Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.935544818639755
cohesive_energy=2.035270138495227
mass=207.2
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=[7.448198736139199e-20, 1.097329174449966e-19, 1.3821032537303938e-19, 1.62391817092338e-19, 1.8343800935656199e-19, 2.0198640824837997e-19, 2.18471203635606e-19, 2.3318879819553e-19, 2.4635869012701e-19, 2.58163527566322e-19, 2.6873148464418595e-19, 2.78166702841812e-19, 2.8655890405070396e-19, 2.9398979927919597e-19, 3.00521873416014e-19, 3.0620639611344596e-19, 3.1109463702378e-19, 3.1522665056286595e-19, 3.18647297676456e-19, 3.21383815367328e-19, 3.23468247168162e-19, 3.2492622790510204e-19, 3.25781790227658e-19, 3.26060568961974e-19, 3.2575455322487996e-19, 3.2475639718189796e-19, 3.2293312017240597e-19, 3.2011969800310195e-19, 3.1612226730127197e-19, 3.1071972769142397e-19, 3.0360766561309797e-19, 2.94428795676912e-19, 2.8274091713188196e-19, 2.68000892099082e-19, 2.49521386802526e-19, 2.26437225859854e-19, 1.9766373568984797e-19, 1.6177497908824797e-19, 1.169345411971632e-19, 6.072521812887779e-20, -1.006372004761152e-20, -9.97744283587062e-20, -2.1438084668900398e-19, -3.6223291082779195e-19, -5.552727647519159e-19, -8.11026618660702e-19, -1.155887128246032e-18, -1.63106387871102e-18, -2.30341730316912e-18, -3.2870095605480596e-18, -4.78864961076456e-18, -7.21394449048206e-18, -1.1445869764464298e-17, -1.97110984751118e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.004764030241227772
Energy: 0.005365141072372041
Energy: 0.06216891033811219
Energy: 0.06189001167375214
Energy: 0.006588879119100235
Energy: 0.005368402524569892
Energy: 0.06166423041525793
Energy: 0.06266252313879088
Energy: 0.06153632285462051
Energy: 0.006431486802980525
Energy: 0.004912399146261452
Energy: 0.06079419902426143
Energy: 0.06192084249359421
Energy: 0.06246713141429049
Energy: 0.062250546705080845
Energy: 0.06098530996786874
Energy: 0.0609214764119713
Energy: 0.060811065017963205
Energy: 0.06282483463271249
Energy: 0.06178738186989705
Energy: 0.06216004059921979
Energy: 0.005035308303149721
Energy: 0.00497603411425055
Energy: 0.06109709529202647
Energy: 0.06181411388191497
Energy: 0.06196738849437349
Energy: 0.004982461325605136
Energy: 0.004923203681796718
Energy: 0.06096353170711494
Energy: 0.06226520278668987
Energy: 0.06178368398609437
Energy: 0.005328441446928306
Energy: 0.005402980982531115
Energy: 0.06079821156642171
Energy: 0.061029130532323166
Energy: 0.062129931188577875
Energy: 0.005568454746351559
Energy: 0.005065513966875403
Energy: 0.06079208552297345
Energy: 0.06086583203707615
Energy: 0.06152460366587968
Energy: 0.06145548153053291
Energy: 0.062484204828515064
Energy: 0.005750840938770147
Energy: 0.0053296666971975075
Energy: 0.061233057125760826
Energy: 0.06185050122081736
Energy: 0.06239151229002742
Energy: 0.0049913225529472855
Energy: 0.06097298417381509
Energy: 0.062389296144174364
Energy: 0.0612545965658432
Energy: 0.06152849419869588
Energy: 0.005303711702174244
Energy: 0.005053482078300387
Energy: 0.06080694174949451
Energy: 0.0610080517714813
Energy: 0.06178796987875022
Energy: 0.005593310443148884
Energy: 0.0051336425121980755
Energy: 0.00514321381850649
Energy: 0.06287951308292195
Energy: 0.06175178516361807
Energy: 0.06127957332362292
Energy: 0.0631249344124329
Energy: 0.005077844870118654
Energy: 0.060966412423941824
Energy: 0.061501909210813846
Energy: 0.061568510626542124
Energy: 0.06271951586731808

minimum gb energy = 0.004764030241227772 eV
minimum distance =  3.44078290981771 Angstroms
sigma value = 3


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

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Energy: 0.5177059445094827
Energy: 0.5214924129126588
Energy: 0.4833867386453084
Energy: 0.49156937449928917
Energy: 0.4901469435379165
Energy: 0.48233074791902736
Energy: 0.5224062325775607
Energy: 0.5215986634550817
Energy: 0.5176640858673253
Energy: 0.44296928117516426
Energy: 0.44959441995621885
Energy: 0.5245243864594349
Energy: 0.4479991672830037
Energy: 0.4138825803679182
Energy: 0.38363624097480475
Energy: 0.5876138556804242
Energy: 0.5220037776548371
Energy: 0.46736005697670463
Energy: 0.4220304859589434
Energy: 0.4437896790305793
Energy: 0.5402395129169655
Energy: 0.4530104651165661
Energy: 0.41237465717164995
Energy: 0.4132890355744644
Energy: 0.4123062541790369
Energy: 0.5424764524730371
Energy: 0.4546334422984878
Energy: 0.4123747377090586
Energy: 0.47676076362392006
Energy: 0.41247917811953655
Energy: 0.5221673693170055
Energy: 0.5157798629772204
Energy: 0.412331478564443
Energy: 0.41371126369968125
Energy: 0.4124440152830963
Energy: 0.5245470311463931
Energy: 0.45325761603008524
Energy: 0.46525811474616147
Energy: 0.4140121141513045
Energy: 0.4794290174272704
Energy: 0.5176481135925224
Energy: 0.527423605940495
Energy: 0.5038066171491726
Energy: 0.4403904997209284
Energy: 0.53717989053566
Energy: 0.5173983798847387
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Energy: 0.4391382264073399
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Energy: 0.5406365823959579
Energy: 0.5181217958939903
Energy: 0.48268056528387127
Energy: 0.48856683384192506
Energy: 0.5096655257041006
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Energy: 0.5248856163874485
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Energy: 0.5110356200871033
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Energy: 0.5067332086253936
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Energy: 0.5514823626031055
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Energy: 0.43997146578510915
Energy: 0.5273733391887374
Energy: 0.5565955470172277
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Energy: 0.49376818224932556
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Energy: 0.5226744284766484
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Energy: 0.49523680881367915
Energy: 0.3868114878353767
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Energy: 0.5161927323429818
Energy: 0.5228864305996764
Energy: 0.38372927393088296
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Energy: 0.5635308707752971
Energy: 0.4711496536936423
Energy: 0.530524493379549
Energy: 0.5460303508120049
Energy: 0.5564645382241835
Energy: 0.5619529150774321
Energy: 0.5584592626193753
Energy: 0.5351513091543314
Energy: 0.5351247518052862
Energy: 0.5565026615773304
Energy: 0.5623212163186464
Energy: 0.5576212157387196
Energy: 0.535055188276319
Energy: 0.436731512779221
Energy: 0.5543804201729405
Energy: 0.5645464573740425
Energy: 0.5627265206066423
Energy: 0.49600725624842046
Energy: 0.4372606954616473
Energy: 0.5787224537718025
Energy: 0.5638198704052686
Energy: 0.5589163773624608
Energy: 0.4954018583212909
Energy: 0.4927802278324871
Energy: 0.480319083531113
Energy: 0.45335693778141445
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Energy: 0.4925932995583995
Energy: 0.44047441018888595
Energy: 0.45297872510315673
Energy: 0.45445313445920693
Energy: 0.43718771651557514
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Energy: 0.4587044655073216
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Energy: 0.45624936679417255
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Energy: 0.43986147843549483
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Energy: 0.5642016235919007
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Energy: 0.3839741390039824
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Energy: 0.5408825471825442
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Energy: 0.4401068808721495
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Energy: 0.5398451096133626
Energy: 0.5418398870442106
Energy: 0.5451340461943879
Energy: 0.513406340889934
Energy: 0.5311708385970833
Energy: 0.5514715826757691
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Energy: 0.4498923748422934
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Energy: 0.5339540785546384
Energy: 0.5243296356744457
Energy: 0.43422384696208033
Energy: 0.5385483457621496
Energy: 0.5498780049695864
Energy: 0.5339453784877709
Energy: 0.46264132700852323
Energy: 0.4711281436286264
Energy: 0.5519953292866537
Energy: 0.5513735907143646
Energy: 0.4795849186969514
Energy: 0.41009381787504523
Energy: 0.4426170009121444
Energy: 0.5347628460423145
Energy: 0.5528530551989685
Energy: 0.48065661653393127
Energy: 0.39725751358189876
Energy: 0.4754134454251302
Energy: 0.5349704776033462
Energy: 0.4187169774479338
Energy: 0.4382352654738732
Energy: 0.43800393824281286
Energy: 0.46578466820529313
Energy: 0.45246343489429475
Energy: 0.44115877861987834
Energy: 0.43835882159910305
Energy: 0.44029595301256047
Energy: 0.4538977194514613
Energy: 0.4530571303426234
Energy: 0.49850661089152587
Energy: 0.436722094986503
Energy: 0.4370327245007347
Energy: 0.44138042066599964
Energy: 0.4536193426220701
Energy: 0.4637695486319025
Energy: 0.4389626825848382
Energy: 0.437358557809307
Energy: 0.4678996166414696
Energy: 0.4529037499468675
Energy: 0.4127159938413322
Energy: 0.4390874149593189
Energy: 0.44120521323449013
Energy: 0.5203860514565589
Energy: 0.5190564123418927
Energy: 0.4128359597499339
Energy: 0.3875852695790265
Energy: 0.4422379299160461
Energy: 0.5525187968865722
Energy: 0.5220395846311596
Energy: 0.5065981994980756
Energy: 0.5181069308760908
Energy: 0.48200612556425676
Energy: 0.5192020895215
Energy: 0.5418147837560444
Energy: 0.4825794605778429
Energy: 0.41320344402801806
Energy: 0.48220907442929634
Energy: 0.5407841092390635
Energy: 0.5406831338361742
Energy: 0.5177103135828443
Energy: 0.47885801784258464
Energy: 0.5219221334833172
Energy: 0.5228634185203712
Energy: 0.476513807683562
Energy: 0.41343552242079185
Energy: 0.4136104801175825
Energy: 0.5237020517813424
Energy: 0.4842077280856657
Energy: 0.5726661839457784
Energy: 0.5164483875467977
Energy: 0.4824223239558154
Energy: 0.5218629713343874
Energy: 0.4833877303449497
Energy: 0.4916255211724736
Energy: 0.4902594809503427
Energy: 0.4823823640406101
Energy: 0.5215740621899095
Energy: 0.5215647477340447
Energy: 0.4698222858654812

