Energy: 0.5746111756370649
Energy: 0.5706595184045704
Energy: 0.594170324496372
Energy: 0.6025018628874282
Energy: 0.5990107618496388
Energy: 0.602501862889144
Energy: 0.5745134241819744
Energy: 0.5435877167877197
Energy: 0.5456466653661424
Energy: 0.5435877167877197
Energy: 0.5277997494812179
Energy: 0.5882926185728076
Energy: 0.552058609798065
Energy: 0.5882926185733794
Energy: 0.6650976918491189
Energy: 0.5992013611546589
Energy: 0.5513582415243299
Energy: 0.5992013611535152
Energy: 0.5441184426953483
Energy: 0.6066301975208117
Energy: 0.6353932209444155
Energy: 0.6066301975219555
Energy: 0.5823031923227675
Energy: 0.5664565537945757
Energy: 0.5483174961694525
Energy: 0.5664565537945757
Energy: 0.5590503452282849
Energy: 0.6051796952226456
Energy: 0.5970621345417508
Energy: 0.6051796952232174
Energy: 0.5311504215295605
Energy: 0.6240380416080702
Energy: 0.5988739008037058
Energy: 0.6240380416074983
Energy: 0.5593310719999295
Energy: 0.5662076281247423
Energy: 0.5478631077492983
Energy: 0.5662076281241704
Energy: 0.5443603386954385
Energy: 0.6675579882388203
Energy: 0.6581336775306134
Energy: 0.6675579882388203
Energy: 0.650653850503245
Energy: 0.598616970599576
Energy: 0.5507884779529238
Energy: 0.5986169705990042
Energy: 0.5227391888133813
Energy: 0.5476980588264808
Energy: 0.5486723870005018
Energy: 0.5476980588264808
Energy: 0.524358828594872
Energy: 0.582313367489382
Energy: 0.5447718584515839
Energy: 0.582313367489382
Energy: 0.5946363197700781
Energy: 0.5668521927938607
Energy: 0.5995026534387491
Energy: 0.5668521927938607
Energy: 0.5411258104874995
Energy: 0.6220446065561738
Energy: 0.6878343496229292
Energy: 0.6220446065561738

minimum gb energy = 0.5208588274646968 eV
minimum distance =  2.51149554417279 Angstroms
sigma value = 73


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

Energy: 0.5131173555615262
Energy: 0.5132680620823992
Energy: 0.6813889320433486
Energy: 0.5132680620823992
Energy: 0.5345950954446667
Energy: 0.5622744965162274
Energy: 0.5516607147432468
Energy: 0.5622744965189493
Energy: 0.5536589716750459
Energy: 0.5798612023260377
Energy: 0.5318939635415482
Energy: 0.5798612023260377
Energy: 0.5576624062490123
Energy: 0.5641887211082447
Energy: 0.5527959454050827
Energy: 0.5641887211073374
Energy: 0.5563728241977364
Energy: 0.5497376200313567
Energy: 0.5102609976140959
Energy: 0.5497376200313567
Energy: 0.5603122636954082
Energy: 0.5398711599891245
Energy: 0.6653781396347361
Energy: 0.5398711599909392
Energy: 0.6680346767697853
Energy: 0.6224544770360873
Energy: 0.5507137536553453
Energy: 0.6224544770369945
Energy: 0.5580736637457115
Energy: 0.5132452047650776
Energy: 0.6512423407256462
Energy: 0.5132452047659851
Energy: 0.6392462744200382
Energy: 0.5134063532153685
Energy: 0.5134195981194577
Energy: 0.5134063532153685
Energy: 0.5516898966061682
Energy: 0.5326137075740104
Energy: 0.5133009275686838
Energy: 0.5326137075740104
Energy: 0.5589189494839134
Energy: 0.5793250792901885
Energy: 0.6466449338347613
Energy: 0.5793250792910958
Energy: 0.5928179207087632
Energy: 0.5350855803079534
Energy: 0.5476243027065231
Energy: 0.5350855803079534
Energy: 0.5523358277146764
Energy: 0.5471562792438994
Energy: 0.5869955358806742
Energy: 0.547156279242992
Energy: 0.66654008516272
Energy: 0.5481105284246675
Energy: 0.5543100350004838
Energy: 0.5481105284246675
Energy: 0.5191758778648758
Energy: 0.578457678206995
Energy: 0.5930689660474693
Energy: 0.5784576782051803
Energy: 0.6476142884130758
Energy: 0.5611533762057493
Energy: 0.5581424305282642
Energy: 0.5611533762066566
Energy: 0.5130870816923748
Energy: 0.5133090455776829
Energy: 0.5534522310923317
Energy: 0.5133090455776829
Energy: 0.5166990003513335
Energy: 0.5131404812430684
Energy: 0.5607887348308831
Energy: 0.513140481242161
Energy: 0.5463672735963735
Energy: 0.5133138654380962
Energy: 0.5575735615617963
Energy: 0.5133138654380962
Energy: 0.5510905761679671
Energy: 0.5551339097893332
Energy: 0.6873704409375454
Energy: 0.5551339097884258
Energy: 0.6770313517806648
Energy: 0.5395814948778827
Energy: 0.5622856614963346
Energy: 0.5395814948796973
Energy: 0.5528331672504385
Energy: 0.5526773292844228
Energy: 0.5861650264134913
Energy: 0.5526773292835155

minimum gb energy = 0.5102609976140959 eV
minimum distance =  2.54862518369042 Angstroms
sigma value = 7


