Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_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=4.939586490392685
cohesive_energy=2.0170550541167356
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=[7.325407918909439e-20, 1.082063635481214e-19, 1.364532182585316e-19, 1.60414731125982e-19, 1.8135357755572798e-19, 1.99796232789702e-19, 2.16168875812548e-19, 2.30782328891262e-19, 2.4387050981440795e-19, 2.55577614479046e-19, 2.660414300757e-19, 2.75367700262214e-19, 2.83646146930092e-19, 2.91056213862342e-19, 2.97586685822526e-19, 3.03272810696592e-19, 3.0816265378356e-19, 3.1229626949928e-19, 3.1571371225960196e-19, 3.18447025597206e-19, 3.20534661751308e-19, 3.2199744901815e-19, 3.22859420047242e-19, 3.2314300531146e-19, 3.2283538739773196e-19, 3.2183562917811597e-19, 3.2000914781535595e-19, 3.1719091911614995e-19, 3.13246360243242e-19, 3.07893488109048e-19, 3.00834297859644e-19, 2.91709901929014e-19, 2.80082906096076e-19, 2.6541658118844e-19, 2.47066852199238e-19, 2.24123682800358e-19, 1.9548958199751e-19, 1.59765048500895e-19, 1.1516109188098858e-19, 5.92106805567576e-20, -1.127808982735182e-20, -1.006019525901672e-19, -2.1478139084750398e-19, -3.6183557102256e-19, -5.539637864419379e-19, -8.08668214655454e-19, -1.152062732620674e-18, -1.62539217342666e-18, -2.2952462023357196e-18, -3.2752656058208395e-18, -4.77153836431344e-18, -7.188758273795578e-18, -1.1407609786444379e-17, -1.96487738040492e-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: 0.004713670429476725
Energy: 0.061139523495544114
Energy: 0.062371113586630965
Energy: 0.06203993476242506
Energy: 0.006552255860614682
Energy: 0.005319981934210182
Energy: 0.06182894480380397
Energy: 0.06282631422395935
Energy: 0.061716028074611455
Energy: 0.006380523142031782
Energy: 0.061087683725157986
Energy: 0.06095312645741185
Energy: 0.06116813250463369
Energy: 0.06265899263033828
Energy: 0.06245868227258328
Energy: 0.06127963047209989
Energy: 0.06108297395964285
Energy: 0.06101438743301429
Energy: 0.06293623842941809
Energy: 0.06200331511836403
Energy: 0.06239060288096387
Energy: 0.004957407784789603
Energy: 0.004919059374287453
Energy: 0.061295520994540956
Energy: 0.06202367621227765
Energy: 0.06209508230418514
Energy: 0.004904651563492169
Energy: 0.004866794075643153
Energy: 0.06114749982905696
Energy: 0.062447349116190494
Energy: 0.06199353556229931
Energy: 0.005256537836361461
Energy: 0.005426160077737838
Energy: 0.06098316789712237
Energy: 0.061214395987442306
Energy: 0.0622945773393225
Energy: 0.005520753746169242
Energy: 0.004984459415010638
Energy: 0.061012321191415954
Energy: 0.061075005996769856
Energy: 0.06175195520006757
Energy: 0.0616356500011757
Energy: 0.06271497668796375
Energy: 0.005659699040246072
Energy: 0.005314386107063289
Energy: 0.061460205724179366
Energy: 0.06204493705063575
Energy: 0.06250024358023099
Energy: 0.004915528936161753
Energy: 0.061133390419532425
Energy: 0.06249102469420714
Energy: 0.061449169741702725
Energy: 0.06170330544237827
Energy: 0.005255253266361068
Energy: 0.005006014172820516
Energy: 0.06101697233219643
Energy: 0.0611414704357712
Energy: 0.06197967106915244
Energy: 0.005555531530479497
Energy: 0.00509631648383032
Energy: 0.005048320006498957
Energy: 0.0629740167654365
Energy: 0.06194807951536504
Energy: 0.061541136959482004
Energy: 0.06331053095631005
Energy: 0.004984785656917626
Energy: 0.061110291997637935
Energy: 0.061659086194299766
Energy: 0.06180396528462436
Energy: 0.06291979733568376

minimum gb energy = 0.004713670429476725 eV
minimum distance =  3.4430384535945 Angstroms
sigma value = 3