minimum gb energy = 0.38363624097480475 eV
minimum distance =  3.22673529849289 Angstroms
sigma value = 75


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

Energy: 1.2036953921834126
Energy: 0.5916535054343958
Energy: 0.5267100744118858
Energy: 0.6137216286605075
Energy: 0.5934233836207798
Energy: 0.6366875796493209
Energy: 0.6095098106137807
Energy: 0.5438415349372242
Energy: 0.6084710674541479
Energy: 0.588718336447526
Energy: 0.5322885567298952
Energy: 0.5439511136485432
Energy: 0.5442246894949759
Energy: 0.5254475636614223
Energy: 0.5391534649622607
Energy: 0.5308005932832649
Energy: 0.5107561475311645
Energy: 0.5538551877104299
Energy: 0.540138645721407
Energy: 0.5603605393143419
Energy: 0.5578652444126811
Energy: 0.643761628946537
Energy: 0.6372282634662779
Energy: 0.5720706247946676
Energy: 0.562544223967867
Energy: 0.525591718754536
Energy: 0.6437323894755691
Energy: 0.6370694971291759
Energy: 0.5742237702876942
Energy: 0.5241537183423087
Energy: 0.5527498642768847
Energy: 0.5035779822532406
Energy: 0.5387991462531105
Energy: 0.5255243825264768
Energy: 0.5238473493509405
Energy: 0.5470809089361421
Energy: 0.5172572185007531
Energy: 0.5111225057072536
Energy: 0.5577257672516015
Energy: 0.5541501874660778
Energy: 0.5518294139011208
Energy: 0.5195641355571278
Energy: 0.6427845648393103
Energy: 0.6564386728208026
Energy: 0.5113350768107592
Energy: 0.5615235059772556
Energy: 0.5308442533853134
Energy: 0.6035182140310512
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Energy: 0.6210881910141157
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Energy: 0.5552708811655954
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Energy: 0.6218780238787863
Energy: 0.6436303774415708
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Energy: 0.6405701412486121
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Energy: 0.5419710995546912
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Energy: 0.5244997759092955
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Energy: 0.5631973262753319
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Energy: 0.5904658704478367
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Energy: 0.5380487546141098
Energy: 0.5508467990524188
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Energy: 0.643443270853387
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Energy: 0.6250528024500506
Energy: 0.6370479676859503
Energy: 0.5977389709351268
Energy: 0.6254207472806205
Energy: 0.5358533452651767
Energy: 0.6080081872051187
Energy: 0.5607006145018971
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Energy: 0.5464514857331079
Energy: 0.6190288703146486
Energy: 0.5432000023024225
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Energy: 0.5310241328214063
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minimum gb energy = 0.5035779822532406 eV
minimum distance =  3.08035554667649 Angstroms
sigma value = 105