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

Energy: 0.5253542916941596
Energy: 0.5254367176105392
Energy: 0.7111122719277341
Energy: 0.5254367176079731
Energy: 0.6865157594886734
Energy: 0.5901570006345789
Energy: 0.5472960231405068
Energy: 0.5901570006397115
Energy: 0.5420942271611743
Energy: 0.5255061584850905
Energy: 0.5589192094202746
Energy: 0.5255061584908647
Energy: 0.5975467064786694
Energy: 0.5613776541550602
Energy: 0.5463280307696537
Energy: 0.5613776541524939
Energy: 0.5485814066384727
Energy: 0.5612630763057737
Energy: 0.5222486165684914
Energy: 0.5612630763051322
Energy: 0.5445486966970688
Energy: 0.5773357979143611
Energy: 0.6478767233108055
Energy: 0.577335797917569
Energy: 0.6114672162245443
Energy: 0.6297093300842564
Energy: 0.5818165201431058
Energy: 0.6297093300784822
Energy: 0.5430318710610413
Energy: 0.5778405417239051
Energy: 0.7056175065656394
Energy: 0.5778405417226219
Energy: 0.6174298954598559
Energy: 0.5511224958318084
Energy: 0.546177147282767
Energy: 0.551122495824751
Energy: 0.5520148550027496
Energy: 0.5439440946577767
Energy: 0.5777949805731363
Energy: 0.5439440946532856
Energy: 0.569101046993008
Energy: 0.593096424022942
Energy: 0.5698114376896901
Energy: 0.5930964240255083
Energy: 0.5254306483325694
Energy: 0.561784695309197
Energy: 0.5649806681089948
Energy: 0.561784695309197
Energy: 0.5251030161831077
Energy: 0.5259296797147992
Energy: 0.5980547392487874
Energy: 0.5259296797141576
Energy: 0.558626415125536
Energy: 0.5219630972938383
Energy: 0.5510579198190511
Energy: 0.5219630972912721
Energy: 0.544220404146727
Energy: 0.6083259353771535
Energy: 0.6135951519735283
Energy: 0.6083259353765121
Energy: 0.7112046645855689
Energy: 0.5214160156563659
Energy: 0.5470305192637657
Energy: 0.5214160156576491
Energy: 0.5438176725904583
Energy: 0.5677538666130221
Energy: 0.6171982796112704
Energy: 0.5677538666091725
Energy: 0.5332001508092917
Energy: 0.5874986394945865
Energy: 0.5495090736869115
Energy: 0.5874986394984361
Energy: 0.5438777378858679
Energy: 0.5771213738787856
Energy: 0.5500639127015717
Energy: 0.5771213738755775
Energy: 0.5435329249940464
Energy: 0.5626379661388762
Energy: 0.5228461660671513
Energy: 0.5626379661446504
Energy: 0.5694765937363822
Energy: 0.5732090601201605
Energy: 0.5461584801974945
Energy: 0.5732090601214438
Energy: 0.5417590690384883
Energy: 0.525562789068512
Energy: 0.6020947337786698
Energy: 0.5255627890710782
Energy: 0.6582344759015751
Energy: 0.5513739215717963
Energy: 0.5446932518362598
Energy: 0.5513739215692299
Energy: 0.5299625096089959
Energy: 0.5261464626676455
Energy: 0.6449083099103765
Energy: 0.5261464626695704
Energy: 0.5454831864213826
Energy: 0.5622375589418074
Energy: 0.5413696628893598
Energy: 0.5622375589462985
Energy: 0.5708450971099525
Energy: 0.5903074413164855
Energy: 0.5665818785169406
Energy: 0.5903074413145607
Energy: 0.5537838844026308
Energy: 0.5630928787515846
Energy: 0.5316638805874211
Energy: 0.5630928787535093
Energy: 0.6008870204604447
Energy: 0.5587999377936478
Energy: 0.5464604901576287
Energy: 0.5587999377930062
Energy: 0.5425589890978613
Energy: 0.5776432119213698
Energy: 0.6035239135499769
Energy: 0.5776432119232944
Energy: 0.6521518763782529
Energy: 0.5642477052591813
Energy: 0.5563193267830263
Energy: 0.564247705256615
Energy: 0.5425649429756249
Energy: 0.5777609984927915
Energy: 0.6585424794008963
Energy: 0.5777609984940745

minimum gb energy = 0.5214160156563659 eV
minimum distance =  2.51975892454422 Angstroms
sigma value = 29


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

Energy: 0.4894876967632749
Energy: 0.4905251831338762
Energy: 0.6077501352688903
Energy: 0.4905251831334541
Energy: 0.4665538821601058
Energy: 0.4904748681626058
Energy: 0.4896346320709204
Energy: 0.49047486816193536
Energy: 0.5035382832677112
Energy: 0.5044419430962876
Energy: 0.46682449126611053
Energy: 0.5044419430962876
Energy: 0.4895046826398533
Energy: 0.4678447457478269
Energy: 0.4895424883422002
Energy: 0.46784474574805035
Energy: 0.489787212939088
Energy: 0.4938044519542432
Energy: 0.467844764973329
Energy: 0.4938044519535728
Energy: 0.4901294487184034
Energy: 0.5034539256563684
Energy: 0.49042197712343244
Energy: 0.5034539256559464
Energy: 0.466714215855474
Energy: 0.49379809051843593
Energy: 0.4897949229170208
Energy: 0.4937980905182124
Energy: 0.4894932263619249
Energy: 0.4677181895842665
Energy: 0.4895053903976188
Energy: 0.46771818958448996
Energy: 0.46870889475124755
Energy: 0.5044681029127328
Energy: 0.6308281907371635
Energy: 0.5044681029123107

minimum gb energy = 0.4665538821601058 eV
minimum distance =  2.60277917473705 Angstroms
sigma value = 5


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

Energy: 0.49138842479670547
Energy: 0.49533752766682404
Energy: 0.6376068774054202
Energy: 0.4953375276662179
Energy: 0.5820622718851123
Energy: 0.5077296869700992
Energy: 0.503314748369411
Energy: 0.5077296869713113
Energy: 0.4828846364865988
Energy: 0.49317501736706176
Energy: 0.6223911737992048
Energy: 0.4931750173676678
Energy: 0.5039223912081267
Energy: 0.5159773052169587
Energy: 0.48510886173482115
Energy: 0.5159773052175647
Energy: 0.4932049790550679
Energy: 0.5182409752042211
Energy: 0.595675138355185
Energy: 0.5182409752036151
Energy: 0.5365077354342278
Energy: 0.49589050466251955
Energy: 0.48214594958586304
Energy: 0.49589050466130746
Energy: 0.47994025128888285
Energy: 0.5164856184749292
Energy: 0.4777108507483571
Energy: 0.5164856184755352
Energy: 0.47999768310506774
Energy: 0.5540743680419096
Energy: 0.4849672682956209
Energy: 0.5540743680413036
Energy: 0.4821854725331649
Energy: 0.5649694844557297
Energy: 0.49653285222041715
Energy: 0.5649694844557297
Energy: 0.48204574106044834
Energy: 0.5168890462885013
Energy: 0.4833700502688793
Energy: 0.5168890462885013
Energy: 0.5204375090385549
Energy: 0.553754102361104
Energy: 0.4840241884734499
Energy: 0.553754102359892
Energy: 0.5051428987896671
Energy: 0.4892975535532862
Energy: 0.4954207835603271
Energy: 0.4892975535526802
Energy: 0.5663584464807909
Energy: 0.49536426307527925
Energy: 0.49845140484210326
Energy: 0.4953642630758854
Energy: 0.4922644644464478
Energy: 0.4959371716238819
Energy: 0.5098290787316725
Energy: 0.49593717162448797
Energy: 0.6085494171742136
Energy: 0.5169435998597177
Energy: 0.48395624132304876
Energy: 0.5169435998591116
Energy: 0.48233361018227283
Energy: 0.4933685167709552
Energy: 0.5400888284489475
Energy: 0.4933685167709552
Energy: 0.5728995731263377
Energy: 0.4896977807081234
Energy: 0.4914466061354068
Energy: 0.4896977807081234
Energy: 0.4852901605312172
Energy: 0.49537672034734653
Energy: 0.5875217556387705
Energy: 0.49537672034795255
Energy: 0.4988543102269633
Energy: 0.5179913102596984
Energy: 0.47997305442467814
Energy: 0.5179913102590923
Energy: 0.49210648094460463
Energy: 0.5924517917002804
Energy: 0.48699558231072315
Energy: 0.5924517917002804
Energy: 0.490796313795664
Energy: 0.5148270663166925
Energy: 0.4825059538460455
Energy: 0.5148270663166925
Energy: 0.5079641473083879
Energy: 0.5166559916601753
Energy: 0.48217474019841583
Energy: 0.5166559916607812
Energy: 0.48641914082334037
Energy: 0.49577603030105233
Energy: 0.4916452744672666
Energy: 0.49577603030105233
Energy: 0.4952344942871215
Energy: 0.49836812840859296
Energy: 0.5041738397094704
Energy: 0.4983681284091989
Energy: 0.4952039216843558
Energy: 0.49245719968274226
Energy: 0.48751598757142256
Energy: 0.4924571996833483
Energy: 0.5079451316868852
Energy: 0.4959529126234007
Energy: 0.4946242878116834
Energy: 0.49595291262279456
Energy: 0.4828617501454427
Energy: 0.47877720883567876
Energy: 0.5233317429840101
Energy: 0.47877720883507274
Energy: 0.5510912724683551
Energy: 0.5172202491051052
Energy: 0.48235064943161876
Energy: 0.5172202491044992
Energy: 0.48925439745458393
Energy: 0.5205663665790725
Energy: 0.6156049618854127
Energy: 0.5205663665784664
Energy: 0.595034697812936
Energy: 0.49518713461380054
Energy: 0.4853985928649191
Energy: 0.49518713461380054
Energy: 0.4810538201719439
Energy: 0.48676975272617873
Energy: 0.5954456087232343
Energy: 0.48676975272678474
Energy: 0.5782019483889058
Energy: 0.5237910322108054
Energy: 0.48960369326891173
Energy: 0.5237910322101993
Energy: 0.4834037734796609
Energy: 0.521699537745955
Energy: 0.48957486182925936
Energy: 0.521699537745955

