Model name: model_name=EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.045259781181812
cohesive_energy=3.410925190644327
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.2851044242424998e-19, 2.93496328875924e-19, 3.3659488033052395e-19, 3.70210148288478e-19, 3.9732698781892794e-19, 4.1837798661305396e-19, 4.35067860609432e-19, 4.48878623194512e-19, 4.60670643220752e-19, 4.711600936435499e-19, 4.80906134108172e-19, 4.902932870067779e-19, 4.994705547663299e-19, 5.08244074014114e-19, 5.16319044249474e-19, 5.2347436509691795e-19, 5.295866689556279e-19, 5.34623912292924e-19, 5.38621342994754e-19, 5.4166387642272e-19, 5.43860460587934e-19, 5.45329656561312e-19, 5.46172401470796e-19, 5.46447975851844e-19, 5.461403579381159e-19, 5.45103749655918e-19, 5.43109039746588e-19, 5.3983739505996e-19, 5.348866692608999e-19, 5.27926813962804e-19, 5.19007496641326e-19, 5.088512989584e-19, 4.98888964648188e-19, 4.89602748877524e-19, 4.71759307704666e-19, 3.9299790655386e-19, 4.464048624716159e-20, -1.300267275618942e-18, -6.01386612631704e-18, -2.1597661461646797e-17, -7.15343027901588e-17, -2.29779366318378e-16, -7.338738028504319e-16, -2.37200648487066e-15, -7.88097868851528e-15, -2.73454701361218e-14, -1.00828179930888e-13, -4.03400839438422e-13, -1.79889188112252e-12, -9.27041830905276e-12, -5.8080184723807196e-11, -4.771842777873899e-10, -5.8266838301668195e-09, -1.322801889976152e-07]
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: 0.010505023437682495
Energy: 0.23892793801067305
Energy: 0.011113753590861667
Energy: 0.012027600684307959
Energy: 0.23887052569630823
Energy: 0.010830851929826987
Energy: 0.23892793801164702
Energy: 0.05133110307722858
Energy: 0.051202247399430606
Energy: 0.05138587984571674
Energy: 0.05116688643416324
Energy: 0.05129306396138821
Energy: 0.011113753590861667
Energy: 0.051202247399180154
Energy: 0.051528273882276036
Energy: 0.0109206416792492
Energy: 0.051208521511091974
Energy: 0.05183829647290912
Energy: 0.012027600684558406
Energy: 0.05138587984521586
Energy: 0.0109206416792492
Energy: 0.010662114133645654
Energy: 0.051312675476990185
Energy: 0.010845473586278784
Energy: 0.23887052569925796
Energy: 0.05116688643416324
Energy: 0.05120852151134243
Energy: 0.0513126754772128
Energy: 0.05117461416753695
Energy: 0.05120140524808708
Energy: 0.010830851929826987
Energy: 0.05129306396138821
Energy: 0.05183829647315957
Energy: 0.010845473586529228
Energy: 0.05120140524761402
Energy: 0.01101114968173404

minimum gb energy = 0.010505023437682495 eV
minimum distance =  2.85168092002522 Angstroms
sigma value = 1


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

Energy: 0.658233708611359
Energy: 0.501938688032879
Energy: 0.5314045244888221
Energy: 0.6590959564370251
Energy: 0.5021270606956433
Energy: 0.5307867219347032
Energy: 0.6370317705762993
Energy: 0.49917512800740504
Energy: 0.49920167432838786
Energy: 0.5209688555570837
Energy: 0.49941435014273344
Energy: 0.4992592104238496
Energy: 0.6262530686333705
Energy: 0.49846029233271194
Energy: 0.498155170733532
Energy: 0.5113421670419127
Energy: 0.4987176355022786
Energy: 0.4987783528609334
Energy: 0.7188025235461639
Energy: 0.5010561147972263
Energy: 0.4960107835867789
Energy: 0.5018060674817302
Energy: 0.5027388240505137
Energy: 0.5013883839249295
Energy: 0.6722127267627906
Energy: 0.5113288817199473
Energy: 0.5122888746137917
Energy: 0.5158439403806653
Energy: 0.5009974099206798
Energy: 0.5125571643077771
Energy: 0.6231479934490411
Energy: 0.511661784184555
Energy: 0.5121356940551128
Energy: 0.5105699195566038
Energy: 0.5011862378134256
Energy: 0.5108423199189142
Energy: 0.6161110302347385
Energy: 0.5099813076289704
Energy: 0.5112488332112205
Energy: 0.5114403111689625
Energy: 0.5109751719637503
Energy: 0.5100332093714711
Energy: 0.5817788585998752
Energy: 0.514106174808983
Energy: 0.5140971982563111
Energy: 0.5105862776532344
Energy: 0.5143342571897886
Energy: 0.5116503495707664
Energy: 0.501562504792684
Energy: 0.5109297699923623
Energy: 0.5106248029682611
Energy: 0.5023648031480661
Energy: 0.5105674549279281
Energy: 0.5122025117594485
Energy: 0.5006100977803064
Energy: 0.5153012015613697
Energy: 0.5112725571834329
Energy: 0.5000692791973743
Energy: 0.5154172097750479
Energy: 0.5120748356240715
Energy: 0.5423203120782502
Energy: 0.5049126211268509
Energy: 0.4935211104693943
Energy: 0.5425752898699223
Energy: 0.5039760403283702
Energy: 0.500436506272741
Energy: 0.5023436777761084
Energy: 0.4972529489646351
Energy: 0.5010631818503507
Energy: 0.5032313506920802
Energy: 0.5166279596553274
Energy: 0.4984885064676333
Energy: 0.502667391720618
Energy: 0.5056361036961653
Energy: 0.5002466726920423
Energy: 0.5026530512768784
Energy: 0.5177411152124634
Energy: 0.5001614823812539
Energy: 0.5032220985543302
Energy: 0.5027978811440647
Energy: 0.5007038065656745
Energy: 0.5029039022214815
Energy: 0.5023805929392372
Energy: 0.49748474146467603
Energy: 0.5000015011006695
Energy: 0.5190408357834435
Energy: 0.50448534461078
Energy: 0.49907297275727663
Energy: 0.5183253878879599
Energy: 0.5056452653079652
Energy: 0.4972334552992903
Energy: 0.49619359801578433
Energy: 0.49613027116885317
Energy: 0.49771779349195683
Energy: 0.5108970094809842
Energy: 0.4961407648006773
Energy: 0.5364606966457208
Energy: 0.5104899168660224
Energy: 0.5104704938468498
Energy: 0.5143478944335262
Energy: 0.511589071001897
Energy: 0.5005846566160977
Energy: 0.5394630800813017
Energy: 0.5175205792148764
Energy: 0.5165167698556578
Energy: 0.5191656095507365
Energy: 0.5189046522914136
Energy: 0.5163441940508111
Energy: 0.536790024446396
Energy: 0.5177941819636868
Energy: 0.5165518945578639
Energy: 0.5191586686464433
Energy: 0.5184684126749703
Energy: 0.51633883850793
Energy: 0.6595598100748853
Energy: 0.5181483029896493
Energy: 0.5166301914201195
Energy: 0.5189511905122295
Energy: 0.5213402902272953
Energy: 0.5161643385607715
Energy: 0.6609277791374115
Energy: 0.4967701249123085
Energy: 0.49392074178258366
Energy: 0.5041448514398766
Energy: 0.5462399901992556
Energy: 0.4934228107112094
Energy: 0.6494724057280741
Energy: 0.49650318894881723
Energy: 0.49586401460686785
Energy: 0.522536817110141
Energy: 0.49766109587615126
Energy: 0.49610185874207896
Energy: 0.6729068935495729
Energy: 0.4974829432269863
Energy: 0.4976392404965967
Energy: 0.5233753743274041
Energy: 0.49873058463006475
Energy: 0.49803473646949037

minimum gb energy = 0.4934228107112094 eV
minimum distance =  2.53286357900173 Angstroms
sigma value = 33


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

Energy: 0.7900413856753518
Energy: 0.530728185885392
Energy: 0.5273509027740342
Energy: 0.6855606217132886
Energy: 0.5306813337149431
Energy: 0.5443938002457032
Energy: 0.6866432617681535
Energy: 0.5132739863724874
Energy: 0.5134139168149888
Energy: 0.544358279905516
Energy: 0.5144220885690968
Energy: 0.5135576345461268
Energy: 0.652326045406408
Energy: 0.5161326284051052
Energy: 0.5136432872193109
Energy: 0.5225688640382962
Energy: 0.5192616594597336
Energy: 0.5161346349167578
Energy: 0.6672780144338082
Energy: 0.5476638066770849
Energy: 0.5138820377946459
Energy: 0.5680243102006667
Energy: 0.5519417853698441
Energy: 0.5064414930830202
Energy: 0.6049326650923919
Energy: 0.5534654245508785
Energy: 0.5297646102745227
Energy: 0.5403355286774385
Energy: 0.5595913569950143
Energy: 0.54672477700941
Energy: 0.6505563599729615
Energy: 0.5505116386206652
Energy: 0.5520442598349913
Energy: 0.5601615544007896
Energy: 0.5541969254451947
Energy: 0.550699659203124
Energy: 0.6647363613158224
Energy: 0.5514848474987818
Energy: 0.5523181810230582
Energy: 0.5578618634103949
Energy: 0.5462074467293132
Energy: 0.5511623694915105
Energy: 0.6074702469953931
Energy: 0.5238751966572591
Energy: 0.5236458319572806
Energy: 0.576573753411183
Energy: 0.5378331038078066
Energy: 0.5235830804286306
Energy: 0.5340884100179452
Energy: 0.5236451284359306
Energy: 0.5494963787718226
Energy: 0.5340602001852802
Energy: 0.5238819345199782
Energy: 0.5430430077386067
Energy: 0.5341769694567126
Energy: 0.5340729611420931
Energy: 0.5331337872307943
Energy: 0.5340617789232589
Energy: 0.5349793212385374
Energy: 0.5395632921306358
Energy: 0.5905338431311475
Energy: 0.48755684591659837
Energy: 0.48851166943646523
Energy: 0.5523957046935758
Energy: 0.48637066938973444
Energy: 0.4871663240196207
Energy: 0.5276812569875876
Energy: 0.5042061557214949
Energy: 0.5070446942555271
Energy: 0.5244770043843213
Energy: 0.5090662765805242
Energy: 0.5194671167551667
Energy: 0.5287437834583338
Energy: 0.5228765768085955
Energy: 0.5213031184067936
Energy: 0.5287241106341611
Energy: 0.5480458890201858
Energy: 0.5226652301797703
Energy: 0.5850895538817411
Energy: 0.5068488261320537
Energy: 0.5067836382008938
Energy: 0.5417417971582958
Energy: 0.5072362963627984
Energy: 0.506889310464087
Energy: 0.5697942203716004
Energy: 0.5476061020373051
Energy: 0.5508058664817553
Energy: 0.5562606669418951
Energy: 0.5520708362752512
Energy: 0.5536378633245728
Energy: 0.5538502183429057
Energy: 0.5481149857114637
Energy: 0.5492345893143399
Energy: 0.5474526555009855
Energy: 0.5525493250234039
Energy: 0.5492749811859885
Energy: 0.6077441413117727
Energy: 0.5572360902960584
Energy: 0.5588337355897696
Energy: 0.5951046905801726
Energy: 0.5819735028207164
Energy: 0.5566882153034315
Energy: 0.5581224665725042
Energy: 0.5436731160226206
Energy: 0.5409858580941364
Energy: 0.5527102884865057
Energy: 0.5571524739116912
Energy: 0.5278360113321281
Energy: 0.558026290426424
Energy: 0.5342775479374738
Energy: 0.5347937074106346
Energy: 0.537658744032998
Energy: 0.5295088886060269
Energy: 0.5344493360516306
Energy: 0.6961515981982815
Energy: 0.5390038143558565
Energy: 0.5396908315357629
Energy: 0.5562007564883215
Energy: 0.5346660870446159
Energy: 0.5400256374245489
Energy: 0.7813467125568776
Energy: 0.5504686906387732
Energy: 0.5197865413098881
Energy: 0.5196872899518834
Energy: 0.5777202069128015
Energy: 0.5199104491523816
Energy: 0.5501301760954853
Energy: 0.5267695141775963
Energy: 0.5265958393949033
Energy: 0.5286816944082336
Energy: 0.5267259966012687
Energy: 0.5265914462818367
Energy: 0.633315515477439
Energy: 0.5300399923087034
Energy: 0.530010341043153
Energy: 0.535686355924219
Energy: 0.5319049746137345
Energy: 0.5249229161275216
Energy: 0.6666559096057181
Energy: 0.569147871819329
Energy: 0.5696151207198838
Energy: 0.5066442668736468
Energy: 0.5693099610154769
Energy: 0.5376887447914607
Energy: 0.6315321351255887
Energy: 0.5382992307638509
Energy: 0.560726585964682
Energy: 0.5719909151628554
Energy: 0.5608642707655428
Energy: 0.5587779853792391
Energy: 0.6577667680092972
Energy: 0.5493097744893402
Energy: 0.5504596787138515
Energy: 0.5581527283342653
Energy: 0.5528605833746554
Energy: 0.5512265077119907
Energy: 0.6705649210352982
Energy: 0.5524505994194464
Energy: 0.5526010796403115
Energy: 0.572794095893226
Energy: 0.5627660139111762
Energy: 0.5533702301457527
Energy: 0.6192262392024908
Energy: 0.523544393146104
Energy: 0.5272111804773829
Energy: 0.5498923646071464
Energy: 0.5365647709259038
Energy: 0.5515142319425046
Energy: 0.5340956904121371
Energy: 0.5240069960457474
Energy: 0.5249381454146714
Energy: 0.5342478188910152
Energy: 0.5366963291735196
Energy: 0.539935354838621
Energy: 0.5366921216246565
Energy: 0.5314577256620886
Energy: 0.5326856516984408
Energy: 0.5342644048831011
Energy: 0.5381176997613688
Energy: 0.5393445719771471
Energy: 0.5479712311631949
Energy: 0.4873900382498562
Energy: 0.4875743194511612
Energy: 0.5549393332455895
Energy: 0.48823894921258676
Energy: 0.4867783485448354
Energy: 0.5238505170326349
Energy: 0.4872771467151576
Energy: 0.48709720642007465
Energy: 0.5239194190036506
Energy: 0.5113187588485446
Energy: 0.5168964314015384
Energy: 0.5294273841279729
Energy: 0.519280713735647
Energy: 0.5187828916745677
Energy: 0.5298078549123278
Energy: 0.5426640009724621
Energy: 0.5308327337132872
Energy: 0.5275953305395815
Energy: 0.5065757509294396
Energy: 0.5068254519531071
Energy: 0.527330039618255
Energy: 0.5070103407299963
Energy: 0.5366712262149219
Energy: 0.5511931179611883
Energy: 0.5483860020317376
Energy: 0.5473058684525132
Energy: 0.552306674880762
Energy: 0.5577617503921188
Energy: 0.5490603304866668
Energy: 0.5454243094290688
Energy: 0.549240240796913
Energy: 0.5456654729240041
Energy: 0.5493695187333342
Energy: 0.5593534354113991
Energy: 0.5530044184149793
Energy: 0.5449198923429462
Energy: 0.5613412937238197
Energy: 0.561020305025027
Energy: 0.5517189967852124
Energy: 0.566654708135278
Energy: 0.5654839495664014
Energy: 0.5582379560428354
Energy: 0.5589695610924814
Energy: 0.5383882413640008
Energy: 0.5372153779229483
Energy: 0.5639651764348705
Energy: 0.5456374522169543
Energy: 0.5607606647824559
Energy: 0.5271804825598434
Energy: 0.5266313243814837
Energy: 0.537540695658981
Energy: 0.5272218241108262
Energy: 0.5255695859071333
Energy: 0.6298796317915579
Energy: 0.5260001910439733
Energy: 0.5253192877480348
Energy: 0.5250717063030461
Energy: 0.5214122383661411
Energy: 0.5261438207416155
Energy: 0.6791196627132791
Energy: 0.5141475939995861
Energy: 0.49676287305042166
Energy: 0.49712101080606663
Energy: 0.5277080720080748
Energy: 0.5118568658520141

minimum gb energy = 0.48637066938973444 eV
minimum distance =  2.60684528736964 Angstroms
sigma value = 51


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

Energy: 0.6912473876222898
Energy: 0.49664687209561426
Energy: 0.5472346277639236
Energy: 0.6300476705231833
Energy: 0.4980570585581659
Energy: 0.5142019628115091
Energy: 0.5305190187639441
Energy: 0.4963979042981966
Energy: 0.4963825235944273
Energy: 0.5191873545048056
Energy: 0.4964520630947237
Energy: 0.496843749658634
Energy: 0.6345998772970801
Energy: 0.49423381574472974
Energy: 0.4941681469976197
Energy: 0.492112926683842
Energy: 0.49521876110265406
Energy: 0.4942839630689807
Energy: 0.6291154095706233
Energy: 0.49445468185712094
Energy: 0.49468994146368406
Energy: 0.4916249709827769
Energy: 0.5260453438700096
Energy: 0.4913868376656914
Energy: 0.5883946348467792
Energy: 0.518305601449981
Energy: 0.5181016504899791
Energy: 0.5108859152240877
Energy: 0.5172638868731609
Energy: 0.5178834377120953
Energy: 0.5307302241775328
Energy: 0.5168487835552416
Energy: 0.5182323798895437
Energy: 0.5165774545578546
Energy: 0.5177649519842913
Energy: 0.5178787520655656
Energy: 0.5307800760152521
Energy: 0.5184932173040442
Energy: 0.5177967650324187
Energy: 0.5166067672687522
Energy: 0.5168699248977304
Energy: 0.5181798598407431
Energy: 0.549378610487158
Energy: 0.4887699075990747
Energy: 0.4886115513033819
Energy: 0.5255240696160106
Energy: 0.4887832031242033
Energy: 0.4889625587829781
Energy: 0.49512011185199334
Energy: 0.4888048915809796
Energy: 0.48869609710333767
Energy: 0.4951001737234606
Energy: 0.48873640382841993
Energy: 0.4947993302846969
Energy: 0.49654147141113025
Energy: 0.49701840324649
Energy: 0.49683701601106744
Energy: 0.49652920255957034
Energy: 0.4986312242442001
Energy: 0.4965795780781433
Energy: 0.5126791977345879
Energy: 0.4939240870058035
Energy: 0.4940211102816777
Energy: 0.5130297308422495
Energy: 0.4941530071048861
Energy: 0.49369902127285936
Energy: 0.4922408793483992
Energy: 0.4976181334934266
Energy: 0.4968861461953649
Energy: 0.4927175420436297
Energy: 0.518222309330114
Energy: 0.49684697138558626
Energy: 0.491705111645874
Energy: 0.4921917668384795
Energy: 0.4981231858278171
Energy: 0.49255577513097726
Energy: 0.49792893564523694
Energy: 0.49206120434713374
Energy: 0.4925781782035288
Energy: 0.4920629805222249
Energy: 0.49232479344154134
Energy: 0.4931711425187879
Energy: 0.4922516619889219
Energy: 0.49273353336427766
Energy: 0.5648432901315057
Energy: 0.49222907617298656
Energy: 0.4921511133469199
Energy: 0.49466992259110826
Energy: 0.49224853143310643
Energy: 0.49187979936665976
Energy: 0.5669045876874824
Energy: 0.49268199647417626
Energy: 0.4922761811591432
Energy: 0.49479830498906624
Energy: 0.49196312916469653
Energy: 0.4947453358171427
Energy: 0.5866085207408913
Energy: 0.49233235089661576
Energy: 0.492176292873337
Energy: 0.5112322283875488
Energy: 0.4922286007527559
Energy: 0.4922280525917613
Energy: 0.6985443909354856
Energy: 0.49677041951789824
Energy: 0.49769744220384765
Energy: 0.4877974389382138
Energy: 0.49540088049717457
Energy: 0.49763112811691035

minimum gb energy = 0.4877974389382138 eV
minimum distance =  2.65429057305869 Angstroms
sigma value = 19