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

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Energy: 0.6201796011769808
Energy: 0.5475427521670616
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Energy: 0.6043906851865676
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Energy: 0.5507445422071752
Energy: 0.5889354943928724
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Energy: 0.5746074955090515
Energy: 0.5789972004717819
Energy: 0.5366617956404961
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Energy: 0.5422318884241504
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Energy: 0.6045114700792042
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Energy: 0.5549209405579781
Energy: 0.5891485258740087
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Energy: 0.5814057881184019
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Energy: 0.6317842701150661
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Energy: 0.6225557399387578
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Energy: 0.6253727436841129
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Energy: 0.5700358113341726
Energy: 0.630034971792256
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Energy: 0.6247295652824801
Energy: 0.6279857662797306
Energy: 0.627329882869323
Energy: 0.5575056816232165
Energy: 0.5387678476438865
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Energy: 0.5970885784702503
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Energy: 0.5530478135000961
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Energy: 0.5586045496948542
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Energy: 0.5422794985454341
Energy: 0.5565321392299118
Energy: 0.5665871317515716
Energy: 0.5582136302299032
Energy: 0.5763181851963636
Energy: 0.5578239026032642
Energy: 0.5590794358014405
Energy: 0.5574018454431939
Energy: 0.5883689347210509
Energy: 0.5972906407561525
Energy: 0.5263878002173682
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Energy: 0.5772072474140062
Energy: 0.5654066883759912
Energy: 0.6351563476824679
Energy: 0.5725239092860268
Energy: 0.5650448520880875
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Energy: 0.57664562681375
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Energy: 0.6374681410066517
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Energy: 0.6243945151711875
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Energy: 0.541886621301507
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Energy: 0.5853367041089524
Energy: 0.5756940115530169
Energy: 0.5452090995348389
Energy: 0.5829160755258705
Energy: 0.6173144160849587
Energy: 0.5650130670635757
Energy: 0.5744208944810164
Energy: 0.5430086674050532
Energy: 0.5979216583716118
Energy: 0.6026565552005139
Energy: 0.5642555455123369
Energy: 0.5756750106009826
Energy: 0.5582712510671002
Energy: 0.597950314890501
Energy: 0.5954457893200995
Energy: 0.5806446588017086
Energy: 0.5418014213232539
Energy: 0.5742828027936303
Energy: 0.5841012989425017
Energy: 0.5801213684229323
Energy: 0.57658159619607
Energy: 0.519201175998647
Energy: 0.5753576645933387
Energy: 0.588702854161519
Energy: 0.5768632574756903
Energy: 0.5790542974858508
Energy: 0.5788517121068077
Energy: 0.5628341512286895
Energy: 0.5806507309685521
Energy: 0.564250492118176
Energy: 0.5494988918209952
Energy: 0.549583086553456
Energy: 0.5744817934831299
Energy: 0.5274297392316625
Energy: 0.5840464287687341
Energy: 0.5765925618177568
Energy: 0.5808635028600141
Energy: 0.5664291758907629
Energy: 0.5276935071965027
Energy: 0.5630024686736258
Energy: 0.5241235255237083
Energy: 0.5767388831723225
Energy: 0.5766023583624149
Energy: 0.5692012163871989
Energy: 0.5960916566176993
Energy: 0.5383359440601476
Energy: 0.5623122806729928
Energy: 0.5827596710348083
Energy: 0.5644994468791391
Energy: 0.6086598229008339
Energy: 0.5388248793485529
Energy: 0.551131509431799
Energy: 0.5956722363705474
Energy: 0.5666389887741404
Energy: 0.5932978551899224
Energy: 0.5975629720350814
Energy: 0.5813032980109514
Energy: 0.5772295664706738
Energy: 0.5931209831283866
Energy: 0.6246320936451244
Energy: 0.597749290532241
Energy: 0.5949699209693989
Energy: 0.5952789740163223
Energy: 0.5962561918026805
Energy: 0.5811644394637172
Energy: 0.5726214700961165
Energy: 0.5368456819119459
Energy: 0.5179078261870492
Energy: 0.5815521244612397
Energy: 0.5248895263821555
Energy: 0.5569984672159158
Energy: 0.518138735738053
Energy: 0.5174552003731269
Energy: 0.5935126172197798
Energy: 0.5266501844515282
Energy: 0.5174114377266832
Energy: 0.5176555465109248
Energy: 0.5171247954573063
Energy: 0.5139863632521141
Energy: 0.5110623580864191
Energy: 0.5173193495354144
Energy: 0.5373170665352135
Energy: 0.5173515438630593
Energy: 0.5825662340412411

minimum gb energy = 0.5110623580864191 eV
minimum distance =  3.1023301296839 Angstroms
sigma value = 165


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

Energy: 0.7621201721393949
Energy: 0.5190435308750215
Energy: 0.5237590819311259
Energy: 0.5247200423216491
Energy: 0.5190762681571454
Energy: 0.5867372055140623
Energy: 0.5241124559481933
Energy: 0.5237574169809489
Energy: 0.5249801512012637
Energy: 0.519179679495277
Energy: 0.518983970350288
Energy: 0.5597512408154559
Energy: 0.5235225195361637
Energy: 0.561512022515582
Energy: 0.5608841817992763
Energy: 0.559560642711978
Energy: 0.559847413038079
Energy: 0.5601425845162574
Energy: 0.5612508794490332
Energy: 0.5601971001453578
Energy: 0.5242799566625657
Energy: 0.5961946096811637
Energy: 0.5600246817117867
Energy: 0.5238873510269526
Energy: 0.5936955027633474
Energy: 0.5241444135481466
Energy: 0.5625750313978939
Energy: 0.561921326608675
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Energy: 0.5938564139758484
Energy: 0.5898416272000706
Energy: 0.5616288184581607
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Energy: 0.5236961511758711
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Energy: 0.5617887974394196
Energy: 0.5600974293969275
Energy: 0.5620547068446983
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Energy: 0.5939603662699415
Energy: 0.5600037917183297
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Energy: 0.5610418779977576
Energy: 0.5601090113079482
Energy: 0.524609211003365
Energy: 0.5628771334383839
Energy: 0.5222577365280614
Energy: 0.5608572984611426
Energy: 0.5605338943452125
Energy: 0.5250930794009752
Energy: 0.5222557275048191
Energy: 0.5223304072019559
Energy: 0.5621810779804506
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Energy: 0.5246512937773975
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Energy: 0.5629901625241557
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Energy: 0.5186053317846883
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Energy: 0.5623163546508634
Energy: 0.5622876755286601
Energy: 0.519050574035152
Energy: 0.5183668270348175
Energy: 0.5600402411468443
Energy: 0.5234891597205951
Energy: 0.5593266530584147
Energy: 0.5250367740291765
Energy: 0.5185265442334516
Energy: 0.5248678550009177
Energy: 0.5236571618117704
Energy: 0.5595006136898113
Energy: 0.5190274438140532
Energy: 0.5980251863581443
Energy: 0.5241971937947765
Energy: 0.5608583032732667
Energy: 0.5623074680473178
Energy: 0.5593499918494071
Energy: 0.5980113046629507
Energy: 0.5609623743730494
Energy: 0.5608205984249633
Energy: 0.562655417837022
Energy: 0.559843639236752
Energy: 0.5188910737366735
Energy: 0.5236206041109724
Energy: 0.5243375006924389
Energy: 0.5625730095150541
Energy: 0.5951709843388744
Energy: 0.5245161097948208
Energy: 0.5236495050146667
Energy: 0.5237922798461665
Energy: 0.5959117347773416
Energy: 0.518630504135516
Energy: 0.5245973781538515
Energy: 0.5605280000595598
Energy: 0.562818858672758
Energy: 0.5631482050479937
Energy: 0.5184911945324354
Energy: 0.5241520683681784
Energy: 0.5598207670694649
Energy: 0.5627738296800318
Energy: 0.562683572470039
Energy: 0.5685529868937113
Energy: 0.5917131813518673
Energy: 0.5223481817768646
Energy: 0.5245782951297776
Energy: 0.5594229273049187
Energy: 0.5241773881990801
Energy: 0.591718406915516
Energy: 0.5222842155580134
Energy: 0.5244464346505857
Energy: 0.5599119975053952
Energy: 0.5241823057664408
Energy: 0.5633779650496038
Energy: 0.5600957007737707
Energy: 0.5246364465668558
Energy: 0.5189894453902586
Energy: 0.5636055503850059
Energy: 0.6003068946884618
Energy: 0.5599318677241074
Energy: 0.5246656944030235
Energy: 0.5195415366412486
Energy: 0.5602641527212507
Energy: 0.5188233677429946
Energy: 0.5646037967882959
Energy: 0.5248085857010819
Energy: 0.5238452997885238
Energy: 0.5597361700192961
Energy: 0.5187140037890607
Energy: 0.5623111536341606
Energy: 0.5616372733184856
Energy: 0.5239035681281199
Energy: 0.5595867152223803

minimum gb energy = 0.5183668270348175 eV
minimum distance =  3.11898706415948 Angstroms
sigma value = 41