minimum gb energy = 0.4777108507483571 eV
minimum distance =  2.52067583132047 Angstroms
sigma value = 1


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

Energy: 0.4710172603138113
Energy: 0.47156560164566713
Energy: 0.6572778590840511
Energy: 0.4715656016439912
Energy: 0.5157763626608908
Energy: 0.5652127191781964
Energy: 0.46879014322636925
Energy: 0.5652127191790343
Energy: 0.45800229621666544
Energy: 0.4716490586421956
Energy: 0.6875953855161377
Energy: 0.4716490586438715
Energy: 0.5258445983255139
Energy: 0.5030440172412989
Energy: 0.4597675235171072
Energy: 0.5030440172421369
Energy: 0.46991667236847473
Energy: 0.4709839745159847
Energy: 0.6050970370854208
Energy: 0.47098397451682267
Energy: 0.4691328599534446
Energy: 0.5564694267714865
Energy: 0.4599707294062814
Energy: 0.5564694267698106
Energy: 0.4581115194640882
Energy: 0.5125711937453212
Energy: 0.5135489479793712
Energy: 0.5125711937453212
Energy: 0.458035579140299
Energy: 0.5565819613942719
Energy: 0.5135152032201687
Energy: 0.556581961391758
Energy: 0.4712983387337047
Energy: 0.4713336884211209
Energy: 0.48809243543922193
Energy: 0.4713336884219589
Energy: 0.47124444832204576
Energy: 0.47132379781117933
Energy: 0.46898131139007
Energy: 0.47132379781117933
Energy: 0.45798788137912033
Energy: 0.5565678406641176
Energy: 0.5135096613274168
Energy: 0.5565678406666315
Energy: 0.4581361138862345
Energy: 0.5125648340817879
Energy: 0.47020417444109563
Energy: 0.512564834083464
Energy: 0.458059049485612
Energy: 0.5564273593676973
Energy: 0.459829096967118
Energy: 0.5564273593693734
Energy: 0.4699352404161485
Energy: 0.4709992291764045
Energy: 0.5389710816943498
Energy: 0.47099922917137677
Energy: 0.5267807847910034
Energy: 0.5030320799140424
Energy: 0.4597402343982209
Energy: 0.5030320799148804
Energy: 0.45799431045125744
Energy: 0.47168324562100244
Energy: 0.6081550560155481
Energy: 0.47168324562435426
Energy: 0.5155852396337087
Energy: 0.5652248369802817
Energy: 0.46875371374595404
Energy: 0.5652248369819577
Energy: 0.4710172603138113
Energy: 0.47156560164566713
Energy: 0.6227364392357453
Energy: 0.4715656016439912
Energy: 0.5157763626592148
Energy: 0.5652127191781964
Energy: 0.4687901432272072
Energy: 0.5652127191790343
Energy: 0.45800229621666544
Energy: 0.4716490586421956
Energy: 0.6875953855161377
Energy: 0.4716490586438715
Energy: 0.5258445983322176
Energy: 0.5030440172412989
Energy: 0.4597675235162692
Energy: 0.5030440172421369
Energy: 0.46991667237098866
Energy: 0.47098397451514673
Energy: 0.6050970370887726
Energy: 0.47098397451682267
Energy: 0.46913285994925474
Energy: 0.5564694267714865
Energy: 0.4599707294062814
Energy: 0.5564694267698106
Energy: 0.4581115194640882
Energy: 0.5125711937453212
Energy: 0.5065235994451962
Energy: 0.5125711937453212

minimum gb energy = 0.45798788137912033 eV
minimum distance =  2.54535371711653 Angstroms
sigma value = 17


