Model name: model_name=EAM_Dynamo_NormanStarikovStegailov_2012_Au__MO_592431957881_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.068500682711602
cohesive_energy=4.299700974521185
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.58971609044262e-20, 9.76613175961236e-20, 1.4088371730453179e-19, 1.8959357198438997e-19, 2.4160663423056595e-19, 3.0183405607925996e-19, 3.6785975516639994e-19, 4.3243228004650197e-19, 4.87060094559366e-19, 5.2923899662605e-19, 5.60298792852774e-19, 5.832291448385819e-19, 6.0181759814625e-19, 6.17937097260924e-19, 6.319817776345679e-19, 6.44196772292184e-19, 6.547855576662899e-19, 6.638634904745339e-19, 6.71478636015936e-19, 6.7769668353249e-19, 6.8254326785034e-19, 6.860263998526559e-19, 6.88130057773098e-19, 6.88833413315424e-19, 6.880419380582279e-19, 6.854175727317359e-19, 6.8052292311486595e-19, 6.728324752716659e-19, 6.6195209375017185e-19, 6.47304994962144e-19, 6.2819743642506e-19, 6.039324713031299e-19, 5.738003353474919e-19, 5.366602787947379e-19, 4.90943770720182e-19, 4.34787479698482e-19, 3.6551416857422396e-19, 2.7989064489999596e-19, 1.74606811749954e-19, 4.585317374143619e-20, -1.1396859181230238e-19, -3.141868379274e-19, -5.65933648074552e-19, -8.85582306147258e-19, -1.3019719915575178e-18, -1.8601110503076597e-18, -2.6251183495099795e-18, -3.6775080715528794e-18, -5.14676813199624e-18, -7.23946716426168e-18, -1.0164048348432599e-17, -1.412595879428682e-17, -1.90902550294368e-17, -2.15234806834926e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013092802785604353
Energy: 15.8181469344956
Energy: 0.4319770881754838
Energy: 0.013646049548675768
Energy: 15.818146869855038
Energy: 34.25957859885146
Energy: 0.013646049549170952
Energy: 34.259578598850965
Energy: 0.43197708817207253
Energy: 0.013646049549170952
Energy: 0.013092802785604353
Energy: 15.818148688176693
Energy: 0.013646049548675768
Energy: 34.25957859885146
Energy: 15.81814779661978
Energy: 34.25957859885146

minimum gb energy = 0.013092802785604353 eV
minimum distance =  1.47242936044838 Angstroms
sigma value = 1


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

Energy: 4.389052701989422
Energy: 10.134576992527192
Energy: 0.7266472882954463
Energy: 8.25758360450027
Energy: 10.012107585235142
Energy: 6.262282390309078
Energy: 8.163879491238662
Energy: 6.262282390294665
Energy: 0.7279077562711912
Energy: 8.121504657584527
Energy: 4.455156152542642
Energy: 8.121504656939809
Energy: 8.110191384301066
Energy: 4.382206997496866
Energy: 8.163771257969582
Energy: 4.382206997495664
Energy: 4.343918226603645
Energy: 8.137880855266669
Energy: 2.4649877258296065
Energy: 8.137880855263665
Energy: 8.11190153802907
Energy: 4.379302522547563
Energy: 8.055701689900994
Energy: 4.37930252254516
Energy: 2.465134014949513
Energy: 4.386333530338905
Energy: 4.345233296054539
Energy: 4.386333530338304
Energy: 6.248955616169968
Energy: 0.6609370373709301
Energy: 6.2945161821685
Energy: 0.6609370373721312
Energy: 4.272793920054409
Energy: 6.220609245899964
Energy: 6.101040104691092
Energy: 6.220609245901166
Energy: 6.267338482179358
Energy: 0.6496915515545452
Energy: 6.200229067799879
Energy: 0.6496915515539446
Energy: 4.298301607030016
Energy: 2.503668288597838
Energy: 4.272234657718215
Energy: 2.5036682885966366
Energy: 6.154195243209948
Energy: 2.508116492226528
Energy: 6.251545090380756
Energy: 2.5081164922271286
Energy: 4.24589088364716
Energy: 6.238242471573534
Energy: 8.010044004701593
Energy: 6.238242471574134
Energy: 6.282803976681302
Energy: 2.533957423749955
Energy: 4.400216745423624
Energy: 2.533957423749955
Energy: 4.388404715156765
Energy: 6.32831778011464
Energy: 0.6826212535973927
Energy: 6.328317780114039
Energy: 8.089271323073685
Energy: 6.314824177614947
Energy: 10.012355108511253
Energy: 6.3148241776167495
Energy: 0.7276435758716209
Energy: 10.122942992638812
Energy: 8.089473545779583
Energy: 10.122942992640013
Energy: 8.164255086629746
Energy: 6.262406109439021
Energy: 8.127999700757385
Energy: 6.262406109646702
Energy: 4.452472243521081
Energy: 8.12386031914291
Energy: 0.7275194630906938
Energy: 8.123860319138107
Energy: 8.109260341720034
Energy: 8.126846718173615
Energy: 8.112130727067392
Energy: 8.126846718172414
Energy: 2.4667198570715683
Energy: 8.139965669816364
Energy: 4.344001517157249
Energy: 8.139965669816966
Energy: 4.429170651464394
Energy: 4.379248844345416
Energy: 8.109975136118122
Energy: 4.379248844344215
Energy: 4.345202569677969
Energy: 4.3863794650541825
Energy: 2.46423315848599
Energy: 4.3863794650541825
Energy: 8.05495206512628
Energy: 4.3839830791091
Energy: 6.252064825328465
Energy: 4.3839830791091
Energy: 6.103181456509146
Energy: 6.220357036487345
Energy: 4.272809540968667
Energy: 6.220357036487345
Energy: 2.5078670389879987
Energy: 0.6490720969843491
Energy: 6.268007246169054
Energy: 0.6490720969849496
Energy: 4.272290356688137
Energy: 2.5048333846584456
Energy: 4.301567786530353
Energy: 2.5048333846590465
Energy: 6.172744287926376
Energy: 2.507337709056323
Energy: 6.15423113763779
Energy: 2.5073377090545215
Energy: 8.007862032743747
Energy: 6.237311505598411
Energy: 4.245705074871387
Energy: 6.23731150559721
Energy: 4.394975013026603
Energy: 2.533283349542196
Energy: 6.285597257251441
Energy: 2.5332833495427964
Energy: 0.6805766643611181
Energy: 6.321364529393313
Energy: 4.387427551920108
Energy: 6.321364529391511
Energy: 6.343698906321421
Energy: 6.3165173337114995
Energy: 8.089837516014596
Energy: 6.316517333712701
Energy: 8.100464117743964
Energy: 10.11657487111612
Energy: 0.7294941007470481
Energy: 10.11657487111612

minimum gb energy = 0.6490720969843491 eV
minimum distance =  0.00163601490010548 Angstroms
sigma value = 1


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

Energy: 4.981995504806425
Energy: 11.446842050422932
Energy: 0.7557702972966092
Energy: 9.244500599312465
Energy: 11.33565890024328
Energy: 7.070060022237602
Energy: 9.229800822083316
Energy: 7.070060022236917
Energy: 0.7552509190085231
Energy: 9.245536484537697
Energy: 4.9179590152547314
Energy: 9.245536484532904
Energy: 9.155618092952846
Energy: 4.952953748953517
Energy: 9.229786344426422
Energy: 4.952953748954202
Energy: 4.918776854688367
Energy: 9.156434203541863
Energy: 2.739225858132215
Energy: 9.156434203536385
Energy: 9.156688256530954
Energy: 4.915152102976584
Energy: 4.924316908155146
Energy: 4.915152102975898
Energy: 2.7486853316381175
Energy: 7.019467264527739
Energy: 4.814414294938248
Energy: 7.019467264531163
Energy: 7.006598437086005
Energy: 0.6848216847728658
Energy: 7.090999769901707
Energy: 0.6848216847687575
Energy: 4.81535957748774
Energy: 6.960646371456861
Energy: 4.779623839134086
Energy: 6.96064637146097
Energy: 6.98775582677362
Energy: 2.773310985599479
Energy: 2.800839474969637
Energy: 2.7733109855953706
Energy: 4.8529150057466
Energy: 6.973874186143101
Energy: 4.772942026569461
Energy: 6.9738741861424165
Energy: 4.852329731368299
Energy: 2.8166903406273205
Energy: 7.0973298965280796
Energy: 2.816690340658102
Energy: 0.7077428374777035
Energy: 7.093421976659579
Energy: 4.851957908318107
Energy: 7.093421976660264
Energy: 7.138936584547286
Energy: 7.0927872112700365
Energy: 4.977247943688935
Energy: 7.092787211269353
Energy: 4.980168822397657
Energy: 11.339609597747778
Energy: 0.7556801854744329
Energy: 11.339609597744355
Energy: 9.210547561249264
Energy: 7.0710006137836094
Energy: 9.230083367223745
Energy: 7.071000613785664
Energy: 0.7579875836617728
Energy: 9.246201087279335
Energy: 4.917186587528425
Energy: 9.246201087273858
Energy: 5.006349179789822
Energy: 4.951779335388854
Energy: 5.002627847462271
Energy: 4.951779335390908
Energy: 4.918836896928077
Energy: 9.156640023041836
Energy: 2.7355422046797835
Energy: 9.156640023042522
Energy: 9.15522723346541
Energy: 4.915055025342429
Energy: 7.066910378811915
Energy: 4.915055025337636
Energy: 2.744679856116853
Energy: 7.016980451133735
Energy: 4.814263602086017
Energy: 7.016980451129626
Energy: 7.005898154296599
Energy: 0.6973582613230962
Energy: 4.923893780460115
Energy: 0.6973582613230962
Energy: 4.815494018581682
Energy: 6.960394038458995
Energy: 4.781683335019069
Energy: 6.96039403845968
Energy: 6.98720825640983
Energy: 2.772771022122257
Energy: 6.896162728291975
Energy: 2.772771022123626
Energy: 4.8556995919405574
Energy: 6.976136921984023
Energy: 4.772571510076859
Energy: 6.976136921978544
Energy: 4.85198281918179
Energy: 2.816174821339214
Energy: 7.0741734129716445
Energy: 2.8161748213426376
Energy: 0.7059100762662285
Energy: 7.093158826687131
Energy: 4.8543769816657685
Energy: 7.093158826689185
Energy: 7.140805917515765
Energy: 7.09270210430969
Energy: 4.975956877654413
Energy: 7.09270210430832
Energy: 4.977575512911185
Energy: 11.341345863337699
Energy: 0.7563300178308414
Energy: 11.341345863328796

minimum gb energy = 0.6848216847687575 eV
minimum distance =  0.00137986891881091 Angstroms
sigma value = 25