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

Energy: 0.489168236700342
Energy: 0.46871919557363273
Energy: 0.4748154125591451
Energy: 0.4649485312705887
Energy: 0.45078374134899724
Energy: 0.4867526001232209
Energy: 0.4635364029397291
Energy: 0.47607234686725103
Energy: 0.47651198302455416
Energy: 0.48786087399382
Energy: 0.5308855357277789
Energy: 0.4953598609399114
Energy: 0.4880881266591021
Energy: 0.48734343248862255
Energy: 0.4924319199294652
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Energy: 0.4597881716043174
Energy: 0.49204374416471997
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Energy: 0.5048468961252848
Energy: 0.4960878290183454
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Energy: 0.49497971294499465
Energy: 0.499870135107194
Energy: 0.5195752621547005
Energy: 0.5058152040158946
Energy: 0.49779282670759506
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Energy: 0.503797325715369
Energy: 0.5067357216028447
Energy: 0.529961719505036
Energy: 0.4878839678641466
Energy: 0.5283667742325969
Energy: 0.5027828845358155
Energy: 0.5691741045775058
Energy: 0.5301012030594416
Energy: 0.4914636796714478
Energy: 0.4937790382621051
Energy: 0.48702915018833703
Energy: 0.5060600719415999
Energy: 0.5345844852271072
Energy: 0.5177918407301
Energy: 0.5298603370567032
Energy: 0.5187910105572902
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Energy: 0.5002064356469743
Energy: 0.49390206529839076
Energy: 0.5302338322318287
Energy: 0.5316890767224509
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Energy: 0.5123241183581366
Energy: 0.4698612970976382
Energy: 0.531649703333576
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Energy: 0.5153257170481967
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Energy: 0.5290184614766549
Energy: 0.4997508121113493
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Energy: 0.5087594205950395
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Energy: 0.5327771709169994
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Energy: 0.4765879022119552
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Energy: 0.4907407405707052
Energy: 0.5282200165299957
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Energy: 0.4669732881189563
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Energy: 0.4922015316849931
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Energy: 0.5025253657989314
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Energy: 0.5146060850186653
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Energy: 0.47798066946127227
Energy: 0.5024342980959705
Energy: 0.4914235274765919
Energy: 0.515127821540626
Energy: 0.4994350743491292
Energy: 0.4672022318594393
Energy: 0.5079268295574051
Energy: 0.5201870548869638
Energy: 0.5235030454454335
Energy: 0.5257132048107513
Energy: 0.4954393984757262
Energy: 0.5248043679385764
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Energy: 0.5210983495943118
Energy: 0.4998833771463351
Energy: 0.4990924781206009
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Energy: 0.5059368431777116
Energy: 0.4996048508159095
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Energy: 0.508786451723987
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Energy: 0.4809928523017221
Energy: 0.5225929158878612
Energy: 0.5303038488290612
Energy: 0.5295599272506125
Energy: 0.5316839750385225
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Energy: 0.5281942268754763
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Energy: 0.5295815515169546
Energy: 0.5320208192782858
Energy: 0.49730717075705
Energy: 0.5209944312732323
Energy: 0.5074589356099513
Energy: 0.46913704171646725
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Energy: 0.5307077297876311
Energy: 0.5332430311188163
Energy: 0.5097887346663986
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Energy: 0.5292979510090782
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Energy: 0.48796019388463585
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Energy: 0.5192510393355808
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Energy: 0.48525176445547336
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Energy: 0.5212530188477604
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Energy: 0.49810631717099535
Energy: 0.5229439408024104
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Energy: 0.525241568793175
Energy: 0.5080454129638766
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Energy: 0.49333604889192273
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Energy: 0.49867688554847667
Energy: 0.46899347184163165
Energy: 0.5204845350000206
Energy: 0.5100166339428913
Energy: 0.5281141701492054
Energy: 0.5013668448099743
Energy: 0.47464148895026925
Energy: 0.5077849640227525
Energy: 0.5273342593649525
Energy: 0.4606335194362031
Energy: 0.46267956616286515
Energy: 0.49512509128946697
Energy: 0.46495608528112686
Energy: 0.5203116478775408
Energy: 0.4912541625822958
Energy: 0.49614180550164566
Energy: 0.47174998280969344
Energy: 0.47210764184599036
Energy: 0.4994360543518558
Energy: 0.477549525280003
Energy: 0.45992413983128894
Energy: 0.4732420074933374
Energy: 0.4722048459722562
Energy: 0.5123544395548515
Energy: 0.47247375118931967
Energy: 0.495384128418654
Energy: 0.4763501368050061
Energy: 0.5321765356350189
Energy: 0.5330416465140844
Energy: 0.4877267072993077
Energy: 0.47282437179119646
Energy: 0.46154738184182925
Energy: 0.5138889987888677
Energy: 0.51439305879239
Energy: 0.49216714264570355
Energy: 0.46340398457113696
Energy: 0.5013153564433274
Energy: 0.5064212417097821
Energy: 0.46866721800387695
Energy: 0.4925419766734333
Energy: 0.4918869195006391
Energy: 0.4624434313600937
Energy: 0.4523818228766885
Energy: 0.4662774172983441
Energy: 0.4882536421329228
Energy: 0.484358273228139
Energy: 0.4831159993197496

minimum gb energy = 0.45078374134899724 eV
minimum distance =  3.16246095897764 Angstroms
sigma value = 185


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

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Energy: 0.24904199546173997
Energy: 0.279241598621011
Energy: 0.2725454475595783
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Energy: 0.21499989733674085
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Energy: 0.28343929238434074
Energy: 0.32199433103398417
Energy: 0.28155708636368426
Energy: 0.21874562543088003
Energy: 0.21562274112369834
Energy: 0.2898068078070521
Energy: 0.2874674816508555
Energy: 0.2782444347640948
Energy: 0.2171586148421776
Energy: 0.21568412414349544
Energy: 0.29697867224003155
Energy: 0.27761598447950675
Energy: 0.2735872973478001
Energy: 0.2912612142382976
Energy: 0.2835313727549381
Energy: 0.27369124503890957
Energy: 0.277669721208275
Energy: 0.2884305309904162
Energy: 0.28508597643794525
Energy: 0.2813097594560462
Energy: 0.2745462557765688
Energy: 0.2770941763969648
Energy: 0.2887325923634476
Energy: 0.24354539804079933
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Energy: 0.2779256111274713
Energy: 0.29218328308225583
Energy: 0.28284469772859233
Energy: 0.21433998465102483
Energy: 0.2793292561125668
Energy: 0.27333969220170906
Energy: 0.28885151049250063
Energy: 0.24438463832152116

minimum gb energy = 0.21433998465102483 eV
minimum distance =  3.28580605219677 Angstroms
sigma value = 33


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

Energy: 0.4597311746460895
Energy: 0.4461964702715244
Energy: 0.4451695999743316
Energy: 0.4509476711121571
Energy: 0.44026572319776847
Energy: 0.44101537351732917
Energy: 0.4441309229118838
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Energy: 0.44484438422262035
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Energy: 0.4442172044142956
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Energy: 0.4546140600685086
Energy: 0.45723352149489377
Energy: 0.46188284729247225
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Energy: 0.4528357603447198

minimum gb energy = 0.4364917655523726 eV
minimum distance =  3.17602388388947 Angstroms
sigma value = 219


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

Energy: 0.5989734240987636
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Energy: 0.5751496232405261
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Energy: 0.5900849175245957
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Energy: 0.6008737663652285
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Energy: 0.5903430418428968
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Energy: 0.6064411420852335
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Energy: 0.6051154006648745
Energy: 0.599785835042131
Energy: 0.586965970278318
Energy: 0.5855769022662451
Energy: 0.6022246270814815

minimum gb energy = 0.5748979547493538 eV
minimum distance =  3.17739864890327 Angstroms
sigma value = 15


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

Energy: 0.6602716469539258
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Energy: 0.6964036833420654
Energy: 0.6706931114226474
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Energy: 0.6603439536784806
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Energy: 0.6653889971164813
Energy: 0.6702663708915035
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Energy: 0.6653222931075693
Energy: 0.6829249341490004
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Energy: 0.6698741377598986
Energy: 0.6652466145784923
Energy: 0.683104437935307
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minimum gb energy = 0.6497322041878457 eV
minimum distance =  3.15671155801375 Angstroms
sigma value = 293