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

Energy: 0.5826220669158605
Energy: 0.43054751235989125
Energy: 0.44348641243768766
Energy: 0.5816020484721048
Energy: 0.4304827407089025
Energy: 0.5417330775005355
Energy: 0.5025868150148494
Energy: 0.4305566334492459
Energy: 0.43062787956356824
Energy: 0.4454784095835602
Energy: 0.43058619353199445
Energy: 0.43068069961036964
Energy: 0.5025776033142035
Energy: 0.4306754863684084
Energy: 0.43072732270166886
Energy: 0.43084649232368716
Energy: 0.4306891504255181
Energy: 0.4306591651118293
Energy: 0.502212318520336
Energy: 0.43081715458473124
Energy: 0.43083833090637447
Energy: 0.5022205522929825
Energy: 0.43075099660204236
Energy: 0.4308971571975528
Energy: 0.4876251977377337
Energy: 0.43057369588166927
Energy: 0.4460806062995452
Energy: 0.4454795866334981
Energy: 0.43056598198069523
Energy: 0.4464729147354659
Energy: 0.5027303907992345
Energy: 0.4194258169034082
Energy: 0.44618693563839884
Energy: 0.4459438983817677
Energy: 0.41931547577770056
Energy: 0.44591175658794824
Energy: 0.5024798533810667
Energy: 0.42274330554024336
Energy: 0.4460967683772648
Energy: 0.4457304326235782
Energy: 0.42298364822066764
Energy: 0.44631097209021364
Energy: 0.4874327769926142
Energy: 0.419598179715192
Energy: 0.4194191665564845
Energy: 0.48761257563229554
Energy: 0.4196503973402897
Energy: 0.4195263467905724
Energy: 0.430799116898528
Energy: 0.4196017750300161
Energy: 0.41952704380029043
Energy: 0.4308844411989445
Energy: 0.41978813552653593
Energy: 0.4196176903964537
Energy: 0.4307487035436015
Energy: 0.43069188688230076
Energy: 0.430689626292624
Energy: 0.43065502006763806
Energy: 0.4454158117647001
Energy: 0.43059923524625476
Energy: 0.4306676917474501
Energy: 0.48662138412894207
Energy: 0.4448275801996733
Energy: 0.43070837803434653
Energy: 0.4873090938700458
Energy: 0.43085195400055615
Energy: 0.5026872076392699
Energy: 0.445478828336942
Energy: 0.4453221541108638
Energy: 0.4304888594547453
Energy: 0.44538067207510457
Energy: 0.43054135228038115
Energy: 0.41939718548138144
Energy: 0.4456141527084157
Energy: 0.44537534225510955
Energy: 0.42092439536779414
Energy: 0.44564434087107907
Energy: 0.48936046715164633
Energy: 0.5032417853136844
Energy: 0.4457054380149015
Energy: 0.44564832717449876
Energy: 0.43068589007751884
Energy: 0.4456493409563277
Energy: 0.4464451915080133
Energy: 0.582758349808107
Energy: 0.43066222084487826
Energy: 0.4307117102303579
Energy: 0.4197654619059665
Energy: 0.4305060210849498
Energy: 0.41965929585831396
Energy: 0.5865695097100087
Energy: 0.43063983679360107
Energy: 0.4194282880542371
Energy: 0.4199284632618168
Energy: 0.43065594518927497
Energy: 0.4196135471055355
Energy: 0.5033174889948706
Energy: 0.43059035471519996
Energy: 0.43053847163154185
Energy: 0.4454852259326422
Energy: 0.43209923655329174
Energy: 0.43059593354055326
Energy: 0.5007808214691677
Energy: 0.43082881039642507
Energy: 0.43082854291466227
Energy: 0.4453864836335396
Energy: 0.43076603146755177
Energy: 0.4307694931166191
Energy: 0.500424062412574
Energy: 0.4306774139273216
Energy: 0.4306087374201736
Energy: 0.4450979616026242
Energy: 0.43063542380413194
Energy: 0.4307457758857661
Energy: 0.502524640756557
Energy: 0.41934577657843375
Energy: 0.4460407123522881
Energy: 0.44557281989159114
Energy: 0.4193001522708716
Energy: 0.44570806203756685
Energy: 0.5029966224323166
Energy: 0.44545018301629546
Energy: 0.4460108739863623
Energy: 0.48672438867913626
Energy: 0.44546928682948844
Energy: 0.4455411333201829
Energy: 0.5028998938042714
Energy: 0.445471561344176
Energy: 0.4454915011110422
Energy: 0.4454983179985499
Energy: 0.42286316338999863
Energy: 0.44531157430476387
Energy: 0.4874957506404183
Energy: 0.4195430913830093
Energy: 0.4195905913122506
Energy: 0.48743519137220354
Energy: 0.41966359482668686
Energy: 0.4203009796502098
Energy: 0.4305582473667137
Energy: 0.4306277094217131
Energy: 0.4308484180110816
Energy: 0.4305981877850342
Energy: 0.4398606500025107
Energy: 0.43064794778861876
Energy: 0.43081397486766754
Energy: 0.43085259332702075
Energy: 0.4306235088069917
Energy: 0.43059842826938755
Energy: 0.4454883629612884
Energy: 0.4307542821889941
Energy: 0.48889417068551905
Energy: 0.44507568621226523
Energy: 0.44504511242354056
Energy: 0.48866987028084624
Energy: 0.44577695986730925
Energy: 0.4308382006473402
Energy: 0.5025976923464726
Energy: 0.44538251409180996
Energy: 0.4467137362751727
Energy: 0.4454225176180827
Energy: 0.4455156835687181
Energy: 0.4461173509583551
Energy: 0.41935842336601925
Energy: 0.4456418072660987
Energy: 0.44649715521457406
Energy: 0.4193463836118322
Energy: 0.44564913680722734
Energy: 0.4459287506506724
Energy: 0.4871917597843041
Energy: 0.4457217855981019
Energy: 0.44651440036239065
Energy: 0.4308346677786346
Energy: 0.44546249026023554
Energy: 0.44588979272209134
Energy: 0.5828657712293612
Energy: 0.43077162176369366
Energy: 0.41949805668667123
Energy: 0.42011256934897573
Energy: 0.48807071576998673
Energy: 0.4196238910502658

minimum gb energy = 0.4193001522708716 eV
minimum distance =  2.70794459019642 Angstroms
sigma value = 27


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

Energy: 0.5102828018336241
Energy: 0.4789569020944014
Energy: 0.5287204495910058
Energy: 0.5104456511950097
Energy: 0.4597017577578283
Energy: 0.5294374405852391
Energy: 0.5172572729031977
Energy: 0.459782798574311
Energy: 0.45977561821753954
Energy: 0.4539451567403144
Energy: 0.4597441666156163
Energy: 0.45984614655106815
Energy: 0.4681522650498383
Energy: 0.45852647174405226
Energy: 0.4581815818754676
Energy: 0.4824454954648407
Energy: 0.46216593605141243
Energy: 0.4586513038505465
Energy: 0.46942919798306343
Energy: 0.45873421396947134
Energy: 0.45844670853293645
Energy: 0.48090671319904715
Energy: 0.4707452356727476
Energy: 0.510160230987609
Energy: 0.5170191082049392
Energy: 0.4104656915823768
Energy: 0.45401203539908924
Energy: 0.4811056294313142
Energy: 0.4107139424813007
Energy: 0.4522832607043296
Energy: 0.4586651943290267
Energy: 0.5075599793974609
Energy: 0.5061658885517488
Energy: 0.4585141579035443
Energy: 0.5033620488738598
Energy: 0.4175641721449715
Energy: 0.46113146861422616
Energy: 0.4625702482342437
Energy: 0.45956812173380557
Energy: 0.4606751722422528
Energy: 0.45405976255973274
Energy: 0.4595691578494786
Energy: 0.4594371492504931
Energy: 0.5094869843482193
Energy: 0.4526605366290678
Energy: 0.4595090225746959
Energy: 0.5087182111660542
Energy: 0.45763073089026374
Energy: 0.46838057635668146
Energy: 0.4526503657744786
Energy: 0.46035321000467966
Energy: 0.4597475162943117
Energy: 0.4438659704698097
Energy: 0.46001753682542645
Energy: 0.42353846499027265
Energy: 0.4444719632701604
Energy: 0.44333329268041294
Energy: 0.46909110043240476
Energy: 0.4363486152192802
Energy: 0.4671709893414851
Energy: 0.4679340730109081
Energy: 0.46644666041507404
Energy: 0.4686525841987426
Energy: 0.4672615611765943
Energy: 0.46680705853052884
Energy: 0.46645008915839037
Energy: 0.4240040768194862
Energy: 0.4604180003369356
Energy: 0.4602837043490375
Energy: 0.4366355180905811
Energy: 0.43667602895180097
Energy: 0.4431967727496477

minimum gb energy = 0.4104656915823768 eV
minimum distance =  2.68676378264379 Angstroms
sigma value = 9


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

Energy: 0.779155727794696
Energy: 0.4934041215807583
Energy: 0.4730784314693099
Energy: 0.4707153449560741
Energy: 0.49332011020012567
Energy: 0.6816808965683178
Energy: 0.40790418695919156
Energy: 0.4046382762876027
Energy: 0.40455779938170183
Energy: 0.439255013707391
Energy: 0.40480898594536985
Energy: 0.40453531602926546
Energy: 0.40817868624192144
Energy: 0.4055598615513375
Energy: 0.40541562410228055
Energy: 0.4184851579909943
Energy: 0.40560157480360315
Energy: 0.4049578953001774
Energy: 0.40975534642281025
Energy: 0.4331851899929951
Energy: 0.4220048379695725
Energy: 0.417197261218111
Energy: 0.40921775005023
Energy: 0.4050102537431298
Energy: 0.4423146870199393
Energy: 0.44595547734296437
Energy: 0.4706624516459534
Energy: 0.46970712123908664
Energy: 0.4493978535436773
Energy: 0.4372958660738828
Energy: 0.4348684016375089
Energy: 0.39688456437001984
Energy: 0.4694961968832034
Energy: 0.4349452821920142
Energy: 0.39964434937732096
Energy: 0.43950951239663655
Energy: 0.43598122563459785
Energy: 0.44075637381826427
Energy: 0.4354074499439673
Energy: 0.43436425976418147
Energy: 0.45306868255202004
Energy: 0.43473505884303953
Energy: 0.4339676674793813
Energy: 0.4176422328915059
Energy: 0.4299229252494348
Energy: 0.43398565759403274
Energy: 0.41676591802134955
Energy: 0.4333891369572298
Energy: 0.4155819966199797
Energy: 0.4251078176998704
Energy: 0.4493151777675249
Energy: 0.5131006442777797
Energy: 0.4259760405544723
Energy: 0.4572020540375063
Energy: 0.5913525462355876
Energy: 0.43359233459351104
Energy: 0.45454345885663866
Energy: 0.3988229532624827
Energy: 0.42536329464109307
Energy: 0.41792374091920714
Energy: 0.38370258075973773
Energy: 0.4332795815596252
Energy: 0.4339817959980471
Energy: 0.3998295463530051
Energy: 0.4340718735032028
Energy: 0.4339575159406486
Energy: 0.4486645796291622
Energy: 0.43497004677206386
Energy: 0.43505289078508586
Energy: 0.45086663374082553
Energy: 0.43493213696519417
Energy: 0.43767472724473677
Energy: 0.6868792969798099
Energy: 0.4354500939690011
Energy: 0.43274496467573753
Energy: 0.45633857667031447
Energy: 0.43550461994857903
Energy: 0.6172168089269355
Energy: 0.44754207717021066
Energy: 0.4342095487646236
Energy: 0.4347875183783113
Energy: 0.45077157650893546
Energy: 0.4339844520006238
Energy: 0.43284908011007633
Energy: 0.4059612807003698
Energy: 0.4322887058079944
Energy: 0.43468851952479653
Energy: 0.40623888153779203
Energy: 0.43229259141437265
Energy: 0.4950184855965317
Energy: 0.4060341381206438
Energy: 0.415667170339117
Energy: 0.4052557511099784
Energy: 0.40671758480129483
Energy: 0.41691574784417806
Energy: 0.40499133110307023
Energy: 0.40443946798272645
Energy: 0.44611137490319075
Energy: 0.43725843064608955
Energy: 0.40444863643483864
Energy: 0.44622885110931887
Energy: 0.4048873267972951
Energy: 0.40941795247822493
Energy: 0.4502055365094282
Energy: 0.470559438159539
Energy: 0.4048132777636873
Energy: 0.423783531996801
Energy: 0.4340813870999912
Energy: 0.40823360275453613
Energy: 0.41585462458014366
Energy: 0.3969827057315469
Energy: 0.40995138846654133
Energy: 0.4386411959595384
Energy: 0.4052465370242676
Energy: 0.4088267299575838
Energy: 0.41136769218844255
Energy: 0.4097585586698156
Energy: 0.4099311133752033
Energy: 0.41036272350842357
Energy: 0.40990165452434935
Energy: 0.4081247437436511
Energy: 0.4100469247653385
Energy: 0.4092046641576708
Energy: 0.4052099875569568
Energy: 0.4097959221140221
Energy: 0.39544028565582307
Energy: 0.439879412347699
Energy: 0.4046179750098078
Energy: 0.4243851569858429
Energy: 0.4456982160210478
Energy: 0.404723902617449
Energy: 0.4396854566986304
Energy: 0.4353340162370881
Energy: 0.4046625539433073
Energy: 0.40477863213488324
Energy: 0.44885711385271426
Energy: 0.40471022322980643
Energy: 0.4248801728388505
Energy: 0.4083492549394163
Energy: 0.40498120853637115
Energy: 0.4066157666584458
Energy: 0.4158514245900302
Energy: 0.4078479454872935
Energy: 0.40532273621025466
Energy: 0.5131936703626057
Energy: 0.4057129954604926
Energy: 0.40478266514280065
Energy: 0.4594072675373261
Energy: 0.40619680682401027
Energy: 0.49502842576494516
Energy: 0.4085633486272606
Energy: 0.4117086341563017
Energy: 0.41176366105070844
Energy: 0.4351217118937902
Energy: 0.41157033795899073
Energy: 0.46371290163347395
Energy: 0.4354807908014404
Energy: 0.5546337840178602
Energy: 0.55245275915391
Energy: 0.43549251618297735
Energy: 0.4621991257352109
Energy: 0.44025445319026746
Energy: 0.44351672574968976
Energy: 0.41559986539470367
Energy: 0.4350372647926214
Energy: 0.435247530210883
Energy: 0.4259528799573921
Energy: 0.43514924105104835
Energy: 0.4352944577976985
Energy: 0.42438636092639376
Energy: 0.43414479003788736
Energy: 0.43560805830121574
Energy: 0.42566475690974354
Energy: 0.4341509615695875
Energy: 0.41503045979288317
Energy: 0.4179251776414533
Energy: 0.4473675304189778
Energy: 0.413927704899292
Energy: 0.41664000656732897
Energy: 0.4469491348336343
Energy: 0.3837425713732501
Energy: 0.43392706921432306
Energy: 0.4333139106505685
Energy: 0.4007951776826005
Energy: 0.4567376827053266
Energy: 0.4657887844626704
Energy: 0.38394602488394464
Energy: 0.43378699130303555
Energy: 0.4333980689078534
Energy: 0.3988823000647432
Energy: 0.4337900941564844
Energy: 0.4369021854683962
Energy: 0.4100746770495718
Energy: 0.43469058235867447
Energy: 0.4346268376072946
Energy: 0.45182258333925757
Energy: 0.4350908756352541
Energy: 0.43449229210353657
Energy: 0.4094880048495453
Energy: 0.4350573562465388
Energy: 0.4350922204424285
Energy: 0.4263257733469399
Energy: 0.43511616787774443
Energy: 0.43325610828901984
Energy: 0.4101524802504622
Energy: 0.4345979084776192
Energy: 0.4348993114794735
Energy: 0.4249229288136137
Energy: 0.43772605776080054
Energy: 0.4635929707278244
Energy: 0.4099837493780503
Energy: 0.43408192390983913
Energy: 0.4057477672469423
Energy: 0.4090449298029705
Energy: 0.4336782747846818
Energy: 0.4545891780855215
Energy: 0.4065825555277315
Energy: 0.41726054112940075
Energy: 0.3999179721587938
Energy: 0.40602021524132753
Energy: 0.4181921471338651
Energy: 0.4055353274243859
Energy: 0.40443716406364555
Energy: 0.4168273497533604
Energy: 0.4051565998451914
Energy: 0.4045588610082023
Energy: 0.4172206108230814
Energy: 0.4047324795193984
Energy: 0.4046908828982647
Energy: 0.5083516644932828
Energy: 0.6172812294836413
Energy: 0.4047628883898025
Energy: 0.45508847551555404
Energy: 0.48509427812105965
Energy: 0.40752309345622273
Energy: 0.41659566585245655
Energy: 0.4023066587721257
Energy: 0.40450824764816873
Energy: 0.41620130524066273
Energy: 0.4048715775141443
Energy: 0.4087049579745642
Energy: 0.4103335662641841
Energy: 0.40457732448114186
Energy: 0.40949009088058175
Energy: 0.40973894123845506
Energy: 0.41031166116813056
Energy: 0.4086355901793478
Energy: 0.41185824822345135
Energy: 0.4098443201430117
Energy: 0.40975621301638343
Energy: 0.4106239920462398
Energy: 0.4090286681352375
Energy: 0.43540655076212337
Energy: 0.4047158406972997
Energy: 0.4048036230363134
Energy: 0.448458290582235
Energy: 0.40455316872466207
Energy: 0.42432147833487166

minimum gb energy = 0.38370258075973773 eV
minimum distance =  2.65499685648215 Angstroms
sigma value = 57


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

Energy: 0.31738882411760877
Energy: 0.3519402808694064
Energy: 0.219786544971922
Energy: 0.2040414756161116
Energy: 0.3639431760928733
Energy: 0.33135144365676006
Energy: 0.42932279689386094
Energy: 0.3756415554406562
Energy: 0.37090010682328045
Energy: 0.37560091104595017
Energy: 0.3773052595810448
Energy: 0.3696606408661009
Energy: 0.4315335512938789
Energy: 0.4112697648672405
Energy: 0.4104383517933313
Energy: 0.4282157212712909
Energy: 0.42257099827037403
Energy: 0.4279586452452516
Energy: 0.43402413802088147
Energy: 0.40193126527021
Energy: 0.43500165673668156
Energy: 0.3947699018617549
Energy: 0.3907599789353068
Energy: 0.4152833145134161
Energy: 0.4256441327446955
Energy: 0.2589349186807991
Energy: 0.26352812466178044
Energy: 0.4257118369970574
Energy: 0.20260477971832566
Energy: 0.42423668880476306
Energy: 0.42326025247778537
Energy: 0.25849485649625237
Energy: 0.25881426870007945
Energy: 0.4243090508828582
Energy: 0.20257659516402782
Energy: 0.21820710472604174
Energy: 0.4237209144417912
Energy: 0.40167090233587566
Energy: 0.41645999353265634
Energy: 0.42518865460888294
Energy: 0.42228545202855405
Energy: 0.42456179241412917
Energy: 0.4233086906207721
Energy: 0.43053580643675526
Energy: 0.428579656476787
Energy: 0.42291418777931766
Energy: 0.43382539294465844
Energy: 0.4251705625070682
Energy: 0.4446616040040755
Energy: 0.4250120958206855
Energy: 0.4228607508043336
Energy: 0.42393551263975693
Energy: 0.4345473140156898
Energy: 0.440730734964504
Energy: 0.2025815489965957
Energy: 0.4465579551983
Energy: 0.21866327680877107
Energy: 0.20260741275509264
Energy: 0.4602520578470955
Energy: 0.20314053948901584
Energy: 0.20257710199004775
Energy: 0.4346707381582908
Energy: 0.4292769564531855
Energy: 0.2025764260594079
Energy: 0.4215805705614089
Energy: 0.22048727604160245
Energy: 0.4436932022076803
Energy: 0.43505921151934396
Energy: 0.43633161774545687
Energy: 0.4250967520965333
Energy: 0.4227130729513479
Energy: 0.4234183048521204
Energy: 0.4447096799635636
Energy: 0.4392015416431937
Energy: 0.44078147901840525
Energy: 0.44403258652914857
Energy: 0.44276656885699056
Energy: 0.4452479748998049
Energy: 0.44001002883108103
Energy: 0.421974296855667
Energy: 0.43376860100655235
Energy: 0.4399723690469303
Energy: 0.4221237031851796
Energy: 0.42164868544463485
Energy: 0.4412235643048168
Energy: 0.20260078113391589
Energy: 0.2025905509089754
Energy: 0.43972115869931255
Energy: 0.26163276070177505
Energy: 0.26510826586422054
Energy: 0.40377774150710855
Energy: 0.40479183403149355
Energy: 0.4161951993881383
Energy: 0.39496396980444753
Energy: 0.2585416403828262
Energy: 0.3974632122190961
Energy: 0.41129675942870003
Energy: 0.4011357943467148
Energy: 0.39708717252491965
Energy: 0.39670716859997457
Energy: 0.4125177979110145
Energy: 0.40754208449643387
Energy: 0.43172043567409357
Energy: 0.42746777488261756
Energy: 0.3914728843492331
Energy: 0.3969938719194076
Energy: 0.41106079394176764
Energy: 0.4347438528816471
Energy: 0.31769991620394267
Energy: 0.37592102997168003
Energy: 0.370951520101568
Energy: 0.20261052056090453
Energy: 0.39198528970623686
Energy: 0.36275590963796484

minimum gb energy = 0.2025764260594079 eV
minimum distance =  2.64317220518729 Angstroms
sigma value = 11


