Model name: model_name=EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.040926471352577
cohesive_energy=3.905455928316686
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.96918578166148e-19, 3.6131165926324195e-19, 4.0193484781831197e-19, 4.33433640442752e-19, 4.596692828245019e-19, 4.818321922026239e-19, 5.00662574182026e-19, 5.1677406241352995e-19, 5.307322252489379e-19, 5.4316191157551e-19, 5.5460465709553795e-19, 5.654401776712799e-19, 5.75812669199796e-19, 5.855138487186659e-19, 5.942473135506e-19, 6.01819200322884e-19, 6.081686263234259e-19, 6.133404524979779e-19, 6.17440422504384e-19, 6.20590301766828e-19, 6.229054470029579e-19, 6.244771822809119e-19, 6.25382412079122e-19, 6.256740082265099e-19, 6.2536158378288e-19, 6.243490081501919e-19, 6.225033006678239e-19, 6.1964982408267e-19, 6.1557228454914e-19, 6.10051183868376e-19, 6.02894260844298e-19, 5.93920469517264e-19, 5.82923129101488e-19, 5.69623460862654e-19, 5.5358407057967995e-19, 5.34091989650436e-19, 5.099455855994219e-19, 4.79092470158484e-19, 4.37951778550632e-19, 3.80162869538886e-19, 2.9442238697037597e-19, 1.64384924825034e-19, -4.05220912094646e-20, -3.78152137863216e-19, -9.60506494259634e-19, -2.0149774437500997e-18, -4.02237659202138e-18, -8.052619871315699e-18, -1.6665841346867998e-17, -3.65563836049878e-17, -8.72309874911202e-17, -2.34419269850442e-16, -7.497898255325879e-16, -3.1512731561155797e-15]
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: 0.013637428704330264
Energy: 0.07493348383815011
Energy: 0.07468639294366576
Energy: 0.07462126310911901
Energy: 0.014647183991056962
Energy: 0.014624977656854308
Energy: 0.07459489012897472
Energy: 0.0745643032967638
Energy: 0.0747109354568875
Energy: 0.01460732605958609
Energy: 0.07464024179699298
Energy: 0.07444982905626363
Energy: 0.07517455257016233
Energy: 0.39230631964298984
Energy: 0.07526460953877624
Energy: 0.0745551221880208
Energy: 0.07458197574504695
Energy: 0.07532471782101983
Energy: 0.3911829796566326
Energy: 0.07513343581340556
Energy: 0.07413417859422791
Energy: 0.01443005926440358
Energy: 0.01399669200574981
Energy: 0.07439443838631897
Energy: 0.392198855077385
Energy: 0.07404954969740785
Energy: 0.01423222576407963
Energy: 0.014016329741354328
Energy: 0.0744029361909263
Energy: 0.07422726557556773
Energy: 0.07405820447893104
Energy: 0.014609029278910796
Energy: 0.014216890798004006
Energy: 0.07409827041400976
Energy: 0.07430137688824713
Energy: 0.07438910928743517
Energy: 0.01429240706762622
Energy: 0.014050384681822506
Energy: 0.07395904892330116
Energy: 0.07412595764365011
Energy: 0.07414086345730726
Energy: 0.07463291766871814
Energy: 0.07421124581599445
Energy: 0.014186053007841936
Energy: 0.014113233382272206
Energy: 0.07390386670566335
Energy: 0.07497338852715221
Energy: 0.07419810107188606
Energy: 0.014204690609635603
Energy: 0.07420500958377553
Energy: 0.07413186118250521
Energy: 0.3930886193239995
Energy: 0.07480321252134002
Energy: 0.014059815020923018
Energy: 0.014606266788584921
Energy: 0.07437589045588387
Energy: 0.39264067108895534
Energy: 0.07498450915546936
Energy: 0.01415383315035347
Energy: 0.014787995056622696
Energy: 0.01492682469821503
Energy: 0.07444683816690245
Energy: 0.07449016003456613
Energy: 0.07521301709765064
Energy: 0.0744030521550041
Energy: 0.014877412797060214
Energy: 0.07463890802740847
Energy: 0.07403996013923743
Energy: 0.07512171465361042
Energy: 0.07433501546187786

minimum gb energy = 0.013637428704330264 eV
minimum distance =  2.82242205443911 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 0.6939669379120746
Energy: 0.5772862950715467
Energy: 0.5971850727319287
Energy: 0.599639821803914
Energy: 0.6101594876677544
Energy: 0.6306444707118427
Energy: 0.6043334737209283
Energy: 0.5959429611870737
Energy: 0.5977239480333248
Energy: 0.5888644548983708
Energy: 0.5000220011788413
Energy: 0.6517685696667803
Energy: 0.6094920002491261
Energy: 0.5271388260122417
Energy: 0.5055519493331926
Energy: 0.4998602016458933
Energy: 0.6266161210372463
Energy: 0.6087906189855431
Energy: 0.5362559292904152
Energy: 0.5760615476687319
Energy: 0.5697420258097667
Energy: 0.6728154659811822
Energy: 0.5337389304433414
Energy: 0.5707869065684392
Energy: 0.5705578104633086
Energy: 0.5014700742141293
Energy: 0.6536117926711279
Energy: 0.5322801157112513
Energy: 0.5356019490866264
Energy: 0.5707207740103154
Energy: 0.5826342020238797
Energy: 0.5973883302019455
Energy: 0.6573469829800584
Energy: 0.5008935104587312
Energy: 0.547623812486635
Energy: 0.5353607621904252
Energy: 0.621175093146202
Energy: 0.6688249631601026
Energy: 0.5086510667357469
Energy: 0.5702324026135654
Energy: 0.6527375299510894
Energy: 0.612098948339024
Energy: 0.644286842683203
Energy: 0.5708484259874218
Energy: 0.5258953002001554
Energy: 0.6464075330697537
Energy: 0.6170977132334937
Energy: 0.6719043450400481
Energy: 0.5218739783137916
Energy: 0.5297820244756477
Energy: 0.6484265743249944
Energy: 0.6480058254901297
Energy: 0.6378127302020007
Energy: 0.5239230735526831
Energy: 0.6663185189471234
Energy: 0.6546152027885468
Energy: 0.6481720556966252
Energy: 0.6192657507288368
Energy: 0.5217946835791315
Energy: 0.6265227173234119
Energy: 0.6159162078648357
Energy: 0.6358749737178888
Energy: 0.6743833010208824
Energy: 0.5255131986322745
Energy: 0.6145607413274975
Energy: 0.6081855146326437
Energy: 0.6228076829652868
Energy: 0.6292534818805197
Energy: 0.5259198700788696
Energy: 0.6125335317534382
Energy: 0.6006394442464171
Energy: 0.5927123935250851
Energy: 0.5743759283037979
Energy: 0.6209963618013015
Energy: 0.6202242758453252
Energy: 0.6018055361720243
Energy: 0.5925698284008074
Energy: 0.6524081581198781
Energy: 0.5609220296017804
Energy: 0.617880653278482
Energy: 0.613678688334073
Energy: 0.5437202899498085
Energy: 0.5297102298510079
Energy: 0.6715468892115269
Energy: 0.6566395737090527
Energy: 0.6153713440165811
Energy: 0.5446283201727188
Energy: 0.48949174397190176
Energy: 0.66161529148618
Energy: 0.6200189780691046
Energy: 0.627191295689622
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Energy: 0.5242912906739206
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Energy: 0.6534711065813154
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Energy: 0.5056106099997028
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Energy: 0.554020796370061
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Energy: 0.6932545445757436
Energy: 0.6556370780541406
Energy: 0.5720772724338623
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Energy: 0.6296434716476713
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Energy: 0.6443387153807141
Energy: 0.5079565933680908
Energy: 0.651319356960364
Energy: 0.6221906696679306
Energy: 0.632001755827636
Energy: 0.6502343948050932
Energy: 0.49547103930809894
Energy: 0.6651165626244112
Energy: 0.6160643105481778
Energy: 0.6320991855749833
Energy: 0.6760427769936505
Energy: 0.6736679910068591
Energy: 0.6075232290653814
Energy: 0.6082444040917958
Energy: 0.6078882346608606
Energy: 0.6536597718474817
Energy: 0.6326208101534768
Energy: 0.6034885524169206
Energy: 0.6052003969912788
Energy: 0.608472496690284
Energy: 0.6398460556632829
Energy: 0.5007365804727587
Energy: 0.6735757372997642
Energy: 0.6183866003623009
Energy: 0.6175633711216629
Energy: 0.5023403781041337
Energy: 0.5634378545707878
Energy: 0.6251742031298003
Energy: 0.6178771580052859
Energy: 0.5451170237701464
Energy: 0.5051694191751734
Energy: 0.5520648936404294
Energy: 0.6381873392806207
Energy: 0.5325997122028407
Energy: 0.5708456432034296
Energy: 0.5698074399257832
Energy: 0.4966148648064522