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

Energy: 5.594304737892121
Energy: 8.124852296770737
Energy: 0.7873889084844417
Energy: 5.672298217843294
Energy: 8.202037799723321
Energy: 8.130056471374228
Energy: 10.592595067706851
Energy: 8.130056471374228
Energy: 0.7868751167947587
Energy: 10.663847983023492
Energy: 0.8141181593229317
Energy: 10.663847983025084
Energy: 5.699738651404279
Energy: 5.649836152814273
Energy: 10.588200214501468
Energy: 5.649836152814273
Energy: 5.536247080356833
Energy: 5.648512713345949
Energy: 3.0913010499232385
Energy: 5.648512713343597
Energy: 5.700476154851974
Energy: 0.759849505095219
Energy: 8.072908339136605
Energy: 0.7598495050936269
Energy: 3.1088816580020806
Energy: 8.033935387497483
Energy: 0.7636353959485035
Energy: 8.03393538747201
Energy: 3.109547831687409
Energy: 0.7370772066587215
Energy: 8.076540666348265
Energy: 0.7370772066603134
Energy: 5.4652050281521865
Energy: 3.1628261691671704
Energy: 5.481056384173317
Energy: 3.162826169166374
Energy: 8.077473347918838
Energy: 3.1628286805961223
Energy: 7.949622280729929
Energy: 3.1628286805969177
Energy: 5.595917297031992
Energy: 8.07605496549248
Energy: 0.7358918468884678
Energy: 8.076054965477358
Energy: 5.5962317352167315
Energy: 3.192884831000906
Energy: 8.203692881314515
Energy: 3.1928848310017015
Energy: 0.787161770259828
Energy: 8.125549823162743
Energy: 5.595201236921312
Energy: 8.125549823160355
Energy: 10.588148334164089
Energy: 8.128626238687021
Energy: 10.55957275339574
Energy: 8.128626238683838
Energy: 0.7300872338736415
Energy: 10.647078109335546
Energy: 0.7892276003062665
Energy: 10.647078109337933
Energy: 5.696301106259563
Energy: 5.66530438870761
Energy: 5.697679423649758
Energy: 5.665304388709202
Energy: 3.088761197346027
Energy: 5.648689328904187
Energy: 5.536992954002692
Energy: 5.648689328904187
Energy: 8.073811664002971
Energy: 5.6498043980609385
Energy: 5.698834822280537
Energy: 5.649804398060143
Energy: 0.7416230241173976
Energy: 8.03454515585438
Energy: 3.1109014696294786
Energy: 8.034545155855177
Energy: 8.074451369835668
Energy: 3.1140668547271693
Energy: 3.1095637834917778
Energy: 3.114066854727965
Energy: 5.477760611578042
Energy: 3.1633351871881774
Energy: 5.464785518997545
Energy: 3.163335187188973
Energy: 5.477789751893695
Energy: 3.163570646787047
Energy: 3.2226671983029718
Energy: 3.1635706467846587
Energy: 0.7314601975869197
Energy: 8.075979377572985
Energy: 5.598434860286142
Energy: 8.075979377581739
Energy: 8.164092695507197
Energy: 8.076138662976573
Energy: 5.59520030350102
Energy: 8.076138662978163
Energy: 5.597211602040106
Energy: 8.124851730217056
Energy: 0.788009810090716
Energy: 8.124851730210688

minimum gb energy = 0.7300872338736415 eV
minimum distance =  0.00211429454747595 Angstroms
sigma value = 9


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

Energy: 0.9505393621305204
Energy: 9.645861209824524
Energy: 0.8186811366202656
Energy: 6.657027757691051
Energy: 9.587761893870107
Energy: 6.637828907872119
Energy: 12.452387909047433
Energy: 6.637828907872119
Energy: 0.8176046625049953
Energy: 12.501648835565627
Energy: 6.554649383528778
Energy: 12.501648835564678
Energy: 6.5576238072605255
Energy: 6.638015540309358
Energy: 6.718369101889655
Energy: 6.638015540309358
Energy: 0.752429245434873
Energy: 6.556264783890318
Energy: 3.5632730389721914
Energy: 6.556264783889368
Energy: 9.608510670282294
Energy: 0.7711629503549918
Energy: 9.442279598666968
Energy: 0.7711629503578405
Energy: 0.7690674298981345
Energy: 9.39571732762319
Energy: 6.419331832995824
Energy: 9.395717327622242
Energy: 3.614547842226165
Energy: 3.6136511416730266
Energy: 3.708320748501856
Energy: 3.613651141674926
Energy: 0.7587958523491167
Energy: 9.422125293224655
Energy: 6.4545006104769245
Energy: 9.422125293222757
Energy: 9.588069716682206
Energy: 3.6828016266305323
Energy: 6.450681342347352
Energy: 3.6828016266276835
Energy: 0.7368441301822392
Energy: 9.5880230858343
Energy: 0.8193677510538169
Energy: 9.588023085840947
Energy: 6.660798553835472
Energy: 9.594112799556317
Energy: 6.7183642821099925
Energy: 9.594112799556317
Energy: 0.8187992095898531
Energy: 12.451921142512294
Energy: 6.555518990354738
Energy: 12.451921142509446
Energy: 6.557403001436196
Energy: 6.638360229737995
Energy: 6.5557872674277995
Energy: 6.638360229740845
Energy: 0.7528713364731386
Energy: 6.555783734859121
Energy: 3.563455045203953
Energy: 6.555783734859121
Energy: 6.557159913670744
Energy: 6.575493818496901
Energy: 3.5636233049420225
Energy: 6.575493818496901
Energy: 0.7645442412893758
Energy: 9.396067155436494
Energy: 6.418941614249577
Energy: 9.396067155436494
Energy: 0.7634144978941834
Energy: 3.6193599818429343
Energy: 9.466428803068249
Energy: 3.6193599818438837
Energy: 0.7613319579310793
Energy: 3.7217188752141857
Energy: 6.450696117385112
Energy: 3.7217188752141857
Energy: 3.7690006878515288
Energy: 3.720103646552649
Energy: 6.450900996988602
Energy: 3.720103646552649
Energy: 0.7379561504051488
Energy: 9.594518577870575
Energy: 0.820750005466015
Energy: 9.594518577871526

minimum gb energy = 0.7368441301822392 eV
minimum distance =  0.000300945736602792 Angstroms
sigma value = 25


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

Energy: 0.8539174503825384
Energy: 11.627991008470195
Energy: 0.8463621683809808
Energy: 7.915366407513369
Energy: 11.628476268614898
Energy: 8.062335043792167
Energy: 8.032840877598874
Energy: 8.062335043792167
Energy: 4.517259565037301
Energy: 8.066195956744865
Energy: 7.832981937746975
Energy: 8.06619595674369
Energy: 11.564308189035701
Energy: 8.062682837276435
Energy: 8.033835116013746
Energy: 8.062682837278784
Energy: 0.7555194649811119
Energy: 11.545687896975611
Energy: 4.253305378529032
Energy: 11.545687896974437
Energy: 11.633327782916355
Energy: 4.251527643859493
Energy: 4.2511124707826085
Energy: 4.251527643860667
Energy: 7.75648494151749
Energy: 4.3764012990521595
Energy: 7.924027232041449
Energy: 4.376401299053334
Energy: 0.7469516597682134
Energy: 4.377308174714496
Energy: 4.447657531309193
Energy: 4.377308174716845
Energy: 0.8456495761252343
Energy: 11.6271845230097
Energy: 7.9179227930445455
Energy: 11.6271845230097
Energy: 8.034953034914135
Energy: 4.440122014760339
Energy: 7.914587788235919
Energy: 4.4401220147615135
Energy: 7.834364665504175
Energy: 8.066983059284386
Energy: 0.8493463520324656
Energy: 8.066983059285562
Energy: 0.8458685257840465
Energy: 8.064936029296225
Energy: 11.564411348077039
Energy: 8.06493602931384
Energy: 4.250896416054083
Energy: 11.545699249763139
Energy: 0.7551333750908368
Energy: 11.545699249763139
Energy: 4.253294924157876
Energy: 4.251061325325979
Energy: 7.8339305719612256
Energy: 4.251061325327154
Energy: 7.929887059973353
Energy: 4.377936842773561
Energy: 7.751560976683169
Energy: 4.377936842774735
Energy: 4.444622256591845
Energy: 4.376415512312927
Energy: 7.751508076728644
Energy: 4.376415512311753
Energy: 7.914486134539298
Energy: 11.628068902683104
Energy: 4.347599160509195
Energy: 11.628068902684278

minimum gb energy = 0.7469516597682134 eV
minimum distance =  0.00445934327702962 Angstroms
sigma value = 17