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

Energy: 0.5413015067641856
Energy: 0.5070711145410821
Energy: 0.562576176998338
Energy: 0.5079092809381596
Energy: 0.5069377252417023
Energy: 0.5052245313273332
Energy: 0.5086813093169857
Energy: 0.564310059240803
Energy: 0.562873425443475
Energy: 0.5412618034312354
Energy: 0.38224300690203783
Energy: 0.508756376867909
Energy: 0.5676352222699163
Energy: 0.4495818468007672
Energy: 0.3825208013764046
Energy: 0.3824076092994665
Energy: 0.5848219797685786
Energy: 0.5635690360292503
Energy: 0.5089584061931091
Energy: 0.38258355516390147
Energy: 0.38596985942300344
Energy: 0.5518518702982468
Energy: 0.4774909562022214
Energy: 0.38190476865319517
Energy: 0.3823494705725365
Energy: 0.381759493963094
Energy: 0.5519417158361857
Energy: 0.47735252771583975
Energy: 0.3818766448041593
Energy: 0.38205607375893524
Energy: 0.3818946793671247
Energy: 0.5636098295732084
Energy: 0.5399006184696626
Energy: 0.3817684226984978
Energy: 0.3823660961186475
Energy: 0.3818700250446985
Energy: 0.560050001400926
Energy: 0.47482462492716254
Energy: 0.38510343315732914
Energy: 0.38215396194743223
Energy: 0.44840772673045187
Energy: 0.5427847995838581
Energy: 0.5086795918261017
Energy: 0.44834101404235516
Energy: 0.3825464572122538
Energy: 0.5076418877748526
Energy: 0.5427066805779523
Energy: 0.5086651134979616
Energy: 0.3823395046669337
Energy: 0.38509922237546823
Energy: 0.5435121804962231
Energy: 0.5436922226323563
Energy: 0.4484904414103853
Energy: 0.38272877268951794
Energy: 0.38201254595211676
Energy: 0.5435684822053074
Energy: 0.54348327989039
Energy: 0.45767953786285076
Energy: 0.38245000357543396
Energy: 0.45690645627050297
Energy: 0.5625687702782363
Energy: 0.562723292326067
Energy: 0.4565648203001348
Energy: 0.3854735475234873
Energy: 0.5640865137579093
Energy: 0.5626372752588195
Energy: 0.5073491246955091
Energy: 0.3827786939423565
Energy: 0.3823718009686846
Energy: 0.5083875502577555
Energy: 0.5623456357072097
Energy: 0.5080886528526141
Energy: 0.5425005524199518
Energy: 0.5409912372505153
Energy: 0.5630911170143279
Energy: 0.5653984295692749
Energy: 0.5078737145088474
Energy: 0.5076140657576169
Energy: 0.5071182739298741
Energy: 0.5078128222054777
Energy: 0.6471213125902283
Energy: 0.5091001596324177
Energy: 0.3855662573381227
Energy: 0.448328278285542
Energy: 0.5082107013746149
Energy: 0.5649038240956565
Energy: 0.448121707420559
Energy: 0.3831827267519567
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Energy: 0.5079012197324488
Energy: 0.47549114174090257
Energy: 0.38172384470482895
Energy: 0.382812914312333
Energy: 0.4570421363426641
Energy: 0.47463115579620596
Energy: 0.4575234612097826
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Energy: 0.45624880724129163
Energy: 0.474852236493121
Energy: 0.44906678729477845
Energy: 0.3864136804475607
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Energy: 0.3818478467593786
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Energy: 0.47474554069811425
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Energy: 0.38249573604218745
Energy: 0.4578032526392578
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Energy: 0.5641204054797032
Energy: 0.38191663059895536
Energy: 0.3827443060666635
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Energy: 0.5645428312760619
Energy: 0.5612350771851041
Energy: 0.45721134032354255
Energy: 0.3820418856237552
Energy: 0.45770953924162944
Energy: 0.5455438656573298
Energy: 0.5437368584357548
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Energy: 0.4560735178514899
Energy: 0.5432582820099756