Energy: 0.6220395179148437
Energy: 0.5325722548399896
Energy: 0.5517072409573233
Energy: 0.5698434575385107
Energy: 0.5675289600751742
Energy: 0.5392893279191318
Energy: 0.6223839097430051
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Energy: 0.5081163388438353
Energy: 0.49675874546019994
Energy: 0.5218999890087423
Energy: 0.6235414538032292
Energy: 0.5275411039949289
Energy: 0.507966607952687
Energy: 0.5508987028625285
Energy: 0.6178971905426998
Energy: 0.6474718421974066
Energy: 0.6451307632339832
Energy: 0.4984854149731191
Energy: 0.6664017739030541
Energy: 0.6017104110445431
Energy: 0.6675121733333698
Energy: 0.6449494913484131
Energy: 0.5030080273037397
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Energy: 0.6811917681308304
Energy: 0.6148609543874122
Energy: 0.5474675275836502
Energy: 0.6739976490202625
Energy: 0.641425694928129
Energy: 0.6805046218098725
Energy: 0.601911054996906
Energy: 0.590300248165185
Energy: 0.6385181890758821
Energy: 0.6100735181701396
Energy: 0.6213131121565529
Energy: 0.6640596498393286
Energy: 0.5249392045362407
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Energy: 0.6298038559922342
Energy: 0.6304749344221837
Energy: 0.643523318412339
Energy: 0.5253275458077376
Energy: 0.6615440258269493
Energy: 0.6002535102430853
Energy: 0.6088476951049001
Energy: 0.6289504789498745
Energy: 0.49973316532070505
Energy: 0.6206251342949175
Energy: 0.6007800109810366
Energy: 0.6078575954852984
Energy: 0.5472587109842978
Energy: 0.6271378704906432
Energy: 0.6239706828820036
Energy: 0.6086960108106539
Energy: 0.5414753368880628
Energy: 0.49017971655015646
Energy: 0.6675585168154232
Energy: 0.6491421671305247
Energy: 0.617586085174981
Energy: 0.5424191349220118
Energy: 0.4989378398060346
Energy: 0.6564211643077507
Energy: 0.6184688620277982
Energy: 0.5485339189595556
Energy: 0.5355143552921034
Energy: 0.5259724323758977
Energy: 0.5670983296613877
Energy: 0.6554605250811533
Energy: 0.5553476048278736
Energy: 0.5738685254531661
Energy: 0.5252993779769246
Energy: 0.5613209852014812
Energy: 0.6551394167224762
Energy: 0.6492002683126789
Energy: 0.533810080445699
Energy: 0.5313914533841031
Energy: 0.4966671671985689
Energy: 0.5880684789344852
Energy: 0.6455452354578182
Energy: 0.5304808452313311
Energy: 0.5738610860231201
Energy: 0.5222011468542263
Energy: 0.6581574776735242
Energy: 0.6767973612532802
Energy: 0.5234364421288288
Energy: 0.5289596185837602
Energy: 0.6290143718495474
Energy: 0.6189376597070292
Energy: 0.6771934581664562
Energy: 0.5064438252318653
Energy: 0.5494624919326281
Energy: 0.660956778035818
Energy: 0.6497500852346527
Energy: 0.5342885957522191
Energy: 0.5890856023190081
Energy: 0.6493187153344195
Energy: 0.68118710980234
Energy: 0.6411452680402207
Energy: 0.5710340281336062
Energy: 0.5742392324816991
Energy: 0.6081068276799328
Energy: 0.6493744701308108
Energy: 0.6560939152866295
Energy: 0.5619488222595318
Energy: 0.6451565171551421
Energy: 0.6206622263130981
Energy: 0.6553777645653168
Energy: 0.6659350569414219
Energy: 0.507991049615428
Energy: 0.6659049397615359
Energy: 0.5997127157435447
Energy: 0.6203558559072357
Energy: 0.6613800963899081
Energy: 0.6807752799455502
Energy: 0.597402193818064
Energy: 0.5945546948540631
Energy: 0.5998625144905894
Energy: 0.6568340218898167
Energy: 0.6343994389866842
Energy: 0.608159649845704
Energy: 0.5924020314229195
Energy: 0.5941314947612089
Energy: 0.6575934705758492

minimum gb energy = 0.48949174397190176 eV
minimum distance =  2.55347567410208 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.5684362815875791
Energy: 0.5492732341131354
Energy: 0.6138171477020474
Energy: 0.540721822830511
Energy: 0.6066445175184473
Energy: 0.5577840598436921
Energy: 0.5556013423541155
Energy: 0.6231272457503036
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Energy: 0.6041091658573734
Energy: 0.542329705357115
Energy: 0.5572963769022691
Energy: 0.5713540728921087
Energy: 0.5557123684331735
Energy: 0.5822714571543539
Energy: 0.5533361546073993
Energy: 0.5786226102284906
Energy: 0.5700131952259138
Energy: 0.5639839023853598
Energy: 0.6159512275605672
Energy: 0.6530266919170096
Energy: 0.5121333890341248
Energy: 0.5726851917431037
Energy: 0.5662991686867184
Energy: 0.5685656196354635
Energy: 0.6524986391782163
Energy: 0.5154569325798913
Energy: 0.5620125553444313
Energy: 0.5772015138094789
Energy: 0.5600346385247523
Energy: 0.5592373067207369
Energy: 0.5803564021433407
Energy: 0.5792176979177304
Energy: 0.58097755729942
Energy: 0.5403823764968728
Energy: 0.5770088669114477
Energy: 0.5673938223695817
Energy: 0.6079591285736698
Energy: 0.5788059137682839
Energy: 0.5728650784959995
Energy: 0.5447579262243922
Energy: 0.5606456628408898
Energy: 0.6301082682496715
Energy: 0.5433908912974099
Energy: 0.5628378196605671
Energy: 0.5527770014972464
Energy: 0.5650984327925339
Energy: 0.6387944591475424
Energy: 0.5573720173195743
Energy: 0.5437610135686249
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Energy: 0.5473112003231743
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Energy: 0.6208063660999416
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Energy: 0.6045495018909683
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Energy: 0.6539739795747075
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Energy: 0.5717274212522045
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Energy: 0.5799728668070142
Energy: 0.546964632607148
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Energy: 0.5480647646624276
Energy: 0.584578797445977
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Energy: 0.5808153961763042
Energy: 0.6104140129453707
Energy: 0.6441753936860942
Energy: 0.5922224446708977
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Energy: 0.5405483389178086
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Energy: 0.5715902325247685
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Energy: 0.5432250341773932
Energy: 0.5971691903705443
Energy: 0.6308775149595517
Energy: 0.5510194685112206
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Energy: 0.6290685419654776
Energy: 0.5848596564446804
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Energy: 0.6300123591029655
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Energy: 0.630819427128561
Energy: 0.5620250414434586
Energy: 0.6243929159643418
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Energy: 0.62126259450478
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Energy: 0.6458898572496123
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Energy: 0.5741199540484844
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Energy: 0.5500072515425767
Energy: 0.5745735901575466
Energy: 0.5645086980077291
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minimum gb energy = 0.5121333890341248 eV
minimum distance =  2.50637267089222 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.5706236983866694
Energy: 0.6193381265645174
Energy: 0.5788100480945447
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Energy: 0.575687720362308
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Energy: 0.5664774268551273
Energy: 0.5569017147959836
Energy: 0.5428327612009411
Energy: 0.5903980158941635
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Energy: 0.5662029870170624
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Energy: 0.5424103255883871
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Energy: 0.5541518655764612
Energy: 0.5582311564251542
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Energy: 0.5373945110820308
Energy: 0.561821347544337