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

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Energy: 0.6626800050989029
Energy: 0.6821839184580448
Energy: 0.6991423988206746
Energy: 0.6848359602400307
Energy: 0.6836329750182835
Energy: 0.6627085828127824
Energy: 0.6819538008879816
Energy: 0.6992084782920938
Energy: 0.6632942514725028
Energy: 0.6839331798924053
Energy: 0.7189955907811284
Energy: 0.6624263897090978
Energy: 0.6996081261964401
Energy: 0.6632674122910516
Energy: 0.709549443393688
Energy: 0.7087162964943519
Energy: 0.6627268234111586
Energy: 0.6792391333673613
Energy: 0.692032721411551
Energy: 0.6989313040762302
Energy: 0.6634928336875832
Energy: 0.6702555688066189
Energy: 0.6992718278880494
Energy: 0.6696633339970408
Energy: 0.6991137577988927
Energy: 0.6638828928334923
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Energy: 0.6993302602749359
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Energy: 0.6798351922978739
Energy: 0.6653947640990495
Energy: 0.6618830710919376
Energy: 0.6719131793578637
Energy: 0.6489517355853954
Energy: 0.6799856299347541
Energy: 0.665248583031161
Energy: 0.661939954489016
Energy: 0.6704852990849334
Energy: 0.6618669878340789
Energy: 0.6622224688204696
Energy: 0.6634480313827376
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Energy: 0.6626764738472459
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Energy: 0.6752954867121752
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Energy: 0.6512507754760478
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Energy: 0.6620968050997822
Energy: 0.66283782364612
Energy: 0.6858956539379741
Energy: 0.6635252206293522
Energy: 0.6686714623155522
Energy: 0.6625472684168724
Energy: 0.6632448745237871
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Energy: 0.663492382816437
Energy: 0.6682300480395877
Energy: 0.6621803148953768
Energy: 0.6614519219266443
Energy: 0.660856610371591
Energy: 0.6807240626161558
Energy: 0.6627496768932492
Energy: 0.6803587331451554
Energy: 0.6621456591006465
Energy: 0.6611576594014624
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Energy: 0.6630158689603642
Energy: 0.6799685906828483
Energy: 0.6619818453561828
Energy: 0.6626933626756061
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Energy: 0.6992257492084613
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Energy: 0.6840451712577545
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Energy: 0.6840379684613924
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Energy: 0.7006903884394099
Energy: 0.6992435652339584
Energy: 0.6838111280338979
Energy: 0.6733199939571609
Energy: 0.669246133155269
Energy: 0.6630143511984665
Energy: 0.717627208731641
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Energy: 0.6628205804745394
Energy: 0.6688234694879296
Energy: 0.6621615563239859
Energy: 0.6690251502862165
Energy: 0.6690815001270564
Energy: 0.6633003041959769
Energy: 0.6644313581823291
Energy: 0.6632850326865051
Energy: 0.6496819932356472
Energy: 0.6493574407507688
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Energy: 0.6802549555955796
Energy: 0.6500471666608377
Energy: 0.6493273572243026
Energy: 0.6692617796867026
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Energy: 0.6687424132203531
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Energy: 0.6874739902422822
Energy: 0.666499616514559
Energy: 0.6619428904984982
Energy: 0.7061604181575385
Energy: 0.6630924575449373
Energy: 0.6882608396360138
Energy: 0.6660549767707395
Energy: 0.661438673932352
Energy: 0.68792949457354
Energy: 0.6629081103361856
Energy: 0.651892617512328
Energy: 0.6625126978051246
Energy: 0.6854700929479632
Energy: 0.6574169959972658
Energy: 0.6514422108523616
Energy: 0.67538539670492
Energy: 0.6623438033160083
Energy: 0.7056253256884495
Energy: 0.6579654525434416
Energy: 0.6521028672719574
Energy: 0.7004932897552905
Energy: 0.6625763338699452
Energy: 0.6629818370093152
Energy: 0.6749306209481764
Energy: 0.651533053291536
Energy: 0.6656913685763937
Energy: 0.6620305294257381
Energy: 0.6635327243185297
Energy: 0.6754793717042452
Energy: 0.6516201313561566
Energy: 0.6636455813765822
Energy: 0.6685110773142251
Energy: 0.6618548895351024
Energy: 0.6636294069762633
Energy: 0.6615952077626257
Energy: 0.6645775442151127
Energy: 0.6689096102566274
Energy: 0.6618167203523095
Energy: 0.6622286007341206
Energy: 0.6620638232240044
Energy: 0.6797770762074852
Energy: 0.683688044827415
Energy: 0.6805872271157969
Energy: 0.6610218598648948
Energy: 0.6622952201065619
Energy: 0.6627313293014554
Energy: 0.6838116947508922
Energy: 0.6813842451850912
Energy: 0.6607014674831992
Energy: 0.6616436020917178
Energy: 0.6628730776313109
Energy: 0.682084975756326
Energy: 0.6999056424745534
Energy: 0.6625773543602036
Energy: 0.6992368925439406
Energy: 0.6698401881758942
Energy: 0.6830462528001686
Energy: 0.6998963452765643
Energy: 0.6865081542203977
Energy: 0.699099303523479
Energy: 0.6632037237894531
Energy: 0.6846508368894375
Energy: 0.6692084829751034
Energy: 0.6627663713266466
Energy: 0.6993888611200675
Energy: 0.6625582973682071
Energy: 0.6844561137187262
Energy: 0.6701426003114371
Energy: 0.6631777222393892
Energy: 0.6999532107581566
Energy: 0.6494353339444535
Energy: 0.6639458065730145
Energy: 0.6628933406985531
Energy: 0.6691917599280128
Energy: 0.7002794697040061
Energy: 0.7104210539812946
Energy: 0.6635840592036982
Energy: 0.6631825701979766
Energy: 0.669737548657029
Energy: 0.7192487762283154

minimum gb energy = 0.6488797828890156 eV
minimum distance =  3.16939011734566 Angstroms
sigma value = 293