Energy: 0.5438443630402756
Energy: 0.3823454106870254
Energy: 0.38274197357031675
Energy: 0.5636618882243869
Energy: 0.5695289412065124
Energy: 0.44789554307662527
Energy: 0.38242212328817526
Energy: 0.3830742145486903
Energy: 0.5626284797549774
Energy: 0.5638967905084837
Energy: 0.5082486724628658
Energy: 0.5194414580465564
Energy: 0.5072248736403805
Energy: 0.5635593752093435
Energy: 0.5627397024766483
Energy: 0.5418462868158821
Energy: 0.5406037263205216
Energy: 0.5084085666524224
Energy: 0.5625548292281571
Energy: 0.5077290984829407
Energy: 0.5069351390301448
Energy: 0.3821985249494415
Energy: 0.5847569626720486
Energy: 0.5625916971493476
Energy: 0.5639939545143549
Energy: 0.38320500393684304
Energy: 0.4853799068756671
Energy: 0.5630951044898689
Energy: 0.5664746674488708
Energy: 0.508049259992993
Energy: 0.3822719695206498
Energy: 0.38166537569099357
Energy: 0.47507209858927835
Energy: 0.4782174279062728
Energy: 0.3817005729179705
Energy: 0.38240406806066235
Energy: 0.3849217946154505
Energy: 0.4759803312019413
Energy: 0.4757516231212182
Energy: 0.38172342435302675
Energy: 0.38237426009336073
Energy: 0.3818521475961026
Energy: 0.4809128713231543
Energy: 0.47604723848721986
Energy: 0.45719847279080056
Energy: 0.4855540429611936
Energy: 0.38186855719355267
Energy: 0.4791863612644662
Energy: 0.4749915255710401
Energy: 0.38179149108877797
Energy: 0.4856338383125816
Energy: 0.5078948714426699
Energy: 0.5645526271760825
Energy: 0.5086085280944851
Energy: 0.3823317071143489
Energy: 0.38665565238611715
Energy: 0.447730757183619
Energy: 0.5653222008398697
Energy: 0.45649621133662227
Energy: 0.3824015172048687
Energy: 0.38245328200748024
Energy: 0.5430496232203994
Energy: 0.5450645979211147
Energy: 0.45623182497001974
Energy: 0.3827452267194871
Energy: 0.45692643994558774
Energy: 0.5448926290239514
Energy: 0.5446885784149716
Energy: 0.5077102786659141
Energy: 0.5516223855991126
Energy: 0.4568361688790424
Energy: 0.5627568262263161
Energy: 0.5111099274161556
Energy: 0.4480033357973295
Energy: 0.38251836538940215
Energy: 0.5087614751193402
Energy: 0.5655912617107334
Energy: 0.5623146662536043
Energy: 0.3850971180288049
Energy: 0.38590128219698966
Energy: 0.5639570590617489
Energy: 0.5649683545078237
Energy: 0.5077264361965308
Energy: 0.5071483866063995
Energy: 0.3816767485649135
Energy: 0.5078930977144388
Energy: 0.5629345074845262
Energy: 0.508134837587638
Energy: 0.5070977768093846
Energy: 0.5022677249268186
Energy: 0.5637721301862793
Energy: 0.5646669720919338
Energy: 0.4482241639493605
Energy: 0.3827137438915062
Energy: 0.3816197149825001
Energy: 0.5077620877057833
Energy: 0.5661693282201394
Energy: 0.5098047276934397
Energy: 0.4855053010473295
Energy: 0.381825616994237
Energy: 0.5081635521434116
Energy: 0.5103099093812835
Energy: 0.3817230094094597
Energy: 0.3825307189048165
Energy: 0.38498870801829077
Energy: 0.47463255010269023
Energy: 0.4560876653502133
Energy: 0.3817059046467573
Energy: 0.3857702403264825
Energy: 0.4482514271674309
Energy: 0.4746147126149635
Energy: 0.3850909787696157
Energy: 0.3817623053386262
Energy: 0.38294729886139534
Energy: 0.45617319185531774
Energy: 0.47472529668584634
Energy: 0.44860179699624875
Energy: 0.38642417414463764
Energy: 0.38332030923207705
Energy: 0.457786925157831
Energy: 0.4746033359262241
Energy: 0.3818045124698396
Energy: 0.38204776999588985
Energy: 0.3837691588974731
Energy: 0.5637839399466668
Energy: 0.5604282368016846
Energy: 0.3818832181582135
Energy: 0.38567833050813805
Energy: 0.3822018143642217
Energy: 0.5624661761709726
Energy: 0.5629436067412841
Energy: 0.5072871150754259
Energy: 0.5515887123927539