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Energy: 0.5580642260333742
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Energy: 0.5367012494219626
Energy: 0.5604361189713517
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Energy: 0.5461983023156447
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Energy: 0.58798695664352
Energy: 0.5664004050569988
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Energy: 0.6075311679577682
Energy: 0.5590575125950221
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Energy: 0.5549785330336022
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Energy: 0.5552470791300703
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Energy: 0.5508022004751484
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Energy: 0.5509092550513572
Energy: 0.5523057548548385
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Energy: 0.5649594221305517
Energy: 0.5642859522025412
Energy: 0.5567559815975784
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Energy: 0.565471546657179
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Energy: 0.5895271419925332
Energy: 0.5659198318725559
Energy: 0.657336011429855
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Energy: 0.6078624781333877
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Energy: 0.5739503476562484
Energy: 0.546561437250048
Energy: 0.5460453504384734
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Energy: 0.5461545585660775
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Energy: 0.5318369946229077
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Energy: 0.6079576650287548
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Energy: 0.587211139004625
Energy: 0.5382913281751287
Energy: 0.5416406206237625
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Energy: 0.5691944875758934
Energy: 0.5400143812666691
Energy: 0.539054566453009
Energy: 0.5326138995028619
Energy: 0.5647466854241557
Energy: 0.5370758930623468
Energy: 0.5316184714424558
Energy: 0.5890511189200135
Energy: 0.5424833403953888
Energy: 0.5786055162328384
Energy: 0.538532552331064
Energy: 0.5315350550315945
Energy: 0.5836883031653057
Energy: 0.5428659663802861
Energy: 0.5804556935787472
Energy: 0.5315116165732453
Energy: 0.5316568974220205
Energy: 0.5328657844500019
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Energy: 0.5574897891598201
Energy: 0.532038711774731
Energy: 0.5320805279851629
Energy: 0.5405701424156565
Energy: 0.5493907268916584
Energy: 0.5653531955945663
Energy: 0.5398410236663015
Energy: 0.5313265727496533
Energy: 0.5340005634457493
Energy: 0.5374365689770478
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Energy: 0.5372436980397751
Energy: 0.6588275305055743
Energy: 0.5609189684793818
Energy: 0.5371519983541617
Energy: 0.5466552590037178
Energy: 0.529955056362744
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Energy: 0.5370634705599262
Energy: 0.5392091181457104
Energy: 0.5313720085929153
Energy: 0.569058666951526
Energy: 0.553200518851095
Energy: 0.5596096378674513
Energy: 0.5732826209804801
Energy: 0.5623885143245286
Energy: 0.5586507238114014
Energy: 0.5532521704403408
Energy: 0.5602411788135645
Energy: 0.5635808811119887
Energy: 0.5624842318424083
Energy: 0.5592200327818659
Energy: 0.5790109499812769
Energy: 0.5847141250918821
Energy: 0.5647806771715612
Energy: 0.5794353831277829
Energy: 0.5826845525351501
Energy: 0.5668653275854402
Energy: 0.5624915782757478
Energy: 0.5639240679522961
Energy: 0.5574287846620354
Energy: 0.5808908990086411
Energy: 0.5326259873557544
Energy: 0.56004306906266
Energy: 0.5530921026130821
Energy: 0.5639664880985722
Energy: 0.5399509508712026
Energy: 0.532630828275604
Energy: 0.5596712337160091
Energy: 0.552597560065778
Energy: 0.5644130294930272
Energy: 0.5395071702009062
Energy: 0.6604292965290215
Energy: 0.5498769118917148
Energy: 0.5495052537965017
Energy: 0.5771218406813794
Energy: 0.5585290272989474
Energy: 0.5639148295014951
Energy: 0.5500739241108641
Energy: 0.5494314057592684
Energy: 0.5774121776919262
Energy: 0.5583134693145567
Energy: 0.5865309611621065
Energy: 0.5713628963230329
Energy: 0.5610056165660334
Energy: 0.5498514487981814
Energy: 0.563705070587945
Energy: 0.5544822443904572
Energy: 0.5689117433304751
Energy: 0.5722351164519549
Energy: 0.5508197468867666
Energy: 0.5649750471673326
Energy: 0.5507692779927994
Energy: 0.5756999565894543
Energy: 0.6075192025433923
Energy: 0.5582096052645423
Energy: 0.5511818018764088
Energy: 0.5568238776368449
Energy: 0.5504110749481995
Energy: 0.5750625922091915
Energy: 0.6094177428405018
Energy: 0.5446537235722597
Energy: 0.6103757496331688
Energy: 0.5597111138772126
Energy: 0.5511757552420034
Energy: 0.5520106135656084
Energy: 0.5634983945464219
Energy: 0.603453976313021
Energy: 0.562634572694988
Energy: 0.5504601953634114
Energy: 0.5519987533083519
Energy: 0.5646338099966676
Energy: 0.5902513125358074
Energy: 0.5300434734280371
Energy: 0.5595427650188659
Energy: 0.563232471410191
Energy: 0.5851305257461381
Energy: 0.5895566908058479
Energy: 0.5303538440018284
Energy: 0.559531033609214
Energy: 0.5516652816341101
Energy: 0.5794875896916473
Energy: 0.5639121029978901
Energy: 0.5808756191077801
Energy: 0.5746337208054363
Energy: 0.5711196871831619
Energy: 0.5860888272876157
Energy: 0.5639638670155951
Energy: 0.5650343755423393
Energy: 0.5930579201867907
Energy: 0.5708830156525906
Energy: 0.5842967138608881
Energy: 0.5505185440423904
Energy: 0.5906156753012062
Energy: 0.5439688225255923
Energy: 0.5286733097663926
Energy: 0.5536047958618027
Energy: 0.5463567085673996
Energy: 0.5358520703916015
Energy: 0.5356221539093642
Energy: 0.5591138257899063
Energy: 0.5505202921503508
Energy: 0.5614402242672643
Energy: 0.5361967323333231
Energy: 0.551956910575947
Energy: 0.552500325429191
Energy: 0.5386637999110745
Energy: 0.5776456095007247
Energy: 0.5272762319175959
Energy: 0.5469042748358091
Energy: 0.548305698377606
Energy: 0.5535010615232043

minimum gb energy = 0.5247705502171052 eV
minimum distance =  2.54656438714121 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.6361479070556889
Energy: 0.5113140669957156
Energy: 0.5044530763874018
Energy: 0.5296537615458337
Energy: 0.5156371574912274
Energy: 0.635974632662832
Energy: 0.5111886565694139
Energy: 0.5044067165378152
Energy: 0.5297458275019209
Energy: 0.5160719415571013
Energy: 0.570676897413702
Energy: 0.524681428111478
Energy: 0.5202025403954712
Energy: 0.5112000860782072
Energy: 0.561586553227185
Energy: 0.5327105784085767
Energy: 0.5238682465113812
Energy: 0.5224570581759896
Energy: 0.511835144860554
Energy: 0.5239795185515866
Energy: 0.5108734916782797
Energy: 0.5132587359683729
Energy: 0.5635831724964777
Energy: 0.5122454208122236
Energy: 0.5449492349683659
Energy: 0.5109525610309481
Energy: 0.5114287627958072
Energy: 0.5123052194919435
Energy: 0.5119739105096897
Energy: 0.5450287288455786
Energy: 0.5162558539114227
Energy: 0.5100240364994251
Energy: 0.5307754768966865
Energy: 0.5117794711003839
Energy: 0.643568949612763
Energy: 0.6282850380723293
Energy: 0.5101938303634167
Energy: 0.5105845750798318
Energy: 0.5117654406767189
Energy: 0.6459459915285313
Energy: 0.5292455642303138
Energy: 0.5188665719601622
Energy: 0.510441396599833
Energy: 0.5184623111779348
Energy: 0.5124306915866136
Energy: 0.5123810749888282
Energy: 0.5189020802544994
Energy: 0.5104588014049911
Energy: 0.5196119167555139
Energy: 0.5117936567317657
Energy: 0.5106132527390288
Energy: 0.5919535825824034
Energy: 0.5291458036323722
Energy: 0.49853254292462496
Energy: 0.5122974902850242