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

Energy: 4.967641946374018
Energy: 11.124106235169073
Energy: 0.9170712317739432
Energy: 9.021434467526882
Energy: 11.125228843389449
Energy: 9.080574854351948
Energy: 8.922016181569804
Energy: 9.080574854244931
Energy: 2.8632972101430716
Energy: 8.922577142148924
Energy: 4.887082924480572
Energy: 8.922577142148924
Energy: 6.824047708634435
Energy: 0.8219014458427122
Energy: 8.922030925656026
Energy: 0.8219014458427122
Energy: 4.760081984292625
Energy: 6.8386331124377575
Energy: 4.7219793809271335
Energy: 6.8386331124377575
Energy: 6.999370181720221
Energy: 2.7868930331541306
Energy: 6.724303905677915
Energy: 2.7868930321788956
Energy: 4.797126012541606
Energy: 6.98422353072674
Energy: 0.8089154057262138
Energy: 6.98422353072674
Energy: 8.82080923710785
Energy: 6.98572730777482
Energy: 9.084567454667141
Energy: 6.9857273077768145
Energy: 0.9207830558421274
Energy: 9.107306020358543
Energy: 4.882993717722534
Energy: 9.107306020357878
Energy: 4.8842389520996825
Energy: 9.104182109530104
Energy: 4.9324677271141075
Energy: 9.10418210952811
Energy: 4.7584486873155365
Energy: 4.879120598779514
Energy: 2.7428773139432225
Energy: 4.879120598778848
Energy: 4.886789122522215
Energy: 6.839583317242458
Energy: 2.7413380568342998
Energy: 6.839583317243789
Energy: 4.800934494061517
Energy: 2.8746861648818713
Energy: 4.793122858615501
Energy: 2.8746861648812065
Energy: 4.797148302189145
Energy: 6.814277797818123
Energy: 2.868191879682935
Energy: 6.814277797817459
Energy: 2.922759056386944
Energy: 7.013218275179159
Energy: 4.964521676382596
Energy: 7.013218275178493
Energy: 0.9197279670422621
Energy: 11.126003329783567
Energy: 4.964038441170085
Energy: 11.126003329786226
Energy: 4.882073639668648
Energy: 8.92262193388146
Energy: 7.022812099586131
Energy: 8.922621933884122
Energy: 4.883555353137532
Energy: 4.867843225887883
Energy: 2.866165118718469
Energy: 4.867843225887883
Energy: 2.7857152033655757
Energy: 4.761882642525912
Energy: 4.760555075810507
Energy: 4.761882642525247
Energy: 4.7162890430250375
Energy: 2.816229674829959
Energy: 4.763017078082928
Energy: 2.816229674831954
Energy: 2.7875834186250383
Energy: 2.8399857460895257
Energy: 4.970996662195683
Energy: 2.8399857460855356
Energy: 0.811513156403105
Energy: 6.986735654582799
Energy: 4.801301976010127
Energy: 6.986735654582799
Energy: 4.933070329307002
Energy: 9.104078730156486
Energy: 7.000383346069185
Energy: 9.104078730157152
Energy: 4.882537596718936
Energy: 9.107746178059516
Energy: 0.9187843788215633
Energy: 9.107746178060182
Energy: 9.083161917281172
Energy: 4.874775971440743
Energy: 8.776529514666409
Energy: 4.874775971440077
Energy: 2.7465135152505535
Energy: 6.840490296268907
Energy: 4.759341543542398
Energy: 6.840490296302826
Energy: 6.784074304846427
Energy: 0.7700862485431393
Energy: 7.014965563795366
Energy: 0.7700862485444695
Energy: 4.7949226379825145
Energy: 6.814501521000993
Energy: 4.799234158780433
Energy: 6.814501521000993
Energy: 7.022299830754969
Energy: 2.885896897703861
Energy: 4.804041700491665
Energy: 2.885896897703196
Energy: 4.966820740661495
Energy: 11.127037844404352
Energy: 0.9162960773202897
Energy: 11.127037844403686

minimum gb energy = 0.7700862485431393 eV
minimum distance =  0.00222531857772721 Angstroms
sigma value = 53


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

Energy: 9.9157621142045
Energy: 5.566163229666533
Energy: 0.8340219426368543
Energy: 0.6899898530150265
Energy: 5.704419688543372
Energy: 10.168980378014874
Energy: 10.157968038818266
Energy: 10.168980378013345
Energy: 5.64018552752912
Energy: 10.156508736607766
Energy: 0.8349678900240505
Energy: 10.156508736606234
Energy: 14.706049078125345
Energy: 0.7489668358363549
Energy: 15.124089397724264
Energy: 0.748966835837886
Energy: 10.113534579534056
Energy: 5.310240533626746
Energy: 0.6903132557349952
Energy: 5.310240533628242
Energy: 5.706284673839382
Energy: 5.3087418795523105
Energy: 0.6882237798678502
Energy: 5.308741879553842
Energy: 9.920031143466998
Energy: 5.515575523393535
Energy: 0.8360803201821344
Energy: 5.515575523392004
Energy: 9.91592581669986
Energy: 5.5152158370610875
Energy: 10.157934099871444
Energy: 5.51521583706415
Energy: 5.64610080957847
Energy: 10.157143119678482
Energy: 0.8356582492872096
Energy: 10.157143119673886
Energy: 5.643997119567576
Energy: 10.169020748942472
Energy: 10.157783130885589
Energy: 10.169020748944003
Energy: 10.113234688237103
Energy: 5.309097412482772
Energy: 0.689059629053173
Energy: 5.309097412481241
Energy: 10.112995541261046
Energy: 5.310809925704238
Energy: 0.6955730650760468
Energy: 5.310809925707299
Energy: 9.915909985773585
Energy: 5.515229183468218
Energy: 5.309310637878645
Energy: 5.515229183468218

minimum gb energy = 0.6882237798678502 eV
minimum distance =  0.00330049993999482 Angstroms
sigma value = 9


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

Energy: 4.313262573691825
Energy: 9.6750363778691
Energy: 0.9557065912490046
Energy: 7.916350262899388
Energy: 9.68354341146665
Energy: 7.811918848743169
Energy: 7.677386122995619
Energy: 7.811918848744303
Energy: 2.482579418467308
Energy: 7.675702240510492
Energy: 4.248422987340612
Energy: 7.675702240510492
Energy: 2.470760188158587
Energy: 0.7663917694558745
Energy: 6.229563836523042
Energy: 0.766391769456441
Energy: 4.221022355482522
Energy: 6.021944141190146
Energy: 7.608156971525466
Energy: 6.0219441411895795
Energy: 7.985355089859588
Energy: 6.0225455739859575
Energy: 7.606873724057723
Energy: 6.022545573983692
Energy: 4.402031347310484
Energy: 7.909863400624495
Energy: 0.9588124942274531
Energy: 7.909863400635828
Energy: 4.400949896925854
Energy: 7.876055811737191
Energy: 4.249070693109942
Energy: 7.876055811738325
Energy: 2.484284222211693
Energy: 4.185420197249519
Energy: 4.18000733394738
Energy: 4.185420197252919
Energy: 4.179839024592165
Energy: 2.4768668174001007
Energy: 4.257764250616312
Energy: 2.476866817401234
Energy: 2.474929255035787
Energy: 6.1109111820056095
Energy: 7.771000921134284
Energy: 6.110911182002774
Energy: 0.8342619195910685
Energy: 9.483859554360496
Energy: 4.312619658667525
Energy: 9.483859554361064
Energy: 7.686359473272138
Energy: 7.8353553223814085
Energy: 6.219307998580956
Energy: 7.835355322380276
Energy: 7.682314278898911
Energy: 7.83685949010462
Energy: 2.573466870576087
Energy: 7.836859490104053
Energy: 6.2775414982637585
Energy: 0.8096562680257171
Energy: 5.920367588119277
Energy: 0.8096562680257171
Energy: 4.180390702024222
Energy: 5.889719977348383
Energy: 4.182057474619511
Energy: 5.889719977346684
Energy: 5.903163338530045
Energy: 6.059885462090537
Energy: 9.68470652040578
Energy: 6.059885462093372
Energy: 0.9525722499759318
Energy: 9.674652014955187
Energy: 4.313019935646435
Energy: 9.674652014959154
Energy: 7.679323887819031
Energy: 7.807750217890489
Energy: 7.959170102419973
Energy: 7.807750217894455
Energy: 4.24822064622427
Energy: 7.6756110258133186
Energy: 2.484579239371468
Energy: 7.675611025812752
Energy: 7.676994942262106
Energy: 0.7689142677132038
Energy: 2.4721657050238135
Energy: 0.7689142677171705
Energy: 7.605437843688961
Energy: 6.021952132262531
Energy: 4.222250870959704
Energy: 6.021952132262531
Energy: 7.605741109961125
Energy: 6.023702415006975
Energy: 4.432189216911224
Energy: 6.023702415005275
Energy: 2.6753906086896375
Energy: 7.914540413259474
Energy: 4.401815034300265
Energy: 7.914540413258341
Energy: 0.9527476800368333
Energy: 7.877819154723489
Energy: 4.400250166893201
Energy: 7.877819154726322
Energy: 4.179834745459065
Energy: 4.186843546639245
Energy: 2.4827269223587805
Energy: 4.186843546609777
Energy: 4.2552355608740875
Energy: 6.029914264890377
Energy: 4.18072779222003
Energy: 6.02991426488981
Energy: 7.755095538792839
Energy: 6.09597241458318
Energy: 2.4746481717173117
Energy: 6.0959724145837475
Energy: 4.312666638416273
Energy: 9.484428916944452
Energy: 0.8306024461815741
Energy: 9.484428916943319
Energy: 6.233059225379938
Energy: 7.835654225643294
Energy: 4.403077035337762
Energy: 7.835654225643861
Energy: 2.574311484342539
Energy: 7.837480437089923
Energy: 4.24744976827116
Energy: 7.837480437089923
Energy: 5.922274135617373
Energy: 0.8081987904737802
Energy: 6.257988706146288
Energy: 0.8081987904732135
Energy: 4.181259997154083
Energy: 2.582603239029038
Energy: 4.181751523463403
Energy: 2.5826032390313047
Energy: 9.686002688381208
Energy: 2.5618338337370608
Energy: 4.191250598364944
Energy: 2.561833833736494
Energy: 4.3121313820618505
Energy: 9.67459466364235
Energy: 0.9540155628417123
Energy: 9.67459466364235

minimum gb energy = 0.7663917694558745 eV
minimum distance =  0.00553528041709613 Angstroms
sigma value = 73