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

Energy: 0.6500506289326811
Energy: 0.6610742263349031
Energy: 0.7114214619305274
Energy: 0.6614568062372193
Energy: 0.6600268582113398
Energy: 0.6497458466404334
Energy: 0.6626546165403101
Energy: 0.7110082878186386
Energy: 0.6616590910243153
Energy: 0.6581002069801077
Energy: 0.6520036007755041
Energy: 0.6617394264850608
Energy: 0.6622169627262968
Energy: 0.6621625213567206
Energy: 0.6624862059780741
Energy: 0.702845794276973
Energy: 0.6617079852152216
Energy: 0.6563955156607294
Energy: 0.6620207271181615
Energy: 0.6625206315814557
Energy: 0.6616605404661953
Energy: 0.6615365785199602
Energy: 0.6611187486505387
Energy: 0.6620231243041068
Energy: 0.7011625214288083
Energy: 0.6619858178571438
Energy: 0.6620309842219615
Energy: 0.6612548218949392
Energy: 0.7090194600151863
Energy: 0.7023729210820863
Energy: 0.7085691342494557
Energy: 0.6513135343921043
Energy: 0.6551593771518258
Energy: 0.6622371122142986
Energy: 0.7031190563488862
Energy: 0.7099805317767466
Energy: 0.6508169538475759
Energy: 0.657067956549591
Energy: 0.6617871817613312
Energy: 0.6524217917818176
Energy: 0.661522624250139
Energy: 0.6588027918121522
Energy: 0.650797671950118
Energy: 0.6613107207540997
Energy: 0.6615230251035426
Energy: 0.6618420237727585
Energy: 0.6567858546281068
Energy: 0.6513248096775207
Energy: 0.6613715870924805
Energy: 0.6615658549318993
Energy: 0.6618649061083354
Energy: 0.7085692455429867
Energy: 0.6629921129408176
Energy: 0.6614901021127471
Energy: 0.6585760976643877
Energy: 0.6615966669576268
Energy: 0.710099403477735
Energy: 0.6626341047056908
Energy: 0.6612195821739507
Energy: 0.6604453915855306
Energy: 0.71128932991079
Energy: 0.6516368812540362
Energy: 0.6624594612597272
Energy: 0.6616934334281034
Energy: 0.6613934454685324
Energy: 0.711260635310215
Energy: 0.6511606704483528
Energy: 0.6626971975032699
Energy: 0.661638733154319
Energy: 0.6613926069739557
Energy: 0.6623529089862037
Energy: 0.7005800459031742
Energy: 0.6617701810556599
Energy: 0.6505544897608222
Energy: 0.6604103997712921
Energy: 0.662220597537037
Energy: 0.6998395235845721
Energy: 0.6614170494774891
Energy: 0.6503691933673795
Energy: 0.6612553319551285
Energy: 0.661322565104767
Energy: 0.6555720569015439
Energy: 0.6621430042562354
Energy: 0.6537663041935551
Energy: 0.7044307710855098
Energy: 0.6612995188152807
Energy: 0.662381102367925
Energy: 0.6623806987635685
Energy: 0.6525933043047972
Energy: 0.7065847372878461
Energy: 0.6611643119988264
Energy: 0.6611076373293199
Energy: 0.6997065723048913
Energy: 0.7107402450018931
Energy: 0.6610835864343226
Energy: 0.661049992779158
Energy: 0.6611713352509381
Energy: 0.6995988941339547
Energy: 0.6652217339549
Energy: 0.6616136852948622
Energy: 0.6518792447219955
Energy: 0.6633631158527036
Energy: 0.6601166896214335
Energy: 0.6618511537839662
Energy: 0.7053941352753105
Energy: 0.6526593690626055
Energy: 0.6631044266274518
Energy: 0.6511920514096617
Energy: 0.6618031061684463
Energy: 0.7040295071820418
Energy: 0.6501630097639406
Energy: 0.6621677009704607
Energy: 0.7118255660502709
Energy: 0.6612736501761662
Energy: 0.6604521827797027
Energy: 0.6506126343584233
Energy: 0.6628097343907352
Energy: 0.7108275821122642
Energy: 0.6615935270581201
Energy: 0.6586619971652106
Energy: 0.7047565464737244
Energy: 0.6618944720318599
Energy: 0.6622243237039219
Energy: 0.6621998518512026
Energy: 0.6625259570998534
Energy: 0.7031578952875561
Energy: 0.661755599297249
Energy: 0.6560649100259117
Energy: 0.6619812119320688
Energy: 0.6624989682282403
Energy: 0.6615357069312963
Energy: 0.6617259751952556
Energy: 0.6610314013386043
Energy: 0.7107949673392235
Energy: 0.7010151415064987
Energy: 0.6618325789810283
Energy: 0.661979941094542
Energy: 0.6611628496046864
Energy: 0.7097918507562104
Energy: 0.7022751401795758
Energy: 0.7077351299124727
Energy: 0.6514198957085715
Energy: 0.6549859662603946
Energy: 0.6623437168158179
Energy: 0.70330372973597
Energy: 0.7093954010031901
Energy: 0.6509009621118301
Energy: 0.6568105745949488
Energy: 0.6618711868880771
Energy: 0.7017962005263992
Energy: 0.6615446804938576
Energy: 0.6591456288852188
Energy: 0.6506639914322268
Energy: 0.6614728545589805
Energy: 0.6615039472472883
Energy: 0.6617038255589628
Energy: 0.6566249319451475
Energy: 0.6511724110605774
Energy: 0.6609314687596406
Energy: 0.661615918707307
Energy: 0.6617920502298784
Energy: 0.7084703787428563
Energy: 0.6628505646914473
Energy: 0.6615283144248996
Energy: 0.6581198003004668
Energy: 0.661681788547191
Energy: 0.7100507608161789
Energy: 0.6625161633356114
Energy: 0.6612602551519282
Energy: 0.6600490418462049
Energy: 0.7116004070108601
Energy: 0.6517401580864857
Energy: 0.6624380827645417
Energy: 0.6616475059693161
Energy: 0.6613622478899076
Energy: 0.7120757266059555
Energy: 0.6512850987258222
Energy: 0.6627109795256155
Energy: 0.6616733381917782
Energy: 0.6613889698424351
Energy: 0.6624996353396316
Energy: 0.7006151447297094
Energy: 0.6619876567510142
Energy: 0.6506452843384797
Energy: 0.6602528186776316
Energy: 0.6628291295608039
Energy: 0.6998534354296426
Energy: 0.6613017955037693
Energy: 0.650447884008231
Energy: 0.6609550771679196
Energy: 0.6612510689285903
Energy: 0.6558976473508326
Energy: 0.6621802562247764
Energy: 0.6539106375079435
Energy: 0.7044362842861954
Energy: 0.6613255113631669
Energy: 0.6624809522799273
Energy: 0.6624489866736821
Energy: 0.6526787170224921
Energy: 0.6616634908143966
Energy: 0.6612467606814388
Energy: 0.6610755150359341
Energy: 0.699796320778085
Energy: 0.711022818201826
Energy: 0.6610356659099257
Energy: 0.6611164661623166
Energy: 0.6611016796435302
Energy: 0.6996660640002402
Energy: 0.6627949306367379
Energy: 0.6606042418144213
Energy: 0.6516914006169768
Energy: 0.663290536516885
Energy: 0.6600481227324435
Energy: 0.7107610646164821
Energy: 0.7054882436738452
Energy: 0.6524978880657462
Energy: 0.6631054550775344
Energy: 0.6511192034879745
Energy: 0.7116822136358207
Energy: 0.7040359852661646

minimum gb energy = 0.6497458466404334 eV
minimum distance =  3.1384745465008 Angstroms
sigma value = 15