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

Energy: 0.6658069504289333
Energy: 0.37680468133707945
Energy: 0.4782052405660332
Energy: 0.5363595165334591
Energy: 0.37711750368865143
Energy: 0.47702779463737444
Energy: 0.37637829202475975
Energy: 0.3769098801529072
Energy: 0.38903356656670274
Energy: 0.3778331507395721
Energy: 0.37690504067329955
Energy: 0.399914731123907
Energy: 0.3752760304181117
Energy: 0.37941695815179155
Energy: 0.37567370780014153
Energy: 0.3762905213085353
Energy: 0.3770698053551954
Energy: 0.3706959407290295
Energy: 0.3751894650978293
Energy: 0.40328738806521097
Energy: 0.3942516849975065
Energy: 0.3760774789702502
Energy: 0.379129809455088
Energy: 0.37106602428985963
Energy: 0.37606310945561
Energy: 0.40753739272303524
Energy: 0.37761590193085376
Energy: 0.376121470958213
Energy: 0.42184829297612175
Energy: 0.38879197388609504
Energy: 0.467346809251931
Energy: 0.45442683981240434
Energy: 0.39912505523411657
Energy: 0.4674055052231571
Energy: 0.46626619705704564
Energy: 0.37041689880591155
Energy: 0.4602527120079965
Energy: 0.37165844996759984
Energy: 0.3710112253194236
Energy: 0.37961308614052863
Energy: 0.3891476878019409
Energy: 0.4018767728281265
Energy: 0.39103051291772645
Energy: 0.3970481353912082
Energy: 0.3975919265444633
Energy: 0.3916663615677121
Energy: 0.40365466640133774
Energy: 0.42524586102815337
Energy: 0.46914723307760475
Energy: 0.3722381958271856
Energy: 0.3936255448217393
Energy: 0.3892573702007892
Energy: 0.371808725909367
Energy: 0.3784688914774081
Energy: 0.5727769281349702
Energy: 0.3718953555262268
Energy: 0.37213607189341724
Energy: 0.4948437525119703
Energy: 0.3719272285723988
Energy: 0.40246252590802
Energy: 0.5584527588049453
Energy: 0.39764447221092014
Energy: 0.38108342024457187
Energy: 0.4065332549356594
Energy: 0.3722530644105898
Energy: 0.37783008335193097
Energy: 0.4947617819820912
Energy: 0.36586593826798547
Energy: 0.3702692132704255
Energy: 0.495123827193559
Energy: 0.3632615300288018
Energy: 0.3755641357504994
Energy: 0.43610196928568384
Energy: 0.36529671009919823
Energy: 0.37986384996791117
Energy: 0.4309242186820967
Energy: 0.36267344259895995
Energy: 0.3758970698027249
Energy: 0.4064852936946668
Energy: 0.3891615296632183
Energy: 0.4003958290388518
Energy: 0.40658108097110207
Energy: 0.38684862005702814
Energy: 0.40329500118455003
Energy: 0.4060144463945289
Energy: 0.5205167309018537
Energy: 0.5202740642403034
Energy: 0.4061886784761651
Energy: 0.5181677579484656
Energy: 0.40616098979192916
Energy: 0.5714035180016755
Energy: 0.40801704615300916
Energy: 0.38541217594769533
Energy: 0.5046988377947695
Energy: 0.40719244572730756
Energy: 0.38527628273188674
Energy: 0.5199939265161647
Energy: 0.5385666866652031
Energy: 0.43224597359900996
Energy: 0.49735287623309166
Energy: 0.5377741474119697
Energy: 0.43463306618108355
Energy: 0.5751637291204759
Energy: 0.4327897236120019
Energy: 0.4246272236273867
Energy: 0.37961233603562267
Energy: 0.40713211906359204
Energy: 0.37765471475573925
Energy: 0.5529156150701819
Energy: 0.40957038671481466
Energy: 0.4078006717324896
Energy: 0.37098957493212054
Energy: 0.4309153610327998
Energy: 0.3742183000877353
Energy: 0.45480469147950364
Energy: 0.43608409709382207
Energy: 0.43381870629961805
Energy: 0.4440363677739975
Energy: 0.4915467991334109
Energy: 0.43531042333264297
Energy: 0.554559922425721
Energy: 0.4069017548533607
Energy: 0.3910377969414623
Energy: 0.37172848730845265
Energy: 0.4326785768427635
Energy: 0.37752718488753806
Energy: 0.3705371642607019
Energy: 0.48644550662661773
Energy: 0.4865851729458424
Energy: 0.3707985977800918
Energy: 0.5373293383040554
Energy: 0.3784493586439995
Energy: 0.37212271406934033
Energy: 0.3749130072115359
Energy: 0.3900384439853844
Energy: 0.3721344335367328
Energy: 0.37755159438678343
Energy: 0.39883530872329825
Energy: 0.3967281851090592
Energy: 0.3791427513713769
Energy: 0.3701479827041414
Energy: 0.39759402396877064
Energy: 0.37612382431121333
Energy: 0.3711728391915224
Energy: 0.40647449636095284
Energy: 0.3792345787474525
Energy: 0.3757291702941422
Energy: 0.40692861232373734
Energy: 0.37672880504428063
Energy: 0.41306654368566037
Energy: 0.5429191894400583
Energy: 0.3916812142928929
Energy: 0.3894042146665122
Energy: 0.4338797922193212
Energy: 0.37716944577725314
Energy: 0.37174541116191145

minimum gb energy = 0.36267344259895995 eV
minimum distance =  2.59774221515712 Angstroms
sigma value = 41


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

Energy: 0.6509374044165276
Energy: 0.4894539038748985
Energy: 0.46261894005483983
Energy: 0.5165327291040197
Energy: 0.48953523132022203
Energy: 0.5137684352655828
Energy: 0.41450156016013046
Energy: 0.41383460003784145
Energy: 0.41696624557466794
Energy: 0.4116205210320237
Energy: 0.41402493793206846
Energy: 0.41607262465058625
Energy: 0.41323443191780446
Energy: 0.4129546664090263
Energy: 0.4134491049471863
Energy: 0.41421076913196336
Energy: 0.41306035896239296
Energy: 0.41735450454393885
Energy: 0.412629861358749
Energy: 0.41863609489328996
Energy: 0.41743925159253137
Energy: 0.413464060092481
Energy: 0.41290991290782175
Energy: 0.40949969339224296
Energy: 0.4143277864614775
Energy: 0.4405689397909682
Energy: 0.41825763014571654
Energy: 0.4143276755220831
Energy: 0.4330961909869052
Energy: 0.4346599739971435
Energy: 0.5338472876089363
Energy: 0.4172878114242328
Energy: 0.41385066616958305
Energy: 0.4138186976557408
Energy: 0.4886112445377857
Energy: 0.4139807008455607
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Energy: 0.4109916786088019
Energy: 0.4093894363624651
Energy: 0.41491185568620764
Energy: 0.42314739642408034
Energy: 0.4190980218548085
Energy: 0.4429976209489205
Energy: 0.40849511926795107
Energy: 0.42634545205215674
Energy: 0.4440927070207602
Energy: 0.42637804975993154
Energy: 0.44440136175560074
Energy: 0.5331525087039254
Energy: 0.42910651711437015
Energy: 0.409444524496999
Energy: 0.4219575399875492
Energy: 0.43076756414003003
Energy: 0.42497918295095843
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Energy: 0.4331274875693381
Energy: 0.43297917816607095
Energy: 0.44697265774596756
Energy: 0.4331769500520358
Energy: 0.4153522015391333
Energy: 0.5268140082003511
Energy: 0.41531793792065486
Energy: 0.4194469288994593
Energy: 0.41261294216379363
Energy: 0.4153773014618151
Energy: 0.42403735466093095
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Energy: 0.39863222983983726
Energy: 0.4323563229058918
Energy: 0.4715182275418618
Energy: 0.3921972025058454
Energy: 0.4194002914682961
Energy: 0.430906735469994
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Energy: 0.44505436448746555
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Energy: 0.4195587962092166
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Energy: 0.4551093598091811
Energy: 0.4922650437458847
Energy: 0.4924959058678892
Energy: 0.4548933091433848
Energy: 0.4925165488818777
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Energy: 0.4143907930978532
Energy: 0.413581673066652
Energy: 0.41722176142328365
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Energy: 0.4141981441012076
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Energy: 0.6184456492710404
Energy: 0.42081993486159425
Energy: 0.3915092036796455
Energy: 0.42512912563570027
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Energy: 0.41806289197678864
Energy: 0.4654299314031381
Energy: 0.41477801218896787
Energy: 0.40860805492689284
Energy: 0.4130828035414243
Energy: 0.41271532129408917
Energy: 0.4091477983246867
Energy: 0.41387081735345554
Energy: 0.41370094881122316
Energy: 0.40897000089935226
Energy: 0.41470991532052015
Energy: 0.41310655851518546
Energy: 0.4150303297221253
Energy: 0.4127196372811215
Energy: 0.41263625501937007
Energy: 0.4131936432917062
Energy: 0.41396236395958114
Energy: 0.4291843759833519
Energy: 0.42829478251890024
Energy: 0.41402132495163413
Energy: 0.4114505592940841
Energy: 0.4266844085032227
Energy: 0.6246501883955551
Energy: 0.46431514651660377
Energy: 0.4644592174663423
Energy: 0.6248068560964397
Energy: 0.4648678378027366
Energy: 0.4710791447290405
Energy: 0.5307082842469717
Energy: 0.4300522348828422
Energy: 0.41568855052460685
Energy: 0.4140564210088428
Energy: 0.41147104701823745
Energy: 0.41706168647574987
Energy: 0.4431011728913318
Energy: 0.4543690843737287
Energy: 0.45169383150413617
Energy: 0.44431747559279816
Energy: 0.4545591213358221
Energy: 0.4438191617402769
Energy: 0.5295494867787937
Energy: 0.4271139690374256
Energy: 0.421990331347769
Energy: 0.41454641566389755
Energy: 0.40928005432458653
Energy: 0.4179446483861906
Energy: 0.5272861470459074
Energy: 0.4150057153713708
Energy: 0.41565082831604083
Energy: 0.4124612406818486
Energy: 0.4148118167673055
Energy: 0.4194654745804915
Energy: 0.5313394090181274
Energy: 0.4308908354168903
Energy: 0.4149695643276749
Energy: 0.4469992603949198
Energy: 0.4720213121798242
Energy: 0.4193239202432569
Energy: 0.5329892751572322
Energy: 0.3993488668367704
Energy: 0.4352400941364091
Energy: 0.4233727946887784
Energy: 0.39380600162238694
Energy: 0.447613404948426
Energy: 0.433822402671962
Energy: 0.42521795597728473
Energy: 0.42500895371333614
Energy: 0.4332022342442292
Energy: 0.4250796724146981
Energy: 0.42531624527493883
Energy: 0.43087297220619314
Energy: 0.4458814554218655
Energy: 0.4361665470411674
Energy: 0.4313822433367742
Energy: 0.4483405090169043
Energy: 0.4358267619222971
Energy: 0.4533039722942609
Energy: 0.44860615219703415
Energy: 0.44363867525598044
Energy: 0.4511369423947359
Energy: 0.41309624795678096
Energy: 0.45051731544962337
Energy: 0.4138744507142122
Energy: 0.4130033547306226
Energy: 0.4218707148358527
Energy: 0.41410006228816515
Energy: 0.4141178353564978
Energy: 0.4088973108995061
Energy: 0.6273559376427051
Energy: 0.4199592967502462
Energy: 0.3991591626251013
Energy: 0.6295794914762157
Energy: 0.4148321321171196
Energy: 0.4074614587159493

minimum gb energy = 0.39086377116009247 eV
minimum distance =  2.61057666441741 Angstroms
sigma value = 33


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

Energy: 0.49023055579451374
Energy: 0.48339704466406624
Energy: 0.6121395519663078
Energy: 0.489686005212942
Energy: 0.4828525112673912
Energy: 0.6109928284868189
Energy: 0.4559584602089338
Energy: 0.45632784793137854
Energy: 0.43955793403758603
Energy: 0.43654211133742604
Energy: 0.45691307827470334
Energy: 0.4374614672139119
Energy: 0.45504478400160675
Energy: 0.46128833771454936
Energy: 0.4598531165566117
Energy: 0.4562048496800766
Energy: 0.4597951946341602
Energy: 0.43595431259882134
Energy: 0.45408185517702826
Energy: 0.4552669728314582
Energy: 0.43590817895049083
Energy: 0.4547823427994925
Energy: 0.4553654215918743
Energy: 0.4365923770471876
Energy: 0.45565512324748214
Energy: 0.43670792881001147
Energy: 0.4296127623431628
Energy: 0.45528466063408096
Energy: 0.45515012921397374
Energy: 0.46812359981713186
Energy: 0.5526791320661393
Energy: 0.47880202736935595
Energy: 0.47945506663509513
Energy: 0.49268370683819285
Energy: 0.49117063389643123
Energy: 0.43277306544400473
Energy: 0.4844657388529137
Energy: 0.4310534287115036
Energy: 0.4607656073585613
Energy: 0.45476701102841277
Energy: 0.4311529389969029
Energy: 0.4376500041179578
Energy: 0.49098402486669357
Energy: 0.4297467500668296
Energy: 0.41948662883314575
Energy: 0.4904754365458268
Energy: 0.42984643541920203
Energy: 0.4648143803131926
Energy: 0.48350668282338877
Energy: 0.4319288825507837
Energy: 0.42983439390665007
Energy: 0.45616962460840976
Energy: 0.4299153807636454
Energy: 0.4298132195079308
Energy: 0.5892984138022628
Energy: 0.4533599755850218
Energy: 0.458966495051615
Energy: 0.4560592293760389
Energy: 0.4292324533620045
Energy: 0.4588880476137366
Energy: 0.48637784063424916
Energy: 0.4589716741178416
Energy: 0.4383061504220757
Energy: 0.4543762395048321
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Energy: 0.43667007720718615
Energy: 0.5524094905985893
Energy: 0.4258750398965662
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Energy: 0.5525948229736706
Energy: 0.42566048010167157
Energy: 0.4257436151891535
Energy: 0.4570381422870352
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Energy: 0.45866151610299793
Energy: 0.43740620200684605
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Energy: 0.4366477226562473
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Energy: 0.46005788545788306
Energy: 0.4598866939857657
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Energy: 0.4391357007765018
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Energy: 0.4546717863950766
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Energy: 0.4382009032843235
Energy: 0.6159649814940543
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Energy: 0.5161567173096814
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Energy: 0.5910049588706944
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Energy: 0.4549826896152245
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Energy: 0.48932154242802584
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Energy: 0.48661571762147565
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Energy: 0.4864922324659979
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Energy: 0.46019373856201135
Energy: 0.5177040684347178
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Energy: 0.4663135873635906
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Energy: 0.5464050234989883
Energy: 0.5271011587193342
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Energy: 0.4259954205467954
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Energy: 0.4244774023857114
Energy: 0.42901907849700205
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Energy: 0.4294713689503935
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Energy: 0.42978868639514234
Energy: 0.44517767809263004
Energy: 0.4920492351721293
Energy: 0.4998873091270763
Energy: 0.4451223840667088
Energy: 0.4908188843763509
Energy: 0.4425365065985569
Energy: 0.5635007743208155
Energy: 0.4565298960611391
Energy: 0.43748120837539894
Energy: 0.43317231087381314
Energy: 0.45545907526677787
Energy: 0.4388453613816876
Energy: 0.6928432061995403
Energy: 0.5518922728706261
Energy: 0.4255084218727102
Energy: 0.4251309668135055
Energy: 0.5529286525710712
Energy: 0.425649127749343

minimum gb energy = 0.41948662883314575 eV
minimum distance =  2.67856474609627 Angstroms
sigma value = 67


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

Energy: 0.5444079493618242
Energy: 0.5030619338225568
Energy: 0.43949843225202817
Energy: 0.5130404698628963
Energy: 0.5030625418108123
Energy: 0.4386901806863642
Energy: 0.5243443200097494
Energy: 0.4518594413016832
Energy: 0.4519223051082059
Energy: 0.4637859916343365
Energy: 0.48049183093695624
Energy: 0.4519025910828502
Energy: 0.4951527796142351
Energy: 0.4360442953512717
Energy: 0.45523135267199905
Energy: 0.45527043178424187
Energy: 0.43601240970126715
Energy: 0.45514920999082276
Energy: 0.4843861276596831
Energy: 0.45583209581850254
Energy: 0.4552386169769155
Energy: 0.4836153440890063
Energy: 0.45514964999840746
Energy: 0.4557385242275536
Energy: 0.4836676729590669
Energy: 0.47059425779133285
Energy: 0.4711528812815563
Energy: 0.4844419538003303
Energy: 0.47094865377284034
Energy: 0.4826926114037348
Energy: 0.48316559105923873
Energy: 0.44584017116679225
Energy: 0.48383859153912345
Energy: 0.4835203077854434
Energy: 0.44444429795976437
Energy: 0.48360183291173864
Energy: 0.5208169774764183
Energy: 0.4563473707475898
Energy: 0.4558161910258307
Energy: 0.49766393218976224
Energy: 0.45602115873241605
Energy: 0.455882862494782

minimum gb energy = 0.43601240970126715 eV
minimum distance =  2.68980466695851 Angstroms
sigma value = 3


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

Energy: 0.7290445672334157
Energy: 0.7172026312919405
Energy: 0.5780386731546131
Energy: 0.5299304192933075
Energy: 0.7156742410441476
Energy: 0.5815280830988728
Energy: 0.49833777234445537
Energy: 0.5205311464581708
Energy: 0.5244271923176974
Energy: 0.5569485694835127
Energy: 0.582793339181579
Energy: 0.511372579479009
Energy: 0.5452553459289828
Energy: 0.5121084523359053
Energy: 0.5119040940127505
Energy: 0.5461810641898237
Energy: 0.5117728805814244
Energy: 0.518750043794975
Energy: 0.5021285499804765
Energy: 0.508847562151058
Energy: 0.49862317709231163
Energy: 0.5019498737059737
Energy: 0.5123543901766923
Energy: 0.49812179772446236
Energy: 0.5063075247490887
Energy: 0.5154665800762611
Energy: 0.5108590742999694
Energy: 0.507217410188332
Energy: 0.5149043204516423
Energy: 0.5057415707465975
Energy: 0.5242055829291266
Energy: 0.5151228311567957
Energy: 0.515538173314007
Energy: 0.5251709041713852
Energy: 0.5148718850005038
Energy: 0.5192065671868767
Energy: 0.4985803939935717
Energy: 0.5569621611427296
Energy: 0.528159801686726
Energy: 0.5361768846931606
Energy: 0.5531873714307335
Energy: 0.5354510208253213
Energy: 0.6768650119074513
Energy: 0.5482531908238494
Energy: 0.5834939544110648
Energy: 0.5122477938840637
Energy: 0.563167363200645
Energy: 0.5609522739327896
Energy: 0.5277014113044126
Energy: 0.5247819540893524
Energy: 0.5351441442774503
Energy: 0.5628245209661298
Energy: 0.5289791343880109
Energy: 0.5279885331228799
Energy: 0.65859006396448
Energy: 0.5172654582036565
Energy: 0.5168665119327076
Energy: 0.6593108548566684
Energy: 0.5123401498304382
Energy: 0.5486109677048748
Energy: 0.5470263744575713
Energy: 0.5132757800138581
Energy: 0.5330449145267336
Energy: 0.5474203334993629
Energy: 0.5281789549062715
Energy: 0.5371488459064935
Energy: 0.5336306697154183
Energy: 0.5193533008321644
Energy: 0.517105452461101
Energy: 0.5353568060501751
Energy: 0.5247590823540993
Energy: 0.5210307290128507
Energy: 0.5642704032560593
Energy: 0.5154607328629812
Energy: 0.5097035317330157
Energy: 0.5142473123004023
Energy: 0.5113950622227674
Energy: 0.5100648910272022
Energy: 0.5233784517557849
Energy: 0.5022802550098228
Energy: 0.497279491962978
Energy: 0.5251266724735412
Energy: 0.5004378217048513
Energy: 0.49725130267070394
Energy: 0.5977868647932024
Energy: 0.5007318271302336
Energy: 0.5016868739780596
Energy: 0.5108877401125547
Energy: 0.49979146446921774
Energy: 0.5097544133260096
Energy: 0.5241441663605372
Energy: 0.5090573097924221
Energy: 0.5169565969075702
Energy: 0.5238840858037395
Energy: 0.5374482155709255
Energy: 0.5148138666024564
Energy: 0.6336088001752066
Energy: 0.5274730304468835
Energy: 0.5275055497568212
Energy: 0.6239111958710374
Energy: 0.5278315262793062
Energy: 0.5996116086197566
Energy: 0.5559239983729662
Energy: 0.5386735077391394
Energy: 0.5194172370387599
Energy: 0.5385219408413717
Energy: 0.5514161259527106
Energy: 0.5210852227074291
Energy: 0.5331834116488895
Energy: 0.550580778610867
Energy: 0.5192347262527358
Energy: 0.5054025341679662
Energy: 0.575062998752452
Energy: 0.5082591920897815
Energy: 0.6321716658839688
Energy: 0.5212074036366575
Energy: 0.522716678577697
Energy: 0.5060723629456404
Energy: 0.5334949042707577
Energy: 0.508719169420151
Energy: 0.5304834710534088
Energy: 0.5193574938438511
Energy: 0.5204844356307794
Energy: 0.5413799591035874
Energy: 0.5067236587582405
Energy: 0.5218080817601115
Energy: 0.5376455441801039
Energy: 0.5272706514064949
Energy: 0.5209888544032992
Energy: 0.5354924983289823
Energy: 0.527133180262459
Energy: 0.521843447592625
Energy: 0.5153596600680922
Energy: 0.5296903626994143
Energy: 0.5141397584657827
Energy: 0.5163453586599539
Energy: 0.5133030497951184
Energy: 0.5176212781165167
Energy: 0.5259063961539032
Energy: 0.5132388598068305
Energy: 0.5212630804766315
Energy: 0.5258617796047489
Energy: 0.512953961198005
Energy: 0.5265194549669017
Energy: 0.5357634609647787
Energy: 0.516893280507738
Energy: 0.5157747121558254
Energy: 0.5218155382401543
Energy: 0.5142065911773073
Energy: 0.5216569196655446
Energy: 0.6910117891745945
Energy: 0.5801393492591667
Energy: 0.5854374786721823
Energy: 0.5101908610656254
Energy: 0.6279366621170855
Energy: 0.5357617340934716
Energy: 0.5613862273405298
Energy: 0.5827648221545848
Energy: 0.5852705919359406
Energy: 0.5119805587915465
Energy: 0.5965743197597073
Energy: 0.532659385111697
Energy: 0.5335111019682764
Energy: 0.5149503849917105
Energy: 0.5136882934788919
Energy: 0.5332059149339298
Energy: 0.519374664411938
Energy: 0.5196673424623175
Energy: 0.5035053995072134
Energy: 0.5120976128569281
Energy: 0.5051115431372051
Energy: 0.5038881383121527
Energy: 0.5116288317948176
Energy: 0.5105752816089617
Energy: 0.4989585868791484
Energy: 0.521988003760318
Energy: 0.5004138043954999
Energy: 0.5000198401332365
Energy: 0.5136787654420086
Energy: 0.4995712429201545
Energy: 0.5199716776015095
Energy: 0.52261264782624
Energy: 0.5201122514753023
Energy: 0.5199818378840635
Energy: 0.5231581578104806
Energy: 0.5208932136477942
Energy: 0.5114405594630524
Energy: 0.5330112364647015
Energy: 0.5308796790062911
Energy: 0.5343567382333902
Energy: 0.5105481301193411
Energy: 0.5302378708021092
Energy: 0.6730784828464328
Energy: 0.5629309744099714
Energy: 0.5591227511386057
Energy: 0.5122493364498747
Energy: 0.5720346426828854
Energy: 0.5269365021326331
Energy: 0.552465703773837
Energy: 0.5734127876894224
Energy: 0.557719878845859
Energy: 0.5140599458999047
Energy: 0.586282217252758
Energy: 0.5153004169152245
Energy: 0.5682898363756894
Energy: 0.5130343105985068
Energy: 0.532856190314272
Energy: 0.5686815485601576
Energy: 0.5421616559711606
Energy: 0.5246917841642731
Energy: 0.5678478658255283
Energy: 0.5172371285574415
Energy: 0.5176061928854213
Energy: 0.5640176201086022
Energy: 0.5123199673641097
Energy: 0.5488250945823322
Energy: 0.5224351693597881
Energy: 0.5182579673483336
Energy: 0.5327538432322427
Energy: 0.5231927247144992
Energy: 0.5301100007340663
Energy: 0.5334157323190761
Energy: 0.564884348743297
Energy: 0.5178613375374007
Energy: 0.5121740128688205
Energy: 0.514075780222981
Energy: 0.5188288870298485
Energy: 0.5285958818357777
Energy: 0.5299790685763173
Energy: 0.5024857730774006
Energy: 0.49876933661069156
Energy: 0.5313197285381892
Energy: 0.5000879707273919
Energy: 0.5005174522848054
Energy: 0.5973024080717241
Energy: 0.5032143011825458
Energy: 0.5049620761735851
Energy: 0.5108845460919988
Energy: 0.5145819669918172
Energy: 0.5053797350023977
Energy: 0.5238019389421537
Energy: 0.5328286365475617
Energy: 0.5104259048331471
Energy: 0.5558054581777983
Energy: 0.5480565585235275
Energy: 0.5094359223726064
Energy: 0.6094051223382329
Energy: 0.5369097114795357
Energy: 0.5640824690129388
Energy: 0.5723918502594846
Energy: 0.5123189684149793
Energy: 0.5397338257608905
Energy: 0.6722556579074741
Energy: 0.5272259893595364
Energy: 0.5270424068484547
Energy: 0.6274136216820836
Energy: 0.5109560143091301
Energy: 0.5992090682419132
Energy: 0.5424268324858141
Energy: 0.5120921870575528
Energy: 0.5100437918750698
Energy: 0.5462909505366412
Energy: 0.52580352355204
Energy: 0.5094721029057443
Energy: 0.6374412547492003
Energy: 0.5270034400736608
Energy: 0.5309193266313559
Energy: 0.5151864638338853
Energy: 0.5170441978992868
Energy: 0.5312160751083878
Energy: 0.5156716719808176
Energy: 0.5216718778374457
Energy: 0.5126584504294412
Energy: 0.5178487774528002
Energy: 0.5175398122514366
Energy: 0.509918682380478
Energy: 0.5335544506691211
Energy: 0.52758882211679
Energy: 0.519762093388257
Energy: 0.5324560768066945
Energy: 0.5291551734114049
Energy: 0.5220453069426327
Energy: 0.5240901987974955
Energy: 0.5241068706213499
Energy: 0.5261445249998662
Energy: 0.5255223840956085
Energy: 0.5290433621270257
Energy: 0.5197820585130973
Energy: 0.5242813351280264
Energy: 0.5061039320742012
Energy: 0.5089014091593339
Energy: 0.5242577597800452
Energy: 0.5062076546701181
Energy: 0.5097972388328254
Energy: 0.5979210027965355
Energy: 0.5086985883423968
Energy: 0.508468843857797
Energy: 0.6039693785286162
Energy: 0.5080695883099111
Energy: 0.5197202056628438
Energy: 0.5106317387500628
Energy: 0.5261758467725542
Energy: 0.5242352888717534
Energy: 0.5205612046887568
Energy: 0.5832486374993285
Energy: 0.524477067881098