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

Energy: 6.258617493288239
Energy: 7.883121557346883
Energy: 0.9047999233933066
Energy: 6.463716029028276
Energy: 7.868080887137675
Energy: 5.003807106388624
Energy: 5.03767215402606
Energy: 5.003807106388624
Energy: 2.144877814222771
Energy: 4.9662932467198795
Energy: 6.191772111188083
Energy: 4.96629324674863
Energy: 2.1259979008166034
Energy: 2.128916805570382
Energy: 6.487188236149555
Energy: 2.128916805571281
Energy: 4.8857348910603084
Energy: 7.632567247385647
Energy: 6.258901614942998
Energy: 7.632567247381151
Energy: 5.210715707178392
Energy: 2.2208144507231915
Energy: 6.258455700722472
Energy: 2.2208144507231915
Energy: 6.394326960175461
Energy: 10.518715708718322
Energy: 0.950378488788178
Energy: 10.518715708716526
Energy: 6.395203210173783
Energy: 4.8972215520959725
Energy: 2.2964632859332847
Energy: 4.8972215520959725
Energy: 2.193964132563019
Energy: 6.241787506605091
Energy: 4.838053872132204
Energy: 6.241787506605989
Energy: 6.187391821988819
Energy: 2.1975160887996332
Energy: 4.838035202660815
Energy: 2.1975160887996332
Energy: 2.1897778653972035
Energy: 6.403125281001266
Energy: 6.459082998141041
Energy: 6.4031252809994665
Energy: 0.8126557027254812
Energy: 6.415611569946488
Energy: 6.191794949981229
Energy: 6.41561156994559
Energy: 0.9308758547005009
Energy: 5.011364709867603
Energy: 6.461661682558371
Energy: 5.011364709869401
Energy: 6.195165325629105
Energy: 6.35183393427933
Energy: 2.1270768931070707
Energy: 6.35183393427933
Energy: 5.035869195545786
Energy: 0.8174320652773093
Energy: 6.198631251712043
Energy: 0.8174320652773093
Energy: 6.260220819937957
Energy: 7.631449889895564
Energy: 0.8248934183385964
Energy: 7.631449889895564
Energy: 6.261414013758952
Energy: 6.377029008011464
Energy: 10.519939519512553
Energy: 6.3770290080123635
Energy: 0.9151835591821353
Energy: 10.518590219467432
Energy: 6.39188365341697
Energy: 10.518590219467432
Energy: 6.217574075631515
Energy: 4.950868651354576
Energy: 6.392809000054113
Energy: 4.950868651356374
Energy: 4.844629478488142
Energy: 6.246705201686855
Energy: 2.1905785202695855
Energy: 6.246705201685956
Energy: 4.841381613190394
Energy: 2.132042383962137
Energy: 6.189225655071019
Energy: 2.1320423839612377
Energy: 1.004864576778864
Energy: 7.786067481571703
Energy: 2.188554917044299
Energy: 7.7860674815582165

minimum gb energy = 0.8126557027254812 eV
minimum distance =  0.000522623870739971 Angstroms
sigma value = 7


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

Energy: 4.820641562382931
Energy: 10.643402753213993
Energy: 0.9242397928022349
Energy: 8.68362270912301
Energy: 10.648592814137487
Energy: 8.676857317330525
Energy: 8.500282687141844
Energy: 8.676857317329253
Energy: 2.691644401545472
Energy: 4.720214085356513
Energy: 4.622170143035929
Energy: 4.7202140853546055
Energy: 2.690270385351659
Energy: 2.708787040187824
Energy: 6.786706035172209
Energy: 2.708787040190367
Energy: 0.8080744610864925
Energy: 6.738702901438115
Energy: 4.640010436780359
Energy: 6.738702901437479
Energy: 4.834193882267623
Energy: 6.738046621035125
Energy: 4.642273510750598
Energy: 6.738046621037668
Energy: 4.730102743978929
Energy: 8.589089383212807
Energy: 2.840269581923444
Energy: 8.589089383214079
Energy: 4.735157881666311
Energy: 4.743925875354206
Energy: 2.7299580911639167
Energy: 4.743925875370735
Energy: 6.573615346315179
Energy: 2.7983987213564716
Energy: 4.618765159499092
Energy: 2.7983987213552
Energy: 4.635194044255785
Energy: 6.569311327818503
Energy: 0.7893508621331178
Energy: 6.569311327815961
Energy: 6.564701384786232
Energy: 10.562095399594533
Energy: 8.591472144774713
Energy: 10.562095399591353
Energy: 0.9140417362800866
Energy: 8.678459197957245
Energy: 4.728233314117014
Energy: 8.678459198052579
Energy: 4.627830782636558
Energy: 0.796383528373644
Energy: 8.721505538872922
Energy: 0.796383528373644
Energy: 4.624415237332604
Energy: 6.628122890873721
Energy: 4.608272083052575
Energy: 6.628122890991279
Energy: 6.79552220657908
Energy: 2.7407924314369976
Energy: 4.612594801591948
Energy: 2.740792431435726
Energy: 4.818754364984939
Energy: 10.643976859143624
Energy: 0.914239544509438
Energy: 10.643976859144898
Energy: 4.8282097144959915
Energy: 6.62501595576664
Energy: 4.7316785169128615
Energy: 6.625015955767912
Energy: 2.6976347474988676
Energy: 4.719675214553486
Energy: 4.621793352930141
Energy: 4.719675214552214
Energy: 2.696023362371863
Energy: 2.6938880672481162
Energy: 4.729962285603913
Energy: 2.6938880672487517
Energy: 2.7103862938927388
Energy: 6.7420435434051145
Energy: 8.493759517724394
Energy: 6.7420435434044785
Energy: 0.7907370545652619
Energy: 6.736777375359142
Energy: 4.63679632801173
Energy: 6.736777375361049
Energy: 4.731523460939297
Energy: 8.589910868987879
Energy: 6.759158850569761
Energy: 8.589910868991057
Energy: 4.730949056858081
Energy: 8.589174758077249
Energy: 2.7236177823869867
Energy: 8.589174758080427
Energy: 10.672983533240055
Energy: 0.8098561656596157
Energy: 6.539610942035053
Energy: 0.8098561656564369
Energy: 4.635924936798811
Energy: 6.564538255752758
Energy: 4.620251136622139
Energy: 6.564538255750851
Energy: 4.637799696719768
Energy: 6.717099629316712
Energy: 8.72003676880615
Energy: 6.717099629350378
Energy: 0.9238141488825075
Energy: 8.780493803324083
Energy: 4.728685787667684
Energy: 8.780493803318997
Energy: 4.631786608526609
Energy: 4.674263719130381
Energy: 8.719910558488184
Energy: 4.674263719132288
Energy: 4.623886166163533
Energy: 6.628051060813749
Energy: 6.566486502186561
Energy: 6.628051060812477
Energy: 6.721242891401124
Energy: 2.7200835462712316
Energy: 4.607855122098533
Energy: 2.72008354626996
Energy: 4.8202569565551014
Energy: 10.643509304688264
Energy: 0.902369889940023
Energy: 10.643509304686992

minimum gb energy = 0.7893508621331178 eV
minimum distance =  0.00552078341398493 Angstroms
sigma value = 29


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

Energy: 0.7585368317908026
Energy: 7.364229560588097
Energy: 0.8433910148491002
Energy: 0.7465916329388341
Energy: 7.362524229867913
Energy: 14.047355752430718
Energy: 14.111948779167795
Energy: 14.047355752430915
Energy: 7.5116816257890795
Energy: 20.78515461859521
Energy: 0.7560980084525958
Energy: 20.78515461859477
Energy: 0.7531996864263616
Energy: 7.511545309481505
Energy: 14.035099510751495
Energy: 7.511545309479341
Energy: 0.7574617934533053
Energy: 7.364922599882173
Energy: 0.7508726269802648
Energy: 7.364922599881755
Energy: 14.11177676646854
Energy: 7.365531074856948
Energy: 0.7519877280175717
Energy: 7.365531074844817
Energy: 0.74911238745427
Energy: 14.111871482703176
Energy: 7.524007677104866
Energy: 14.111871482702956
Energy: 14.111886698808451
Energy: 20.845106275852
Energy: 0.7608957703367606
Energy: 20.845106275852864
Energy: 0.751184035965775
Energy: 7.36368137614927
Energy: 7.509593037568975
Energy: 7.363681376141469

minimum gb energy = 0.7465916329388341 eV
minimum distance =  0.00250892340551946 Angstroms
sigma value = 5