Energy: 0.5096437191047435
Energy: 0.5700384557146583
Energy: 0.5561835915700839
Energy: 0.49776176412054657
Energy: 0.5120537885541169
Energy: 0.5245995645404488
Energy: 0.5258645570605871
Energy: 0.5299349571806607
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Energy: 0.5259866356203934
Energy: 0.5290597561867643
Energy: 0.5122181701543939
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Energy: 0.521734768275526
Energy: 0.5248350334369905
Energy: 0.5991587888957856
Energy: 0.5101450350712068
Energy: 0.5659515634714978
Energy: 0.5669755700233094
Energy: 0.5254057956225048
Energy: 0.4940616169088822
Energy: 0.5099677953371086
Energy: 0.5651517845595202
Energy: 0.5690389298163632
Energy: 0.49533241585307153
Energy: 0.6074440674397669
Energy: 0.5272115667723714
Energy: 0.5030850333162207
Energy: 0.5142863469354939
Energy: 0.51043114787198
Energy: 0.5314166004591364
Energy: 0.5260270720244131
Energy: 0.5201622175876837
Energy: 0.5115197609216702
Energy: 0.5139994029170565
Energy: 0.5351513226314678
Energy: 0.5289544617607109
Energy: 0.5105558381207088
Energy: 0.5112207104516714
Energy: 0.5288507815947766
Energy: 0.5270603242960717
Energy: 0.529718425063751
Energy: 0.510383879545098
Energy: 0.5112142305788033
Energy: 0.5295762362611773
Energy: 0.4956871799898607
Energy: 0.5117268480061923
Energy: 0.5120075537744897
Energy: 0.5119090050250481
Energy: 0.6394268573788798
Energy: 0.5116316059062741
Energy: 0.5109362800771692
Energy: 0.5122770273595989
Energy: 0.5234474364614962
Energy: 0.6387034107673478
Energy: 0.5147943663759962
Energy: 0.5215481297057122
Energy: 0.5118881536999559
Energy: 0.5114293496494361
Energy: 0.5250414782731851
Energy: 0.5112775416669612
Energy: 0.521439409532253
Energy: 0.5114669918110214
Energy: 0.5114143573245012
Energy: 0.5249574721419706
Energy: 0.5918179480441036
Energy: 0.5100042729274401
Energy: 0.5100455385363135
Energy: 0.5215015773705162
Energy: 0.5096469395606917
Energy: 0.5106403060664337
Energy: 0.5107715336801758
Energy: 0.5101360612637129
Energy: 0.5211415362846648
Energy: 0.5019105916191944
Energy: 0.5107995780196342
Energy: 0.5280987183700733
Energy: 0.5259294810701465
Energy: 0.49611341830505007
Energy: 0.51141838619688
Energy: 0.5132683768998477
Energy: 0.5280398140694784
Energy: 0.5243884903641829
Energy: 0.49436925077462773
Energy: 0.5117004882941956
Energy: 0.4980708139642768
Energy: 0.5132444658962821
Energy: 0.5299909082252392
Energy: 0.5223090429096175
Energy: 0.5253132155352097
Energy: 0.5381873468625727
Energy: 0.5113614370913455
Energy: 0.5295973441693246
Energy: 0.5227459855801081
Energy: 0.5263606692964191

minimum gb energy = 0.4940616169088822 eV
minimum distance =  2.62088110703484 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.010085243919491
Energy: 0.4543397799506742
Energy: 0.47283625442391436
Energy: 0.46647474083709145
Energy: 0.4537995488972461
Energy: 0.4570047282249637
Energy: 0.45385308223117715
Energy: 0.5014915174525373
Energy: 0.48185120411426857
Energy: 0.5150158400972311
Energy: 0.49499031732124854
Energy: 0.48879966571156314
Energy: 0.4670945397784483
Energy: 0.47244880701308645
Energy: 0.4592353458453064
Energy: 0.5021678562540223
Energy: 0.4611847591178643
Energy: 0.4894395876496134
Energy: 0.49794432053083765
Energy: 0.46774309949773013
Energy: 0.48811118722735175
Energy: 0.5091196082457092
Energy: 0.5256383341562624
Energy: 0.5135380049074043
Energy: 0.516126375204199
Energy: 0.46015207574241895
Energy: 0.5048467737607267
Energy: 0.5062366263533776
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Energy: 0.5131643608656078
Energy: 0.49970091891128193
Energy: 0.4888629783744213
Energy: 0.48945848768241795
Energy: 0.48794405980937816
Energy: 0.5498191397570782
Energy: 0.47449415219271196
Energy: 0.48904085827084315
Energy: 0.4858744741498994
Energy: 0.4628365824129161
Energy: 0.5675805964022118
Energy: 0.5023682801009315
Energy: 0.5164665468757517
Energy: 0.4904043864495729
Energy: 0.49237833535052195
Energy: 0.49800249193086316
Energy: 0.4963317660318744
Energy: 0.4852555910892835
Energy: 0.4952501527636075
Energy: 0.48940562636087764
Energy: 0.5345471293066848
Energy: 0.5251929890600117
Energy: 0.5248696015048557
Energy: 0.520579590228671
Energy: 0.5221397217837399
Energy: 0.47744658630038406
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Energy: 0.49646671375041845
Energy: 0.49451498519352505
Energy: 0.49242414325128075
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Energy: 0.47891243563565666
Energy: 0.5070923746102365
Energy: 0.5075871951759842
Energy: 0.49440812700063497
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Energy: 0.4795791710764581
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Energy: 0.6568030669517162
Energy: 0.49002435488200985
Energy: 0.4936684253080168
Energy: 0.4839634145175249
Energy: 0.49480432899395477
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Energy: 0.4969743415335994
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Energy: 0.4922190808937878
Energy: 0.543574147542964
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Energy: 0.4659486448203403
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Energy: 0.47770665094551434
Energy: 0.4937532581053477
Energy: 0.5173030344259645
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Energy: 0.47681009626926546
Energy: 0.49155147626991685
Energy: 0.4653369118219126
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Energy: 0.47046334013245633
Energy: 0.5116999646803797
Energy: 0.49395979922028294
Energy: 0.5011942587408762
Energy: 0.5048352233325698
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Energy: 0.4590639275356151
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Energy: 0.5360788866599586
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Energy: 0.5130928219497956
Energy: 0.4754014455094964
Energy: 0.46789437934661
Energy: 0.5241110538072872
Energy: 0.5261825301398175
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Energy: 0.4606590444061948
Energy: 0.458989118296978
Energy: 0.4843794932507851
Energy: 0.48860894385840853
Energy: 0.4887502949852599
Energy: 0.47563979353793123
Energy: 0.4605829037543954
Energy: 0.4707141473587532
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Energy: 0.4574735451440966
Energy: 0.4605017594239404
Energy: 0.46809197292849203
Energy: 0.4553428089248993
Energy: 0.4959919583373467
Energy: 0.49162260098454685
Energy: 0.5782399966812746
Energy: 0.48711010383772224
Energy: 0.4770794811970747
Energy: 0.4721737687991595
Energy: 0.4592476556957399
Energy: 0.46092084483292073
Energy: 0.4612367797650397
Energy: 0.4991969123178958
Energy: 0.5053121948818484
Energy: 0.47919170085160967
Energy: 0.47512176697193315
Energy: 0.4940325964965352
Energy: 0.5472391508041587
Energy: 0.49420658492883734
Energy: 0.5129413369977309
Energy: 0.4749790860487182
Energy: 0.5055523873779036
Energy: 0.48641275474854034
Energy: 0.4654615302174252
Energy: 0.4768754591197209
Energy: 0.47733631585676695
Energy: 0.5062041492530439
Energy: 0.4887663634549667
Energy: 0.4879003704667278
Energy: 0.4766202500695485
Energy: 0.4774985451492267
Energy: 0.5050981486964791
Energy: 0.4883966417775329
Energy: 0.48927436393269386
Energy: 0.5774662700449025
Energy: 0.5381451097497415
Energy: 0.5133290649787462
Energy: 0.48999939197147024
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Energy: 0.5365690512749045
Energy: 0.45861725317468055
Energy: 0.5142899141361249
Energy: 0.4975310436161951
Energy: 0.49183563618769005
Energy: 0.4775233549699161
Energy: 0.49713907189178064
Energy: 0.5130169995358009