minimum gb energy = 0.49725130267070394 eV
minimum distance =  2.60078219956295 Angstroms
sigma value = 81


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

Energy: 0.7934192522414502
Energy: 0.6214011389269055
Energy: 0.5942676069017776
Energy: 0.5182975091442192
Energy: 0.6215867422467158
Energy: 0.5928111142318949
Energy: 0.5435364285417008
Energy: 0.5863876396045361
Energy: 0.5788841919464656
Energy: 0.5468623598690795
Energy: 0.5873052654542923
Energy: 0.5180388355439961
Energy: 0.5357934717935277
Energy: 0.5146557951018603
Energy: 0.5003657851040872
Energy: 0.5364477502429907
Energy: 0.5092866757595751
Energy: 0.5458971580353734
Energy: 0.5037316829447437
Energy: 0.5058879182098763
Energy: 0.5235426316076471
Energy: 0.5036498296794477
Energy: 0.49539221260473065
Energy: 0.5045729873767395
Energy: 0.4995181758220932
Energy: 0.5151504949116051
Energy: 0.5207242618890116
Energy: 0.499862855742151
Energy: 0.5129659262512163
Energy: 0.5209299501118851
Energy: 0.5001848414168338
Energy: 0.5130808428171869
Energy: 0.5126302587210175
Energy: 0.5236942643039241
Energy: 0.5106537087147971
Energy: 0.5129098473890089
Energy: 0.5123711336868647
Energy: 0.49868066390077614
Energy: 0.518493685166977
Energy: 0.5001636528204948
Energy: 0.49887083341117633
Energy: 0.5062596861326113
Energy: 0.5001119519630406
Energy: 0.5596883444388391
Energy: 0.5599375824341268
Energy: 0.49511144052041023
Energy: 0.6160066808899699
Energy: 0.5062688875632056
Energy: 0.5658844588143425
Energy: 0.515299979404138
Energy: 0.5130168893399359
Energy: 0.5350825613188545
Energy: 0.5043867869964987
Energy: 0.5121440009638725
Energy: 0.5796891579248543
Energy: 0.5353840002553448
Energy: 0.5356037854809463
Energy: 0.5798922517809787
Energy: 0.5353109025309939
Energy: 0.5353853079397622
Energy: 0.5612305539050769
Energy: 0.5172674224313683
Energy: 0.5350835568949796
Energy: 0.5614764851410656
Energy: 0.4949130793424387
Energy: 0.5351557990732125
Energy: 0.500098996711008
Energy: 0.5257168248813533
Energy: 0.5229645494458619
Energy: 0.4930692133813722
Energy: 0.525067658624662
Energy: 0.5113975171605414
Energy: 0.5178757639168337
Energy: 0.5287402843201512
Energy: 0.5267626952050898
Energy: 0.499688541602218
Energy: 0.5077548677137592
Energy: 0.5024732020866826
Energy: 0.4992126138154927
Energy: 0.48070355169604
Energy: 0.49463089094602813
Energy: 0.49333153083995085
Energy: 0.4959058650424628
Energy: 0.49549527503431395
Energy: 0.6310736420191874
Energy: 0.49539000443871484
Energy: 0.49550621060481487
Energy: 0.5159242398937349
Energy: 0.4807299032432579
Energy: 0.5169514462276131
Energy: 0.5039397705267563
Energy: 0.5150156415371158
Energy: 0.514268649639172
Energy: 0.49879183032715785
Energy: 0.5043066507315485
Energy: 0.5149234940405919
Energy: 0.5763554808422994
Energy: 0.4953673250601981
Energy: 0.48051092956731795
Energy: 0.5767857677211383
Energy: 0.4953437450240246
Energy: 0.5065671197523733
Energy: 0.5226604199133907
Energy: 0.5270984185900949
Energy: 0.5102564730377896
Energy: 0.5228534354222028
Energy: 0.534153041217349
Energy: 0.5142008209198159
Energy: 0.48301668030486106
Energy: 0.533909091107885
Energy: 0.5339712735310695
Energy: 0.4974789629761246
Energy: 0.5839754813710678
Energy: 0.5339270731715595
Energy: 0.48279100573965733
Energy: 0.5337229771988362
Energy: 0.5340529888969852
Energy: 0.5284766531913028
Energy: 0.5610008335879852
Energy: 0.5339944606942804
Energy: 0.5225098593324039
Energy: 0.5268009870250502
Energy: 0.4976351357616262
Energy: 0.5227863273570407
Energy: 0.5345158178740849
Energy: 0.5146002835271557
Energy: 0.5276366055963999
Energy: 0.5086938567267905
Energy: 0.5156609267970746
Energy: 0.5280659980014579
Energy: 0.5088508734272796
Energy: 0.516868278472116
Energy: 0.4963983610647382
Energy: 0.5084739986670261
Energy: 0.5002330453732261
Energy: 0.4968098996769434
Energy: 0.504024125580492
Energy: 0.4827869681646434
Energy: 0.49651506010722246
Energy: 0.529826763114714
Energy: 0.5156437415900549
Energy: 0.497250296882355
Energy: 0.53069753983845
Energy: 0.4975995148883189
Energy: 0.5510170918900291
Energy: 0.5094733881104311
Energy: 0.5139938593784875
Energy: 0.5411995908591508
Energy: 0.49703934432556973
Energy: 0.5154073844264132
Energy: 0.4999367916061197
Energy: 0.5608940292427061
Energy: 0.5599768100873858
Energy: 0.494898248078193
Energy: 0.5746363708218855
Energy: 0.5162889666189355
Energy: 0.5002904780698496
Energy: 0.526396537018792
Energy: 0.5090095416275714
Energy: 0.49424076916359866
Energy: 0.574888127532315
Energy: 0.5183961436166832
Energy: 0.6075371981460825
Energy: 0.5084146414947159
Energy: 0.5350644367496603
Energy: 0.6081707065920179
Energy: 0.49486519114716176
Energy: 0.5349881666151948
Energy: 0.5613478976190788
Energy: 0.5355959296268582
Energy: 0.536070546417121
Energy: 0.561721776135923
Energy: 0.5281882444538792
Energy: 0.5358062765828152
Energy: 0.5639262251916006
Energy: 0.515101496968929
Energy: 0.5105200136610726
Energy: 0.5346180227098264
Energy: 0.504321256896443
Energy: 0.5193311397366851
Energy: 0.5773685693912844
Energy: 0.5652523093383941
Energy: 0.5071608369667591
Energy: 0.509520293450368
Energy: 0.5662529823342211
Energy: 0.5150294051551252
Energy: 0.5121700759158229
Energy: 0.49595475983204973
Energy: 0.49520639114826404
Energy: 0.5005546669772777
Energy: 0.49529103576883227
Energy: 0.49509397448423237
Energy: 0.5023457654184901
Energy: 0.4945866936660137
Energy: 0.5125783309204864
Energy: 0.5254522542924898
Energy: 0.4948427876806251
Energy: 0.5133115239327098
Energy: 0.5046950650912678
Energy: 0.5220339258529743
Energy: 0.5221156235754948
Energy: 0.5146148056892752
Energy: 0.5316610970524173
Energy: 0.5231177987426431
Energy: 0.5051257299223003
Energy: 0.5140514088631247
Energy: 0.5175075206159174
Energy: 0.5056095134510826
Energy: 0.4939075073754564
Energy: 0.5274398328372192
Energy: 0.5811391790982955
Energy: 0.4961579387378959
Energy: 0.4951053637797318
Energy: 0.5812600281551017
Energy: 0.4954152489513482
Energy: 0.5957069717770858
Energy: 0.5433375127926324
Energy: 0.5861452634967578
Energy: 0.5541928066359108
Energy: 0.5461972633839348
Energy: 0.587398539424076
Energy: 0.517613159822596
Energy: 0.5147377436927386
Energy: 0.6091588553822996
Energy: 0.5947559757889817
Energy: 0.49379092495979693
Energy: 0.608632225564062
Energy: 0.5930226485169837

minimum gb energy = 0.48051092956731795 eV
minimum distance =  2.60968013171747 Angstroms
sigma value = 43


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

Energy: 0.7488284900507112
Energy: 0.6638587228989643
Energy: 0.5163411527143438
Energy: 0.531374044181153
Energy: 0.6638496106564341
Energy: 0.5314039656402822
Energy: 0.529779610477592
Energy: 0.5015772105306414
Energy: 0.5321927626214562
Energy: 0.5031717618400705
Energy: 0.4889835699127178
Energy: 0.5093349830267495
Energy: 0.4851599330474226
Energy: 0.46797615438404816
Energy: 0.4921021274538946
Energy: 0.4853117213679511
Energy: 0.5149240665991879
Energy: 0.509362761802306
Energy: 0.4852320516870834
Energy: 0.4678339149923528
Energy: 0.48533737401671767
Energy: 0.4852295986233669
Energy: 0.5160740171704024
Energy: 0.4851529249632798
Energy: 0.48575434510628607
Energy: 0.5082341445697538
Energy: 0.5078036909413374
Energy: 0.48580997930473946
Energy: 0.5084459254512597
Energy: 0.5092156520729463
Energy: 0.5349169965461454
Energy: 0.5081924150671443
Energy: 0.5085107132334933
Energy: 0.529719658780108
Energy: 0.4861486826316681
Energy: 0.5198739173723474
Energy: 0.5009888351755161
Energy: 0.4854700066897582
Energy: 0.48536529642777176
Energy: 0.500965377483065
Energy: 0.4854616054222064
Energy: 0.4854634790568153
Energy: 0.5262877617360726
Energy: 0.4863692845026905
Energy: 0.4858591834043571
Energy: 0.5172522351901778
Energy: 0.48595823810936556
Energy: 0.531885212055705
Energy: 0.5012233930476637
Energy: 0.5099333065662632
Energy: 0.4856219553965142
Energy: 0.5018064098268638
Energy: 0.5325674672530467
Energy: 0.48586783517147547
Energy: 0.551430671095943
Energy: 0.5016962403487358
Energy: 0.5120244134994699
Energy: 0.55397680687772
Energy: 0.5099800607504531
Energy: 0.5653669305831852
Energy: 0.5329213314856832
Energy: 0.5336933411662083
Energy: 0.49833260880808045
Energy: 0.5370535999204099
Energy: 0.5260876134109095
Energy: 0.5224814723339382
Energy: 0.5309511654035687
Energy: 0.5314553036475376
Energy: 0.5089935570080314
Energy: 0.4693332192403173
Energy: 0.5510437269591225
Energy: 0.5091274923288666
Energy: 0.5314332315666275
Energy: 0.5088364254592894
Energy: 0.5024953077673538
Energy: 0.49271635916697404
Energy: 0.5028489507345538
Energy: 0.5024530961134764
Energy: 0.4664308331800974
Energy: 0.5098896323634601
Energy: 0.5265238244950475
Energy: 0.48935372917065945
Energy: 0.503364417606298
Energy: 0.5272237976887177
Energy: 0.4661699185625808
Energy: 0.5207473276300165
Energy: 0.5209565768335588
Energy: 0.4664584099640899
Energy: 0.5184082400392479
Energy: 0.4665497915311818
Energy: 0.4665315079399555
Energy: 0.5002399096426783
Energy: 0.4660899423859259
Energy: 0.46716904481641736
Energy: 0.5037215548017416
Energy: 0.46632288190748267
Energy: 0.4663239899152386
Energy: 0.48148146952934157
Energy: 0.467187389168508
Energy: 0.4666129766598784
Energy: 0.5193469360289075
Energy: 0.4671342223636274
Energy: 0.4663791496669608
Energy: 0.5066646537392526
Energy: 0.4895401467803075
Energy: 0.5213109945407542
Energy: 0.5045057490250819
Energy: 0.5126272762479105
Energy: 0.5631850524158348
Energy: 0.517755926811814
Energy: 0.517257860666432
Energy: 0.568301384141791
Energy: 0.5047309650533881
Energy: 0.5084892509432849
Energy: 0.5008273663310151
Energy: 0.5134387564794867
Energy: 0.5171954150807069
Energy: 0.5088201821173389
Energy: 0.5431134960204195
Energy: 0.508689365394399
Energy: 0.4664562746288314
Energy: 0.5173375729792489
Energy: 0.5078219480346844
Energy: 0.5209774477211462
Energy: 0.531248716112231
Energy: 0.5283333815777196
Energy: 0.5797329262136174
Energy: 0.5013846991882503
Energy: 0.5257284807119545
Energy: 0.579727489874376
Energy: 0.5155077069692098
Energy: 0.5418127719105206
Energy: 0.5043202181876106
Energy: 0.5114067729549013
Energy: 0.5088786977736385
Energy: 0.5045218037074016
Energy: 0.504493711718665
Energy: 0.5078900771727142
Energy: 0.5224261169693158
Energy: 0.4957879556283293
Energy: 0.5170219610913177
Energy: 0.5092022630986558
Energy: 0.4664951119541468
Energy: 0.5172014154825584
Energy: 0.5173437919734198
Energy: 0.4662754252816391
Energy: 0.4662635838788755
Energy: 0.5175121135334324
Energy: 0.46629893587220794
Energy: 0.46653943790470714
Energy: 0.5026479217804813
Energy: 0.46694959871655795
Energy: 0.4676727365729739
Energy: 0.5172965418351735
Energy: 0.4666913997148384
Energy: 0.4666573624094089
Energy: 0.5027638029082808
Energy: 0.5230155729520707
Energy: 0.5237556861257104
Energy: 0.5098443193634221
Energy: 0.46641149913893876
Energy: 0.5191611618644599
Energy: 0.5030274179295954
Energy: 0.5282828236556929
Energy: 0.5092718115947152
Energy: 0.5037488042930439
Energy: 0.5006975446196915
Energy: 0.5092595688084862
Energy: 0.5184622550929127
Energy: 0.4857129012824403
Energy: 0.5018484989261239
Energy: 0.5183471818323312
Energy: 0.5169289202434217
Energy: 0.5425570193051142
Energy: 0.48594109074039715
Energy: 0.5015915202082032
Energy: 0.5274077456356867
Energy: 0.5033554337959818
Energy: 0.4894774312616198
Energy: 0.4854071331791329
Energy: 0.46808630860755956
Energy: 0.5776926683645032
Energy: 0.5646001819238995
Energy: 0.5013030364244531
Energy: 0.6149408173505951
Energy: 0.5022218425828142

minimum gb energy = 0.4660899423859259 eV
minimum distance =  2.62884407582458 Angstroms
sigma value = 57