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

Energy: 4.48789411202144
Energy: 9.154656446782484
Energy: 0.8769867363834548
Energy: 8.107721055311206
Energy: 9.225937843670964
Energy: 5.411729723910892
Energy: 3.5211356251351673
Energy: 5.411729723912092
Energy: 5.329916576391142
Energy: 4.471034133765393
Energy: 7.157779578580314
Energy: 4.471034133762444
Energy: 4.404247380497992
Energy: 1.6973338702531395
Energy: 3.675022568948803
Energy: 1.6973338702555416
Energy: 1.7741977047755102
Energy: 7.245581676501196
Energy: 4.614362196424108
Energy: 7.245581676502999
Energy: 1.7178799420544988
Energy: 7.245850145004249
Energy: 4.6143154468267955
Energy: 7.24585014500485
Energy: 3.4848747309035817
Energy: 0.7776540643152072
Energy: 5.421059589766276
Energy: 0.7776540643146067
Energy: 3.495841499654212
Energy: 5.332882626124995
Energy: 8.065305448275867
Energy: 5.332882626126197
Energy: 7.379751557728917
Energy: 4.485282789318497
Energy: 4.498471287992014
Energy: 4.4852827893214995
Energy: 4.4160736129534355
Energy: 7.149341644895602
Energy: 1.6621724242118732
Energy: 7.149341644856021
Energy: 7.384058747855988
Energy: 3.488399507815199
Energy: 1.6575058149505408
Energy: 3.488399507812797
Energy: 4.495339941300671
Energy: 5.354133310445104
Energy: 3.516481942587748
Energy: 5.354133310446905
Energy: 4.489045845414891
Energy: 5.352276959430199
Energy: 0.7689074088318604
Energy: 5.352276959432
Energy: 5.553375510716116
Energy: 3.491409512823029
Energy: 4.420780239548504
Energy: 3.4914095128218285
Energy: 5.326273215770114
Energy: 4.447530386239658
Energy: 4.42392199340354
Energy: 4.4475303862366555
Energy: 1.6657086469819495
Energy: 1.6607230169955178
Energy: 8.351291450170548
Energy: 1.6607230169979201
Energy: 0.7999357420283923
Energy: 8.056929360791747
Energy: 8.075283002467401
Energy: 8.056929360857806
Energy: 3.5149148289481906
Energy: 4.406568773315475
Energy: 8.35764542274128
Energy: 4.406568773315475
Energy: 7.147641118632223
Energy: 4.47344046435726
Energy: 5.315221104231339
Energy: 4.473440464357862
Energy: 3.520030787585516
Energy: 1.7010215965338746
Energy: 4.403062914232852
Energy: 1.7010215965068498
Energy: 4.614685317573045
Energy: 7.285088240381037
Energy: 1.781297624056056
Energy: 7.285088240382839
Energy: 4.6141507269640405
Energy: 7.285431439349582
Energy: 0.7816562909477806
Energy: 7.285431439351384
Energy: 4.607771983526012
Energy: 0.7832305222500766
Energy: 4.400013904871731
Energy: 0.783230522254881
Energy: 8.06768116657796
Energy: 5.332331804796165
Energy: 3.4883015079240955
Energy: 5.3323318047943635
Energy: 4.496549956795899
Energy: 8.218831220725837
Energy: 7.38689634945661
Energy: 8.21883122073004
Energy: 0.7612784522052644
Energy: 7.153849687011467
Energy: 4.41602031047544
Energy: 7.153849687012669
Energy: 1.6654656568188821
Energy: 3.489665202658545
Energy: 7.377689265992375
Energy: 3.4896652026603467
Energy: 4.421316881704312
Energy: 5.3125792746590585
Energy: 8.155522309892312
Energy: 5.312579274657858
Energy: 0.7461542569090532
Energy: 5.311769290325936
Energy: 4.4875803041398035
Energy: 5.311769290322332
Energy: 4.422215768377692
Energy: 3.4879136327480595
Energy: 5.546640746780866
Energy: 3.487913632745057
Energy: 4.421368878279003
Energy: 4.473327911448869
Energy: 1.6725419480739503
Energy: 4.473327911450671
Energy: 5.378186802023864
Energy: 1.669768953507401
Energy: 1.6722354523793774
Energy: 1.6697689535104037
Energy: 8.14446994877489
Energy: 9.054875608026018
Energy: 0.7742033538429173
Energy: 9.054875608026018

minimum gb energy = 0.7461542569090532 eV
minimum distance =  0.000141665708395759 Angstroms
sigma value = 1


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

Energy: 5.780518958826832
Energy: 8.484313375330824
Energy: 0.8469858299854531
Energy: 5.754217589286098
Energy: 8.6953221506771
Energy: 3.376767226782035
Energy: 5.770951233035665
Energy: 3.376767226782035
Energy: 8.296683170358259
Energy: 8.423547407740903
Energy: 5.772666153853071
Energy: 8.423547407740903
Energy: 5.7604919872815845
Energy: 3.275107586270989
Energy: 6.015923428405696
Energy: 3.2751075862726493
Energy: 3.2984918591609262
Energy: 10.914434689984887
Energy: 5.961659069501028
Energy: 10.914434689985718
Energy: 3.3105308458907623
Energy: 10.914794860832497
Energy: 5.961781342442378
Energy: 10.914794860834986
Energy: 8.330304749510425
Energy: 0.7339222157136351
Energy: 3.337878854971162
Energy: 0.7339222157136351
Energy: 0.7353321941306592
Energy: 8.315981788095693
Energy: 5.783246048818856
Energy: 8.31598178809237
Energy: 5.966049030406042
Energy: 8.420301994725573
Energy: 5.781894474663688
Energy: 8.420301994749655
Energy: 5.769330771376955
Energy: 5.768262696297016
Energy: 3.230745850624247
Energy: 5.768262696292864
Energy: 5.927221870892082
Energy: 3.2310817698281546
Energy: 3.23183804062225
Energy: 3.231081769829815
Energy: 5.781048232663276
Energy: 8.368034850252092
Energy: 3.2399235649030893
Energy: 8.368034850254583
Energy: 5.7851022220439114
Energy: 8.367129781325103
Energy: 0.7349006099842009
Energy: 8.36712978132348
Energy: 8.467346647746519
Energy: 5.7716235544215575
Energy: 5.774540644536561
Energy: 5.771623554423218
Energy: 5.762075875405002
Energy: 8.42377683859224
Energy: 5.77122924852004
Energy: 8.423776838587257
Energy: 5.757484129740068
Energy: 8.552404272405767
Energy: 11.046059607976442
Energy: 8.552404272408259
Energy: 0.7359076287302101
Energy: 10.913547368144888
Energy: 5.963143388361415
Energy: 10.913547368139074
Energy: 3.321344986635089
Energy: 5.874802071868941
Energy: 5.963308944076727
Energy: 5.874802071871431
Energy: 5.805707648821047
Energy: 3.3111888602209967
Energy: 5.7833926363968695
Energy: 3.3111888602234876
Energy: 0.7353401091580529
Energy: 8.315457069602589
Energy: 5.782092657239913
Energy: 8.315457069603418
Energy: 5.769442572350281
Energy: 8.419799351965908
Energy: 8.31573928642865
Energy: 8.419799351965908
Energy: 5.77441532628619
Energy: 8.4303502875943
Energy: 3.235352306951765
Energy: 8.430350287592638
Energy: 8.664010644800411
Energy: 3.2309934171118058
Energy: 3.2323901785310167
Energy: 3.230993417109315
Energy: 5.7850455199795
Energy: 8.366816446011237
Energy: 0.7353827802390365
Energy: 8.366816446011237

minimum gb energy = 0.7339222157136351 eV
minimum distance =  0.000781873203772392 Angstroms
sigma value = 17


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

Energy: 4.059581389094017
Energy: 8.78815330994403
Energy: 0.851051634938122
Energy: 7.0389133803495305
Energy: 8.93691605221226
Energy: 5.578472983268722
Energy: 3.8529979646241186
Energy: 5.5784729832666695
Energy: 3.8623850110320506
Energy: 5.479339324420142
Energy: 6.9752407284870594
Energy: 5.479339324422194
Energy: 6.942869209641972
Energy: 5.409774953107244
Energy: 3.998626645093378
Energy: 5.4097749531087835
Energy: 2.501028427065116
Energy: 6.992530404141497
Energy: 3.9570612350066767
Energy: 6.992530404140983
Energy: 2.2737528164347136
Energy: 6.993143674321919
Energy: 7.0810052684475675
Energy: 6.993143674320892
Energy: 5.41351152804374
Energy: 0.712321665870958
Energy: 5.5976422394676835
Energy: 0.712321665870958
Energy: 0.7221516717525672
Energy: 8.557534659984235
Energy: 6.963661569113615
Energy: 8.557534659974015
Energy: 6.968469009883393
Energy: 5.4387650827195815
Energy: 7.193619332995887
Energy: 5.438765082720095
Energy: 3.8433079707210283
Energy: 3.8366782709258707
Energy: 2.309960669916161
Energy: 3.8366782710413
Energy: 3.9804993663937136
Energy: 2.302772799351984
Energy: 3.833149147687831
Energy: 2.3027727993530114
Energy: 4.051279908140205
Energy: 7.11307007513276
Energy: 2.3206981999790037
Energy: 7.1130700751343
Energy: 7.0751102000133415
Energy: 10.22110691211265
Energy: 0.7348287545048915
Energy: 10.221106912110598
Energy: 8.865984165113613
Energy: 0.7336314933858212
Energy: 5.416241068873745
Energy: 0.7336314933832551
Energy: 3.856287344125683
Energy: 5.383587019282539
Energy: 3.8405486302620457
Energy: 5.383587019284078
Energy: 6.971609510724127
Energy: 5.384302532317711
Energy: 7.079055842739486
Energy: 5.384302532313092
Energy: 0.7356656006460177
Energy: 6.957791071460896
Energy: 6.953660906394795
Energy: 6.957791071497288
Energy: 5.420949305993396
Energy: 5.507833103884183
Energy: 7.088914724544712
Energy: 5.507833103882643
Energy: 2.281412264765878
Energy: 5.630905828428032
Energy: 7.202960983499257
Energy: 5.630905828429572
Energy: 0.7354477716314102
Energy: 8.655719888144109
Energy: 4.057868854590909
Energy: 8.655719888166178
Energy: 3.851285554196783
Energy: 3.8447341054410322
Energy: 8.934666732560045
Energy: 3.8447341054420585
Energy: 6.977107614385461
Energy: 5.479769822118904
Energy: 3.8618935282033586
Energy: 5.47976982212455
Energy: 4.0177664143767995
Energy: 5.408426096272416
Energy: 6.944924620092526
Energy: 5.408426096271903
Energy: 3.955454885482568
Energy: 6.99230393254201
Energy: 2.5208425868477775
Energy: 6.992303932543549
Energy: 7.08365355036084
Energy: 6.992943025798425
Energy: 2.272994612554368
Energy: 6.992943025797398
Energy: 8.778882672947239
Energy: 2.364454170575824
Energy: 5.41568826151415
Energy: 2.364454170577364
Energy: 6.962158521217101
Energy: 8.557215817766114
Energy: 0.719306740787824
Energy: 8.557215817778946
Energy: 7.202991469357289
Energy: 8.765579464308871
Energy: 6.964992533688929
Energy: 8.765579464310923
Energy: 5.40086496856951
Energy: 5.486243843551656
Energy: 3.844570050962542
Energy: 5.486243843549603
Energy: 3.8340308761324513
Energy: 2.3029792833505662
Energy: 3.979676079847811
Energy: 2.302979283351079
Energy: 2.3216176642467303
Energy: 10.221559019601962
Energy: 4.050807241138935
Energy: 10.221559019604015
Energy: 0.7336227027752431
Energy: 10.221284032644022
Energy: 7.078657956821027
Energy: 10.221284032646075
Energy: 5.415110378233664
Energy: 0.7347874999811689
Energy: 5.640229418963849
Energy: 0.7347874999816821
Energy: 3.843810997440727
Energy: 5.383328101797835
Energy: 3.8525298781534216
Energy: 5.383328101799888
Energy: 7.091908980145254
Energy: 8.690526197554725
Energy: 6.9742613868239225
Energy: 8.690526197549593
Energy: 6.952324534813293
Energy: 6.956657787377098
Energy: 2.283840137345465
Energy: 6.95665778724935
Energy: 7.092546158509437
Energy: 5.5095045305893535
Energy: 5.420643874638878
Energy: 5.509504530587814
Energy: 7.195663452561929
Energy: 8.6553869385307
Energy: 2.2837118229200155
Energy: 8.655386938531214

minimum gb energy = 0.712321665870958 eV
minimum distance =  0.0037961728088092 Angstroms
sigma value = 89