Energy: 0.504077629381691
Energy: 0.47485816877945164
Energy: 0.4773704070848486
Energy: 0.4911859711770409
Energy: 0.5125471390519696
Energy: 0.4995039492765006
Energy: 0.49180622084178566
Energy: 0.47163407316979616
Energy: 0.4985859681186127
Energy: 0.4920159741001024
Energy: 0.49635256727355553
Energy: 0.49314901809012346
Energy: 0.5194866892604156
Energy: 0.5001398216221662
Energy: 0.49417019501654347
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Energy: 0.49907927203290053
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Energy: 0.49039831834234515
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Energy: 0.4909584225926434
Energy: 0.5048272416448084
Energy: 0.47783298412471453
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Energy: 0.49402865046868844
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Energy: 0.48117615232631367
Energy: 0.476905180256936
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Energy: 0.47525364079173543
Energy: 0.48739638110174166
Energy: 0.4846281024425761
Energy: 0.47718758459467703
Energy: 0.47365092386661084
Energy: 0.4722367706540901
Energy: 0.47835034406360877
Energy: 0.48743097603330804
Energy: 0.5102188024357651
Energy: 0.47378752008243685
Energy: 0.47326020579753225
Energy: 0.47758149927237525
Energy: 0.48596396219295407
Energy: 0.508739128592379
Energy: 0.49716524609022344
Energy: 0.5494105691606845
Energy: 0.4997301357198713
Energy: 0.4553367600118203
Energy: 0.4542646701792322
Energy: 0.4634481260391369
Energy: 0.48562562692565464
Energy: 0.47977874874645454
Energy: 0.4543233812701707
Energy: 0.455901491684458
Energy: 0.6323977266726355
Energy: 0.49028111789188267
Energy: 0.5264068027866432
Energy: 0.5266686523554673
Energy: 0.4620550237331038
Energy: 0.4977936637267066
Energy: 0.45768278398664547
Energy: 0.5021773869441024
Energy: 0.507341894289246
Energy: 0.47573938015709305

minimum gb energy = 0.4537995488972461 eV
minimum distance =  2.60957292375426 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.24443867492780852
Energy: 0.3059679438874371
Energy: 0.29395705773139136
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Energy: 0.2743319568627839
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Energy: 0.31203734548662315
Energy: 0.2984174962436226
Energy: 0.29474160735566796
Energy: 0.29587616964679864
Energy: 0.24355464241152705
Energy: 0.3797362535058076
Energy: 0.34825061864052437
Energy: 0.2949341207359268
Energy: 0.2924831830867032
Energy: 0.3018713567722816
Energy: 0.27045591048604956
Energy: 0.2630208376111664
Energy: 0.3663748341281987
Energy: 0.295094963693314
Energy: 0.29879006755041126
Energy: 0.2926536638943874
Energy: 0.24871280477235855
Energy: 0.2551633815029406
Energy: 0.2546519943810295
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Energy: 0.287315621818269
Energy: 0.24503547567342537
Energy: 0.37620123532820554
Energy: 0.28719661149371534
Energy: 0.3182247697254493
Energy: 0.31964600850659847
Energy: 0.248023472972961
Energy: 0.22529794685790477
Energy: 0.2487926785691807
Energy: 0.2489661132716406
Energy: 0.25602427500528585
Energy: 0.37454208236267855

minimum gb energy = 0.22529794685790477 eV
minimum distance =  2.63935991961649 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.8243339800192453
Energy: 0.4238889663665986
Energy: 0.43736322519014
Energy: 0.42416433545861154
Energy: 0.41667884479745326
Energy: 0.417624160275539
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Energy: 0.44288307666918414
Energy: 0.43186311435593383
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Energy: 0.44393899343521515
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Energy: 0.4996289900213377
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Energy: 0.4529991587980619
Energy: 0.42429830675149227
Energy: 0.41542087340185857
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Energy: 0.42406680720906476
Energy: 0.45218182559622044
Energy: 0.47867570314841595

minimum gb energy = 0.414750893931574 eV
minimum distance =  2.60151147406465 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.7564998076868833
Energy: 0.5227657716677409
Energy: 0.5406977233831094
Energy: 0.5159843123484248
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Energy: 0.5242704972289838
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Energy: 0.5267433114891961
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Energy: 0.522685858968133
Energy: 0.5268154721233805
Energy: 0.5406524508766999
Energy: 0.529586627749145
Energy: 0.5223401037690083
Energy: 0.5252057396273861
Energy: 0.5268000833003601
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Energy: 0.5283223179558091
Energy: 0.5237982040912603
Energy: 0.5095782699848049
Energy: 0.5230043314897799
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Energy: 0.5349130344311481
Energy: 0.5217256661824533
Energy: 0.5098011215217605
Energy: 0.5230595590452074
Energy: 0.5161352408433986
Energy: 0.5354232729710235
Energy: 0.5215242820656274

minimum gb energy = 0.4976765028788823 eV
minimum distance =  2.61096535165529 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.8990850427439078
Energy: 0.603908063913985
Energy: 0.6430476694055323
Energy: 0.5977322440328628
Energy: 0.6289927631671717
Energy: 0.7467934349494046
Energy: 0.596754359222987
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Energy: 0.5944897070413327
Energy: 0.6149719113103791
Energy: 0.633581410509805
Energy: 0.6223512590534329
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Energy: 0.6217094028297167
Energy: 0.5946750253068518
Energy: 0.6069841948470057
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Energy: 0.6012155290350809
Energy: 0.5986773464419506
Energy: 0.6056506537844744
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minimum gb energy = 0.5718800043863208 eV
minimum distance =  2.57206531769241 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.595750723604344
Energy: 0.5973455877995993
Energy: 0.6066423522271066
Energy: 0.6111500285632858
Energy: 0.6075559990105028
Energy: 0.6083870456202716
Energy: 0.6141747286932059
Energy: 0.6252384106226964
Energy: 0.5868726702597595
Energy: 0.6556837193399853
Energy: 0.6058406218448564
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Energy: 0.5885845851444641
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Energy: 0.5891655438493427
Energy: 0.6049602142172921
Energy: 0.6231015515759619
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Energy: 0.6718823679108038
Energy: 0.5869047650772685
Energy: 0.6045971705670155
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Energy: 0.6095156076111357
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Energy: 0.6000340498420276
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Energy: 0.5605330576706885
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Energy: 0.5874279131446621
Energy: 0.6173817810371262
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Energy: 0.5870856542241238
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Energy: 0.6033538389527314
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Energy: 0.5941354383550608
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Energy: 0.5797720231558915
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Energy: 0.5989836898564352
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Energy: 0.6053767783345605
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Energy: 0.6214830159715908
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Energy: 0.6171581444350954
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Energy: 0.5832863617392063