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

Energy: 0.47362796132532115
Energy: 0.47378040661360277
Energy: 0.6412030296179415
Energy: 0.4737804066151565
Energy: 0.5845888370362461
Energy: 0.4697421153242677
Energy: 0.46625440996334333
Energy: 0.4697421153258215
Energy: 0.4622502341832869
Energy: 0.46890315054666526
Energy: 0.6008919491633337
Energy: 0.4689031505445935
Energy: 0.5548618654487414
Energy: 0.5456477775798707
Energy: 0.4615359606247934
Energy: 0.5456477775809064
Energy: 0.464516995352864
Energy: 0.5020637953340529
Energy: 0.49618719078796447
Energy: 0.5020637953340529
Energy: 0.5101506480720974
Energy: 0.5515971580297788
Energy: 0.467033353362674
Energy: 0.551597158028743
Energy: 0.47680261022877957
Energy: 0.4939458680715105
Energy: 0.4688956498354734
Energy: 0.49394586807099256
Energy: 0.476343728088679
Energy: 0.5556128670405095
Energy: 0.46238841662168256
Energy: 0.5556128670405095
Energy: 0.46917470183188215
Energy: 0.5555975241089756
Energy: 0.49750046877700943
Energy: 0.5555975241074218
Energy: 0.46876077731017274
Energy: 0.5566331606052253
Energy: 0.4687813219818685
Energy: 0.5566331606052253
Energy: 0.45923194205320667
Energy: 0.5479820971553904
Energy: 0.4678073483395803
Energy: 0.5479820971553904
Energy: 0.4591779409273826
Energy: 0.4909234295864278
Energy: 0.4580810970657786
Energy: 0.490923429584874
Energy: 0.47806082275742673
Energy: 0.6239316583757716
Energy: 0.46467424638084176
Energy: 0.6239316583768074
Energy: 0.47751243068360355
Energy: 0.5010221843726608
Energy: 0.4741902238854058
Energy: 0.5010221843726608
Energy: 0.4726844816769547
Energy: 0.5477601085124386
Energy: 0.47909124773320294
Energy: 0.5477601085124386
Energy: 0.4672290791242582
Energy: 0.5552269093619524
Energy: 0.5001480833447106
Energy: 0.5552269093629882
Energy: 0.49204192104702554
Energy: 0.5477818488091925
Energy: 0.46457453774623114
Energy: 0.5477818488071208
Energy: 0.4587768742253116
Energy: 0.47408458255091956
Energy: 0.4936018250482683
Energy: 0.4740845825498837
Energy: 0.5482964326312918
Energy: 0.49296251147639303
Energy: 0.46466550358073166
Energy: 0.49296251147742887
Energy: 0.4643557569809896
Energy: 0.46893522190977405
Energy: 0.5983259604491069
Energy: 0.46893522190925613
Energy: 0.6621753982477743
Energy: 0.46586705332305056
Energy: 0.4741422341593737
Energy: 0.46586705332253264
Energy: 0.4736177941512109
Energy: 0.5267151060787044
Energy: 0.5902505755613201
Energy: 0.5267151060802582
Energy: 0.5364722947894488
Energy: 0.5506197311518856
Energy: 0.46544559204313385
Energy: 0.5506197311518856
Energy: 0.46481754702269734
Energy: 0.49482454579669083
Energy: 0.5487785260915657
Energy: 0.49482454579513707
Energy: 0.5095638457899854
Energy: 0.47413197919515077
Energy: 0.4599223718871473
Energy: 0.47413197919566874
Energy: 0.4661981587304264
Energy: 0.5013586304767194
Energy: 0.49321324747503886
Energy: 0.5013586304746476
Energy: 0.5429926081578503
Energy: 0.5507184785443977
Energy: 0.46830346525211053
Energy: 0.5507184785438798
Energy: 0.4815353918927921
Energy: 0.5483184767997655
Energy: 0.47364358012502394
Energy: 0.5483184767992476
Energy: 0.4740441529434237
Energy: 0.5007999491069872
Energy: 0.47415823006149016
Energy: 0.5007999491069872
Energy: 0.46591507029113866
Energy: 0.6225842079961312
Energy: 0.5041522683685054
Energy: 0.6225842079956133
Energy: 0.45789418436265816
Energy: 0.4996281029176567
Energy: 0.45895532980849013
Energy: 0.49962810291921045
Energy: 0.4662975928692352
Energy: 0.5475325288867798
Energy: 0.46473233864275815
Energy: 0.5475325288883336
Energy: 0.46775179864775346
Energy: 0.5563870222780456
Energy: 0.5481691237606082
Energy: 0.5563870222780456
Energy: 0.49730636203650014
Energy: 0.5552642681895105
Energy: 0.47067036453735356
Energy: 0.5552642681879566
Energy: 0.461660744170638
Energy: 0.47437676652371424
Energy: 0.4898686817659569
Energy: 0.47437676652371424
Energy: 0.4689838236503134
Energy: 0.4947377741708883
Energy: 0.4756143661377569
Energy: 0.49473777417037035
Energy: 0.4654377135528792
Energy: 0.5534316821234839
Energy: 0.4996474183037957
Energy: 0.5534316821234839
Energy: 0.49584476424653884
Energy: 0.5021892289721204
Energy: 0.46688273881932496
Energy: 0.5021892289726383

minimum gb energy = 0.45789418436265816 eV
minimum distance =  2.5332736523042 Angstroms
sigma value = 89


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

Energy: 0.41218688107087254
Energy: 0.4123907279815703
Energy: 0.4619790192449555
Energy: 0.4123907279815703
Energy: 0.41305949156213906
Energy: 0.42633806563129917
Energy: 0.42362559713772474
Energy: 0.42633806563129917
Energy: 0.42200245406605125
Energy: 0.4881333300968334
Energy: 0.7492425318161979
Energy: 0.48813333009547827
Energy: 0.4765868439690611
Energy: 0.42645782914311575
Energy: 0.42359704495872363
Energy: 0.42645782914311575
Energy: 0.4221526460247904
Energy: 0.45289665962268794
Energy: 0.41237336561148497
Energy: 0.45289665962268794
Energy: 0.42211057750093356
Energy: 0.4124741187795355
Energy: 0.412362814852132
Energy: 0.4124741187795355
Energy: 0.42218167950215313
Energy: 0.48884045278390115
Energy: 0.41241457123592806
Energy: 0.48884045278390115
Energy: 0.4392090695074025
Energy: 0.4867044408574712
Energy: 0.42351473545929924
Energy: 0.4867044408574712
Energy: 0.42217355501664283
Energy: 0.45291039114282344
Energy: 0.4165487628199287
Energy: 0.45291039114282344
Energy: 0.42673910185325975
Energy: 0.451188716305882
Energy: 0.4223232810296337
Energy: 0.45118871630452684
Energy: 0.4123209761476935
Energy: 0.426441565507552
Energy: 0.42211212860433495
Energy: 0.426441565507552
Energy: 0.4123968175688247
Energy: 0.48673980335895006
Energy: 0.42384665514207376
Energy: 0.48673980335895006
Energy: 0.4221130124792226
Energy: 0.41240454030144175
Energy: 0.436489113678785
Energy: 0.41240454030144175
Energy: 0.4226863096572289
Energy: 0.45122233126367933
Energy: 0.42237056213494706
Energy: 0.4512223312650345
Energy: 0.4390760778762297
Energy: 0.4123898517328789
Energy: 0.4221208574924042
Energy: 0.4123898517328789

minimum gb energy = 0.41218688107087254 eV
minimum distance =  2.5627093651561 Angstroms
sigma value = 13