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

Energy: 8.961560885032984
Energy: 11.005665876234536
Energy: 0.7296851078813827
Energy: 8.87772489328774
Energy: 11.087034208710696
Energy: 2.889570368762187
Energy: 6.806914030344072
Energy: 2.889570368762187
Energy: 0.8155502026312822
Energy: 8.939378535432803
Energy: 6.810683322145759
Energy: 8.939378535432803
Energy: 0.8105220533583217
Energy: 2.8440856029753596
Energy: 7.162409857018293
Energy: 2.8440856029780455
Energy: 2.8594815877274646
Energy: 6.922674915296984
Energy: 0.8171389746263188
Energy: 6.922674915295641
Energy: 2.709782193236485
Energy: 6.9230069080515895
Energy: 0.7831528982331643
Energy: 6.923006908054276
Energy: 2.708564391411135
Energy: 2.708896388416716
Energy: 0.6727435990724513
Energy: 2.7088963884153734
Energy: 0.781761730116142
Energy: 8.804695112867078
Energy: 8.806613593971788
Energy: 8.804695112868421
Energy: 6.775623682996492
Energy: 0.6707846477259828
Energy: 8.804195966216664
Energy: 0.6707846477259828
Energy: 6.775651720877709
Energy: 8.935986777397854
Energy: 2.8644324518255853
Energy: 8.935986777396511
Energy: 0.7718832441295512
Energy: 2.7296899228047518
Energy: 0.8128728847119945
Energy: 2.7296899228047518
Energy: 0.8150404262899309
Energy: 9.129147292576896
Energy: 2.8667410691450197
Energy: 9.129147292579582
Energy: 0.7842066379972532
Energy: 6.962670392928596
Energy: 2.744052646906644
Energy: 6.9626703929299385
Energy: 7.152252612449026
Energy: 2.7416562793877413
Energy: 2.740975406462989
Energy: 2.7416562793863983
Energy: 8.9615767435453
Energy: 11.005158466175818
Energy: 0.7284374005455646
Energy: 11.005158466175818

minimum gb energy = 0.6707846477259828 eV
minimum distance =  0.001042773234566 Angstroms
sigma value = 13


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

Energy: 4.2622178153606916
Energy: 9.644623142800958
Energy: 0.793810156216764
Energy: 7.8710762848361755
Energy: 9.745989897361682
Energy: 6.02141160930697
Energy: 4.077265067418312
Energy: 6.021411609300779
Energy: 4.276035640778278
Energy: 2.461765949863634
Energy: 4.071988833459311
Energy: 2.4617659498647595
Energy: 4.051111758596612
Energy: 5.801397682037723
Energy: 0.7462190900484686
Energy: 5.801397682048417
Energy: 5.982164705340239
Energy: 4.10132495010169
Energy: 4.1629358524675615
Energy: 4.1013249500960605
Energy: 5.800556043281851
Energy: 6.0134140465307055
Energy: 4.163813142239101
Energy: 6.013414046526203
Energy: 5.797531122880794
Energy: 2.3543620021827234
Energy: 7.888945395680291
Energy: 2.354362002191729
Energy: 0.6533839181547653
Energy: 11.137681268479408
Energy: 4.385456722460051
Energy: 11.137681268481096
Energy: 2.38082491907028
Energy: 7.679895980541069
Energy: 7.835503226557164
Energy: 7.679895980544446
Energy: 5.829410100147195
Energy: 2.46308711143717
Energy: 9.45809725330062
Energy: 2.4630871114292896
Energy: 0.6499882968443601
Energy: 9.313794419305529
Energy: 4.262029375808511
Energy: 9.313794403130311
Energy: 7.493593453821224
Energy: 5.877920772509827
Energy: 9.456793433183769
Energy: 5.87792077250645
Energy: 7.488765404067476
Energy: 5.8585504189974795
Energy: 5.771806759115386
Energy: 5.8585504190014195
Energy: 4.317398791470928
Energy: 5.75986196581949
Energy: 4.052083355853927
Energy: 5.759861965828495
Energy: 7.586017688613973
Energy: 7.608853614031155
Energy: 2.5614509761531234
Energy: 7.608853614023838
Energy: 7.588031204977073
Energy: 7.635227790894174
Energy: 2.3678458528979918
Energy: 7.63522779088348
Energy: 9.563907806060545
Energy: 2.4671392300807415
Energy: 2.3651259146235035
Energy: 2.467139230079616
Energy: 4.261566837521653
Energy: 9.439670641828352
Energy: 0.6499742765039846
Energy: 9.439670641831679
Energy: 4.195907047525942
Energy: 6.020891412697735
Energy: 4.069042605223984
Energy: 6.020891412700551
Energy: 5.995360981461431
Energy: 5.862731966688177
Energy: 4.069306128753855
Energy: 5.862731966694368
Energy: 4.050060377833183
Energy: 5.8011659438457
Energy: 0.7441163395091823
Energy: 5.8011659429343
Energy: 5.994390148277327
Energy: 5.930579486940429
Energy: 4.165109016224295
Energy: 5.9305794869421185
Energy: 2.3600622140102603
Energy: 4.184847365160777
Energy: 4.161374417201487
Energy: 4.184847365163029
Energy: 4.085525251792921
Energy: 2.35312934573351
Energy: 4.251209159950055
Energy: 2.3531293457442035
Energy: 2.3726591645519277
Energy: 7.678934223665324
Energy: 4.383057358268394
Energy: 7.678934223663073
Energy: 2.381880620118854
Energy: 7.6797215926267715
Energy: 4.261534463806888
Energy: 7.679721592622832
Energy: 5.827730031403723
Energy: 0.6475946336008352
Energy: 5.98529890593089
Energy: 0.6475946335935694
Energy: 0.6478595851345096
Energy: 9.312158210535097
Energy: 4.261495945635937
Energy: 9.312158210535097
Energy: 4.178270801903779
Energy: 5.906808876469488
Energy: 7.7050377302813295
Energy: 5.906808876461046
Energy: 4.068972354963326
Energy: 4.052006286336811
Energy: 5.760591388646019
Energy: 4.052006286339061
Energy: 4.184970249541198
Energy: 5.759510898554074
Energy: 4.0498252899672265
Energy: 5.759510898543381
Energy: 7.5914892873023065
Energy: 7.609227100600405
Energy: 5.7647972171200905
Energy: 7.609227100613351
Energy: 7.584887363940053
Energy: 7.608333097355954
Energy: 2.3683918663234693
Energy: 7.608333097371714
Energy: 7.982064085506396
Energy: 2.3613383399217738
Energy: 2.3613665105261425
Energy: 2.361338339936971
Energy: 7.698263069397346
Energy: 9.431475486484706
Energy: 0.648925126346065
Energy: 9.431475486493712

minimum gb energy = 0.6475946335935694 eV
minimum distance =  0.000409086071685973 Angstroms
sigma value = 37


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

Energy: 1.0697786057554328
Energy: 8.380262655011851
Energy: 0.6181989591056225
Energy: 6.846448153592958
Energy: 8.441273443455835
Energy: 2.161166684537209
Energy: 5.013951475742799
Energy: 2.1611666845352717
Energy: 6.549016785146742
Energy: 2.2158188695745813
Energy: 5.013900905097906
Energy: 2.2158188695755494
Energy: 6.550180216802048
Energy: 2.1626672208977604
Energy: 0.773863486363139
Energy: 2.1626672209122866
Energy: 2.205313896862474
Energy: 5.075657871028736
Energy: 0.8310839484805311
Energy: 5.075657871028736
Energy: 0.6811939353014421
Energy: 6.641897833712534
Energy: 5.27625025789637
Energy: 6.641897833713503
Energy: 0.6875488389684739
Energy: 2.097116188638294
Energy: 5.459072481424756
Energy: 2.0971161886363574
Energy: 0.6906227709285281
Energy: 5.278398264920625
Energy: 6.744302384060435
Energy: 5.278398264920625
Energy: 2.059462097576601
Energy: 5.313761565499733
Energy: 6.742591468585845
Energy: 5.313761565500702
Energy: 2.063063579412292
Energy: 0.5926683248196364
Energy: 6.840452087898503
Energy: 0.5926683248196364
Energy: 0.7129255287396308
Energy: 6.788111852856836
Energy: 0.9565512388826926
Energy: 6.788111852856836
Energy: 4.98810794525637
Energy: 0.592672984436734
Energy: 6.841459626906135
Energy: 0.5926729844377023
Energy: 4.991513788033089
Energy: 2.2058871776880635
Energy: 6.548011496477976
Energy: 2.2058871776870954
Energy: 0.8413916282074512
Energy: 2.1473105129451255
Energy: 6.550178765691022
Energy: 2.1473105129441796
Energy: 0.8310839484863413
Energy: 5.1037664959761955
Energy: 2.219184285389668
Energy: 5.103766495977165
Energy: 5.283814042680914
Energy: 6.700825470968519
Energy: 0.6810362873523794
Energy: 6.700825470968519
Energy: 5.4453570196433025
Energy: 2.0686394239029755
Energy: 0.6875259331547267
Energy: 2.068639423903944
Energy: 6.744302384060435
Energy: 5.292411274169573
Energy: 0.6234863284284062
Energy: 5.292411274169573
Energy: 6.742591468583909
Energy: 5.306456874348591
Energy: 2.0868109285380587
Energy: 5.306456874348591
Energy: 6.903103029003093
Energy: 2.1609510733267303
Energy: 2.087778832935733
Energy: 2.160951073327699

minimum gb energy = 0.5926683248196364 eV
minimum distance =  0.00196019372329742 Angstroms
sigma value = 25