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

Energy: 0.63009310829717
Energy: 0.6763541597172332
Energy: 0.7004183087305411
Energy: 0.6589776779616804
Energy: 0.6971933846499944
Energy: 0.6416496512984392
Energy: 0.6900689211399591
Energy: 0.6945116590854107
Energy: 0.6621186701090778
Energy: 0.6524840580436387
Energy: 0.6290381375632368
Energy: 0.6654584583162411
Energy: 0.6590127510562027
Energy: 0.681717479308264
Energy: 0.6824551282357514
Energy: 0.6298857976577338
Energy: 0.6483119462064691
Energy: 0.65878795189829
Energy: 0.6549548147972564
Energy: 0.6610462344219831
Energy: 0.7124158815303894
Energy: 0.6450237042778302
Energy: 0.6355521590912859
Energy: 0.6707650918406503
Energy: 0.6296278043770683
Energy: 0.7056973167648435
Energy: 0.6705670478527095
Energy: 0.6353482787181816
Energy: 0.6699809500337668
Energy: 0.6371020997468829
Energy: 0.6382783843815316
Energy: 0.6336713917951212
Energy: 0.6670774347978751
Energy: 0.7012156947533231
Energy: 0.6295964142812689
Energy: 0.6320094881949565
Energy: 0.6334774683174926
Energy: 0.6671365969006525
Energy: 0.7119003421333322
Energy: 0.6371112577345912
Energy: 0.6451712173522399
Energy: 0.7040981607003284
Energy: 0.6322843880284298
Energy: 0.6347460997917733
Energy: 0.6878044234819551
Energy: 0.7238076044915772
Energy: 0.7011163799939933
Energy: 0.6515557411631688
Energy: 0.6352078749579771
Energy: 0.6881330934948331
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Energy: 0.6343727604918558
Energy: 0.6344906619668811
Energy: 0.7169871634671524
Energy: 0.7488117136619158
Energy: 0.6401665569651718
Energy: 0.6351165291819778
Energy: 0.633953919517217
Energy: 0.7115298939238359
Energy: 0.7429194350730769
Energy: 0.6361810790928425
Energy: 0.6344198462006212
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Energy: 0.658117574202182
Energy: 0.7161833085364753
Energy: 0.6357275182220591
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Energy: 0.6349260136544201
Energy: 0.6523244929070064
Energy: 0.7321905383951086
Energy: 0.6544130902991669
Energy: 0.6340865370957883
Energy: 0.6650273304558327
Energy: 0.6326788337189829
Energy: 0.6792840551324703
Energy: 0.6372299149102375
Energy: 0.633687684472372
Energy: 0.6685724920691616
Energy: 0.6323886358354652
Energy: 0.7091295565949923
Energy: 0.6359139124430693
Energy: 0.628164899071206
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Energy: 0.6331321988842834
Energy: 0.6342509127282541
Energy: 0.6342422597968117
Energy: 0.7172243165514772
Energy: 0.6937209755852567
Energy: 0.6338171086088317
Energy: 0.6345922315563187
Energy: 0.6775908167309113
Energy: 0.6726342765252147
Energy: 0.6344895060991529
Energy: 0.6305670029932481
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Energy: 0.6639504139840122
Energy: 0.6469973362115551
Energy: 0.626765654236222
Energy: 0.6466734075933398
Energy: 0.6797071999936587
Energy: 0.6716615958652428
Energy: 0.6530274806895545
Energy: 0.6536145395295209
Energy: 0.6320769806182261
Energy: 0.6826679331080592
Energy: 0.6504209456216806
Energy: 0.6450827697278121
Energy: 0.6498651186069476
Energy: 0.6385786458353617
Energy: 0.7762630887161709
Energy: 0.6406774104239835
Energy: 0.6849880811857144
Energy: 0.6428050957440534
Energy: 0.6620722597646431
Energy: 0.653484268962619
Energy: 0.6515397106329166
Energy: 0.6269366644872973
Energy: 0.6386369330600957
Energy: 0.6613982229686505
Energy: 0.6730136956349653
Energy: 0.6378426762686048
Energy: 0.6336604662616871
Energy: 0.6835458788350997
Energy: 0.6586018166337695
Energy: 0.6886935223747378
Energy: 0.6268547771887522
Energy: 0.6337710585684097
Energy: 0.6822452310912915
Energy: 0.6986863583321808
Energy: 0.6594819779542856
Energy: 0.658707148400116
Energy: 0.7128527127793641
Energy: 0.6493873482762601
Energy: 0.6645189842996156
Energy: 0.6800607887608672
Energy: 0.6620322344442353
Energy: 0.7134317028620603
Energy: 0.6498440563588471
Energy: 0.6632810969871682
Energy: 0.6334230686533727
Energy: 0.6445618320615015
Energy: 0.6312257421856082
Energy: 0.6643866346819077
Energy: 0.6386190877735933
Energy: 0.6326706871869527
Energy: 0.6504220829198955
Energy: 0.6283624737375016
Energy: 0.6736459800289859
Energy: 0.6517733473634896
Energy: 0.7138406284788651
Energy: 0.7467223580953503
Energy: 0.6569509954640003
Energy: 0.6786973241131493
Energy: 0.658771339742117
Energy: 0.7235095218489414
Energy: 0.7433605257599896
Energy: 0.6632203846245847
Energy: 0.6656018145989887
Energy: 0.6387800253218646
Energy: 0.6299157411848445
Energy: 0.6508630665659693
Energy: 0.6355149459764768
Energy: 0.7089227659869384
Energy: 0.6571922595571219
Energy: 0.6306630546807559
Energy: 0.6545749007896151
Energy: 0.6389396028383812
Energy: 0.7108782717823865
Energy: 0.6559738134515917
Energy: 0.7516411411930498
Energy: 0.7527019011692282
Energy: 0.756369523907809
Energy: 0.6405122296721616
Energy: 0.6368352112965762
Energy: 0.7538159242517037
Energy: 0.7530292729401996
Energy: 0.741420848161981
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Energy: 0.6360713495686283
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Energy: 0.6289001148023989
Energy: 0.6958714140027544
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Energy: 0.6557998123231396
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Energy: 0.6281087525220219
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Energy: 0.6361147686927147
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Energy: 0.6741820381354016
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Energy: 0.6714920881552114
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Energy: 0.6581205449262254
Energy: 0.6682192282327798
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Energy: 0.6555129125580694
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Energy: 0.702214666863594
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Energy: 0.6373471729352769
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Energy: 0.6761041646958705
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Energy: 0.6287700898951973
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Energy: 0.7097571995693799
Energy: 0.6993011983883578
Energy: 0.7160072463458441
Energy: 0.6420020338534672
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Energy: 0.6327744280993745
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Energy: 0.7492419042892708
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Energy: 0.6346002347475257
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Energy: 0.7689631836437505
Energy: 0.7147100646354774
Energy: 0.6347453779443952
Energy: 0.63442904168968
Energy: 0.7203851053890103
Energy: 0.769070405167583
Energy: 0.6363569809699021
Energy: 0.6342196199045876
Energy: 0.6358338499614491
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Energy: 0.6549275676481748
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Energy: 0.6383769641906288
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Energy: 0.6387662346701393
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Energy: 0.6395332222579097
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Energy: 0.6281749408025419
Energy: 0.6602085827954894
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Energy: 0.6280843956435904
Energy: 0.678981149335345
Energy: 0.6280976062796513
Energy: 0.6693187037705368
Energy: 0.6305415207549857
Energy: 0.6337145110494965
Energy: 0.6929017210255856
Energy: 0.6739111660021652
Energy: 0.6520322872441278
Energy: 0.6637161813561817
Energy: 0.6530357314444348
Energy: 0.6742644563207535
Energy: 0.6457832262421097
Energy: 0.65742372780384
Energy: 0.6580376502572853
Energy: 0.644874961161867
Energy: 0.776146573656143
Energy: 0.6995910990298357
Energy: 0.626865554966417
Energy: 0.6268270751032519
Energy: 0.6545390785634827
Energy: 0.742577662528584
Energy: 0.6980661355810142
Energy: 0.6305604731745855
Energy: 0.6306647463238828
Energy: 0.6643622830747244
Energy: 0.6749062284434417
Energy: 0.6272383058233223
Energy: 0.6334250662923667
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Energy: 0.6601099700911639
Energy: 0.6924149832729986
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Energy: 0.6318584233940131
Energy: 0.6724273550229893
Energy: 0.6594740295677294
Energy: 0.6459430970502114
Energy: 0.6608275174910156
Energy: 0.6809259124745347
Energy: 0.6453327429345931
Energy: 0.6505497061111045
Energy: 0.6681625045031193
Energy: 0.6528870294897332
Energy: 0.6680887855890113
Energy: 0.6440240376151455
Energy: 0.6486435217218249
Energy: 0.6327743422088102
Energy: 0.6677521894012559
Energy: 0.6268965138768829
Energy: 0.659305060445578
Energy: 0.651230883483305
Energy: 0.633551653821609
Energy: 0.6309726337355623
Energy: 0.6320144038641262
Energy: 0.6477140209807443
Energy: 0.6405533391615903
Energy: 0.7621349593590303
Energy: 0.7392525689265667
Energy: 0.6384945345131234
Energy: 0.7163203010570456
Energy: 0.6583736180830099
Energy: 0.7300810544234735
Energy: 0.7437651831360174
Energy: 0.6309429253591552
Energy: 0.719521447380698
Energy: 0.6265025825745398
Energy: 0.6311025674578604
Energy: 0.6797157475549395
Energy: 0.7110235907496649
Energy: 0.6536781692768598
Energy: 0.6694163067372566
Energy: 0.6300404366446064
Energy: 0.6996326542273106
Energy: 0.6919284147670115
Energy: 0.7389140978652294
Energy: 0.6576236971852066
Energy: 0.7060402673376801
Energy: 0.7486123924548113
Energy: 0.7683298591814173
Energy: 0.642611794042225
Energy: 0.6360930872299402
Energy: 0.7236581569428487
Energy: 0.7618570857197404
Energy: 0.7681665058535254
Energy: 0.6372665035784653
Energy: 0.6355733647492408
Energy: 0.6333386605325152
Energy: 0.6367694373377208
Energy: 0.657267830047172
Energy: 0.6335753478068674
Energy: 0.6376312989187746
Energy: 0.6335473986865868
Energy: 0.647542836444258
Energy: 0.6389073053536437
Energy: 0.6333361802163427
Energy: 0.638636297389127
Energy: 0.6351697520891005
Energy: 0.6340649756751867
Energy: 0.6601017587259843
Energy: 0.6347431591611687
Energy: 0.6356356817183992
Energy: 0.6688879706154477
Energy: 0.6339604469249621
Energy: 0.6665228386302782
Energy: 0.6341647908858827
Energy: 0.6362851867789908
Energy: 0.6946735959508664
Energy: 0.6326070685055161
Energy: 0.6405855101839885
Energy: 0.6726173625536419
Energy: 0.663550809414787
Energy: 0.6826801097694335
Energy: 0.6327882965987914
Energy: 0.6406498594970277
Energy: 0.6727959065681203
Energy: 0.6702247830398969
Energy: 0.6389208486512844
Energy: 0.6375263710648883
Energy: 0.6876097911088871
Energy: 0.7476450920355382
Energy: 0.6358897478946707
Energy: 0.6297568890624446
Energy: 0.6295101120750185
Energy: 0.7032188921208306
Energy: 0.7478726129687161
Energy: 0.6376292167069274
Energy: 0.644137716436727
Energy: 0.6382668942447456
Energy: 0.6411285847832665
Energy: 0.6334427184809271
Energy: 0.6293366354081538
Energy: 0.652324544366079
Energy: 0.6520319574298326
Energy: 0.6451897595536885
Energy: 0.6334260650278464
Energy: 0.6369538914334086
Energy: 0.6393849669341517
Energy: 0.6348462647638137
Energy: 0.6524677545601674
Energy: 0.76324551494352
Energy: 0.6909633244201976
Energy: 0.6315468959400293
Energy: 0.6766496573758798
Energy: 0.6525981481341551
Energy: 0.6571192706622111
Energy: 0.687646394233171
Energy: 0.6590189783169714
Energy: 0.6813442713770436
Energy: 0.6605686379377018
Energy: 0.6643731452743569
Energy: 0.6268045737180614
Energy: 0.6460038797097937
Energy: 0.7045302811883412
Energy: 0.6344777230203122
Energy: 0.6637917433072383
Energy: 0.6285600101762628