Energy: 0.6745485519212927
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Energy: 0.6298134316857744
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Energy: 0.6026839179498912
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Energy: 0.7264581140505939
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Energy: 0.7271617611602316
Energy: 0.5674137140420991
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Energy: 0.6165976414235844
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Energy: 0.5946025711940717
Energy: 0.6002372661928832
Energy: 0.5954415022592016
Energy: 0.5950969677050295
Energy: 0.6692467417922123
Energy: 0.600844420527484
Energy: 0.5919860497069858
Energy: 0.577981402696047
Energy: 0.6066441573950164
Energy: 0.624014069267183
Energy: 0.6126439397001738
Energy: 0.5661549846271792
Energy: 0.5969928137888927
Energy: 0.6054701613474465
Energy: 0.6377506225560453
Energy: 0.5842454998879846
Energy: 0.7124330982608681
Energy: 0.61695912764142
Energy: 0.6000025505195119
Energy: 0.6041387904761568
Energy: 0.5958034962038115
Energy: 0.6114444018266945
Energy: 0.5786218027479338
Energy: 0.5994387630878918
Energy: 0.6031057836831187
Energy: 0.5947469267559671
Energy: 0.5664980943855946
Energy: 0.5794005543394538
Energy: 0.5786833817423715
Energy: 0.602041573105284
Energy: 0.659054160793607
Energy: 0.6223860037844382
Energy: 0.5791832417039373
Energy: 0.5779833740101866
Energy: 0.6016996614915431
Energy: 0.6320541181911952
Energy: 0.5898823830023112
Energy: 0.6061102010171752
Energy: 0.6140988331791147
Energy: 0.6190090409712433
Energy: 0.6000723914406535
Energy: 0.5987064359129799
Energy: 0.6041519580493624
Energy: 0.6128526846818132
Energy: 0.6246529396495335
Energy: 0.5984297011771047
Energy: 0.5973050990263622
Energy: 0.5881939035327217
Energy: 0.5958097249025189
Energy: 0.587394749810268
Energy: 0.598454599956055
Energy: 0.6515547678778065
Energy: 0.5933981134666169
Energy: 0.5984112388891047
Energy: 0.5812228240251007
Energy: 0.5956498713162489
Energy: 0.6133727494285804
Energy: 0.6212047359106923
Energy: 0.6030515797234969
Energy: 0.6227060153669296
Energy: 0.5877757683282547
Energy: 0.6558410054861308
Energy: 0.602393486197995
Energy: 0.5945177595717739
Energy: 0.6127507828428734
Energy: 0.5840999965421148
Energy: 0.6632192149920795
Energy: 0.5660124015241459
Energy: 0.6093182651165006
Energy: 0.5840098739535788
Energy: 0.5817022801014233
Energy: 0.6002780257295157
Energy: 0.5792880350901951
Energy: 0.571203660855864
Energy: 0.6672567768694093
Energy: 0.5824154836978884
Energy: 0.5962948103726475

minimum gb energy = 0.5588269737780378 eV
minimum distance =  2.55496509810342 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.5310471922535724
Energy: 0.5554687085739863
Energy: 0.6078633511312098
Energy: 0.6173021608823669
Energy: 0.5348840106361419
Energy: 0.5316440447535723
Energy: 0.5575921127738835
Energy: 0.6019518436251292
Energy: 0.5935806478878095
Energy: 0.5343537972383157
Energy: 0.5827142021112149
Energy: 0.5439299037871402
Energy: 0.5419377614112341
Energy: 0.5550113628414579
Energy: 0.5615744507386479
Energy: 0.5812100272368764
Energy: 0.5461193739659255
Energy: 0.5561203934014847
Energy: 0.5519257514730161
Energy: 0.5951753633581742
Energy: 0.5530420619589628
Energy: 0.553857529325883
Energy: 0.5479003133823802
Energy: 0.6096617722605369
Energy: 0.5790996045972051
Energy: 0.5546080334894699
Energy: 0.5514998029514628
Energy: 0.5457239011193786
Energy: 0.605438145150708
Energy: 0.6095106521126861
Energy: 0.6033580936394736
Energy: 0.5332574050364748
Energy: 0.5336807527305044
Energy: 0.5572378285970551
Energy: 0.5438913254192388
Energy: 0.6034102983278714
Energy: 0.5325309566984707
Energy: 0.5345518169719258
Energy: 0.554848467161375
Energy: 0.5369148081892994
Energy: 0.5498913026767327
Energy: 0.5328802149745248
Energy: 0.5320964223106339
Energy: 0.5446673431286247
Energy: 0.5581252246606063
Energy: 0.5553912635188074
Energy: 0.5327129022818852
Energy: 0.5321848480648715
Energy: 0.5456707774059837
Energy: 0.5602703439855967
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Energy: 0.6068446388751574
Energy: 0.5939592734682207
Energy: 0.5516840751477927
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Energy: 0.5530266024620559
Energy: 0.6033929955534656
Energy: 0.5940547474408315
Energy: 0.5558082902257262
Energy: 0.5549666804850772
Energy: 0.6059940732523802
Energy: 0.5364701567796045
Energy: 0.5483309174538652
Energy: 0.5482484883267293
Energy: 0.5535778245542168
Energy: 0.5546770990032232
Energy: 0.5358181871375879
Energy: 0.547115801676336
Energy: 0.5425507583232039
Energy: 0.5436039901076541
Energy: 0.5486795117426011
Energy: 0.608153030222186
Energy: 0.5542848355977478
Energy: 0.5314934685946267
Energy: 0.5321441345147556
Energy: 0.5945562436260042
Energy: 0.6483777085616965
Energy: 0.5522121117799572
Energy: 0.531389788975097
Energy: 0.5323613119028466
Energy: 0.5430390689521826
Energy: 0.5566202680351094
Energy: 0.5538028797268875
Energy: 0.5330677205980865
Energy: 0.5796688391142757
Energy: 0.5420957481397191
Energy: 0.5611785036954143
Energy: 0.5560376358100911
Energy: 0.5328096411910821
Energy: 0.5437973774759323
Energy: 0.5561141330873175
Energy: 0.5490438665131904
Energy: 0.6495925298880201
Energy: 0.6001107841647421
Energy: 0.6211954325567635
Energy: 0.5530606061025002
Energy: 0.5516655134811979
Energy: 0.6477608849704646
Energy: 0.5637652152205666
Energy: 0.6186307055163862
Energy: 0.5340688488223856
Energy: 0.5632969444475627
Energy: 0.5934442928639051
Energy: 0.595886882325819
Energy: 0.5523872463104544
Energy: 0.5338397891480587
Energy: 0.5486896850391954
Energy: 0.5355185313874046
Energy: 0.5969750441347245
Energy: 0.5512581883131564
Energy: 0.531190777931525
Energy: 0.555059227969141
Energy: 0.6028354039760133
Energy: 0.617275411628679
Energy: 0.5347503633045445
Energy: 0.5319007037491835
Energy: 0.5575103814061043
Energy: 0.6018282451236324
Energy: 0.5949895913708325
Energy: 0.5341756970558373
Energy: 0.5828228496308765
Energy: 0.5440867738191473
Energy: 0.5419336818049497
Energy: 0.5556529771772611
Energy: 0.5960344408034058
Energy: 0.5807186698053951
Energy: 0.5460157558065999
Energy: 0.55628626206589
Energy: 0.5533352058171941
Energy: 0.5946830773453906
Energy: 0.5573420200789421
Energy: 0.5550443605826508
Energy: 0.5482306941657148
Energy: 0.6024277964946475
Energy: 0.5791183153796985
Energy: 0.5540524654385421
Energy: 0.5529341798375504
Energy: 0.5455913963165829
Energy: 0.6030189300639972
Energy: 0.6076641286313549
Energy: 0.6055151784256099
Energy: 0.5329640186214254
Energy: 0.5334046957018956
Energy: 0.5549079107868143
Energy: 0.5446970334133899
Energy: 0.6048283916105841
Energy: 0.5322125461679202
Energy: 0.5341861348552913
Energy: 0.5551265912978715
Energy: 0.5809256043127627
Energy: 0.546294007436544
Energy: 0.5328607647209218
Energy: 0.5316936047262875
Energy: 0.5499664774419881
Energy: 0.5577949092040033
Energy: 0.5517954221889436
Energy: 0.5332155043014271
Energy: 0.5319250493060028
Energy: 0.5440025904315502
Energy: 0.5594843507392284
Energy: 0.5579051875016747
Energy: 0.6052934678272945
Energy: 0.5943145539514463
Energy: 0.5511080132651368
Energy: 0.5554058292380503
Energy: 0.553488061511515
Energy: 0.6035560494033382
Energy: 0.594523156955506
Energy: 0.5554766935345352
Energy: 0.5548619257199588
Energy: 0.5999663477237558
Energy: 0.5363928357466385
Energy: 0.5476404813023051
Energy: 0.5426545871522838
Energy: 0.5447959102070672
Energy: 0.6010540429147504
Energy: 0.5358011721395375
Energy: 0.5465776726871164