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

Energy: 0.42339932357313365
Energy: 0.40815932507046576
Energy: 0.5932813609969521
Energy: 0.40815932507271196
Energy: 0.5428367910917339
Energy: 0.4176006004788721
Energy: 0.4082329860849143
Energy: 0.4176006004834161
Energy: 0.408534864203667
Energy: 0.4085182562075684
Energy: 0.49933927642028947
Energy: 0.40851825621154436
Energy: 0.409462014896395
Energy: 0.4178602428886581
Energy: 0.4056529444696966
Energy: 0.4178602428892261
Energy: 0.4131226150577842
Energy: 0.43849737887273044
Energy: 0.45414832368269725
Energy: 0.43849737887216245
Energy: 0.40921751715139937
Energy: 0.4184257688242982
Energy: 0.4149581905742055
Energy: 0.41842576881921206
Energy: 0.41287638790371434
Energy: 0.43659715522380926
Energy: 0.5201596113518038
Energy: 0.43659715522719145
Energy: 0.40885838756004805
Energy: 0.41869479581398217
Energy: 0.4150819247847047
Energy: 0.41869479581398217
Energy: 0.4132436521995315
Energy: 0.43634855752923185
Energy: 0.5395964364124761
Energy: 0.4363485575275278
Energy: 0.5039228869018697
Energy: 0.446009221830717
Energy: 0.4054761635450016
Energy: 0.446009221828445
Energy: 0.4125114836825668
Energy: 0.446078908753889
Energy: 0.40677445450946853
Energy: 0.446078908753889
Energy: 0.5796206255072984
Energy: 0.4460958835173101
Energy: 0.410065432040542
Energy: 0.44609588351333407
Energy: 0.4300618843722139
Energy: 0.41533946999244087
Energy: 0.42787159275469044
Energy: 0.41533946999698484
Energy: 0.5862469793116553
Energy: 0.4460466997645566
Energy: 0.40988470144621864
Energy: 0.44604669976512457
Energy: 0.41253244177735854
Energy: 0.407685826511833
Energy: 0.41658039960836035
Energy: 0.40768582651069696
Energy: 0.4090476948025012
Energy: 0.44600331288287615
Energy: 0.4044322491885315
Energy: 0.44600331288230816
Energy: 0.41646788088369857
Energy: 0.43440488457241583
Energy: 0.40457157693091383
Energy: 0.43440488456957577
Energy: 0.42629515696304515
Energy: 0.43488906051942894
Energy: 0.41356627252925826
Energy: 0.43488906051886095
Energy: 0.4167412579510596
Energy: 0.4147920566003747
Energy: 0.41345911587450157
Energy: 0.4147920566003747
Energy: 0.41672687370997985
Energy: 0.41493573667100486
Energy: 0.4136133858591971
Energy: 0.41493573666930084
Energy: 0.4262028191012359
Energy: 0.43490774722233744
Energy: 0.4135616126463653
Energy: 0.43490774722120146
Energy: 0.41608909438883923
Energy: 0.4345219797579996
Energy: 0.4047484826073984
Energy: 0.4345219797585676
Energy: 0.4092171681230766
Energy: 0.4460645607039067
Energy: 0.40460368098625854
Energy: 0.4460645607016347
Energy: 0.4120234869614551
Energy: 0.4076410554298596
Energy: 0.4096392550489665
Energy: 0.40764105543269963
Energy: 0.5864445974008817
Energy: 0.44611809591566154
Energy: 0.41005626505455467
Energy: 0.4461180959105496
Energy: 0.4298614114343079
Energy: 0.4154028818845796
Energy: 0.4099556086554854
Energy: 0.4154028818868516
Energy: 0.5795132085044234
Energy: 0.4461180180144177
Energy: 0.41032966833937307
Energy: 0.4461180180155537
Energy: 0.4125788271303253
Energy: 0.4460769385675216
Energy: 0.40643176152051685
Energy: 0.44607693856865765
Energy: 0.5037546182534837
Energy: 0.4460790371778757
Energy: 0.4054489840264691
Energy: 0.44607903718128367
Energy: 0.41327428662388066
Energy: 0.436256995892711
Energy: 0.49691964395665994
Energy: 0.436256995892711
Energy: 0.4087658458784559
Energy: 0.4185980141756245
Energy: 0.41511465907639167
Energy: 0.4185980141801685
Energy: 0.41322933153486613
Energy: 0.436380723110253
Energy: 0.5844950709813768
Energy: 0.436380723109685
Energy: 0.4087120435479202
Energy: 0.4183637163355113
Energy: 0.41506082670147315
Energy: 0.41836371634005526
Energy: 0.41236237466811937
Energy: 0.43848656807301406
Energy: 0.5685908220063003
Energy: 0.43848656807301406
Energy: 0.4085245507813625
Energy: 0.41813139781171893
Energy: 0.405695488188612
Energy: 0.41813139781115094

minimum gb energy = 0.4044322491885315 eV
minimum distance =  2.58154730410373 Angstroms
sigma value = 37


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

Energy: 0.4596277909803568
Energy: 0.40092629773634314
Energy: 0.46137955636256917
Energy: 0.40092629773634314
Energy: 0.5116682716672866
Energy: 0.5117619004049686
Energy: 0.38145072362011523
Energy: 0.5117619004039914
Energy: 0.3851430517133753
Energy: 0.5286274991435261
Energy: 0.5229186850434406
Energy: 0.5286274991435261
Energy: 0.4402777404114913
Energy: 0.3851225674431524
Energy: 0.38005369955882573
Energy: 0.3851225674421751
Energy: 0.3798010854010917
Energy: 0.384941582401078
Energy: 0.4536473419106068
Energy: 0.3849415823991235
Energy: 0.38907307473471114
Energy: 0.5118889406977184
Energy: 0.4411393980840332
Energy: 0.511888940695764
Energy: 0.38658466348739806
Energy: 0.6489312738315458
Energy: 0.590119385076756
Energy: 0.648931273832523
Energy: 0.37452929375289395
Energy: 0.3852341292841385
Energy: 0.3864782388248609
Energy: 0.38523412928511575
Energy: 0.38190029624939525
Energy: 0.5118499477158819
Energy: 0.5018497658108639
Energy: 0.5118499477149269
Energy: 0.5226898080057197
Energy: 0.5296684613287157
Energy: 0.4419370359898228
Energy: 0.5296684613267613
Energy: 0.389738805988825
Energy: 0.5482057273558554
Energy: 0.44044090211828557
Energy: 0.5482057273558554
Energy: 0.5342095230301148
Energy: 0.38499222158690377
Energy: 0.38038810383066113
Energy: 0.38499222158788093
Energy: 0.4403187443327783
Energy: 0.5119946038209451
Energy: 0.3886399199363579
Energy: 0.5119946038209451
Energy: 0.5902166198349329
Energy: 0.5310811920817521
Energy: 0.3744258254606303
Energy: 0.5310811920827293
Energy: 0.4598982870593075
Energy: 0.4047503330212326
Energy: 0.3743280020545106
Energy: 0.4047503330222098
Energy: 0.46003208969299464
Energy: 0.511985428383321
Energy: 0.38141257304949805
Energy: 0.5119854283842982
Energy: 0.4402896256155225
Energy: 0.427080760887134
Energy: 0.38842561649398694
Energy: 0.42708076088615676
Energy: 0.44018586957259614
Energy: 0.5482402444642824
Energy: 0.37961913672521985
Energy: 0.5482402444623503
Energy: 0.37984634057408795
Energy: 0.38505695068012974
Energy: 0.37953440680477046
Energy: 0.3850569506781753
Energy: 0.3798699757142861
Energy: 0.5120574417829001
Energy: 0.44037425892360427
Energy: 0.512057441780968

minimum gb energy = 0.3743280020545106 eV
minimum distance =  2.54707613856854 Angstroms
sigma value = 25