minimum gb energy = 0.6265025825745398 eV
minimum distance =  3.10369798431655 Angstroms
sigma value = 437


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

Energy: 0.9050606974142557
Energy: 0.5710550941477304
Energy: 0.6622493587572852
Energy: 0.717736891429557
Energy: 0.5723626663080627
Energy: 0.6303537062698276
Energy: 0.6089421997310885
Energy: 0.6629471120694722
Energy: 0.6382975149749253
Energy: 0.6368294783637478
Energy: 0.5668516019373443
Energy: 0.6681758060009929
Energy: 0.56892876294863
Energy: 0.7095186211688796
Energy: 0.5713728441608097
Energy: 0.5696604259178095
Energy: 0.6710891844475207
Energy: 0.5694420639237955
Energy: 0.6707299726195756
Energy: 0.5714353577029042
Energy: 0.639145432205079
Energy: 0.6478165433852887
Energy: 0.5996130764452013
Energy: 0.5943204694427268
Energy: 0.5703954083867417
Energy: 0.6388125524585117
Energy: 0.6484603808233929
Energy: 0.5998790934443464
Energy: 0.5959773117077429
Energy: 0.5703891956912562
Energy: 0.5728219990184901
Energy: 0.5719442941583867
Energy: 0.6750788727898583
Energy: 0.6386023271015804
Energy: 0.5696348068217904
Energy: 0.5968060446597486
Energy: 0.5943613508992239
Energy: 0.6750641941843041
Energy: 0.6387661793092847
Energy: 0.5997941339955624
Energy: 0.5792389922559182
Energy: 0.6077198422171485
Energy: 0.5759647037548346
Energy: 0.5793277403147976
Energy: 0.6318447377077456
Energy: 0.5789112034950048
Energy: 0.6077633401757121
Energy: 0.5762700200283476
Energy: 0.5789719346151945
Energy: 0.6316071301652584
Energy: 0.5718535601949609
Energy: 0.572093158303647
Energy: 0.6005238810288519
Energy: 0.5790378416129878
Energy: 0.6301704987937923
Energy: 0.6123534932492399
Energy: 0.5721132059842984
Energy: 0.5691515660117926
Energy: 0.5792908101674716
Energy: 0.6307038043960099
Energy: 0.6402059695470576
Energy: 0.6390545234467525
Energy: 0.6385838786791251
Energy: 0.5934162510761095
Energy: 0.5994738545259684
Energy: 0.639535675549545
Energy: 0.6384113577551535
Energy: 0.6385101761778599
Energy: 0.5938074502018114
Energy: 0.600288950927594
Energy: 0.645970951674693
Energy: 0.5710693803693276
Energy: 0.5718975077594386
Energy: 0.5939515596127546
Energy: 0.6674744124030367
Energy: 0.6477579870948731
Energy: 0.5692746495285539
Energy: 0.5723037618393426
Energy: 0.5940519374059963
Energy: 0.6688084759585704
Energy: 0.5956013374326896
Energy: 0.6765512734713031
Energy: 0.6091788991019474
Energy: 0.6008991625734188
Energy: 0.5955172416009922
Energy: 0.5945903485305725
Energy: 0.5988719496556657
Energy: 0.6087913975746505
Energy: 0.5699062933909583
Energy: 0.5940225140588745
Energy: 0.6123024230037867
Energy: 0.6429642781654847
Energy: 0.569481937435153
Energy: 0.646755167494634
Energy: 0.6085221498788745
Energy: 0.5785269458826171
Energy: 0.5749171920247725
Energy: 0.569587737130548
Energy: 0.7098420365292252
Energy: 0.6085133473709544
Energy: 0.5701213399274946
Energy: 0.5695165254825811
Energy: 0.6089329337444201
Energy: 0.6305705925753825
Energy: 0.5754748680363567
Energy: 0.5696107853736808
Energy: 0.5693955224167645
Energy: 0.608441826920267
Energy: 0.6311354197564517
Energy: 0.5723669170080875
Energy: 0.5707474347809626
Energy: 0.5689677286648236
Energy: 0.5689373921451962
Energy: 0.6522081535539964
Energy: 0.5714462432569083
Energy: 0.5694042960783032
Energy: 0.5686252149647071
Energy: 0.5688739920181913
Energy: 0.6730268191689566
Energy: 0.5700449582245581
Energy: 0.5700667044030269
Energy: 0.5721113701390615
Energy: 0.5997744129821915
Energy: 0.6698654675498201
Energy: 0.609363559018944
Energy: 0.5704389533015536
Energy: 0.5722720591531533
Energy: 0.6007434454855454
Energy: 0.66955083022607
Energy: 0.5702553371827778
Energy: 0.5699414471320041
Energy: 0.6112779469297013
Energy: 0.6656805048625586
Energy: 0.5696800645541844
Energy: 0.5734289011262058
Energy: 0.5700517967068423
Energy: 0.6104144184952013
Energy: 0.7341169111398819
Energy: 0.570052589066815
Energy: 0.6103922315361843

minimum gb energy = 0.5668516019373443 eV
minimum distance =  3.19480147877019 Angstroms
sigma value = 33