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

Energy: 5.39607701261673
Energy: 7.895122325410721
Energy: 0.7103444952918054
Energy: 5.507751881831541
Energy: 7.935051317845301
Energy: 7.650672123261654
Energy: 5.161594313841851
Energy: 7.650672137737951
Energy: 5.398795991135088
Energy: 2.963425940245978
Energy: 5.159638861334622
Energy: 2.9634259402467342
Energy: 0.8040559986280047
Energy: 7.586667848757403
Energy: 0.6756965815334802
Energy: 7.586667848755891
Energy: 7.7602706444835245
Energy: 5.165182515713557
Energy: 5.257235783858647
Energy: 5.165182515713557
Energy: 5.107412906342625
Energy: 7.621606623200772
Energy: 5.253009817438871
Energy: 7.621606623202285
Energy: 5.1121462201269745
Energy: 2.8799385174621595
Energy: 5.504778356635613
Energy: 2.879938517461403
Energy: 2.9945530903575137
Energy: 5.256344402496112
Energy: 5.2538220440267605
Energy: 5.2563444024953565
Energy: 2.827016556629409
Energy: 7.698588348479393
Energy: 9.967911190183692
Energy: 7.69858834847788
Energy: 2.8288460021248847
Energy: 7.723239938246046
Energy: 10.248470926782263
Energy: 7.7232399382468016
Energy: 0.5408131236754402
Energy: 9.993562231262521
Energy: 5.253036745109681
Energy: 9.993562318228363
Energy: 2.870900451005353
Energy: 5.429173008242033
Energy: 10.24829796809687
Energy: 5.429173008242033
Energy: 2.8765447804001756
Energy: 7.650452108187719
Energy: 10.116387397014524
Energy: 7.650452108186206
Energy: 0.5458615093967272
Energy: 7.65070638739264
Energy: 5.397860260133263
Energy: 7.650706387394874
Energy: 7.465482140914867
Energy: 2.9720208959113905
Energy: 7.933460227723159
Energy: 2.972020895896267
Energy: 5.154334727439038
Energy: 7.588215443208966
Energy: 5.405819203181868
Energy: 7.588215443221786
Energy: 5.253114220913418
Energy: 7.586519136273977
Energy: 5.401246896437538
Energy: 7.5865191362566184
Energy: 0.6712519759063768
Energy: 5.164706975359341
Energy: 3.1031740703242474
Energy: 5.164706975360854
Energy: 5.254257300641678
Energy: 2.8797070642443185
Energy: 5.113417170571387
Energy: 2.879707064243562
Energy: 5.506445236895209
Energy: 7.757917614464383
Energy: 5.107504890609327
Energy: 7.757917614466651
Energy: 5.252274947756874
Energy: 5.2484998669744805
Energy: 2.8300740992462035
Energy: 5.2484998673236545
Energy: 5.507123082971349
Energy: 7.6983191723702395
Energy: 0.5380043477542166
Energy: 7.698319172371753
Energy: 5.508855502327068
Energy: 5.4293967828473235
Energy: 2.830214561578919
Energy: 5.42939678284808
Energy: 0.8132779168077487
Energy: 9.994377480109993
Energy: 0.5408916928449499
Energy: 9.994377480108481
Energy: 10.242480882503331
Energy: 0.5370804990870116
Energy: 2.870575160740268
Energy: 0.5370804990862899
Energy: 5.396135286633076
Energy: 7.650579994485951
Energy: 0.5403064274984785
Energy: 7.650579994484439

minimum gb energy = 0.5370804990862899 eV
minimum distance =  0.00107829563062789 Angstroms
sigma value = 41


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

Energy: 8.331231607455312
Energy: 10.43140953968813
Energy: 0.6751778416643349
Energy: 8.469246161343747
Energy: 10.553802022655768
Energy: 6.473122764328086
Energy: 6.175343591699892
Energy: 6.473122764328086
Energy: 8.331992749497696
Energy: 6.316352182730522
Energy: 4.282213928938611
Energy: 6.316352182723083
Energy: 4.471941680213335
Energy: 6.314870529472436
Energy: 0.7257219047169832
Energy: 6.314870529477395
Energy: 6.684060748346274
Energy: 4.28473470098456
Energy: 4.359576991989064
Energy: 4.28473470098704
Energy: 4.4805301837053895
Energy: 2.431510722494498
Energy: 4.365787683796796
Energy: 2.431510722496358
Energy: 4.476234405897261
Energy: 6.26324714604425
Energy: 4.6078920909657395
Energy: 6.263247146034951
Energy: 2.650043608101829
Energy: 4.346930858360073
Energy: 4.356671884997261
Energy: 4.346930858372471
Energy: 4.24599183508155
Energy: 6.392253294224851
Energy: 8.213218969653493
Energy: 6.392253294222991
Energy: 4.24724907754018
Energy: 6.443333342979344
Energy: 8.476479096360165
Energy: 6.443333342978724
Energy: 0.6074613133339992
Energy: 8.22652787250234
Energy: 8.21310467104511
Energy: 8.22652787249676
Energy: 6.269670252789895
Energy: 6.414110145299199
Energy: 8.46807381687187
Energy: 6.414110145299199
Energy: 2.373575648269075
Energy: 8.309962793158556
Energy: 8.474495642566156
Energy: 8.309962793159796
Energy: 0.49525855498292587
Energy: 8.30941421494243
Energy: 4.599824560331467
Energy: 8.309414214939952
Energy: 2.403393168336905
Energy: 0.49398838550412333
Energy: 8.659252903878286
Energy: 0.4939883855053631
Energy: 0.4958155727385381
Energy: 10.234111537930147
Energy: 4.7379562727270805
Energy: 10.234111537929527
Energy: 0.6077257320757544
Energy: 10.226493089585368
Energy: 4.730322653433723
Energy: 10.226493089584748
Energy: 6.169767426712419
Energy: 0.4933197136190116
Energy: 6.764802015313916
Energy: 0.49331971362273114
Energy: 4.277142172581901
Energy: 6.313859011512376
Energy: 4.476973542827011
Energy: 6.3138590115049364
Energy: 4.35551334403551
Energy: 6.314606321740658
Energy: 4.477548752795892
Energy: 6.314606321740658
Energy: 8.15898657825698
Energy: 4.284159973042695
Energy: 2.832307308957649
Energy: 4.284159973037792
Energy: 4.355049558198129
Energy: 6.262070048131532
Energy: 8.096984824497222
Energy: 6.262070048164389
Energy: 8.213000240437449
Energy: 6.359913503998488
Energy: 4.481098794110327
Energy: 6.359913503996007
Energy: 4.356930671390621
Energy: 4.34840421799982
Energy: 2.6063034955512405
Energy: 4.34840421799982
Energy: 4.610209533548665
Energy: 2.410581499695137
Energy: 4.239565135313725
Energy: 2.41058149943736
Energy: 4.607085118682839
Energy: 8.227826424860114
Energy: 2.6003183685171747
Energy: 8.227826424894802
Energy: 4.603043645164125
Energy: 8.226876870865485
Energy: 2.3766622884776516
Energy: 8.226876870841927
Energy: 4.7896376403731145
Energy: 2.3671644043278137
Energy: 6.268457740494971
Energy: 2.3671644043284337
Energy: 4.604301119925531
Energy: 8.30999543544114
Energy: 2.373449440592743
Energy: 8.309995435439282
Energy: 4.605668622908349
Energy: 8.309847980203013
Energy: 2.4084181007715744
Energy: 8.309847980208593
Energy: 6.755187040691986
Energy: 0.4938894658349694
Energy: 6.2072185701583615
Energy: 0.4938894658349694
Energy: 8.33367884744767
Energy: 10.226128178951562
Energy: 0.49604572548360054
Energy: 10.22612817895218

minimum gb energy = 0.4933197136190116 eV
minimum distance =  0.000992904914414635 Angstroms
sigma value = 15