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

Energy: 0.3686106113847039
Energy: 0.35237136730762425
Energy: 0.6634725873031382
Energy: 0.3523713673091505
Energy: 0.49762016610945775
Energy: 0.5515125391746036
Energy: 0.3516869947430361
Energy: 0.5515125391746036
Energy: 0.3481661678037144
Energy: 0.34840999481655893
Energy: 0.49226605816796754
Energy: 0.348409994817322
Energy: 0.39708590836407454
Energy: 0.35813828355554916
Energy: 0.3516265652306238
Energy: 0.35813828355554916
Energy: 0.35132044169938975
Energy: 0.35952506625754516
Energy: 0.3417222326564959
Energy: 0.3595250662552906
Energy: 0.3423628466369729
Energy: 0.3583310311799425
Energy: 0.3516567042157495
Energy: 0.3583310311807056
Energy: 0.35302246457125747
Energy: 0.3485651589037851
Energy: 0.3980015599351808
Energy: 0.34856515890302203
Energy: 0.345247575810792
Energy: 0.468552469302057
Energy: 0.3492930959842538
Energy: 0.468552469302057
Energy: 0.35192462721394974
Energy: 0.5501034770605017
Energy: 0.5347630548558938
Energy: 0.5501034770605017
Energy: 0.34514680250645974
Energy: 0.3515392368974731
Energy: 0.36976984640812793
Energy: 0.35153923689594685
Energy: 0.35303194095467955
Energy: 0.34942251217039927
Energy: 0.5464954708852352
Energy: 0.34942251217116244
Energy: 0.45930481077294705
Energy: 0.5713194370720158
Energy: 0.3493495816428107
Energy: 0.5713194370735419
Energy: 0.3516307714847467
Energy: 0.3581563134795638
Energy: 0.4439376352591452
Energy: 0.3581563134803269
Energy: 0.4654855669128357
Energy: 0.5508168310268243
Energy: 0.3516468811410622
Energy: 0.5508168310268243
Energy: 0.3531573504520497
Energy: 0.3492997096758971
Energy: 0.34192966802721037
Energy: 0.3492997096758971
Energy: 0.4629281984770946
Energy: 0.5707915976318908
Energy: 0.35233371955723436
Energy: 0.5707915976311276
Energy: 0.3516955886511423
Energy: 0.4685363833709528
Energy: 0.3446987223220562
Energy: 0.4685363833709528
Energy: 0.45260702103104933
Energy: 0.3582375183593913
Energy: 0.3514806827095878
Energy: 0.3582375183593913
Energy: 0.3716917220156363
Energy: 0.3485851541211533
Energy: 0.3452401621762345
Energy: 0.3485851541211533
Energy: 0.5451498572495761
Energy: 0.570626369084829
Energy: 0.3524982949230658
Energy: 0.570626369084066
Energy: 0.3519502028025611
Energy: 0.5718072232920847
Energy: 0.35020447819812783
Energy: 0.5718072232905584
Energy: 0.348495286607605
Energy: 0.3582150063878949
Energy: 0.3515144415016413
Energy: 0.3582150063871318
Energy: 0.35315976215944006
Energy: 0.460425864552812
Energy: 0.4653369665002673
Energy: 0.460425864552812
Energy: 0.34177345812280396
Energy: 0.5675885970263576
Energy: 0.35239078525211115
Energy: 0.5675885970263576
Energy: 0.35229762194037334
Energy: 0.5732870594797482
Energy: 0.4623107756185075
Energy: 0.5732870594797482
Energy: 0.3449085914187356
Energy: 0.37031379318579966
Energy: 0.3483853293360534
Energy: 0.3703137931842735

minimum gb energy = 0.3417222326564959 eV
minimum distance =  2.58530289351878 Angstroms
sigma value = 41


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

Energy: 0.4856412589528272
Energy: 0.3360966850500015
Energy: 0.6368554108401293
Energy: 0.3360966850506271
Energy: 0.5238057477964961
Energy: 0.3283489581315168
Energy: 0.32523504215137844
Energy: 0.3283489581308912
Energy: 0.33303121834460125
Energy: 0.32490848020277563
Energy: 0.44449215666800157
Energy: 0.3249084802021501
Energy: 0.44746018951409694
Energy: 0.32801130580024673
Energy: 0.32514417193814665
Energy: 0.3280113058008724
Energy: 0.32201020913745027
Energy: 0.3424879941880279
Energy: 0.370271977170023
Energy: 0.3424879941867767
Energy: 0.4006660771412102
Energy: 0.3278619322574314
Energy: 0.32502843035255596
Energy: 0.327861932258057
Energy: 0.32447805103603233
Energy: 0.3276042327037302
Energy: 0.3648807377986033
Energy: 0.3276042327043558
Energy: 0.3193317844327539
Energy: 0.33505948012434444
Energy: 0.322744396531622
Energy: 0.3350594801237189
Energy: 0.32593059899306476
Energy: 0.5117257682638784
Energy: 0.5365358405276528
Energy: 0.5117257682620016
Energy: 0.3218425046969304
Energy: 0.32434617513391223
Energy: 0.33371533138883275
Energy: 0.32434617513391223
Energy: 0.3244372599358307
Energy: 0.32819781050675195
Energy: 0.5570966375278252
Energy: 0.32819781050737756
Energy: 0.32152905874429083
Energy: 0.3356614498939691
Energy: 0.48631828523619003
Energy: 0.3356614498939691
Energy: 0.3267458331254767
Energy: 0.43795920821481804
Energy: 0.5980414909355202
Energy: 0.4379592082154436
Energy: 0.4140323995159788
Energy: 0.4468260987664588
Energy: 0.33371198419846726
Energy: 0.4468260987676816
Energy: 0.32438200731887007
Energy: 0.32829661712608804
Energy: 0.47992398020676597
Energy: 0.3282966171267136
Energy: 0.42406476865210524
Energy: 0.5114230663374909
Energy: 0.32272891418480615
Energy: 0.5114230663387421
Energy: 0.32692170654731734
Energy: 0.4359052755029913
Energy: 0.4504253398983186
Energy: 0.4359052755023656
Energy: 0.4198477567012867
Energy: 0.4469346671186029
Energy: 0.32516459499568207
Energy: 0.44693466711797725
Energy: 0.3244734986282497
Energy: 0.33485711598825857
Energy: 0.3193099686150955
Energy: 0.33485711598700735
Energy: 0.4154960331451109
Energy: 0.511501050370467
Energy: 0.32687736812872004
Energy: 0.5115010503698414
Energy: 0.33533795712150444
Energy: 0.43550562910446833
Energy: 0.32179664342041664
Energy: 0.43550562910446833
Energy: 0.5573860147141789
Energy: 0.5364370145584545
Energy: 0.3250203306326337
Energy: 0.5364370145578289
Energy: 0.4881743075019973
Energy: 0.3352788440598338
Energy: 0.3215269350551763
Energy: 0.33527884405920827
Energy: 0.4870126740173599
Energy: 0.5117145362023862
Energy: 0.3267129356134201
Energy: 0.5117145362011349
Energy: 0.3355446541753665
Energy: 0.43576532320746036
Energy: 0.3270274775530893
Energy: 0.435765323208086
Energy: 0.48023535197891
Energy: 0.5326756424128466
Energy: 0.3249544653750761
Energy: 0.5326756424134722
Energy: 0.3244158516230162
Energy: 0.5120347721840909
Energy: 0.4239768526207107
Energy: 0.5120347721847165
Energy: 0.32246937427902383
Energy: 0.5114406864363645
Energy: 0.32696829570997193
Energy: 0.5114406864363645
Energy: 0.3267291821409399
Energy: 0.43569329593402845
Energy: 0.4199504308771375
Energy: 0.43569329593402845
Energy: 0.3192319508507965
Energy: 0.530833157127386
Energy: 0.3267897708953052
Energy: 0.5308331571267604
Energy: 0.3250497316152399
Energy: 0.5116906412300867
Energy: 0.4151792493810413
Energy: 0.5116906412307122
Energy: 0.322496633933935
Energy: 0.512319276209273
Energy: 0.33784882557948476
Energy: 0.5123192762098985