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

Energy: 0.550208358043772
Energy: 0.5133986836079685
Energy: 0.5325084834508519
Energy: 0.45303750475142635
Energy: 0.5137285067059696
Energy: 0.5294275760426848
Energy: 0.5325091875556108
Energy: 0.4699486720136326
Energy: 0.4700785410411232
Energy: 0.4701596017317793
Energy: 0.4699040001474595
Energy: 0.46679263670965637
Energy: 0.4661966110150887
Energy: 0.4254057917026014
Energy: 0.42543814537430885
Energy: 0.4661531508501195
Energy: 0.42545986373359745
Energy: 0.46962732596926116
Energy: 0.46629926938213684
Energy: 0.42520091988610853
Energy: 0.42535275793356003
Energy: 0.4658980786236628
Energy: 0.48181287496891906
Energy: 0.4660792776444178
Energy: 0.4660762666394739
Energy: 0.48538063060836334
Energy: 0.4405353534115185
Energy: 0.4659927884633772
Energy: 0.4406691611299657
Energy: 0.44085893883552824
Energy: 0.42518810436499416
Energy: 0.44045262404847846
Energy: 0.4405135845606775
Energy: 0.47751354975473725
Energy: 0.46665517210344826
Energy: 0.4849813635830719
Energy: 0.5000898247892307
Energy: 0.4668731834109824
Energy: 0.4661546366809297
Energy: 0.5006743703393781
Energy: 0.4677091599432351
Energy: 0.4661423129660453
Energy: 0.4651323283883972
Energy: 0.46638784696672614
Energy: 0.46705232985821404
Energy: 0.4858299226747279
Energy: 0.4662777698137439
Energy: 0.4668942095829733
Energy: 0.47020787916189216
Energy: 0.46748822690578373
Energy: 0.4666594814173077
Energy: 0.47039627247385396
Energy: 0.47096785253200474
Energy: 0.4669171865742607
Energy: 0.5713725658473624
Energy: 0.46664222117414517
Energy: 0.4661747181322985
Energy: 0.571624888596394
Energy: 0.46736341521775415
Energy: 0.4909577118530618
Energy: 0.5326616617618402
Energy: 0.46617289689655084
Energy: 0.4674780045545333
Energy: 0.46963708271567284
Energy: 0.4692417979678045
Energy: 0.5173539474917809
Energy: 0.4252753619425832
Energy: 0.470110474192078
Energy: 0.47004463094709514
Energy: 0.4264627336900258
Energy: 0.4703919828889424
Energy: 0.5058539478803487
Energy: 0.42520027571539665
Energy: 0.4713641745893443
Energy: 0.5061438800296139
Energy: 0.5058348886590485
Energy: 0.47018521262003027
Energy: 0.5062162830336336
Energy: 0.5317190066538611
Energy: 0.47004485873366997
Energy: 0.46634741247530087
Energy: 0.47021333234060625
Energy: 0.47060832154424453
Energy: 0.4665427847087875
Energy: 0.4662624045682035
Energy: 0.4533681035909935
Energy: 0.45236783917621104
Energy: 0.4665471798265167
Energy: 0.42560194258626205
Energy: 0.45268737268444564
Energy: 0.4660014765682803
Energy: 0.4848984774429511
Energy: 0.46731743693359884
Energy: 0.46676152535811
Energy: 0.5009725343424658
Energy: 0.46601821695354967
Energy: 0.46664235813472904
Energy: 0.4862177778214595
Energy: 0.4405321042197843
Energy: 0.4666284209846921
Energy: 0.4407486824825028
Energy: 0.4404891946892427
Energy: 0.46678129922943584
Energy: 0.4665783431674239
Energy: 0.4415053330061281
Energy: 0.46691015231756183
Energy: 0.466544476341927
Energy: 0.44184604609448547
Energy: 0.47086553926723407
Energy: 0.46616117036667293
Energy: 0.46626514763473703
Energy: 0.46977992967221904
Energy: 0.4660762052003561
Energy: 0.46631946451450756
Energy: 0.4705615168192343
Energy: 0.5169136159404504
Energy: 0.4664373528824508
Energy: 0.47063084659084653
Energy: 0.5129593663699616
Energy: 0.46669346008616874
Energy: 0.4700107407476372
Energy: 0.5131163505127079
Energy: 0.5231305866993936
Energy: 0.47009850754099014
Energy: 0.471011092909375
Energy: 0.4665252686142936
Energy: 0.5134923205186493
Energy: 0.4910940757032632
Energy: 0.4912808153943836
Energy: 0.5135967552719839
Energy: 0.4653952457803311
Energy: 0.49103640710875784
Energy: 0.5317225612613992
Energy: 0.46991353719838347
Energy: 0.47028130573969423
Energy: 0.4708266551654018
Energy: 0.4711832064712388
Energy: 0.5233626966536463
Energy: 0.42517815441404827
Energy: 0.5624943581739539
Energy: 0.5061213927056127
Energy: 0.5057946421217017
Energy: 0.5584216296938181
Energy: 0.5062768838616135

minimum gb energy = 0.42517815441404827 eV
minimum distance =  2.65092303742697 Angstroms
sigma value = 17


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

Energy: 0.6673188221662187
Energy: 0.6155403998716942
Energy: 0.5429981096626404
Energy: 0.4467244996411197
Energy: 0.6163073111450331
Energy: 0.44658255805365554
Energy: 0.46824863584633536
Energy: 0.4726725548560478
Energy: 0.4715767922976014
Energy: 0.5263529992395349
Energy: 0.5262180023607297
Energy: 0.4715821190037707
Energy: 0.5677790374822773
Energy: 0.4223413772701849
Energy: 0.42220761338079
Energy: 0.5688956745182561
Energy: 0.4222910874601106
Energy: 0.42238716956704253
Energy: 0.4714126764213569
Energy: 0.4223603388734319
Energy: 0.42255938749241356
Energy: 0.47147798846922784
Energy: 0.5389746043643089
Energy: 0.47119807263287194
Energy: 0.41543065845236815
Energy: 0.4575897529260346
Energy: 0.458093668494074
Energy: 0.41567617180874666
Energy: 0.5043034689388589
Energy: 0.4567021926166553
Energy: 0.4224358121849843
Energy: 0.4086003686380389
Energy: 0.4098680846243449
Energy: 0.39350323744220783
Energy: 0.40827633071084185
Energy: 0.44155362652692653
Energy: 0.45986798900457
Energy: 0.4086007855752027
Energy: 0.40824420342338424
Energy: 0.4598190707398217
Energy: 0.4103095081442667
Energy: 0.40871715268811637
Energy: 0.4088659849202728
Energy: 0.44854573807359754
Energy: 0.4487067473563334
Energy: 0.4819562460898964
Energy: 0.4482601112786241
Energy: 0.4816574848052243
Energy: 0.4097106726380681
Energy: 0.44887980758516416
Energy: 0.4487457198979723
Energy: 0.4101596454736575
Energy: 0.5132042379807303
Energy: 0.4085011561547035
Energy: 0.4082634685407863
Energy: 0.4087983528233363
Energy: 0.4087360331148187
Energy: 0.4081556412275893
Energy: 0.4086398485662639
Energy: 0.4096200057607927
Energy: 0.4739018021418709
Energy: 0.4395000632501587
Energy: 0.45674874296930906
Energy: 0.5037368690503781
Energy: 0.4713507322910113
Energy: 0.45693205441423557
Energy: 0.5212610911496949
Energy: 0.471591831780678
Energy: 0.4713497935411986
Energy: 0.5213101874159953
Energy: 0.47163548259250654
Energy: 0.47127194805598766
Energy: 0.47021670515744585
Energy: 0.47150116102971357
Energy: 0.4714474993595892
Energy: 0.43866865587145126
Energy: 0.5698671144572208
Energy: 0.4715288983912224
Energy: 0.5231981459145546
Energy: 0.4715937426752731
Energy: 0.4714992332239579
Energy: 0.5246773234063757
Energy: 0.4724659821474801
Energy: 0.47163719900004125
Energy: 0.5957070696870165
Energy: 0.4708108617872943
Energy: 0.5196349374730178
Energy: 0.5954654221234276
Energy: 0.47094439546994943
Energy: 0.5197335704251363
Energy: 0.5694310198380848
Energy: 0.4786236454950656
Energy: 0.4714375148977378
Energy: 0.5259014267990691
Energy: 0.4784392892041019
Energy: 0.4715935446981797
Energy: 0.5286826800376134
Energy: 0.5280142192489072
Energy: 0.5191645016906653
Energy: 0.5282381206791623
Energy: 0.5246542484197695
Energy: 0.519047527803844

minimum gb energy = 0.39350323744220783 eV
minimum distance =  2.62474982869276 Angstroms
sigma value = 17


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

Energy: 0.7081392802684529
Energy: 0.5782570257727456
Energy: 0.44469786323212307
Energy: 0.44108309955478264
Energy: 0.5784905415500649
Energy: 0.44116851604229296
Energy: 0.48749694398615184
Energy: 0.46764258692561506
Energy: 0.46620013093995444
Energy: 0.4670725732864196
Energy: 0.46708791786291015
Energy: 0.46647182271928567
Energy: 0.5487301681948988
Energy: 0.42764875787492856
Energy: 0.4227751777146052
Energy: 0.5495779899191998
Energy: 0.42763569074967367
Energy: 0.4228308504244348
Energy: 0.4681039433624065
Energy: 0.42286142938790444
Energy: 0.42304271095053564
Energy: 0.46837226681803956
Energy: 0.514315748857146
Energy: 0.4228220069363246
Energy: 0.4702625268115801
Energy: 0.44908394481609787
Energy: 0.4508718543150143
Energy: 0.4702350589720422
Energy: 0.44892578176345005
Energy: 0.44829232347580267
Energy: 0.4228082293074582
Energy: 0.4028458668560516
Energy: 0.42873055887262096
Energy: 0.38036083066773996
Energy: 0.40270604007830074
Energy: 0.4263203539682228
Energy: 0.5043575050698647
Energy: 0.4025683022622953
Energy: 0.40255245424414204
Energy: 0.48763457220013223
Energy: 0.40368501528450007
Energy: 0.3959886546631373
Energy: 0.47401676296656753
Energy: 0.41494977096559243
Energy: 0.42258136193504925
Energy: 0.46502118102936474
Energy: 0.4501437423610443
Energy: 0.4228140383481849
Energy: 0.37645560230772046
Energy: 0.3747914723635958
Energy: 0.3747966894843416
Energy: 0.37569880586689636
Energy: 0.4894542452509324
Energy: 0.37503968592412645
Energy: 0.37500413382179537
Energy: 0.45149226993062563
Energy: 0.45326650676137026
Energy: 0.3748753840080754
Energy: 0.4513140232950916
Energy: 0.45244276139812223
Energy: 0.37457050098448896
Energy: 0.375010087358976
Energy: 0.45226024179325225
Energy: 0.4515242597601614
Energy: 0.3751338358360244
Energy: 0.4532463757131335
Energy: 0.4893986588583357
Energy: 0.3747816210117385
Energy: 0.37493297648400215
Energy: 0.487927383776263
Energy: 0.37715790235175145
Energy: 0.3751673240059631
Energy: 0.4021662092727905
Energy: 0.4624412696844557
Energy: 0.4622415094206227
Energy: 0.4514296594460536
Energy: 0.4632785449472341
Energy: 0.46200916186519303
Energy: 0.40294797095866425
Energy: 0.46383891232338187
Energy: 0.43794043533020943
Energy: 0.4035975238545658
Energy: 0.4877589953959045
Energy: 0.40257662735278704
Energy: 0.40255351702414915
Energy: 0.4204712692038951
Energy: 0.42049893626088836
Energy: 0.4025325297773735
Energy: 0.3743807819679136
Energy: 0.40262425222695364
Energy: 0.4957449598430927
Energy: 0.44946371207013824
Energy: 0.4048285084949175
Energy: 0.4910716064257511
Energy: 0.4702698721674022
Energy: 0.4037487001015419
Energy: 0.44660319735817444
Energy: 0.46648088505129964
Energy: 0.46646952570546907
Energy: 0.5026090554590944
Energy: 0.4665534013167269
Energy: 0.4016237687416946
Energy: 0.4082685520069988
Energy: 0.4662752670262433
Energy: 0.46641465340352956
Energy: 0.4685772667487476
Energy: 0.46602296666487736
Energy: 0.44939543262131704
Energy: 0.5111048115460246
Energy: 0.46621202589194066
Energy: 0.4485881845322911
Energy: 0.5120263803387648
Energy: 0.4900355576011423
Energy: 0.4502517465450077
Energy: 0.5977129951841768
Energy: 0.44767443154459524
Energy: 0.44766219179304134
Energy: 0.5975757812519932
Energy: 0.44785086168728083
Energy: 0.5094996417983829
Energy: 0.4886522616379599
Energy: 0.46613244755733924
Energy: 0.46623371762377736
Energy: 0.5138747400027692
Energy: 0.4683904993765371
Energy: 0.4668991181083043
Energy: 0.44016972008831945
Energy: 0.468494847781284
Energy: 0.5080653549409284
Energy: 0.4222514217539364
Energy: 0.549803755117524
Energy: 0.42260408642311037
Energy: 0.4784675047970087
Energy: 0.4677004734112893
Energy: 0.4661121886905489
Energy: 0.47913774826560934
Energy: 0.5114725578645206
Energy: 0.5078900966940154
Energy: 0.5481698643838925
Energy: 0.4569623306097841
Energy: 0.46702679782011064
Energy: 0.5110745489200851
Energy: 0.5137246819070642
Energy: 0.46649251322454954
Energy: 0.4667135768694389
Energy: 0.4274027454608201
Energy: 0.4229871845580905
Energy: 0.4667483655635467
Energy: 0.38032692074811086
Energy: 0.4228907313606557
Energy: 0.47005224757335434
Energy: 0.4487249907728507
Energy: 0.4482856416308784
Energy: 0.4706224601722353
Energy: 0.451412360363516
Energy: 0.44862930520083794
Energy: 0.4227819731288564
Energy: 0.4492065708157831
Energy: 0.448357270186574
Energy: 0.3801834748760729
Energy: 0.4915362496266917
Energy: 0.42637747254219194
Energy: 0.45880958189612675
Energy: 0.40258271127297973
Energy: 0.4027075566757464
Energy: 0.458617126578115
Energy: 0.4032793119865241
Energy: 0.40259361529677107
Energy: 0.43189649446956185
Energy: 0.42094783523060647
Energy: 0.42169843761356346
Energy: 0.4639524600948657
Energy: 0.4023522310588671
Energy: 0.42210408235215063
Energy: 0.3749682354694033
Energy: 0.41570440753887006
Energy: 0.37501221328019824
Energy: 0.37502731451026494
Energy: 0.4505485415781348
Energy: 0.3771819134199684
Energy: 0.3773612430702027
Energy: 0.45509306544582107
Energy: 0.45251126593098756
Energy: 0.37778720471948846
Energy: 0.45134113861084335
Energy: 0.4171073826645616
Energy: 0.3769897476918456
Energy: 0.4561847897579044
Energy: 0.454796139380687
Energy: 0.41742501190006054
Energy: 0.42913393963712815
Energy: 0.45560146960168246
Energy: 0.4873530263381526
Energy: 0.3774342082854299
Energy: 0.37483813721546444
Energy: 0.48828776250262107
Energy: 0.3764991684994257
Energy: 0.3749662018159097
Energy: 0.40281253449141324
Energy: 0.46268021625144967
Energy: 0.46559518114478315
Energy: 0.3747758514750736
Energy: 0.37429997749802113
Energy: 0.46630822603556876
Energy: 0.4024450085610217
Energy: 0.465753792946871
Energy: 0.46572502683512595
Energy: 0.4023918435716489
Energy: 0.4640110626151447
Energy: 0.4663917464172535
Energy: 0.4024582709967297
Energy: 0.3754851033963494
Energy: 0.40192863375999277
Energy: 0.402456537237371
Energy: 0.45785361162837246
Energy: 0.40257292716144427
Energy: 0.49607575073553833
Energy: 0.40314088652730207
Energy: 0.4027619180786269
Energy: 0.49167977965110327
Energy: 0.47030952171942164
Energy: 0.4026788618750339
Energy: 0.5057182515912007
Energy: 0.4663475609372677
Energy: 0.466423561737374
Energy: 0.4603070287114217
Energy: 0.46818349993627745
Energy: 0.46645274607197484
Energy: 0.46536396518163
Energy: 0.5498120424470992
Energy: 0.44812798433781653
Energy: 0.403360669708451
Energy: 0.5517395996135643
Energy: 0.44781292947469586
Energy: 0.5154613497582512
Energy: 0.4663336762772629
Energy: 0.4663322447122703
Energy: 0.5162528454217349
Energy: 0.46865366606918646
Energy: 0.4366253442118376
Energy: 0.5120883815326144
Energy: 0.4021726535139373
Energy: 0.4661395278901611
Energy: 0.5124967840832355
Energy: 0.4026847036713959
Energy: 0.4660011120209662
Energy: 0.5477451108902334
Energy: 0.4389314060313243
Energy: 0.4660655711375803
Energy: 0.5111481014026986
Energy: 0.4935411544216982
Energy: 0.4665056858033339
Energy: 0.47878791089582906
Energy: 0.4675102212808932
Energy: 0.46616081288175143
Energy: 0.47801292752329466
Energy: 0.5123717799271512
Energy: 0.5078167703898323

minimum gb energy = 0.37429997749802113 eV
minimum distance =  2.62213605011192 Angstroms
sigma value = 57


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

Energy: 0.45591517891984895
Energy: 0.5441666725255133
Energy: 0.4345018248237038
Energy: 0.46115806443702423
Energy: 0.5817518730486485
Energy: 0.4344789299439647
Energy: 0.4692169281052927
Energy: 0.4578579324388172
Energy: 0.4534885177376752
Energy: 0.4556441915771214
Energy: 0.45502901041830784
Energy: 0.4374718233727243
Energy: 0.522482918340563
Energy: 0.3818393647243155
Energy: 0.37652796036807545
Energy: 0.5233936213378546
Energy: 0.3786721988192404
Energy: 0.41600743396025136
Energy: 0.4568769398183497
Energy: 0.3847643309956377
Energy: 0.4162302209150025
Energy: 0.4574652429544197
Energy: 0.44326546153140944
Energy: 0.41592363175332003
Energy: 0.4473563486816062
Energy: 0.4387255001583025
Energy: 0.3971391087458946
Energy: 0.4475477039701701
Energy: 0.4375132501375531
Energy: 0.39780329585368557
Energy: 0.37462727810985463
Energy: 0.3960916440487171
Energy: 0.4171146767347352
Energy: 0.39650674879268694
Energy: 0.3961412778656782
Energy: 0.3747651644261472
Energy: 0.482212124141803
Energy: 0.39902328985852625
Energy: 0.3961275084759492
Energy: 0.4665561901738154
Energy: 0.39841152179458816
Energy: 0.38687263589493637
Energy: 0.4566509859289141
Energy: 0.43670286275979514
Energy: 0.4341420202899427
Energy: 0.44657432871520253
Energy: 0.42959756027654616
Energy: 0.40900117982106404
Energy: 0.3660270928971239
Energy: 0.36457501628222244
Energy: 0.3646963007284121
Energy: 0.3668976080902738
Energy: 0.4177282126905625
Energy: 0.3644887325141659
Energy: 0.3646844788354777
Energy: 0.4349169674566868
Energy: 0.43357778440310146
Energy: 0.3646318826714732
Energy: 0.4356807679207618
Energy: 0.43816613280263234
Energy: 0.35356792190506237
Energy: 0.35042400509468025
Energy: 0.3920758671180152
Energy: 0.42663263544618535
Energy: 0.3503782789511189
Energy: 0.391713725167026
Energy: 0.45468344212950895
Energy: 0.35460271158280005
Energy: 0.35043854780362566
Energy: 0.45538974633674556
Energy: 0.35520148657992845
Energy: 0.3937652208619852
Energy: 0.40172383870332934
Energy: 0.4286702985160325
Energy: 0.42774241148698683
Energy: 0.35188197584821734
Energy: 0.43144290136438684
Energy: 0.4274873203245779
Energy: 0.3506742183159828
Energy: 0.42968944851580415
Energy: 0.35020227621770994
Energy: 0.35155151336576945
Energy: 0.45407972948905795
Energy: 0.35036301054300206
Energy: 0.350436727277918
Energy: 0.39436460927246975
Energy: 0.39158926275071315
Energy: 0.3505019725912424
Energy: 0.3916759495599451
Energy: 0.39244701462521425
Energy: 0.4469811542898413
Energy: 0.3644696817493785
Energy: 0.43508702340131794
Energy: 0.4382747751346766
Energy: 0.3701910875229715
Energy: 0.4328403654739021
Energy: 0.41595475031999196
Energy: 0.370034454199935
Energy: 0.36450055831503975
Energy: 0.41577718212007
Energy: 0.36804878560815546
Energy: 0.3655444428359715
Energy: 0.3957795755894899
Energy: 0.44478386676476694
Energy: 0.4101669432230432
Energy: 0.4229956883470589
Energy: 0.4453231718098919
Energy: 0.3652042525864188
Energy: 0.3959402856082793
Energy: 0.4468985565088622
Energy: 0.3959883437848435
Energy: 0.3970222576023124
Energy: 0.46675064102384134
Energy: 0.39583059970378126
Energy: 0.47991896791400007
Energy: 0.40750103350392086
Energy: 0.409229631286173
Energy: 0.48045458657302936
Energy: 0.3648069371299873
Energy: 0.4368110807921303
Energy: 0.48216064219923105
Energy: 0.44062429162832406
Energy: 0.4366023585924225
Energy: 0.478227679619602
Energy: 0.438285522152561
Energy: 0.4034186937777929
Energy: 0.4371612922703756
Energy: 0.45346914454342335
Energy: 0.3959510602748459
Energy: 0.4354992850406402
Energy: 0.4594589179936229
Energy: 0.3955956469888252
Energy: 0.4417309338837267
Energy: 0.4582287598956816
Energy: 0.453452785969568
Energy: 0.44249730420607136
Energy: 0.4567518480581516
Energy: 0.45362926039876034
Energy: 0.49139179776092395
Energy: 0.43639873132852264
Energy: 0.43789824459020543
Energy: 0.4922474546344055
Energy: 0.47249544598850607
Energy: 0.43887841368857156
Energy: 0.5258082653800604
Energy: 0.39513429897187996
Energy: 0.4375911631260491
Energy: 0.5262327900136643
Energy: 0.39582740741610145
Energy: 0.45354052873454903
Energy: 0.47366813374068223
Energy: 0.4584280803335975
Energy: 0.4534156294853898
Energy: 0.495636518796773
Energy: 0.45607673498738394
Energy: 0.45411777455234814
Energy: 0.4158580353113236
Energy: 0.4928400603587337
Energy: 0.4171274158721896
Energy: 0.41631040977791817
Energy: 0.525951139143158
Energy: 0.41589190367354967

minimum gb energy = 0.35020227621770994 eV
minimum distance =  2.64858046952 Angstroms
sigma value = 43