Energy: 0.45610151701855156
Energy: 0.5449499599293284
Energy: 0.5448572067768856
Energy: 0.45766173112086905
Energy: 0.3821748893739653
Energy: 0.4561486887262709
Energy: 0.544987953616362
Energy: 0.5429485265146501
Energy: 0.38243547089185875
Energy: 0.38289642602234714
Energy: 0.5626820965153566
Energy: 0.5645809965615243
Energy: 0.5081307383948642
Energy: 0.3823724927228806
Energy: 0.38258318114320095
Energy: 0.5639217057125354
Energy: 0.5673479636691511
Energy: 0.44901083603935643
Energy: 0.5420469825242856
Energy: 0.5074510994323936
Energy: 0.562435272120721
Energy: 0.5083223512727005
Energy: 0.50697370586943
Energy: 0.5051621939803265
Energy: 0.5088168482873782
Energy: 0.5629071200121222
Energy: 0.5632566466296774
Energy: 0.5419936611305846

minimum gb energy = 0.3816197149825001 eV
minimum distance =  3.11088749859968 Angstroms
sigma value = 75


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

Energy: 1.2069315900427868
Energy: 0.5872794221919905
Energy: 0.520118520147786
Energy: 0.6013971096305056
Energy: 0.5713871459776556
Energy: 0.6024618368283363
Energy: 0.6019067957399992
Energy: 0.5328749330519978
Energy: 0.6015124922995371
Energy: 0.5757780309195087
Energy: 0.5292779109034365
Energy: 0.5365747721659428
Energy: 0.5332345601995724
Energy: 0.5185253091216945
Energy: 0.5467129348367558
Energy: 0.5586922637175668
Energy: 0.5164203043386936
Energy: 0.5306790457072696
Energy: 0.5319550786955091
Energy: 0.5473006468424004
Energy: 0.5622543421747933
Energy: 0.6183769707155153
Energy: 0.6178017206514012
Energy: 0.5657552328558518
Energy: 0.5537487880378574
Energy: 0.5428253107651031
Energy: 0.6183036600639819
Energy: 0.6177825726326849
Energy: 0.5588940592588901
Energy: 0.5086468783231233
Energy: 0.5548438573518882
Energy: 0.5209028096172258
Energy: 0.5307500861013674
Energy: 0.5431298152535792
Energy: 0.5091927459002745
Energy: 0.5553108536497471
Energy: 0.5403574646796647
Energy: 0.5166247371922909
Energy: 0.5664942800352749
Energy: 0.5418438723868584
Energy: 0.5439231253003796
Energy: 0.5126485684859812
Energy: 0.620536051822478
Energy: 0.6303864066047717
Energy: 0.5359721178744564
Energy: 0.5527374981082633
Energy: 0.5156275878352972
Energy: 0.5992666489333885
Energy: 0.6203266086728945
Energy: 0.6200857922277935
Energy: 0.6129600419109271
Energy: 0.6037048151823955
Energy: 0.6186728501317339
Energy: 0.5386348241264263
Energy: 0.619692617919228
Energy: 0.6055533364511635
Energy: 0.6087702562803471
Energy: 0.6302057232512703
Energy: 0.5530747825726527
Energy: 0.6358537595465448
Energy: 0.5407320251010961
Energy: 0.5489122339436854
Energy: 0.5376498895402992
Energy: 0.5250447950026436
Energy: 0.5359051826570707
Energy: 0.5201867421274837
Energy: 0.5263312895007456
Energy: 0.531832629548634
Energy: 0.5397196021388027
Energy: 0.5474124654881124
Energy: 0.508541580622635
Energy: 0.5588505294746478
Energy: 0.6180921437763116
Energy: 0.6180043228565655
Energy: 0.5700640732278365
Energy: 0.5077728868468027
Energy: 0.554287877612416
Energy: 0.6181095903312288
Energy: 0.6180281288369041
Energy: 0.5647777789430304
Energy: 0.5088828005551523
Energy: 0.5602409273093822
Energy: 0.5258299756995541
Energy: 0.5372595112659531
Energy: 0.5199644587548556
Energy: 0.5446581645185167
Energy: 0.5435461300321106
Energy: 0.5221810355785732
Energy: 0.5310878411659024
Energy: 0.5314605558093193
Energy: 0.6261433268329166
Energy: 0.5507466028553658
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Energy: 0.6136891691727837
Energy: 0.6337302634001468
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Energy: 0.5393208655404507