minimum gb energy = 0.3192319508507965 eV
minimum distance =  2.49095378409849 Angstroms
sigma value = 15


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

Energy: 0.4450997282980571
Energy: 0.4812939156774894
Energy: 0.6153822628553011
Energy: 0.48129391567907936
Energy: 0.5225467027012561
Energy: 0.46582870213611227
Energy: 0.31006169031650127
Energy: 0.46582870213399236
Energy: 0.3194182461994161
Energy: 0.30963539631185755
Energy: 0.4108861666042265
Energy: 0.30963539630920767
Energy: 0.500110913970961
Energy: 0.39942980044569554
Energy: 0.3100531700708748
Energy: 0.3994298004446356
Energy: 0.3079827143081222
Energy: 0.48300058637450644
Energy: 0.30082018748959666
Energy: 0.4830005863755664
Energy: 0.5000111424187145
Energy: 0.3992894427323659
Energy: 0.3100477972263032
Energy: 0.3992894427339558
Energy: 0.30957548009187846
Energy: 0.3140301352477819
Energy: 0.3385178025679848
Energy: 0.31403013524672196
Energy: 0.368722808909133
Energy: 0.31392791318158375
Energy: 0.3100837880641363
Energy: 0.3139279131799938
Energy: 0.31115014658053164
Energy: 0.48231840408412724
Energy: 0.48793515662486897
Energy: 0.48231840408306725
Energy: 0.3005019675360555
Energy: 0.46667134239560293
Energy: 0.30843422567182743
Energy: 0.4666713423966629
Energy: 0.3095469636542678
Energy: 0.4665044441668569
Energy: 0.5136232906068001
Energy: 0.466504444165267
Energy: 0.3021559282470208
Energy: 0.30956552738099374
Energy: 0.3198159124683599
Energy: 0.3095655273799338
Energy: 0.3114151500851599
Energy: 0.4855419297250895
Energy: 0.568980485873987
Energy: 0.4855419297240296
Energy: 0.30185494697829923
Energy: 0.4808766557863249
Energy: 0.4454878720771848
Energy: 0.480876655784735
Energy: 0.30956891582913254
Energy: 0.4658489351595252
Energy: 0.5649231494526705
Energy: 0.46584893516005516
Energy: 0.3787443627599473
Energy: 0.30944072178287907
Energy: 0.31971649188320916
Energy: 0.30944072178181914
Energy: 0.3112199467894062
Energy: 0.48524657967442025
Energy: 0.5005375544285733
Energy: 0.48524657967389023
Energy: 0.3914496672912199
Energy: 0.48350683610681644
Energy: 0.3083867518352704
Energy: 0.48350683610681644
Energy: 0.30960816184226325
Energy: 0.46568626294900883
Energy: 0.4342704066207936
Energy: 0.46568626294900883
Energy: 0.38820640466424694
Energy: 0.4665956038178197
Energy: 0.31010742026390653
Energy: 0.4665956038167598
Energy: 0.31135779044955664
Energy: 0.4770212906023073
Energy: 0.36958886807856167
Energy: 0.4770212906007174
Energy: 0.38154840968155834
Energy: 0.48608478960491197
Energy: 0.3129756673644034
Energy: 0.48608478960491197
Energy: 0.3095280402873226
Energy: 0.4655759313124689
Energy: 0.3003395413458042
Energy: 0.46557593131034897
Energy: 0.5176003393931523
Energy: 0.4656335042156454
Energy: 0.310056964004984
Energy: 0.4656335042145855
Energy: 0.3209964952446857
Energy: 0.4781034248361796
Energy: 0.3021472723908855
Energy: 0.47810342483670953
Energy: 0.5044542255617244
Energy: 0.48565567281310357
Energy: 0.313084754358862
Energy: 0.4856556728125736
Energy: 0.4466517890603434
Energy: 0.4788919994122726
Energy: 0.3019525838304559
Energy: 0.4788919994122726
Energy: 0.5631505984278483
Energy: 0.46579502122194033
Energy: 0.3099682165712697
Energy: 0.46579502122194033
Energy: 0.32104521885231757
Energy: 0.4960092802654188
Energy: 0.3055215221214611
Energy: 0.4960092802632989
Energy: 0.43740563932968335
Energy: 0.48514736237815226
Energy: 0.31310551898209926
Energy: 0.48514736237656236
Energy: 0.30965908869313186
Energy: 0.4831988834532518
Energy: 0.3909376563272612
Energy: 0.48319888345272183
Energy: 0.4339568854169821
Energy: 0.4662721490404901
Energy: 0.3100938057845414
Energy: 0.4662721490404901
Energy: 0.3112198241448113
Energy: 0.4958521006797995
Energy: 0.38839334030395795
Energy: 0.4958521006803294
Energy: 0.3018896961028808
Energy: 0.4777033319591173
Energy: 0.3131421926490374
Energy: 0.47770333195805736
Energy: 0.308197729565089
Energy: 0.4831832719362693
Energy: 0.3816209497782216
Energy: 0.48318327193573934
Energy: 0.3007134119862701
Energy: 0.46623860975945336
Energy: 0.31144248109542405
Energy: 0.4662386097589234
Energy: 0.311174085534593
Energy: 0.49591810526524815
Energy: 0.5170242393312522
Energy: 0.49591810526471813

minimum gb energy = 0.3003395413458042 eV
minimum distance =  2.56531847112236 Angstroms
sigma value = 85