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

Energy: 0.40758986206522085
Energy: 0.4650583365229724
Energy: 0.4004987785620973
Energy: 0.39889162704140063
Energy: 0.4650374285412487
Energy: 0.3670600576327523
Energy: 0.41902520067806176
Energy: 0.40840227594128664
Energy: 0.3950748173374078
Energy: 0.4095044596675199
Energy: 0.4094963063995164
Energy: 0.3950635675186314
Energy: 0.4604392104906179
Energy: 0.3248177302010961
Energy: 0.34796685784692116
Energy: 0.46148462584855754
Energy: 0.32560676939626215
Energy: 0.34589957691747325
Energy: 0.39797965350556563
Energy: 0.346004244311931
Energy: 0.3460337397759562
Energy: 0.3950191692079894
Energy: 0.3761160571716292
Energy: 0.3797721232273098
Energy: 0.3988102483266029
Energy: 0.3648534921486557
Energy: 0.3637158157922574
Energy: 0.3987306858740265
Energy: 0.3958579362933451
Energy: 0.3636619180575399
Energy: 0.32493595788538976
Energy: 0.36324984271483796
Energy: 0.34605899118806355
Energy: 0.37791599269310683
Energy: 0.3632644541262666
Energy: 0.3601935864798292
Energy: 0.42847157365271926
Energy: 0.3632930935406362
Energy: 0.3632598515516457
Energy: 0.4158587124146963
Energy: 0.3660369616561044
Energy: 0.36338978302270064
Energy: 0.4093201626171142
Energy: 0.3780383654950401
Energy: 0.3839243861306868
Energy: 0.33552380915243674
Energy: 0.3750882603221753
Energy: 0.3249431831662241
Energy: 0.3368192010984077
Energy: 0.38378469001412013
Energy: 0.3355931151472755
Energy: 0.33753467227908074
Energy: 0.40326312747646936
Energy: 0.3358974616158408
Energy: 0.3356013780902017
Energy: 0.3874934783445287
Energy: 0.3836571813075436
Energy: 0.3356231608910097
Energy: 0.35675815272702144
Energy: 0.3846773293423426
Energy: 0.3116172640000664
Energy: 0.3183805678551436
Energy: 0.31883817776211454
Energy: 0.3725705752758557
Energy: 0.3185161776361021
Energy: 0.31304137025908446
Energy: 0.39961532801124466
Energy: 0.3185138870786971
Energy: 0.31826537607874683
Energy: 0.40059915376264504
Energy: 0.3184680439375431
Energy: 0.3793010022556092
Energy: 0.3922172158508181
Energy: 0.3728570444004396
Energy: 0.3462655186575267
Energy: 0.39323439956538947
Energy: 0.37036789361817307
Energy: 0.37984064991820315
Energy: 0.30827447079215897
Energy: 0.3906646612807532
Energy: 0.30757631281478126
Energy: 0.3091285966690277
Energy: 0.39315481497643645
Energy: 0.30776490171247106
Energy: 0.30737008843635644
Energy: 0.37573830840844386
Energy: 0.3749919463414297
Energy: 0.30742083887709315
Energy: 0.37422036370403505
Energy: 0.37576815423863746
Energy: 0.393028222699965
Energy: 0.3027341748225097
Energy: 0.3024993125847568
Energy: 0.36976775848494275
Energy: 0.3028088894203183
Energy: 0.3701811141084655
Energy: 0.3900582645322202
Energy: 0.3026992609330842
Energy: 0.3025803763368688
Energy: 0.3893958730231523
Energy: 0.30272843530122007
Energy: 0.36941309446034937
Energy: 0.3868318844252941
Energy: 0.3749949158440095
Energy: 0.3730926834139625
Energy: 0.3877201976844049
Energy: 0.3725979906167708
Energy: 0.37295499067035337
Energy: 0.30268977187063506
Energy: 0.3897153393801042
Energy: 0.30282757030645
Energy: 0.30380693834045064
Energy: 0.3913938345407272
Energy: 0.30269940547642155
Energy: 0.38769022758874966
Energy: 0.3730297849047646
Energy: 0.3739091542787843
Energy: 0.38860492466705854
Energy: 0.37350820678400515
Energy: 0.3753996881702772
Energy: 0.39537453206608575
Energy: 0.30786595991143195
Energy: 0.3077395236828206
Energy: 0.38657765613501915
Energy: 0.3078297718366448
Energy: 0.3723627980361341
Energy: 0.3921514421480371
Energy: 0.30783676584424957
Energy: 0.3075121485768223
Energy: 0.37277629377140215
Energy: 0.3079541487505075
Energy: 0.3714834316033096
Energy: 0.31803170643746825
Energy: 0.3785945118026947
Energy: 0.3787975734988951
Energy: 0.31801910219253715
Energy: 0.37956833547080737
Energy: 0.38061016879967224
Energy: 0.3186517815346703
Energy: 0.39950572505846815
Energy: 0.3182946074731873
Energy: 0.31946961318265804
Energy: 0.3996900704755133
Energy: 0.31836939843100626
Energy: 0.399608342870252
Energy: 0.3752569154162422
Energy: 0.3187082878184059
Energy: 0.4005946771596798
Energy: 0.3730262367976259
Energy: 0.3857007639048467
Energy: 0.41034276215244214
Energy: 0.33579394361510023
Energy: 0.3356129430313167
Energy: 0.4020650684120575
Energy: 0.3358700892510064
Energy: 0.3926827524046394
Energy: 0.31831671238891357
Energy: 0.33572371839500653
Energy: 0.33556727161842703
Energy: 0.3756047254882021
Energy: 0.335772401177452
Energy: 0.3186076701758177
Energy: 0.38215853314728804
Energy: 0.33652300608551966
Energy: 0.3665482216718258
Energy: 0.3822839456311039
Energy: 0.3387378882420707
Energy: 0.36651377607436947
Energy: 0.36466722352864456
Energy: 0.36619546831860106
Energy: 0.3633831432366857
Energy: 0.36546800530401985
Energy: 0.4103644047965544
Energy: 0.3634012320184594
Energy: 0.42612198494726117
Energy: 0.3825297455985246
Energy: 0.3364507403717028
Energy: 0.39285353442491405
Energy: 0.37939542079721494
Energy: 0.3358587357647545
Energy: 0.4252744212040621
Energy: 0.3961167910942455
Energy: 0.39513516832399465
Energy: 0.3968700107855947
Energy: 0.3636368709442853
Energy: 0.4553867301363115
Energy: 0.3361415010993305
Energy: 0.4084222077494584
Energy: 0.3628685894163545
Energy: 0.38325111021786984
Energy: 0.4084795603769755
Energy: 0.36826264769293077
Energy: 0.39736921353344107
Energy: 0.40847145070365537
Energy: 0.4083152191173058
Energy: 0.39527038196604986
Energy: 0.41006576404540335
Energy: 0.40817511259588485
Energy: 0.42509044680689595
Energy: 0.36470452809469667
Energy: 0.3630521210665383
Energy: 0.4255753938691178
Energy: 0.39307474835913925
Energy: 0.4081490684908523
Energy: 0.46055515448104156
Energy: 0.3356149821088027
Energy: 0.3631231703956005
Energy: 0.46137542531788595
Energy: 0.3368658205733479
Energy: 0.3632883374400343
Energy: 0.4357449824033554
Energy: 0.4083299330366627
Energy: 0.4083039411309536
Energy: 0.4368851338793254
Energy: 0.40939079257777783
Energy: 0.40864716225986475

minimum gb energy = 0.3024993125847568 eV
minimum distance =  2.61025166525763 Angstroms
sigma value = 81


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

Energy: 0.17259489569150666
Energy: 0.260231953408221
Energy: 0.07521987120618222
Energy: 0.07629746689131031
Energy: 0.2607768577380746
Energy: 0.17262085783097303
Energy: 0.27730345493597275
Energy: 0.2605089981273129
Energy: 0.26032286023793977
Energy: 0.2969243823863172
Energy: 0.2607798680076561
Energy: 0.2557341956792528
Energy: 0.2743441847561871
Energy: 0.07511455754093017
Energy: 0.07522224766625996
Energy: 0.29720558542221875
Energy: 0.0751387671227174
Energy: 0.07521852508974078
Energy: 0.2732121662631933
Energy: 0.0751662322461053
Energy: 0.07537362686227088
Energy: 0.2772690102634976
Energy: 0.07514604339576793
Energy: 0.09647008406305407
Energy: 0.09602863593102759
Energy: 0.29310204082093577
Energy: 0.29311377729228594
Energy: 0.09679229634324836
Energy: 0.29315876738862434
Energy: 0.29319453022
Energy: 0.07558426865231274
Energy: 0.2747981028539059
Energy: 0.07530281694697717
Energy: 0.07652620413901648
Energy: 0.2723501792694613
Energy: 0.07517656867855128
Energy: 0.29286706934551004
Energy: 0.2653459103573011
Energy: 0.27229187087292567
Energy: 0.29796171877416555
Energy: 0.2723414203511264
Energy: 0.2725041507097085
Energy: 0.2923276814278694
Energy: 0.07517631507937446
Energy: 0.07518280833698396
Energy: 0.2983329957983934
Energy: 0.07510227580589966
Energy: 0.07529709258713953
Energy: 0.2556570655235278
Energy: 0.07530959639213909
Energy: 0.09696597860973133
Energy: 0.2766823082150816
Energy: 0.07517173978933435
Energy: 0.09733872056106896
Energy: 0.17273306349011905
Energy: 0.2817600518374716
Energy: 0.28110815213129375
Energy: 0.0750310258841792
Energy: 0.281130746617953
Energy: 0.2760271561529037

minimum gb energy = 0.0750310258841792 eV
minimum distance =  2.767151203885 Angstroms
sigma value = 3


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

Energy: 0.46335291194836253
Energy: 0.479739738233223
Energy: 0.43595186571798217
Energy: 0.42399817078109986
Energy: 0.4798420096863624
Energy: 0.38885477394867546
Energy: 0.45672125958004706
Energy: 0.4361565552734447
Energy: 0.43611161171562624
Energy: 0.428347693058975
Energy: 0.43629265682268287
Energy: 0.4281805920538773
Energy: 0.4171674638739121
Energy: 0.404884069683052
Energy: 0.404927205121713
Energy: 0.4046030289501205
Energy: 0.4049378049699071
Energy: 0.4243646319667101
Energy: 0.4038258002669552
Energy: 0.4049774309685561
Energy: 0.4050287043703419
Energy: 0.40459534971928895
Energy: 0.3619195580691642
Energy: 0.4244409080577309
Energy: 0.3630056744422864
Energy: 0.4362303492018711
Energy: 0.4258699810400336
Energy: 0.3629603966420417
Energy: 0.43638652950952894
Energy: 0.42590832261704276
Energy: 0.40591131429369043
Energy: 0.4271159695781847
Energy: 0.40533773171827026
Energy: 0.4031087897621876
Energy: 0.4267950997430958
Energy: 0.4028356665170654
Energy: 0.4074000217078921
Energy: 0.3952927482608598
Energy: 0.39487331426226674
Energy: 0.40745715954970446
Energy: 0.3953171450973381
Energy: 0.39729730991315576
Energy: 0.4056804633001116
Energy: 0.3975043413742856
Energy: 0.39298059273703134
Energy: 0.4040137072208343
Energy: 0.38988026973677475
Energy: 0.37765170270330745
Energy: 0.4031835364319226
Energy: 0.3931812453168985
Energy: 0.40645973502720395
Energy: 0.40705693170303225
Energy: 0.33671510491121887
Energy: 0.4066645714207774
Energy: 0.37254942893030984
Energy: 0.3611404704608338
Energy: 0.3612032446570353
Energy: 0.37259393678011304
Energy: 0.3631333318916716
Energy: 0.36108987657731756
Energy: 0.3874116125424161
Energy: 0.393251671254997
Energy: 0.39364304909682524
Energy: 0.389707577193394
Energy: 0.3885111335716507
Energy: 0.3901274873730891
Energy: 0.33680743034748123
Energy: 0.39426575567992667
Energy: 0.39865852897615206
Energy: 0.3355891182832413
Energy: 0.39169085767273154
Energy: 0.3362391224816105
Energy: 0.33531617978849115
Energy: 0.38094371758079426
Energy: 0.389489218832846
Energy: 0.33521748457764805
Energy: 0.38085006975159125
Energy: 0.3356795873012017
Energy: 0.38186253673536635
Energy: 0.3204470506989639
Energy: 0.38294008879238234
Energy: 0.3828482767441213
Energy: 0.3210332556545325
Energy: 0.38293241446631304
Energy: 0.37962958127130325
Energy: 0.32057055746799046
Energy: 0.3204795224262499
Energy: 0.37822854382300175
Energy: 0.3216742313980174
Energy: 0.3204494784265282
Energy: 0.3777411334433571
Energy: 0.38324134919369424
Energy: 0.38260418926658957
Energy: 0.3812004791860414
Energy: 0.3870982127056687
Energy: 0.3816247049867408
Energy: 0.3132450241921835
Energy: 0.37796810859369045
Energy: 0.3793006900048383
Energy: 0.31324088383761073
Energy: 0.3781452432815644
Energy: 0.31325746947526373
Energy: 0.31324296333409346
Energy: 0.3768730324988184
Energy: 0.37752663176228457
Energy: 0.3132650056695876
Energy: 0.376751269215713
Energy: 0.37730552920713883
Energy: 0.39283822471080343
Energy: 0.38386725526268745
Energy: 0.37745534841948475
Energy: 0.37675484561745515
Energy: 0.3542619503380145
Energy: 0.37746468278428463
Energy: 0.3735038808947687
Energy: 0.3133933002701327
Energy: 0.31338513572570886
Energy: 0.37439768199420853
Energy: 0.31353258554552976
Energy: 0.31324034418537505
Energy: 0.3736876623086333
Energy: 0.3815088220640908
Energy: 0.3829253736852471
Energy: 0.37413755936971066
Energy: 0.35227932044594173
Energy: 0.3814140249944283
Energy: 0.32128559532811785
Energy: 0.38140054335769125
Energy: 0.35302474054970945
Energy: 0.3219907935642777
Energy: 0.37775307516053763
Energy: 0.3203576395817326
Energy: 0.32074548660899943
Energy: 0.38265852268999234
Energy: 0.382897821769743
Energy: 0.3207688110016964
Energy: 0.38320819317951405
Energy: 0.3822164916768181
Energy: 0.3814658798714704
Energy: 0.3353920441511038
Energy: 0.36835829293379374
Energy: 0.3840654298857263
Energy: 0.3352802238576739
Energy: 0.38408586756438695
Energy: 0.3880229446659904
Energy: 0.3355197538023351
Energy: 0.3354778745961716
Energy: 0.3890535083755492
Energy: 0.3356373455412553
Energy: 0.3352671748223642
Energy: 0.38861400519632505
Energy: 0.3936068816859683
Energy: 0.3862827665395834
Energy: 0.38846446768297477
Energy: 0.38370868964224897
Energy: 0.39407527106409224
Energy: 0.36100934700681975
Energy: 0.3876726454899965
Energy: 0.36665127236302403
Energy: 0.36204784331663725
Energy: 0.3624244744097078
Energy: 0.36102330259384025
Energy: 0.34841392169204205
Energy: 0.40670488720398046
Energy: 0.4063883656880033
Energy: 0.3481222591859703
Energy: 0.4065409287808438
Energy: 0.4063500084256667
Energy: 0.393677566717255
Energy: 0.4038445522348179
Energy: 0.39384442817057713
Energy: 0.3954417736041971
Energy: 0.4039511229089837
Energy: 0.3664411933517836
Energy: 0.39395302674754684
Energy: 0.39542680239680517
Energy: 0.3948860027584728
Energy: 0.39409144447388367
Energy: 0.3980140806452967
Energy: 0.3998498804083804
Energy: 0.39627302188190555
Energy: 0.4090329657414119
Energy: 0.3995404423077192
Energy: 0.3963230376953947
Energy: 0.39544726388916523
Energy: 0.3934920079568362
Energy: 0.46486801643500403
Energy: 0.40396432022110934
Energy: 0.4104232095566398
Energy: 0.4358996333680198
Energy: 0.3835010583907272
Energy: 0.42540607153323673
Energy: 0.3768973445434995
Energy: 0.40419704072858725
Energy: 0.4041940045026308
Energy: 0.3769657381785814
Energy: 0.405580671121599
Energy: 0.40855030295056943

minimum gb energy = 0.31324034418537505 eV
minimum distance =  2.59713953734223 Angstroms
sigma value = 67


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

Energy: 0.4854233172279392
Energy: 0.5611969726013555
Energy: 0.4817139615611203
Energy: 0.4645155768582443
Energy: 0.5608879192020365
Energy: 0.49674962743395723
Energy: 0.5182727553460735
Energy: 0.49127365735420103
Energy: 0.48668045133735044
Energy: 0.4976487351322144
Energy: 0.4892322248812846
Energy: 0.48307854717503784
Energy: 0.5090244993998737
Energy: 0.45482396770674793
Energy: 0.4783637175561724
Energy: 0.4884977274321822
Energy: 0.4537987146703951
Energy: 0.47910824777660654
Energy: 0.439369950153204
Energy: 0.4785584186366647
Energy: 0.47865123778821284
Energy: 0.44004204495662225
Energy: 0.4477449619636798
Energy: 0.4788838267689846
Energy: 0.43790776492824296
Energy: 0.4908796764357601
Energy: 0.4792761035182803
Energy: 0.43775142458002997
Energy: 0.4884031665195352
Energy: 0.47891751550790895
Energy: 0.44838937516867367
Energy: 0.4813577048758859
Energy: 0.4573646892097043
Energy: 0.45787761638400304
Energy: 0.48081209795856406
Energy: 0.4542241845955477
Energy: 0.4402796621864108
Energy: 0.48193511539633477
Energy: 0.4791373748069782
Energy: 0.4409076549292967
Energy: 0.48047313443358036
Energy: 0.4344107327754896
Energy: 0.4413668874540251
Energy: 0.44870366042282217
Energy: 0.44955581578172965
Energy: 0.44207027034343704
Energy: 0.4486486308734672
Energy: 0.4332397508234199
Energy: 0.44868504184748287
Energy: 0.4539640154741947
Energy: 0.4542390303322738
Energy: 0.4556205250191895
Energy: 0.3895035114644076
Energy: 0.45500784465970523
Energy: 0.45097488036487154
Energy: 0.39186218672072815
Energy: 0.388961726802558
Energy: 0.4518905711980453
Energy: 0.3913408406977135
Energy: 0.38903035533055996
Energy: 0.4490507619862673
Energy: 0.4507402950831471
Energy: 0.451977957617095
Energy: 0.44874978271269
Energy: 0.4521332393477977
Energy: 0.45073660107469826
Energy: 0.3715383765856995
Energy: 0.4431588952378419
Energy: 0.4435163891753323
Energy: 0.3678506926802834
Energy: 0.44474056831199466
Energy: 0.3677091857172192
Energy: 0.3708385808656612
Energy: 0.44130609247671543
Energy: 0.44076223173921975
Energy: 0.37130476315022254
Energy: 0.4403504808661584
Energy: 0.36758691302039986
Energy: 0.43221910431750055
Energy: 0.41172130134767426
Energy: 0.4407990819508357
Energy: 0.4402970232418093
Energy: 0.4066017439105392
Energy: 0.44034027129592396
Energy: 0.432498703364058
Energy: 0.3701915810711055
Energy: 0.3675647527835016
Energy: 0.4333382378719084
Energy: 0.3695802768286538
Energy: 0.3676488342340157
Energy: 0.4336030610214904
Energy: 0.4450741410441889
Energy: 0.44831538179115454
Energy: 0.44579902946943495
Energy: 0.3684227015639292
Energy: 0.4479913427220549
Energy: 0.39105063223428926
Energy: 0.44470663331075994
Energy: 0.44186945435410313
Energy: 0.39043675664939714
Energy: 0.44079442743744945
Energy: 0.3893529161545243
Energy: 0.3910240654417761
Energy: 0.46087124462482526
Energy: 0.4641378268103917
Energy: 0.3910371229656899
Energy: 0.45377868845378344
Energy: 0.43615464436327256
Energy: 0.43652572334674833
Energy: 0.4611812927221117
Energy: 0.43118065657397076
Energy: 0.45390530149332303
Energy: 0.4750912367325816
Energy: 0.4534350201112136
Energy: 0.43784114710533895
Energy: 0.4396389123756558
Energy: 0.4333064309009319
Energy: 0.4363251029583637
Energy: 0.4416696217816294
Energy: 0.43333917696780144
Energy: 0.43403837139910634
Energy: 0.4576507667398866
Energy: 0.4576216896754885
Energy: 0.43422486368691776
Energy: 0.42095898518071656
Energy: 0.4580828134915254
Energy: 0.5085890400168566
Energy: 0.45352086059177044
Energy: 0.45761155846387996
Energy: 0.4883395469060774
Energy: 0.4652847503499799
Energy: 0.45786470087242875
Energy: 0.470220365244391
Energy: 0.49121526345543437
Energy: 0.4868582157462282
Energy: 0.47022853537900516
Energy: 0.48937785838048403
Energy: 0.4790774985751493

minimum gb energy = 0.3675647527835016 eV
minimum distance =  2.6267225728897 Angstroms
sigma value = 33