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Energy: 0.5472030880868775
Energy: 0.6084306664296774
Energy: 0.6049215683077451
Energy: 0.5381797266073391
Energy: 0.5488148337357459
Energy: 0.5484036780950786
Energy: 0.5168360144098254
Energy: 0.6009016811845815
Energy: 0.5271532554784768
Energy: 0.565309410875888
Energy: 0.5524339167734118
Energy: 0.54223466947726
Energy: 0.5393639411258256
Energy: 0.5331959899439794
Energy: 0.5098900082812746
Energy: 0.5267017343445749
Energy: 0.5211719086664904
Energy: 0.567961810011103
Energy: 0.5072025660851766
Energy: 0.5674106502787739
Energy: 0.5393358693072382
Energy: 0.5255176882548916
Energy: 0.5534755867084731
Energy: 0.6178575599155318
Energy: 0.5530448264306581
Energy: 0.5395386592506178
Energy: 0.5324713618292308
Energy: 0.5459129763037359
Energy: 0.5420996850098635
Energy: 0.5501591130633384
Energy: 0.5338889021390529
Energy: 0.542432260694021
Energy: 0.5684165096464572
Energy: 0.5306087365657014
Energy: 0.5281834172490057
Energy: 0.523211854898944
Energy: 0.5172561070288456
Energy: 0.5397025577930239
Energy: 0.5075713601332784
Energy: 0.5371640940076075
Energy: 0.626714911125752
Energy: 0.6191269547839854
Energy: 0.6134233397755291
Energy: 0.5182641029206962
Energy: 0.6018660177563337
Energy: 0.6194183945393665
Energy: 0.6180107005747296
Energy: 0.6105360239153665
Energy: 0.5301263906416508
Energy: 0.5959234625303159
Energy: 0.5439389923215023
Energy: 0.5243672190349535
Energy: 0.5321670972699465
Energy: 0.6110114733417576
Energy: 0.5310526600059665
Energy: 0.5419565482986735
Energy: 0.5306158345228538
Energy: 0.50963740365318
Energy: 0.6089148864246049
Energy: 0.5204166431788873
Energy: 0.5746153930945688
Energy: 0.5206630251828134
Energy: 0.5072420752216533
Energy: 0.541375368654533
Energy: 0.5076632488533008
Energy: 0.5518541391711728
Energy: 0.49900995647861285
Energy: 0.5069708029287695
Energy: 0.5252346932558389
Energy: 0.5061583583768893
Energy: 0.553976267579763
Energy: 0.5491057098692751
Energy: 0.5491536154548798
Energy: 0.5676813431578306
Energy: 0.5069603323144541
Energy: 0.5429356529928797
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Energy: 0.5491348378251265
Energy: 0.5424934515326634
Energy: 0.5445096009844922
Energy: 0.5377548740154072
Energy: 0.5445344637004956
Energy: 0.5302744506734561
Energy: 0.5469410974013
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minimum gb energy = 0.49900995647861285 eV
minimum distance =  3.16907106083905 Angstroms
sigma value = 105


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

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Energy: 0.55210182571295
Energy: 0.617179872236694
Energy: 0.5448195083453662
Energy: 0.5268265765767927
Energy: 0.6016036103537611
Energy: 0.5638404665332251
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Energy: 0.5654331899642483
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Energy: 0.6327815731902594
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Energy: 0.6043003225724224
Energy: 0.5481355769727281
Energy: 0.5862741204160504
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Energy: 0.5613008526749402
Energy: 0.5933003899573545
Energy: 0.571706863683831
Energy: 0.5763689639207552
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Energy: 0.5364596053953192
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Energy: 0.5354991042483772
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Energy: 0.5270782149371349
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Energy: 0.5782036795063301
Energy: 0.5251176117794446
Energy: 0.5594220140465039