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

Energy: 0.41698380376717953
Energy: 0.4497382126193047
Energy: 0.503537462237733
Energy: 0.4497382126193047
Energy: 0.5248053430874224
Energy: 0.4311297968450176
Energy: 0.28409350002512984
Energy: 0.431129796844558
Energy: 0.4009037203427302
Energy: 0.4146366357657995
Energy: 0.39412672218402695
Energy: 0.4146366357657995
Energy: 0.4993687378656429
Energy: 0.431081192547672
Energy: 0.2841068985950474
Energy: 0.4310811925485913
Energy: 0.2959079180538834
Energy: 0.2854682116051096
Energy: 0.27272235832562863
Energy: 0.28546821160556923
Energy: 0.44408065528043417
Energy: 0.43169863387037705
Energy: 0.28415540902027037
Energy: 0.4316986338708366
Energy: 0.28216973206453166
Energy: 0.4232382059837569
Energy: 0.3377847413188526
Energy: 0.4232382059833181
Energy: 0.44842606168422694
Energy: 0.4302238873134985
Energy: 0.2841857672309945
Energy: 0.4302238873130389
Energy: 0.2837768102129286
Energy: 0.28877899441642985
Energy: 0.43993327942382476
Energy: 0.2887789944159702
Energy: 0.3298730108117502
Energy: 0.42320364699053614
Energy: 0.28259907394559086
Energy: 0.4232036469909957
Energy: 0.2849963231974435
Energy: 0.431761979517188
Energy: 0.4561905019126971
Energy: 0.43176197951672834
Energy: 0.27412219336783306
Energy: 0.4302334487393832
Energy: 0.2963479786543154
Energy: 0.43023344873984287
Energy: 0.28379293008114587
Energy: 0.28892092512977763
Energy: 0.5130802678989067
Energy: 0.28892092513023726
Energy: 0.33500283977507
Energy: 0.41470558184642586
Energy: 0.40126404575414015
Energy: 0.41470558184642586
Energy: 0.2848395268395452
Energy: 0.43117660246807815
Energy: 0.5573355519822955
Energy: 0.43117660246807815
Energy: 0.27464758285843616
Energy: 0.4497589070994114
Energy: 0.4174081627689101
Energy: 0.4497589071003307
Energy: 0.28377183091176783
Energy: 0.2889831892232562
Energy: 0.5575081500507123
Energy: 0.2889831892227966
Energy: 0.34270248068888637
Energy: 0.4146938893255901
Energy: 0.4012664634889471
Energy: 0.4146938893255901
Energy: 0.2850447484450694
Energy: 0.4312101044261717
Energy: 0.4990100654072975
Energy: 0.43121010442663144
Energy: 0.352380092138736
Energy: 0.4579111591915292
Energy: 0.29632151951142305
Energy: 0.4579111591910695
Energy: 0.2837794843309792
Energy: 0.28907159620862993
Energy: 0.4439807123419986
Energy: 0.28907159620862993
Energy: 0.3501040891088919
Energy: 0.4312618836795125
Energy: 0.2825941960628996
Energy: 0.4312618836795125
Energy: 0.28502991364800767
Energy: 0.4304400587963499
Energy: 0.3867445412445166
Energy: 0.43044005879680963
Energy: 0.34588270178574215
Energy: 0.45513097799132324
Energy: 0.284146539071958
Energy: 0.45513097799178287
Energy: 0.2837950075866064
Energy: 0.35681583881867907
Energy: 0.3297942006689181
Energy: 0.35681583881867907
Energy: 0.45613286987165097
Energy: 0.43161458477742837
Energy: 0.28407034355798455
Energy: 0.43161458477834763
Energy: 0.2975167231036692
Energy: 0.4304061923916277
Energy: 0.2741895095378598
Energy: 0.43040619239208744
Energy: 0.4598436671061848
Energy: 0.45621451268924434
Energy: 0.2842290110696469
Energy: 0.456214512689704
Energy: 0.4024607749982081
Energy: 0.4147660367783641
Energy: 0.2754089437500914
Energy: 0.4147660367788238
Energy: 0.5577447720956081
Energy: 0.43116549579049973
Energy: 0.28407888599754966
Energy: 0.43116549579095936
Energy: 0.41857049463636237
Energy: 0.44970192123295166
Energy: 0.27451477243127664
Energy: 0.4497019212334113
Energy: 0.506349066546082
Energy: 0.45619841736081473
Energy: 0.28421748494961574
Energy: 0.4561984173603551
Energy: 0.40256002630563265
Energy: 0.4148087613273994
Energy: 0.27907279643297345
Energy: 0.4148087613278591
Energy: 0.4984081028054301
Energy: 0.43120601369737555
Energy: 0.28409082985737366
Energy: 0.4312060136978351
Energy: 0.2974938604653297
Energy: 0.45800416704323244
Energy: 0.3522961361184575
Energy: 0.45800416704231317
Energy: 0.3907040955412119
Energy: 0.4543817763872425
Energy: 0.2841559309361046
Energy: 0.45438177638632316
Energy: 0.2838425465503483
Energy: 0.4315399159595958
Energy: 0.35066660609943395
Energy: 0.4315399159595958
Energy: 0.3865940934505879
Energy: 0.4304030084774156
Energy: 0.28397402073444045
Energy: 0.4304030084778752
Energy: 0.28441181885702926
Energy: 0.4585819724719635
Energy: 0.3460063013217028
Energy: 0.45858197247150384
Energy: 0.2755242023898733
Energy: 0.4491903306056147
Energy: 0.28240347002756105
Energy: 0.44919033060515495
Energy: 0.2838646705387014
Energy: 0.43156938214431
Energy: 0.45627092683296505
Energy: 0.43156938214339075
Energy: 0.27350515186568725
Energy: 0.4304575986917267
Energy: 0.2961499418366202
Energy: 0.43045759869218625
Energy: 0.2842734625531448
Energy: 0.45846931652861117
Energy: 0.4598574315120992
Energy: 0.45846931652861117

minimum gb energy = 0.27272235832562863 eV
minimum distance =  2.56597787654797 Angstroms
sigma value = 113


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

Energy: 0.011673005433650714
Energy: 0.012259278791535051
Energy: 0.5896705573262135
Energy: 0.01225927878980755
Energy: 0.5992154363985751
Energy: 0.1755477237314817
Energy: 0.1748623023215436
Energy: 0.1755477237321884
Energy: 0.011673005433650714
Energy: 0.01225927879120133
Energy: 0.5896705573265669
Energy: 0.012259278790160902
Energy: 0.5992154363975543
Energy: 0.175547723731148
Energy: 0.1748623023222503
Energy: 0.1755477237321884
Energy: 0.011673005433650714
Energy: 0.01225927879120133
Energy: 0.5896705573213844
Energy: 0.01225927878980755
Energy: 0.5992154363972009
Energy: 0.175547723731148
Energy: 0.1748623023212099
Energy: 0.1755477237321884

minimum gb energy = 0.011673005433650714 eV
minimum distance =  2.83799270089817 Angstroms
sigma value = 1