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

Energy: 0.6681389663717507
Energy: 0.5193997295425405
Energy: 0.5521837897398945
Energy: 0.5163536626305401
Energy: 0.5190188007103609
Energy: 0.514731653836395
Energy: 0.5385383033208244
Energy: 0.503322531949403
Energy: 0.5021824131673027
Energy: 0.5074638156296037
Energy: 0.507189638828528
Energy: 0.5022522332416013
Energy: 0.5425345948591452
Energy: 0.5011560106509042
Energy: 0.5010779773681145
Energy: 0.5070849276073434
Energy: 0.5095942185000288
Energy: 0.5045142110245933
Energy: 0.50546988099286
Energy: 0.501309909646504
Energy: 0.509743426688931
Energy: 0.5060154964154182
Energy: 0.4459187830770851
Energy: 0.5094662273029463
Energy: 0.4443169389996051
Energy: 0.5056785283866394
Energy: 0.5057356270018795
Energy: 0.4443673627851217
Energy: 0.5068245818768659
Energy: 0.5081859942144245
Energy: 0.5032629327255562
Energy: 0.5152478944950479
Energy: 0.5022039528018369
Energy: 0.48524107227245594
Energy: 0.5161131140228014
Energy: 0.47856949272575056
Energy: 0.4441523652593738
Energy: 0.5005437484072826
Energy: 0.5008688092671313
Energy: 0.4442083244776279
Energy: 0.502015031012064
Energy: 0.44430681405968997
Energy: 0.44754685103071684
Energy: 0.4856994922094677
Energy: 0.4539032080304249
Energy: 0.4481157210803036
Energy: 0.4860160086396759
Energy: 0.4466570747563961
Energy: 0.46762161016552517
Energy: 0.48361982916913043
Energy: 0.48589968189846877
Energy: 0.4765499445695529
Energy: 0.40079414543777875
Energy: 0.4860287904881107
Energy: 0.4666976857715642
Energy: 0.4004309741935665
Energy: 0.40040460583774673
Energy: 0.4676095570081802
Energy: 0.4010974265341624
Energy: 0.40052628247509375
Energy: 0.4673284021396717
Energy: 0.4451664181294369
Energy: 0.47609963746520123
Energy: 0.4746527022574551
Energy: 0.40036325110174836
Energy: 0.4750584416295915
Energy: 0.4001981606652731
Energy: 0.47631301544436566
Energy: 0.47420783995348503
Energy: 0.40027112533527004
Energy: 0.472071082884087
Energy: 0.40027912859595943
Energy: 0.4002456359579244
Energy: 0.48080671246425427
Energy: 0.4806904147795693
Energy: 0.4003308667702057
Energy: 0.47604915966427425
Energy: 0.40052036925381845
Energy: 0.47347335283158304
Energy: 0.4544331841076664
Energy: 0.4850200254485569
Energy: 0.47348375092900696
Energy: 0.48844948498226315
Energy: 0.47772287103154115
Energy: 0.4359265730393854
Energy: 0.44743626424421273
Energy: 0.44705293639787447
Energy: 0.43562946757476206
Energy: 0.4484217403952889
Energy: 0.4537337370556057
Energy: 0.5002160772509784
Energy: 0.47609400996628376
Energy: 0.4757803074140503
Energy: 0.5011468553763335
Energy: 0.4099041670142936
Energy: 0.5009778662338674
Energy: 0.5435609493297944
Energy: 0.4781991984530891
Energy: 0.4765683559286259
Energy: 0.5442719226203919
Energy: 0.495059319936002
Energy: 0.4900313878552791
Energy: 0.5385081810372256
Energy: 0.5020991056095374
Energy: 0.502377963470254
Energy: 0.5035272564611508
Energy: 0.5055000107570224
Energy: 0.50088972482516
Energy: 0.5311564499555536
Energy: 0.5052940449367659
Energy: 0.5239413469906979
Energy: 0.4791055252126904
Energy: 0.5058738031325707
Energy: 0.47546688617631516
Energy: 0.47680289266126546
Energy: 0.5055987101473666
Energy: 0.5056593352752804
Energy: 0.4773043320378563
Energy: 0.5070839340680832
Energy: 0.5060188965958041
Energy: 0.5345935130121251
Energy: 0.5015672312301319
Energy: 0.5011202229821703
Energy: 0.5066781330271464
Energy: 0.49244823149995354
Energy: 0.504599083443781
Energy: 0.5066543804789017
Energy: 0.501107415778365
Energy: 0.5100120457355246
Energy: 0.5071028196297606
Energy: 0.5003654748471881
Energy: 0.5098338512115442
Energy: 0.44451368416529125
Energy: 0.5030917138062564
Energy: 0.502182451973489
Energy: 0.4443584582341568
Energy: 0.5073306805857987
Energy: 0.5082082346402924
Energy: 0.5030262085370351
Energy: 0.5154744131457384
Energy: 0.5026236948192792
Energy: 0.4856966316454445
Energy: 0.5155022772094096
Energy: 0.4850665910856544
Energy: 0.44403506472605353
Energy: 0.5097620135398702
Energy: 0.5077242092833465
Energy: 0.4441059848364798
Energy: 0.5040727361805085
Energy: 0.5090332483807691
Energy: 0.4476433084095946
Energy: 0.48587974420751906
Energy: 0.45462747142640414
Energy: 0.44720694649049747
Energy: 0.485897312567333
Energy: 0.4464895868730219
Energy: 0.4760905444269321
Energy: 0.4859649943509953
Energy: 0.48666260912269
Energy: 0.46859716189283745
Energy: 0.40092765548181153
Energy: 0.48713112735811204
Energy: 0.4666146084075839
Energy: 0.40053905949512786
Energy: 0.40050860839329827
Energy: 0.46767960643758044
Energy: 0.4019044092064909
Energy: 0.40047024215549853
Energy: 0.46699699832604974
Energy: 0.4015697117739476
Energy: 0.4775003818555673
Energy: 0.47452307667876187
Energy: 0.40074099123383666
Energy: 0.4761334730691515
Energy: 0.3999558677978648
Energy: 0.4746557595911765
Energy: 0.4759315166581733
Energy: 0.3999996180188971
Energy: 0.4737254089277585
Energy: 0.39997193519560076
Energy: 0.40027886253560424
Energy: 0.47754541481025503
Energy: 0.4447707399194514
Energy: 0.4003204522146589
Energy: 0.4758369310447422
Energy: 0.3998821767166215
Energy: 0.47340397009721064
Energy: 0.4901645018643777
Energy: 0.49026400305965206
Energy: 0.4742784456159432
Energy: 0.4887198451091573
Energy: 0.4771737694694075
Energy: 0.4355705892041762
Energy: 0.4473902647283487
Energy: 0.44639763676995015
Energy: 0.43571690756250586
Energy: 0.4476542721047311
Energy: 0.45393871090584365
Energy: 0.5001111751884879
Energy: 0.45987060360264087
Energy: 0.5074474083271139
Energy: 0.5057661021742665
Energy: 0.40982677845155263
Energy: 0.5103951277665174
Energy: 0.5450085341976615
Energy: 0.4947593342609285
Energy: 0.494240858811907
Energy: 0.5421245583248778
Energy: 0.4735320028239493
Energy: 0.49006725802176926
Energy: 0.5428532643496203
Energy: 0.5023710209088929
Energy: 0.5026707417414978
Energy: 0.5058823773690737
Energy: 0.5080698479857456
Energy: 0.5027714968677737
Energy: 0.5308631173546734
Energy: 0.5054048388904797
Energy: 0.5236644413790296
Energy: 0.4800348943627052
Energy: 0.5055484407846599
Energy: 0.48992465677335495

minimum gb energy = 0.3998821767166215 eV
minimum distance =  2.58387846899046 Angstroms
sigma value = 41


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

Energy: 0.6010475796201927
Energy: 0.5287461443043286
Energy: 0.5754879406514886
Energy: 0.5311075318229621
Energy: 0.529457028002389
Energy: 0.5749985702781836
Energy: 0.5601735345893488
Energy: 0.5167280309207976
Energy: 0.5150553919697713
Energy: 0.5151193445923543
Energy: 0.5161171125274723
Energy: 0.5143776196147081
Energy: 0.5569562034666286
Energy: 0.5288408005516261
Energy: 0.5297712366883323
Energy: 0.5576548617375657
Energy: 0.5276621215378855
Energy: 0.5140440279892351
Energy: 0.5168922909292338
Energy: 0.5286576622880285
Energy: 0.5291953799628859
Energy: 0.5174757152011511
Energy: 0.4628947649071342
Energy: 0.5151511817623076
Energy: 0.45845695866628905
Energy: 0.516776955843355
Energy: 0.5153510620151596
Energy: 0.4585459950501122
Energy: 0.5163840800390069
Energy: 0.5152874672106693
Energy: 0.5119818161170765
Energy: 0.5318040949328398
Energy: 0.5315106081053751
Energy: 0.5090661355870276
Energy: 0.5325302281482023
Energy: 0.5316779057679345
Energy: 0.45953296824389295
Energy: 0.5265677957892992
Energy: 0.5239602959884296
Energy: 0.45960543153471717
Energy: 0.5260791013089737
Energy: 0.45867737748737875
Energy: 0.4596319148668936
Energy: 0.5229727153748716
Energy: 0.4778725414166047
Energy: 0.46030770289633743
Energy: 0.5211206747617524
Energy: 0.45962999142988376
Energy: 0.49007570860833516
Energy: 0.5205325477320445
Energy: 0.5205232863904731
Energy: 0.4907693103425121
Energy: 0.4748252846638166
Energy: 0.5207922197759847
Energy: 0.4685661577633227
Energy: 0.46204159123716954
Energy: 0.45897530322440483
Energy: 0.4684662877487291
Energy: 0.45940925346828737
Energy: 0.4592448844481437
Energy: 0.515774880455205
Energy: 0.4587394830480304
Energy: 0.5254268778823519
Energy: 0.5165044569590143
Energy: 0.4308980894304844
Energy: 0.5272290927670339
Energy: 0.5592628545970635
Energy: 0.5192890226376455
Energy: 0.5190320334032624
Energy: 0.5598182326002336
Energy: 0.5195608475890747
Energy: 0.504327523547041
Energy: 0.5630024098479941
Energy: 0.5140173360184043
Energy: 0.5148985797031841
Energy: 0.5162756530595362
Energy: 0.5167081834773738
Energy: 0.5146456656414325
Energy: 0.5313631422383992
Energy: 0.515412857971635
Energy: 0.5353933281102424
Energy: 0.5182819307202577
Energy: 0.5162700795701798
Energy: 0.5343645751723717

minimum gb energy = 0.4308980894304844 eV
minimum distance =  2.65006891155198 Angstroms
sigma value = 11


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

Energy: 0.7393797744778959
Energy: 0.5783017301723804
Energy: 0.6496432126693403
Energy: 0.6000945954698065
Energy: 0.5779696616863637
Energy: 0.598806308421467
Energy: 0.6256177487447138
Energy: 0.5061024242724462
Energy: 0.5060338489223909
Energy: 0.526033320317778
Energy: 0.5062146955470309
Energy: 0.5065273258866099
Energy: 0.5992632006915616
Energy: 0.5321819152305718
Energy: 0.5218219799020284
Energy: 0.5999629522136161
Energy: 0.5491790690494369
Energy: 0.522908787565521
Energy: 0.52228593441681
Energy: 0.552152945598015
Energy: 0.5367616073394729
Energy: 0.5224431956196804
Energy: 0.49885652895325977
Energy: 0.5236163150662807
Energy: 0.5244129481693011
Energy: 0.5061823745279956
Energy: 0.5059832209136457
Energy: 0.5243670026173372
Energy: 0.5111643638863095
Energy: 0.5062477883441301
Energy: 0.5246736193352419
Energy: 0.511596422404781
Energy: 0.5114905321565989
Energy: 0.5556747776287374
Energy: 0.5112682929981532
Energy: 0.5560822552936955
Energy: 0.5111629363601224
Energy: 0.5565374521549051
Energy: 0.5568165279317746
Energy: 0.5111855059558167
Energy: 0.5503793701861778
Energy: 0.5113444382130112
Energy: 0.5113900106322286
Energy: 0.5250157401334652
Energy: 0.5388947344182728
Energy: 0.5068457679938257
Energy: 0.5245764394954308
Energy: 0.5060592362089336
Energy: 0.5087384389257403
Energy: 0.5224106673088426
Energy: 0.5233369935054701
Energy: 0.5159651438613876
Energy: 0.5259806123115723
Energy: 0.5231272385867521
Energy: 0.5089232597680378
Energy: 0.5542121747518556
Energy: 0.5194858313558902
Energy: 0.5403455768497827
Energy: 0.5995328987449572
Energy: 0.5282978092786973
Energy: 0.5426271345110466
Energy: 0.51635212231753
Energy: 0.5393199284528002
Energy: 0.5423996850287822
Energy: 0.5158980534471829
Energy: 0.5060322844409861
Energy: 0.535949623941864
Energy: 0.5214519283289994
Energy: 0.5246678340565604
Energy: 0.5359070350182435
Energy: 0.521608515020783
Energy: 0.5215238927001589
Energy: 0.5353823053337171
Energy: 0.522465967781419
Energy: 0.5247190470758981
Energy: 0.5359526377445532
Energy: 0.5252662351986579
Energy: 0.5060322637554636
Energy: 0.5158299340957716
Energy: 0.5991515699485347
Energy: 0.5252094972541903
Energy: 0.530822253809425
Energy: 0.6005361307875088
Energy: 0.5231653112310335
Energy: 0.4993435673822085
Energy: 0.5306111589614506
Energy: 0.5328207855518956
Energy: 0.49939695730615397
Energy: 0.530382994674833
Energy: 0.5337455060702962
Energy: 0.4998768424677034
Energy: 0.5446385175372054
Energy: 0.5001690380851442
Energy: 0.5006192522316699
Energy: 0.5304928141520681
Energy: 0.4994507134014872
Energy: 0.4990685202061562
Energy: 0.5417747148892547
Energy: 0.5447784488780127
Energy: 0.49905563586638546
Energy: 0.5424264577735348
Energy: 0.5441778510462553
Energy: 0.5928669014674849
Energy: 0.5458343559622607
Energy: 0.5408829559228439
Energy: 0.5636037969665858
Energy: 0.5456709967748093
Energy: 0.5172490516240532
Energy: 0.5168302336003548
Energy: 0.5123031600687218
Energy: 0.5128394509490616
Energy: 0.5168486483844195
Energy: 0.5130755868172558
Energy: 0.5167615244532118
Energy: 0.5273590134807575
Energy: 0.5263214811535625
Energy: 0.5253959083015693
Energy: 0.5278700887828995
Energy: 0.54163332424543
Energy: 0.5181181747360709
Energy: 0.5464738921770089
Energy: 0.5273629770321347
Energy: 0.5138699797370194
Energy: 0.546244204123944
Energy: 0.5264528807130227
Energy: 0.5124148354147324
Energy: 0.5103158167891375
Energy: 0.5125123880865082
Energy: 0.5124900047357847
Energy: 0.5051013446818631
Energy: 0.5391710151705046
Energy: 0.5124342944759803
Energy: 0.5333781353233873
Energy: 0.5411793573867084
Energy: 0.5255835435715638
Energy: 0.5519376162914008
Energy: 0.5420731300341053
Energy: 0.5265565471649704
Energy: 0.556099392312553
Energy: 0.5164732202223717
Energy: 0.5167401921319671
Energy: 0.51776318384397
Energy: 0.5165892340839922
Energy: 0.5164489836135436
Energy: 0.5469010487210979
Energy: 0.527405104797026
Energy: 0.5266741267930232
Energy: 0.5470535409635684
Energy: 0.5546739464955877
Energy: 0.526615974222623
Energy: 0.5281471955253433
Energy: 0.49939844721721266
Energy: 0.5445316791470787
Energy: 0.537570825937429
Energy: 0.49928521523834496
Energy: 0.5450969019841083
Energy: 0.5239863271518962
Energy: 0.4996753538754512
Energy: 0.49962486455412136
Energy: 0.5247120817346473
Energy: 0.5009701076083443
Energy: 0.4992269803847845
Energy: 0.5266244008202867
Energy: 0.49981049897879093
Energy: 0.532937858040738
Energy: 0.5266067083346939
Energy: 0.4992518604572653
Energy: 0.5354420853696439
Energy: 0.5990498196598958
Energy: 0.5158006882687928
Energy: 0.514802694647656
Energy: 0.5999745573710045
Energy: 0.5084151293074957
Energy: 0.5144397480788235
Energy: 0.6240692490163792
Energy: 0.5058855899215037
Energy: 0.5065619502610904
Energy: 0.5270336666991842
Energy: 0.505990535513258
Energy: 0.5244699362337192
Energy: 0.7381460102814585
Energy: 0.5674878031283821
Energy: 0.5218215790931475
Energy: 0.5240077140514983
Energy: 0.5677487827011175
Energy: 0.5219476843835703

minimum gb energy = 0.49885652895325977 eV
minimum distance =  2.56173686306978 Angstroms
sigma value = 57


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

Energy: 0.6567887779954604
Energy: 0.6913440885486678
Energy: 0.5581004632067097
Energy: 0.5950906052538238
Energy: 0.6953130367325346
Energy: 0.5947772464076252
Energy: 0.573646552208137
Energy: 0.5018015457677167
Energy: 0.5017234889054393
Energy: 0.5016308441386358
Energy: 0.5010188856760102
Energy: 0.5098301546229261
Energy: 0.5383234011090201
Energy: 0.5314530967237038
Energy: 0.5311928425076927
Energy: 0.538912396223584
Energy: 0.5306772557460505
Energy: 0.5254119011850162
Energy: 0.5257199507452194
Energy: 0.49721047424949766
Energy: 0.4989716225370404
Energy: 0.5264752944277205
Energy: 0.500053223884408
Energy: 0.4978685911019627
Energy: 0.5791343869219531
Energy: 0.49558911795988847
Energy: 0.4983529735348736
Energy: 0.4980149080377352
Energy: 0.5328828125265159
Energy: 0.4995493664091149
Energy: 0.579063116157488
Energy: 0.531086736913603
Energy: 0.5315207643607461
Energy: 0.5382307966444392
Energy: 0.5331399213953291
Energy: 0.538382800081501
Energy: 0.5316379584508552
Energy: 0.4921926136015666
Energy: 0.4922550861921942
Energy: 0.5324348502909884
Energy: 0.49402243061372436
Energy: 0.5397392601035893
Energy: 0.531040903731921
Energy: 0.5094984860741336
Energy: 0.49823313574422634
Energy: 0.4982097276863132
Energy: 0.5029736131185677
Energy: 0.5131589876928202
Energy: 0.6588745672217187
Energy: 0.5254161586397663
Energy: 0.5506930756612876
Energy: 0.4886047917088625
Energy: 0.5259747822014389
Energy: 0.5511401286335746
Energy: 0.6591766128071787
Energy: 0.5261510943584318
Energy: 0.5509489540713031
Energy: 0.487801465756933
Energy: 0.541668743658147
Energy: 0.5235600444815728
Energy: 0.5318897556349172
Energy: 0.4985575722476408
Energy: 0.4977977207129543
Energy: 0.4982120654412939
Energy: 0.501653704567367
Energy: 0.5106957356463963
Energy: 0.5264844933800814
Energy: 0.5302997583504517
Energy: 0.5352836747852506
Energy: 0.5266033106023359
Energy: 0.5311891981532402
Energy: 0.5252827258246043
Energy: 0.502816394773985
Energy: 0.5013154562383283
Energy: 0.5009330467926023
Energy: 0.5036385109482607
Energy: 0.5024664163920334
Energy: 0.5105222633226426
Energy: 0.5796265619092554
Energy: 0.5321408531369284
Energy: 0.5266722348205014
Energy: 0.5382276363597222
Energy: 0.5325065550419286
Energy: 0.5257460593825615
Energy: 0.5307654074867679
Energy: 0.4872082149630095
Energy: 0.4954682310165998
Energy: 0.5307872649379255
Energy: 0.4880084490508295
Energy: 0.5081015823895715
Energy: 0.5385932979453579
Energy: 0.4885062531832581
Energy: 0.489596230303338
Energy: 0.5391849452580728
Energy: 0.49022401018075645
Energy: 0.5254635867879026
Energy: 0.4957065342558252
Energy: 0.5014726337095642
Energy: 0.5010746230246972
Energy: 0.4957738966436937
Energy: 0.5005560593218122
Energy: 0.5102578681877582

minimum gb energy = 0.4872082149630095 eV
minimum distance =  2.62543592059319 Angstroms
sigma value = 9