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

Energy: 4.036490297350196
Energy: 8.970744899761847
Energy: 0.6489179524538998
Energy: 7.30511562087861
Energy: 9.151321936095478
Energy: 5.546711263763343
Energy: 5.272467552710599
Energy: 5.546711263763343
Energy: 7.318819342124491
Energy: 5.53000659214234
Energy: 3.668732234988042
Energy: 5.53000659214339
Energy: 7.092097809233362
Energy: 8.686597023768092
Energy: 0.6593877121174134
Energy: 8.686597023766517
Energy: 5.8688395267346625
Energy: 5.368517355972977
Energy: 6.950146637254057
Energy: 5.368517355999235
Energy: 7.1018000060871325
Energy: 5.3811376352535225
Energy: 3.7382156859818307
Energy: 5.381137635251995
Energy: 3.827903510285643
Energy: 5.381676666652801
Energy: 3.933890341839366
Energy: 5.38167666665175
Energy: 2.485448008357935
Energy: 3.7199227894638263
Energy: 3.7290716779128674
Energy: 3.7199227909483255
Energy: 3.831381090343286
Energy: 5.3414027488627385
Energy: 7.007544800523389
Energy: 5.341402748859589
Energy: 3.8325160273021037
Energy: 5.521264053141648
Energy: 7.214729458259148
Energy: 5.521264053140072
Energy: 2.2348139470631048
Energy: 7.000370371031676
Energy: 6.993378316083021
Energy: 7.000370371028
Energy: 3.6356474160233696
Energy: 2.0814711141270212
Energy: 7.214743660794554
Energy: 2.0814711141275466
Energy: 5.274345453667518
Energy: 8.80931476780097
Energy: 7.210574639056539
Energy: 8.809314767803071
Energy: 2.057403084089026
Energy: 7.068055677207551
Energy: 3.9306938398963953
Energy: 7.068055677206501
Energy: 5.346560990453261
Energy: 2.045445331627074
Energy: 7.369179149206133
Energy: 2.045445331628124
Energy: 2.0545250431658526
Energy: 7.188202278813909
Energy: 4.14882043692557
Energy: 7.188202278813909
Energy: 0.46165674118326455
Energy: 10.402243322961116
Energy: 4.1488172631503675
Energy: 10.402243322959539
Energy: 5.297169606437535
Energy: 0.458535192660219
Energy: 7.495074213104715
Energy: 0.4585351926596939
Energy: 0.4618550407613012
Energy: 8.837477347826523
Energy: 4.040638484220746
Energy: 8.837477347825471
Energy: 0.5533965938689993
Energy: 8.836332286393189
Energy: 7.312192899687452
Energy: 8.836332286392137
Energy: 5.266006492149435
Energy: 0.46138645338447126
Energy: 5.774537599936333
Energy: 0.4613864533828958
Energy: 0.5553641693757503
Energy: 8.686725868442593
Energy: 7.093522904719674
Energy: 8.68672586844102
Energy: 3.742534457846253
Energy: 5.529484210410258
Energy: 4.047366416753291
Energy: 5.529484210409208
Energy: 6.950164540841004
Energy: 5.38024056098725
Energy: 5.693403273256079
Energy: 5.380240560984099
Energy: 0.7420532496736103
Energy: 5.37995114882646
Energy: 3.823797133988675
Energy: 5.379951148824359
Energy: 7.00211928463808
Energy: 5.428586841609086
Energy: 5.687929217347193
Energy: 5.428586841609086
Energy: 3.73342263184631
Energy: 5.458950083315344
Energy: 5.475959738452704
Energy: 5.4589500833163935
Energy: 4.038621648910535
Energy: 5.340676747841177
Energy: 6.894588295515864
Energy: 5.340676747892595
Energy: 3.9350878347640217
Energy: 7.001027379994386
Energy: 5.459815457496782
Energy: 7.001027379995437
Energy: 3.9389035637256957
Energy: 5.525931395363043
Energy: 5.27418176802885
Energy: 5.525931395361992
Energy: 7.3703563902780695
Energy: 2.080467042967476
Energy: 3.6354787071727297
Energy: 2.0804670429659007
Energy: 3.931438047135587
Energy: 7.068715014135581
Energy: 2.233794141780828
Energy: 7.068715014084688
Energy: 7.209442463744587
Energy: 7.068976351725372
Energy: 2.050151561683584
Energy: 7.068976351725372
Energy: 10.717876066913023
Energy: 5.435476380564764
Energy: 2.049246609455999
Energy: 5.435476380568964
Energy: 7.198131676684652
Energy: 10.401979666240047
Energy: 0.46061045318684535
Energy: 10.401979666231645
Energy: 7.412687810954315
Energy: 7.1865459995939
Energy: 2.079042781938264
Energy: 7.186545999594426
Energy: 4.239225845919848
Energy: 5.5472392246025635
Energy: 2.0817927825601874
Energy: 5.547239224600988

minimum gb energy = 0.4585351926596939 eV
minimum distance =  0.00283599486413049 Angstroms
sigma value = 85


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

Energy: 6.34592955648511
Energy: 10.679485355296501
Energy: 0.41717736479302847
Energy: 9.238370855059667
Energy: 10.826036855934031
Energy: 4.833905008482957
Energy: 4.583433472250064
Energy: 4.833905008482957
Energy: 6.346009537224824
Energy: 4.839333337512226
Energy: 3.1931803175556155
Energy: 4.839333337512681
Energy: 3.5124067282577047
Energy: 7.619254705100951
Energy: 0.656861853511751
Energy: 7.619254705103229
Energy: 7.968725921405288
Energy: 4.670306439812645
Energy: 6.041780007644995
Energy: 4.670306439823121
Energy: 3.512858054892334
Energy: 4.733794432743452
Energy: 3.249507078245464
Energy: 4.733794432743908
Energy: 6.1664002331833
Energy: 7.5376960362649115
Energy: 3.4263704982387675
Energy: 7.5376960362649115
Energy: 5.007989222844153
Energy: 3.2401889791150156
Energy: 3.2492433552967683
Energy: 3.240188979118204
Energy: 6.169336879025118
Energy: 4.676352983455207
Energy: 3.42515956322869
Energy: 4.676352983454751
Energy: 6.163161747730826
Energy: 4.679620486052392
Energy: 6.256338891636478
Energy: 4.679620486051936
Energy: 2.1308055422876553
Energy: 6.081528462925881
Energy: 6.078642021233474
Energy: 6.081528462927247
Energy: 5.997749888177287
Energy: 4.645968531034358
Energy: 6.256549924745318
Energy: 4.645968531029802
Energy: 4.748548868409513
Energy: 4.824117394580665
Energy: 6.254695391938942
Energy: 4.824117394580665
Energy: 1.954118572466761
Energy: 6.1380385521668845
Energy: 3.422635817921158
Energy: 6.138038552196035
Energy: 3.166363561515684
Energy: 1.8213248754290337
Energy: 6.445501759328741
Energy: 1.821324875429924
Energy: 1.9554589443611619
Energy: 6.184595858857587
Energy: 3.6101413967840426
Energy: 6.184595858833467
Energy: 1.7946193813968547
Energy: 9.022753583835785
Energy: 6.259215779736236
Energy: 9.022753583836696
Energy: 4.6508400699215775
Energy: 1.791745420506233
Energy: 6.659667445896342
Energy: 1.791745420505778
Energy: 1.7966452319155883
Energy: 9.117579628786835
Energy: 6.444256658081795
Energy: 9.11757962878638
Energy: 1.8200486369722992
Energy: 9.117161201421435
Energy: 6.444829293713695
Energy: 9.117161201421892
Energy: 4.610527074802854
Energy: 0.41449749469415836
Energy: 8.012173520605668
Energy: 0.41449749469415836
Energy: 0.415766268536146
Energy: 10.518067105924962
Energy: 6.3472330763228
Energy: 10.518067105924507
Energy: 3.193443009383436
Energy: 7.707322426751219
Energy: 6.534161967845625
Energy: 7.7073224267516744
Energy: 4.586832932709245
Energy: 1.8845946177688195
Energy: 7.968990755622775
Energy: 1.8845946177697306
Energy: 0.4978308741202463
Energy: 7.61951356776905
Energy: 3.511884478294026
Energy: 7.6195135677695065
Energy: 3.2501550219113895
Energy: 4.839167162074327
Energy: 6.538253633540068
Energy: 4.839167162073871
Energy: 6.038518818516512
Energy: 7.669550427177456
Energy: 6.346497076623856
Energy: 7.6695504271770005
Energy: 0.6574951610334205
Energy: 7.538914520698254
Energy: 6.163262280411288
Energy: 7.53891452069871
Energy: 6.083705796858327
Energy: 4.720125199262611
Energy: 5.1255247459750315
Energy: 4.720125199263522
Energy: 6.079496962654884
Energy: 7.677487207328617
Energy: 6.1634780736093715
Energy: 7.677487207327706
Energy: 3.6117642535795254
Energy: 4.676889349594611
Energy: 3.333674658423166
Energy: 4.6768893495941555
Energy: 6.080923546034808
Energy: 6.08184075616339
Energy: 2.2984781085397286
Energy: 6.081840756254444
Energy: 6.256013026618596
Energy: 4.789121418739831
Energy: 3.331717328135436
Energy: 4.7891214187416535
Energy: 6.445288198784605
Energy: 4.824819064279116
Energy: 3.338205031180036
Energy: 4.824819064278205
Energy: 3.420892023052104
Energy: 6.138702215158804
Energy: 0.6574141107813435
Energy: 6.138702215161081
Energy: 6.445586968862801
Energy: 4.826909859999932
Energy: 4.584800767564503
Energy: 4.8269098600008435
Energy: 6.444126004009108
Energy: 7.680656211972821
Energy: 4.58033725212403
Energy: 7.680656211972365
Energy: 6.254734040442508
Energy: 9.024167203982305
Energy: 0.4970190780444185
Energy: 9.024167203981849
Energy: 6.576246370816133
Energy: 4.750756591210223
Energy: 4.652305374835147
Energy: 4.750756591209312
Energy: 6.444885086860804
Energy: 9.131108796121167
Energy: 1.7938269653283339
Energy: 9.13110879612071
Energy: 3.6085874371858853
Energy: 9.117075568677437
Energy: 0.41598872653210595
Energy: 9.117075568678347
Energy: 6.624826596141709
Energy: 0.414843928680019
Energy: 4.610878338588914
Energy: 0.414843928680019
Energy: 3.698161688353206
Energy: 7.705907755954143
Energy: 0.41540552037113876
Energy: 7.705907755954143

minimum gb energy = 0.41449749469415836 eV
minimum distance =  0.00065998263101322 Angstroms
sigma value = 113


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

Energy: 0.014812815398022946
Energy: 10.998693831926943
Energy: 0.8540693151120115
Energy: 0.01607804590886659
Energy: 10.999303109132684
Energy: 10.999584405330303
Energy: 32.56842233874709
Energy: 10.999290601920627
Energy: 0.015470496572506074
Energy: 11.00537043070354
Energy: 32.57483073005997
Energy: 11.005365142322702
Energy: 0.01658937612803138
Energy: 10.999025430283485
Energy: 0.6275582759305378
Energy: 10.999027908467532
Energy: 10.999553180861774
Energy: 10.9990288208195
Energy: 32.563392220209515
Energy: 10.99905299317036
Energy: 0.015298423464476837
Energy: 11.003210465813734
Energy: 0.6284171207111787
Energy: 11.00311471896422

minimum gb energy = 0.014812815398022946 eV
minimum distance =  0.00347892837545652 Angstroms
sigma value = 1