Energy: 0.5425960157810638
Energy: 0.6060729600247631
Energy: 0.547813028975522
Energy: 0.6082721196184792
Energy: 0.554655391481383
Energy: 0.5315413185183308
Energy: 0.532566598966646
Energy: 0.5944692202101975
Energy: 0.6486936058462549
Energy: 0.5531589736300626
Energy: 0.5312626753041668
Energy: 0.5328474250004135
Energy: 0.5436685601781877
Energy: 0.5564993996141132
Energy: 0.5566892078549188
Energy: 0.5331168065690343
Energy: 0.5945600631883308
Energy: 0.5424681825370319
Energy: 0.5609227774730859
Energy: 0.5573404298191906
Energy: 0.5329844285389069
Energy: 0.5439499874701809
Energy: 0.5505453633169837
Energy: 0.5482887100942786
Energy: 0.648664932129028
Energy: 0.598015910657762
Energy: 0.6217954826166978
Energy: 0.5522005145042231
Energy: 0.550624462395832
Energy: 0.6481875982455799
Energy: 0.5495914369888486
Energy: 0.618929152426994
Energy: 0.5331569432408813
Energy: 0.5416292481127479
Energy: 0.5933171462337712
Energy: 0.6043180980597107
Energy: 0.5465575345748382
Energy: 0.5335560742891864
Energy: 0.5421405486160229
Energy: 0.5355229261898259
Energy: 0.6052335984718212
Energy: 0.5427363425807854

minimum gb energy = 0.5310471922535724 eV
minimum distance =  2.59489479208728 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.0053702845737231
Energy: 0.6447286446644666
Energy: 0.6241725872292789
Energy: 0.6051681220080457
Energy: 0.5965921428551002
Energy: 0.5655411349501828
Energy: 0.6122541119031113
Energy: 0.6211687747899489
Energy: 0.6054733358371117
Energy: 0.6038331802669107
Energy: 0.5825175330470679
Energy: 0.6294830135584312
Energy: 0.6078758679845613
Energy: 0.6101018128209792
Energy: 0.6247251261070077
Energy: 0.615458128761334
Energy: 0.6183379848137581
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Energy: 0.6436744739495189
Energy: 0.6044133363329036
Energy: 0.6481808997619483
Energy: 0.605430967018279
Energy: 0.6035205840564444
Energy: 0.6109055234676695
Energy: 0.6462382970757463
Energy: 0.6509996191356069
Energy: 0.5963045197025155
Energy: 0.6065020419369767
Energy: 0.6074300171946988
Energy: 0.6379031939414438
Energy: 0.6086891082136703
Energy: 0.57539558586828
Energy: 0.6539397632345971
Energy: 0.6463722428966306
Energy: 0.6457734390045974
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Energy: 0.6010976388887367
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Energy: 0.6389104700902762
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Energy: 0.6452562247906745
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Energy: 0.5792170863994132
Energy: 0.633922909060692
Energy: 0.6699244974682239
Energy: 0.6097416120504955
Energy: 0.6213476093275795
Energy: 0.5781175756774535
Energy: 0.6518525076267567
Energy: 0.6556363025272613
Energy: 0.5701996948220973
Energy: 0.5789778346752974
Energy: 0.6654550911905155
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Energy: 0.5708957801558078
Energy: 0.5712103566965048
Energy: 0.6669347097087711
Energy: 0.6664311368314039
Energy: 0.577304212992747
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Energy: 0.5848861712219581
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Energy: 0.5807267034020318
Energy: 0.645941945901173
Energy: 0.6277789849788166
Energy: 0.5717141291586916
Energy: 0.5724468088134819
Energy: 0.57550960214828
Energy: 0.6330378018347512
Energy: 0.6094127454490784
Energy: 0.5719813113098635
Energy: 0.5703703277124063
Energy: 0.585463541136784
Energy: 0.6678575841313397
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Energy: 0.5734989781003305
Energy: 0.6624373830963232
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Energy: 0.6014767906848315
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Energy: 0.6636181829539138
Energy: 0.6215554663178438
Energy: 0.6738305962418524
Energy: 0.5884343058543606
Energy: 0.6367361928425977
Energy: 0.6010868400440784
Energy: 0.5720734624815466
Energy: 0.5782684753176123
Energy: 0.5830556349170883
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Energy: 0.585306058252322
Energy: 0.6179956924394255
Energy: 0.6016577817449944
Energy: 0.5898486505731082
Energy: 0.583009062425099
Energy: 0.5823216698235099
Energy: 0.6146043188454593
Energy: 0.6164587818962338
Energy: 0.5875650010855517
Energy: 0.5843640410662256
Energy: 0.582664336761639
Energy: 0.6574259885117613
Energy: 0.6006392526212824
Energy: 0.5879068018927335
Energy: 0.5605657733210805
Energy: 0.6034358482685851
Energy: 0.6581483702967889
Energy: 0.6004525558219376
Energy: 0.586939819185649
Energy: 0.5541570332534206
Energy: 0.6013226453226488
Energy: 0.5776306908666994
Energy: 0.6007490933982649
Energy: 0.6179777451576034
Energy: 0.6017125771954598
Energy: 0.5984171128928126
Energy: 0.6371868522819764
Energy: 0.5860625572966836
Energy: 0.5840740122407241
Energy: 0.591400865501778
Energy: 0.595229706523308
Energy: 0.5985935139645123
Energy: 0.6204353283910489
Energy: 0.6269141371323567
Energy: 0.6466413628446692
Energy: 0.5954737370565722
Energy: 0.5990096703640937
Energy: 0.5904628090708766
Energy: 0.5523188787413293
Energy: 0.634524579368125
Energy: 0.589010721409998
Energy: 0.5850329498743253
Energy: 0.6052480315210682
Energy: 0.6499884170448544
Energy: 0.6287056186216124
Energy: 0.5987391408740839
Energy: 0.5928879408921375
Energy: 0.6104266626593043
Energy: 0.6513512752724735
Energy: 0.6297774485357138
Energy: 0.6162452519515533
Energy: 0.6880479658053339
Energy: 0.6498137687163963
Energy: 0.64810637605224
Energy: 0.6479454129584132
Energy: 0.5917605637230166
Energy: 0.6793212901557978
Energy: 0.6538515887474523
Energy: 0.6498476771936779
Energy: 0.6515361652514408
Energy: 0.5559391580313985
Energy: 0.601042407180335
Energy: 0.6557289838500782
Energy: 0.6934705531223213
Energy: 0.6850789877555513
Energy: 0.6038647923749826
Energy: 0.6004087082124322
Energy: 0.6446654467110978
Energy: 0.6750313695372574
Energy: 0.6851168780955745
Energy: 0.6040661017417753
Energy: 0.5927724953441853
Energy: 0.664831294328982
Energy: 0.6770870890943903
Energy: 0.5720510178463598
Energy: 0.5822342006980031
Energy: 0.6366523331675003
Energy: 0.6647546841382554
Energy: 0.6777171867421733
Energy: 0.5723197923322471
Energy: 0.5840239684865628
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Energy: 0.6733186335180658
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Energy: 0.5882732154969539
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Energy: 0.6689942302940696
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Energy: 0.5753560595303097
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Energy: 0.6746945468665869
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Energy: 0.5730598441418898
Energy: 0.5826881518150561
Energy: 0.6169667941711822
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Energy: 0.585437391087692
Energy: 0.6597191878149428
Energy: 0.5911087382338086
Energy: 0.5835519546275373
Energy: 0.5839895833534651
Energy: 0.5871312277897689
Energy: 0.6715100807779807
Energy: 0.5722917728332726
Energy: 0.5781000314560991
Energy: 0.5830482622599853
Energy: 0.5882686651731652
Energy: 0.6078920100963656
Energy: 0.5889765721914251
Energy: 0.5806222799500554
Energy: 0.5826182683662593
Energy: 0.6153845786235094
Energy: 0.603844246277002
Energy: 0.5894572785886427
Energy: 0.5778047754084052
Energy: 0.582644916374573
Energy: 0.6575361493986412
Energy: 0.6018101010641849
Energy: 0.5864383098432233
Energy: 0.5540961025156363
Energy: 0.619665965238849
Energy: 0.6579805079644843
Energy: 0.6074890670526476
Energy: 0.5946199026602816
Energy: 0.5599416061898745
Energy: 0.6196123327655442