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

Energy: 0.7578000902463299
Energy: 0.6017800041265088
Energy: 0.5421915065459216
Energy: 0.6563108065814243
Energy: 0.6015774356875357
Energy: 0.652568493622761
Energy: 0.5850890385265184
Energy: 0.5434123661156006
Energy: 0.5476652326881383
Energy: 0.5287543838313474
Energy: 0.5450381348818163
Energy: 0.5556995956344636
Energy: 0.6079876579583233
Energy: 0.5648073761958207
Energy: 0.5814295180991765
Energy: 0.6086278934413732
Energy: 0.56378315130822
Energy: 0.5581457630308627
Energy: 0.5600664007003349
Energy: 0.5651510416102153
Energy: 0.5656149106492957
Energy: 0.573586952947273
Energy: 0.5276158892956502
Energy: 0.5650722765281049
Energy: 0.5242238560150787
Energy: 0.5466982864974674
Energy: 0.5321145223768857
Energy: 0.5235614279627285
Energy: 0.549698730165592
Energy: 0.5523359842212556
Energy: 0.5343354538865969
Energy: 0.5304578648207782
Energy: 0.5491363579434063
Energy: 0.5351368058686669
Energy: 0.5316978171598243
Energy: 0.5492357704255569
Energy: 0.5368977613626807
Energy: 0.5961009727799031
Energy: 0.5398467310721521
Energy: 0.5375338468227538
Energy: 0.598547655162086
Energy: 0.5403703635910032
Energy: 0.5489598872289475
Energy: 0.5389071929254433
Energy: 0.5561918071775621
Energy: 0.5489147724527276
Energy: 0.540041749100158
Energy: 0.5566986718482784
Energy: 0.6005996860624564
Energy: 0.5428076507817735
Energy: 0.5363113159277109
Energy: 0.5653175177393948
Energy: 0.5731211001859998
Energy: 0.5714269532260629
Energy: 0.6008005759176884
Energy: 0.5367058965278714
Energy: 0.5364075924813904
Energy: 0.5652603591507241
Energy: 0.5378730925679552
Energy: 0.5561548110698457
Energy: 0.5491772511855413
Energy: 0.5455760819729737
Energy: 0.5509575481336232
Energy: 0.5492275472613862
Energy: 0.5222955286277541
Energy: 0.5578345668816057
Energy: 0.5494639612756026
Energy: 0.5386461470504896
Energy: 0.541499135091456
Energy: 0.5494311225155241
Energy: 0.5330733314565136
Energy: 0.5418791022523057
Energy: 0.6076300569253711
Energy: 0.5627166691380788
Energy: 0.559674840050053
Energy: 0.6009776166383346
Energy: 0.5616347562059232
Energy: 0.6003171640355447
Energy: 0.6118911729748514
Energy: 0.5595819258727889
Energy: 0.5604715127044305
Energy: 0.5961563163703013
Energy: 0.5669219702992974
Energy: 0.583139630670166
Energy: 0.579915655366354
Energy: 0.5222312483697361
Energy: 0.549554687317514
Energy: 0.5806867007778904
Energy: 0.5220702298838147
Energy: 0.5665057699960538
Energy: 0.5743726468824722
Energy: 0.5805987860967717
Energy: 0.536320504978488
Energy: 0.5749303894593516
Energy: 0.5649137372774301
Energy: 0.5386753855660834
Energy: 0.5697983539527164
Energy: 0.5613045201762824
Energy: 0.5278539605405375
Energy: 0.5283276448953891
Energy: 0.5637606640313612
Energy: 0.5640222660239925
Energy: 0.5673038857795334
Energy: 0.5701970106059039
Energy: 0.5797540529823123
Energy: 0.5646141612537695
Energy: 0.5674258636506102
Energy: 0.5685554387847456
Energy: 0.5674410984540147
Energy: 0.5274668880569343
Energy: 0.5278798941869227
Energy: 0.5676020599175904
Energy: 0.5303457164811615
Energy: 0.5739662524065643
Energy: 0.5672269832134891
Energy: 0.5282090841200661
Energy: 0.5281783473684459
Energy: 0.5672525839304072
Energy: 0.5291995090424598
Energy: 0.5588469343959087
Energy: 0.5925016556630507
Energy: 0.5453962801399409
Energy: 0.5337208588753897
Energy: 0.5386284512651593
Energy: 0.545358092273509
Energy: 0.5428109194746089

minimum gb energy = 0.5220702298838147 eV
minimum distance =  2.53626535731796 Angstroms
sigma value = 27


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

Energy: 0.6432374289312354
Energy: 0.6956844595063028
Energy: 0.5803026739240644
Energy: 0.6016317755177351
Energy: 0.7027175392039673
Energy: 0.6103744368190379
Energy: 0.5918604031604594
Energy: 0.5633174518394638
Energy: 0.5151222677874421
Energy: 0.5888513498352875
Energy: 0.6102108102509145
Energy: 0.5155154839597231
Energy: 0.6516171387014772
Energy: 0.5876679135838718
Energy: 0.5452983231284618
Energy: 0.5689793104532777
Energy: 0.5093551436673137
Energy: 0.6082104497561287
Energy: 0.5984810485782138
Energy: 0.589234663802829
Energy: 0.556507848847961
Energy: 0.6029863812725068
Energy: 0.5398364133215585
Energy: 0.5571152893495546
Energy: 0.511460675736423
Energy: 0.590027403208805
Energy: 0.5788207867313182
Energy: 0.512117430844137
Energy: 0.583353014450957
Energy: 0.5451625417420523
Energy: 0.5916553385384763
Energy: 0.5659919432899061
Energy: 0.5372231074147669
Energy: 0.5373015587212777
Energy: 0.5835557341085906
Energy: 0.5369012490894477
Energy: 0.603645062342686
Energy: 0.5721169513689052
Energy: 0.5652268735580693
Energy: 0.5428754824438865
Energy: 0.5740357271366777
Energy: 0.5662862105024837
Energy: 0.6090687509530284
Energy: 0.5412996361163664
Energy: 0.5700091455096288
Energy: 0.6123823784361662
Energy: 0.535769094731328
Energy: 0.5667611052069322
Energy: 0.6600649453966653
Energy: 0.5528936126029609
Energy: 0.5511598436937005
Energy: 0.5375739517199752
Energy: 0.5695042896888997
Energy: 0.5492714871079534
Energy: 0.6582514533112813
Energy: 0.5396719011055513
Energy: 0.5398647432600758
Energy: 0.5375724128110728
Energy: 0.5396725062347696
Energy: 0.5528628250341199
Energy: 0.5517696372396748
Energy: 0.49144833001693017
Energy: 0.5216954018125476
Energy: 0.5518766467141634
Energy: 0.5072756678656286
Energy: 0.5132254334300493
Energy: 0.5518607907383352
Energy: 0.5132032100551847
Energy: 0.5133936414916918
Energy: 0.5518060621875899
Energy: 0.5132055539745012
Energy: 0.5140107424601285
Energy: 0.5550233345720413
Energy: 0.557380777822667
Energy: 0.5511792099668066
Energy: 0.5564037519392172
Energy: 0.5580917165766619
Energy: 0.5520112009352501
Energy: 0.5523641192566553
Energy: 0.551482374751091
Energy: 0.5519403124289677
Energy: 0.5523398275186382
Energy: 0.5572686561977431
Energy: 0.5525174183458895
Energy: 0.5347393034816021
Energy: 0.5135140017721908
Energy: 0.5134856367867441
Energy: 0.5354479850418505
Energy: 0.5146782617547518
Energy: 0.5248829738209297
Energy: 0.5738674162812302
Energy: 0.5327266943229044
Energy: 0.552047672606199
Energy: 0.5367447521198214
Energy: 0.5234001292318399
Energy: 0.560914293215752
Energy: 0.515224214833547
Energy: 0.5684354115619193
Energy: 0.5667476803965149
Energy: 0.5157833167354976
Energy: 0.5928504474214108
Energy: 0.5519935467414188
Energy: 0.5631650751659861
Energy: 0.5692695466679205
Energy: 0.5362811042842907
Energy: 0.5377601759107113
Energy: 0.585157302309423
Energy: 0.5364560989012697
Energy: 0.6106086469302181
Energy: 0.5755156555886171
Energy: 0.5752824092862382
Energy: 0.6121837760771959
Energy: 0.5755086452618845
Energy: 0.568099883815774
Energy: 0.6037633681593216
Energy: 0.5759129286270218
Energy: 0.5755035298427214
Energy: 0.5419882441846645
Energy: 0.5759374122813196
Energy: 0.5682096679555192
Energy: 0.6858735079295181
Energy: 0.5672994820844927
Energy: 0.5364867801776263
Energy: 0.5379630152047118
Energy: 0.5869161513769245
Energy: 0.5364484113204082
Energy: 0.5082029112659219
Energy: 0.5754213644384807
Energy: 0.5793840443087738
Energy: 0.5086273462858933
Energy: 0.5930223344504533
Energy: 0.508287478193045
Energy: 0.6353776159520634
Energy: 0.568965906355879
Energy: 0.5279687352128764
Energy: 0.5855566049747714
Energy: 0.4910613282158079
Energy: 0.6456269188516042
Energy: 0.5879860407234992
Energy: 0.5183415297434928
Energy: 0.5139466538250265
Energy: 0.5839125626698469
Energy: 0.5566557040989215
Energy: 0.5616768501119325
Energy: 0.5615080225078208
Energy: 0.611963953265639
Energy: 0.6032987016457866
Energy: 0.5116545343493933
Energy: 0.6084375003114252
Energy: 0.5420665348536897

minimum gb energy = 0.4910613282158079 eV
minimum distance =  2.46213213504311 Angstroms
sigma value = 19


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

Energy: 0.734143838808509
Energy: 0.5164079039870608
Energy: 0.5439486372758731
Energy: 0.6920644078764535
Energy: 0.5162755730586522
Energy: 0.5359441832613154
Energy: 0.5468501540121178
Energy: 0.48490068906429984
Energy: 0.48481143271401794
Energy: 0.5424482647552094
Energy: 0.49870951703119437
Energy: 0.48507280349936927
Energy: 0.5479947524534955
Energy: 0.4843994267886626
Energy: 0.4845216834448952
Energy: 0.5465866752597103
Energy: 0.48445292030825543
Energy: 0.48477437630167386
Energy: 0.551991414190438
Energy: 0.48501660036288824
Energy: 0.48531556912582985
Energy: 0.5407870157560819
Energy: 0.48498926097990264
Energy: 0.48518426760725075
Energy: 0.49341544495869644
Energy: 0.5461353871338037
Energy: 0.48544739493340744
Energy: 0.4948978710780191
Energy: 0.5437835270078635
Energy: 0.484492735862471
Energy: 0.49847523975797914
Energy: 0.4846620012575901
Energy: 0.5382603003905245
Energy: 0.49860854012215194
Energy: 0.5346552949811495
Energy: 0.5367464259302032
Energy: 0.5829898848492299
Energy: 0.5090664574216629
Energy: 0.4712828659612355
Energy: 0.5833015251981093
Energy: 0.5098090570702354
Energy: 0.5235824708455646
Energy: 0.5809027052877868
Energy: 0.4838986244098712
Energy: 0.48488814633267396
Energy: 0.5805437510667004
Energy: 0.49663288128174304
Energy: 0.4850154515463772
Energy: 0.4843800124216197
Energy: 0.4851845338226257
Energy: 0.485501586498543
Energy: 0.48437460269071175
Energy: 0.5431189228332959
Energy: 0.4850075862499985
Energy: 0.48443429882360667
Energy: 0.4850004578933684
Energy: 0.4849874913652963
Energy: 0.48445434393272563
Energy: 0.5430607780294302
Energy: 0.48512301504756233
Energy: 0.6425361436438721
Energy: 0.47384496837790113
Energy: 0.47387514073345977
Energy: 0.569347186881143
Energy: 0.4739100707299112
Energy: 0.6183048432553593
Energy: 0.5361749936695177
Energy: 0.4729687204040779
Energy: 0.47354865135315355
Energy: 0.5362704091190545
Energy: 0.49788353859136236
Energy: 0.47300945818744833
Energy: 0.520408608022518
Energy: 0.5378741653136712
Energy: 0.5380313571999887
Energy: 0.47153521356757633
Energy: 0.5377871483867065
Energy: 0.5096789037863587
Energy: 0.562694375071203
Energy: 0.5413241984740081
Energy: 0.4845140386904623
Energy: 0.49479657397557186
Energy: 0.541878291831999
Energy: 0.4846610758767932
Energy: 0.536427664903555
Energy: 0.4724114327755371
Energy: 0.47258082263584444
Energy: 0.5363239587781093
Energy: 0.47246178430715374
Energy: 0.47321822423350646
Energy: 0.5359878032992249
Energy: 0.4726507327136073
Energy: 0.47259699756542023
Energy: 0.535956707206085
Energy: 0.4727345192319518
Energy: 0.4725788733482314
Energy: 0.5006010799693069
Energy: 0.5423366076111478
Energy: 0.49396683437000394
Energy: 0.4747672867640571
Energy: 0.5405899687016811
Energy: 0.4940223360955552
Energy: 0.5403864589052769
Energy: 0.5229584945866822
Energy: 0.4724462523926995
Energy: 0.49322264991299614
Energy: 0.5361018829195456
Energy: 0.4727423597912648
Energy: 0.5582682448276048
Energy: 0.47186277315759223
Energy: 0.5257288434145025
Energy: 0.5580879942221458
Energy: 0.47181510146477096
Energy: 0.4726584987660905
Energy: 0.5420963302050685
Energy: 0.471800814665067
Energy: 0.47200067405955376
Energy: 0.5426571294630236
Energy: 0.4717294581350796
Energy: 0.4963560224622628
Energy: 0.47255869482991825
Energy: 0.47262620276918027
Energy: 0.4726184105007856
Energy: 0.4724318661789549
Energy: 0.536244423984912
Energy: 0.47301506157593315
Energy: 0.4809757712302057
Energy: 0.4729308892367981
Energy: 0.4730828125727533
Energy: 0.4811411329494029
Energy: 0.5361022907445652
Energy: 0.4733246386355974
Energy: 0.5384443782552575
Energy: 0.49337745898938323
Energy: 0.4940998111759359
Energy: 0.5145956766303945
Energy: 0.4692417708717055
Energy: 0.4708078814588205
Energy: 0.5475254107598788
Energy: 0.46928884366013984
Energy: 0.47390858114997636
Energy: 0.5476636412985773
Energy: 0.46914057780256707
Energy: 0.47382842197565017
Energy: 0.5215387812951304
Energy: 0.5265515888053015
Energy: 0.47331132900388345
Energy: 0.49787774935650425
Energy: 0.5362011511012411
Energy: 0.47311456648961736
Energy: 0.4978301669991078
Energy: 0.5323723023403196
Energy: 0.4850030293731253
Energy: 0.4836756998309693
Energy: 0.5433382698617489
Energy: 0.4845990618710742
Energy: 0.5467169719058215
Energy: 0.4845760481645535
Energy: 0.4849425860172467
Energy: 0.5468549063405095
Energy: 0.4845087000937449
Energy: 0.4846611744294834
Energy: 0.546981493752588
Energy: 0.4847920495520919
Energy: 0.485331528269523
Energy: 0.5464717449088959
Energy: 0.4843927818069713
Energy: 0.485313712700335
Energy: 0.540533831557343
Energy: 0.5789088192179498
Energy: 0.5818074469189551
Energy: 0.4687888392639315
Energy: 0.5772127364401775
Energy: 0.47339837672610885

minimum gb energy = 0.4687888392639315 eV
minimum distance =  2.5534437300273 Angstroms
sigma value = 101


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

Energy: 0.6867785956173434
Energy: 0.4971682530482097
Energy: 0.5690138557554628
Energy: 0.6641360923529657
Energy: 0.5999222474413155
Energy: 0.6647375176882506
Energy: 0.5930268846432737
Energy: 0.5229699106882033
Energy: 0.4627059011151319
Energy: 0.5471742129227462
Energy: 0.48722760268952864
Energy: 0.46235948063681537
Energy: 0.5450816332343558
Energy: 0.4621790380548236
Energy: 0.4621016286836984
Energy: 0.5458802660207837
Energy: 0.4622032107230704
Energy: 0.4622529604263141
Energy: 0.4872735830108437
Energy: 0.4630763012432633
Energy: 0.46232149133874917
Energy: 0.4873454233553669
Energy: 0.4624967552719996
Energy: 0.47424929829230017
Energy: 0.47395961853465657
Energy: 0.5163862251416053
Energy: 0.5103298840357727
Energy: 0.4748833759316784
Energy: 0.5381560665069219
Energy: 0.47349026101696035
Energy: 0.5021746246313702
Energy: 0.47327124858554054
Energy: 0.4629993698409067
Energy: 0.5016486869076657
Energy: 0.5448268621717713
Energy: 0.4619421290298929
Energy: 0.5177029167302503
Energy: 0.4608135359591615
Energy: 0.46077362918717
Energy: 0.5180961526648875
Energy: 0.4611626562593754
Energy: 0.46086470358993686
Energy: 0.4771660291414357
Energy: 0.46237952345553673
Energy: 0.4623415108281664
Energy: 0.4775229414858982
Energy: 0.4620023451977375
Energy: 0.5211988698635845
Energy: 0.46325290736308555
Energy: 0.4622656614106268
Energy: 0.4622149047310424
Energy: 0.46207605916106265
Energy: 0.51557347025703
Energy: 0.46195677069470525
Energy: 0.4617717344742557
Energy: 0.46207396466456957
Energy: 0.4619241108293256
Energy: 0.46181164499456084
Energy: 0.461723490420668
Energy: 0.4618791068889402
Energy: 0.5973298364561386
Energy: 0.4475340155163522
Energy: 0.44769727269357407
Energy: 0.5980796487921168
Energy: 0.4476763681833558
Energy: 0.6683549397398056
Energy: 0.5521131002209101
Energy: 0.46294124112906615
Energy: 0.4625195795672558
Energy: 0.5527093529276818
Energy: 0.5089611768445036
Energy: 0.4620775487122181
Energy: 0.48643985601195067
Energy: 0.5367214569653984
Energy: 0.4624570467410217
Energy: 0.46201473150934175
Energy: 0.5363478111052176
Energy: 0.46230042683381106
Energy: 0.4859396953257208
Energy: 0.4626354011015473
Energy: 0.4627045562484444
Energy: 0.4859245953101777
Energy: 0.47312754924905576
Energy: 0.462018108054688
Energy: 0.5440054315788194
Energy: 0.46228551510240184
Energy: 0.4618883475426084
Energy: 0.5449508262380095
Energy: 0.46373861251176013
Energy: 0.4617957134167568
Energy: 0.543937830947345
Energy: 0.46186776307722677
Energy: 0.46283634730855433
Energy: 0.5150724971093256
Energy: 0.4617671557612936
Energy: 0.4624590491078548
Energy: 0.496128913335744
Energy: 0.5971635130940168
Energy: 0.474841847156287
Energy: 0.4484724265494108
Energy: 0.46568087656113805
Energy: 0.44693403353659295
Energy: 0.5857200462846834
Energy: 0.46200371834593323
Energy: 0.46242008977036614
Energy: 0.5184221738059965
Energy: 0.5437862612401702
Energy: 0.4737915969437473
Energy: 0.5445699215948201
Energy: 0.4620496468061129
Energy: 0.461908647359304
Energy: 0.5444638868075327
Energy: 0.46197316742576827
Energy: 0.46238599296915156
Energy: 0.545098198864147
Energy: 0.4621170814337226
Energy: 0.4622026429945618
Energy: 0.5453681469239983
Energy: 0.4621056352512769
Energy: 0.4624277603750669
Energy: 0.47549616819536417
Energy: 0.4624102656058137
Energy: 0.46226150817045175
Energy: 0.4750803990809125
Energy: 0.5376681929172136
Energy: 0.473736866361059
Energy: 0.4870072059909569
Energy: 0.46196197483728124
Energy: 0.46215099889100675
Energy: 0.4870730197029544
Energy: 0.5149434904487485
Energy: 0.4623817573942878
Energy: 0.5368038199602433
Energy: 0.4610807868614392
Energy: 0.46092885243046117
Energy: 0.5365171604795889
Energy: 0.46135790995159165
Energy: 0.4608434613904791
Energy: 0.5942090028460673
Energy: 0.4609649209072429
Energy: 0.46094989027493466
Energy: 0.5949381843717005
Energy: 0.46118135677772776
Energy: 0.5105819561371565
Energy: 0.4618276825090215
Energy: 0.4627988678073324
Energy: 0.4629231427080591
Energy: 0.4617886185893985
Energy: 0.515314482646215
Energy: 0.4622677951623781
Energy: 0.46286994233660783
Energy: 0.4621197107679534
Energy: 0.4621516247782704
Energy: 0.46310589579808087
Energy: 0.5384412070754181
Energy: 0.46217481524135123
Energy: 0.5385898248473797
Energy: 0.4476264545248689
Energy: 0.4475729793137506
Energy: 0.5391720138959872
Energy: 0.45016892077850157
Energy: 0.4474708601770692
Energy: 0.5461928559722813
Energy: 0.44766209843773014
Energy: 0.4476694216434567
Energy: 0.5445163507383799
Energy: 0.44759671666909256
Energy: 0.46240030319419384
Energy: 0.48632688162025295
Energy: 0.5082832231561888
Energy: 0.4626789951095817
Energy: 0.48606572819054567
Energy: 0.5308028884271335
Energy: 0.46185022770201023
Energy: 0.48744009545664446
Energy: 0.4738417308408936
Energy: 0.4744311778097006
Energy: 0.46093380088953423
Energy: 0.5024650316909427
Energy: 0.4743398116706743
Energy: 0.545227874975439
Energy: 0.46198961211030193
Energy: 0.46220970734412326
Energy: 0.5448615656878675
Energy: 0.46189940171144295
Energy: 0.4622984716091419
Energy: 0.5437938545504324
Energy: 0.46194576910412427
Energy: 0.4626340465340772
Energy: 0.5441128119004834
Energy: 0.4616795563782178
Energy: 0.46277031701235216
Energy: 0.49765739552411525
Energy: 0.4664080862343565
Energy: 0.448171739319557
Energy: 0.47365407481475974
Energy: 0.4661879234903721
Energy: 0.48204201316213

minimum gb energy = 0.44693403353659295 eV
minimum distance =  2.52423226865278 Angstroms
sigma value = 33


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

Energy: 0.011885077325094152
Energy: 0.425236089267644
Energy: 0.012161923364958792
Energy: 0.013242439253087065
Energy: 0.42465082309855723
Energy: 0.012136589424322131
Energy: 0.2767839095116674
Energy: 0.06242519123596869
Energy: 0.06242655785143243
Energy: 0.06186084552390334
Energy: 0.06168496741882609
Energy: 0.061891475676581514
Energy: 0.6423432575032353
Energy: 0.42513221079909774
Energy: 0.4254225296534387
Energy: 0.4245195178262069
Energy: 0.4247426470511375
Energy: 0.42483644486492717
Energy: 0.2767839095127103
Energy: 0.06242519123770024
Energy: 0.062426557849012194
Energy: 0.06186084552319498
Energy: 0.06168496741984928
Energy: 0.06189147567589283

minimum gb energy = 0.011885077325094152 eV
minimum distance =  2.82420866854582 Angstroms
sigma value = 1