Energy: 0.6154140361158098
Energy: 0.6237749790390009
Energy: 0.6361346838761014
Energy: 0.579678061075001
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Energy: 0.6226304643091994
Energy: 0.6028377758761411
Energy: 0.6385819247888955
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Energy: 0.613052809104639
Energy: 0.5970265797620502
Energy: 0.5908941555309597
Energy: 0.6453894866188438
Energy: 0.6190351036794343
Energy: 0.5951722007304174
Energy: 0.6028465609726381
Energy: 0.6159717888638815
Energy: 0.5961612621215026
Energy: 0.6245558095218834
Energy: 0.5939769443938208
Energy: 0.5846172119206061
Energy: 0.6116029139352144
Energy: 0.64997070424377
Energy: 0.6249608519512134
Energy: 0.6212546733759342
Energy: 0.5840764568738747
Energy: 0.6114017118933078
Energy: 0.6486957000519415
Energy: 0.6329738872185351
Energy: 0.5960148024104517
Energy: 0.6597029097042346
Energy: 0.6492192987579598
Energy: 0.6509660997241006
Energy: 0.6532654891818361
Energy: 0.5997297995774952
Energy: 0.6774121171859386
Energy: 0.6476998804950435
Energy: 0.6471957925392438
Energy: 0.6545012411286149
Energy: 0.5859752187183803
Energy: 0.6619341106421288
Energy: 0.6319220023815564
Energy: 0.6513410911920599
Energy: 0.6628829879252637
Energy: 0.6018986058639858
Energy: 0.6736098363122294
Energy: 0.6412481314202334
Energy: 0.656743655400985
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Energy: 0.6013187423350668
Energy: 0.6349778768474733
Energy: 0.6737849229462489
Energy: 0.6659114775282706
Energy: 0.6538664701268638
Energy: 0.5805755138542423
Energy: 0.6728930644515303
Energy: 0.6735064680621965
Energy: 0.6664867320941613
Energy: 0.628330156852913
Energy: 0.5770527304321157
Energy: 0.5752857560394119
Energy: 0.6501084716553321
Energy: 0.5778279143410655
Energy: 0.5705078900415887
Energy: 0.5748660050874895
Energy: 0.5854725777696721
Energy: 0.6656672051044605
Energy: 0.5776389633909512
Energy: 0.5691766935464304
Energy: 0.5812983576572485
Energy: 0.5904853944936236
Energy: 0.6077416635716281
Energy: 0.6312969029763754
Energy: 0.5711685122991761
Energy: 0.5754857070400571
Energy: 0.6027806163941141
Energy: 0.6044273924234277
Energy: 0.5940243640344742
Energy: 0.5720739157111663
Energy: 0.5751925977850808
Energy: 0.6255427774741015
Energy: 0.5882719292807899
Energy: 0.5780884285801603
Energy: 0.6309953878193953
Energy: 0.6305390695125545
Energy: 0.6231358469960251
Energy: 0.5838465058689088
Energy: 0.5749923878979047
Energy: 0.6339533496359172
Energy: 0.6281583028766148
Energy: 0.5711315604970282
Energy: 0.5675635497764863
Energy: 0.6016362072686485
Energy: 0.662813356796897
Energy: 0.6207478307619255
Energy: 0.5773226955729418
Energy: 0.5771723210968688
Energy: 0.6244603233379977
Energy: 0.6630630913123403
Energy: 0.6093819998548378
Energy: 0.5816468773628037
Energy: 0.5717793612541913
Energy: 0.5698329675624624
Energy: 0.6435613758741782
Energy: 0.5878587219211592
Energy: 0.5796190827335392
Energy: 0.579365851310545
Energy: 0.5771055601410121
Energy: 0.6065945300709039
Energy: 0.5909329766896134
Energy: 0.5791507388040794
Energy: 0.5783363340424853
Energy: 0.6663992823217315
Energy: 0.6613689969409469
Energy: 0.5909313036652689
Energy: 0.5822276671968524
Energy: 0.6169566883620696
Energy: 0.6649712057944316
Energy: 0.6114566431702754
Energy: 0.590056971940041
Energy: 0.6001191482281956
Energy: 0.6449511033436524
Energy: 0.6080170051207471
Energy: 0.5793561972259892
Energy: 0.5521743591391316
Energy: 0.595766021713866
Energy: 0.6095939667085184
Energy: 0.6040973769539646
Energy: 0.641803782479239
Energy: 0.5563180163152247

minimum gb energy = 0.5521743591391316 eV
minimum distance =  2.55238863160581 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.7458825016111065
Energy: 0.5782763050519215
Energy: 0.6475257015635426
Energy: 0.6678523322531438
Energy: 0.5548088360691836
Energy: 0.7462023830556527
Energy: 0.5763078294981371
Energy: 0.6462573808133196
Energy: 0.601059697357665
Energy: 0.6461335319663888
Energy: 0.5933505520852732
Energy: 0.6534810411785319
Energy: 0.6335280547102784
Energy: 0.6328631170701603
Energy: 0.6142697854684304
Energy: 0.6024576105196475
Energy: 0.6007887812828958
Energy: 0.6330314320849371
Energy: 0.6003724255964541
Energy: 0.6058785510234919
Energy: 0.5954050372055392
Energy: 0.6113555578956781
Energy: 0.6014733033939975
Energy: 0.5605041826911551
Energy: 0.5901664161804901
Energy: 0.596402832811336
Energy: 0.6056844951514653
Energy: 0.6012078060401232
Energy: 0.5583593781088962
Energy: 0.5894038044919512
Energy: 0.557500999820359
Energy: 0.5587627373463584
Energy: 0.600506975149204
Energy: 0.5894757690291221
Energy: 0.5862329909815455
Energy: 0.5582301293898622
Energy: 0.5593308696622585
Energy: 0.6021424792534052
Energy: 0.5891417338304209
Energy: 0.5850443657928982
Energy: 0.5895824751535232
Energy: 0.6016037745705546
Energy: 0.5557921548435727
Energy: 0.557636602728098
Energy: 0.5870455182934864
Energy: 0.5790208130810118
Energy: 0.6021591396212836
Energy: 0.5603454843337387
Energy: 0.5772041711086054
Energy: 0.5659534551389512
Energy: 0.5580804927113064
Energy: 0.5582317274933846
Energy: 0.5905131124531323
Energy: 0.6111326924823546
Energy: 0.563841768500277
Energy: 0.5587042980609845
Energy: 0.5582677650169048
Energy: 0.5897594332259429
Energy: 0.6103806129697744
Energy: 0.7452849129675795
Energy: 0.6065115865746963
Energy: 0.5947446171270069
Energy: 0.5904175377134891
Energy: 0.595731939278247
Energy: 0.5998298657624391
Energy: 0.5943156718267821
Energy: 0.5954394154704792
Energy: 0.5931532019676723
Energy: 0.5616891788112117
Energy: 0.6542242332040377
Energy: 0.6053150638405616
Energy: 0.5946514272011986
Energy: 0.5570331219629299
Energy: 0.6950763172314868
Energy: 0.5999186318982886
Energy: 0.6052836190629471
Energy: 0.5899466746823675
Energy: 0.5570513291682279
Energy: 0.6922518625154953
Energy: 0.5998822254261421
Energy: 0.5570459252347406
Energy: 0.5997711270634103
Energy: 0.5492447537914449
Energy: 0.6034239967898694
Energy: 0.5580819129524849
Energy: 0.5563642665408863
Energy: 0.6002115190523476
Energy: 0.6201734204127908
Energy: 0.6024452580115356
Energy: 0.5570202711808135
Energy: 0.5754595994565832
Energy: 0.6040796938162354
Energy: 0.5569157487983469
Energy: 0.5534688164562666
Energy: 0.6116252501906732
Energy: 0.588471117682422
Energy: 0.561062775593568
Energy: 0.5656047176027866
Energy: 0.6031173272695944
Energy: 0.6115938747156542
Energy: 0.548096269768023
Energy: 0.5480208360636308
Energy: 0.6616974838647006
Energy: 0.5640528805193824
Energy: 0.5524733620397415
Energy: 0.5478769246731267
Energy: 0.5484269469578934
Energy: 0.662670247030591
Energy: 0.5644163377432508
Energy: 0.5597090233972827
Energy: 0.5501112872188095
Energy: 0.5512009540160454
Energy: 0.5595228157141745
Energy: 0.6019721149365885
Energy: 0.5579213427092948
Energy: 0.5496912980185972
Energy: 0.5534048464905676
Energy: 0.5601125753501834
Energy: 0.5824141493289545
Energy: 0.5556484359237188
Energy: 0.5476764354419899
Energy: 0.5566961632426943
Energy: 0.5994177594862815
Energy: 0.5989564509602409
Energy: 0.6167167357669253
Energy: 0.5474470679876354
Energy: 0.5569741882732573
Energy: 0.5985595990796705
Energy: 0.5982238104383516
Energy: 0.5511907435553797
Energy: 0.6286641516012742
Energy: 0.5601872174226336
Energy: 0.602551658301991
Energy: 0.5708038976611816
Energy: 0.555885127734904
Energy: 0.6283007640852173
Energy: 0.5601196305755718
Energy: 0.6267244711007051
Energy: 0.5697861305835196
Energy: 0.5578916468392102

minimum gb energy = 0.5474470679876354 eV
minimum distance =  2.65760663886779 Angstroms
sigma value = 33