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Energy: 0.5433567682838896
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Energy: 0.5752769408798771
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Energy: 0.5967481896818855
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Energy: 0.5788567238672727
Energy: 0.5554514962633588
Energy: 0.6287743565247688
Energy: 0.583515154193828
Energy: 0.6195636378152937
Energy: 0.5595983200267142
Energy: 0.6225280030849689
Energy: 0.6157725391974876
Energy: 0.5675740304734419
Energy: 0.626941664091259
Energy: 0.5593603923180652
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Energy: 0.554623840197823
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Energy: 0.5737554497380206
Energy: 0.5410282937172827
Energy: 0.5945848659230264
Energy: 0.5568830733756581
Energy: 0.5501158655622737
Energy: 0.5519512951197977
Energy: 0.5437092140787789
Energy: 0.5457936327302293
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Energy: 0.5396908526634813
Energy: 0.6004589889945112
Energy: 0.5456887442529899
Energy: 0.5554351912876595
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Energy: 0.5557361078291818
Energy: 0.5746768267348967
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Energy: 0.5396739338174479
Energy: 0.5536896857690996
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Energy: 0.573898552790447
Energy: 0.5548965268614036
Energy: 0.5562230990234455
Energy: 0.5545154936797739
Energy: 0.5853794268764623
Energy: 0.5948563446553768
Energy: 0.5239584629466049
Energy: 0.5519246165788865
Energy: 0.5748230746054169
Energy: 0.5630444109775561
Energy: 0.6324843858232643
Energy: 0.5699512919328865
Energy: 0.5633758023881541
Energy: 0.5747498815036093
Energy: 0.5738733073472596
Energy: 0.5507181788052457
Energy: 0.5521189321815263
Energy: 0.6343914790730616
Energy: 0.5391604704024583
Energy: 0.6213270255665511
Energy: 0.5300602535393778
Energy: 0.5740578107001302
Energy: 0.6301843837978911
Energy: 0.5390341766617437
Energy: 0.6212917094776959
Energy: 0.5563101828472599
Energy: 0.5825723714885214
Energy: 0.571931908371169
Energy: 0.534916166767679
Energy: 0.5730926707647573
Energy: 0.5318214917026383
Energy: 0.582429171845059
Energy: 0.5730041132719575
Energy: 0.5428977390723881
Energy: 0.5799488960298967
Energy: 0.6141432188316281
Energy: 0.5624966719118605
Energy: 0.5718548406957297
Energy: 0.5407592675584217
Energy: 0.5951913582466554
Energy: 0.5999104158987891
Energy: 0.561787670600375
Energy: 0.5731090084380882
Energy: 0.5558139157450336
Energy: 0.595127179379435
Energy: 0.5928831938340662
Energy: 0.5779722428901495
Energy: 0.5395424418961858
Energy: 0.5716233383142566
Energy: 0.5812745405686719
Energy: 0.5778145902799321
Energy: 0.5740222881476242
Energy: 0.5170059280966001
Energy: 0.5728103913597673
Energy: 0.5865403735952819
Energy: 0.5742550394034024
Energy: 0.5764229337499267
Energy: 0.5762576424529404
Energy: 0.5606413689387825
Energy: 0.572825188643929
Energy: 0.5620144513108366
Energy: 0.5472179589600944
Energy: 0.5472694291516659
Energy: 0.5719032041835473
Energy: 0.5251260764586642
Energy: 0.579679741765275
Energy: 0.5740992265002592
Energy: 0.5783697129515185
Energy: 0.5637935792455476
Energy: 0.5253959112398454
Energy: 0.5608283457720264
Energy: 0.5213631326321136
Energy: 0.5742750862186002
Energy: 0.5740335512862684
Energy: 0.5666335008666752
Energy: 0.593431522742914
Energy: 0.5358362370251318
Energy: 0.5480861216120264
Energy: 0.5803961422801818
Energy: 0.5618721930743358
Energy: 0.6058094381374531
Energy: 0.5364098570865476
Energy: 0.5488222598584842
Energy: 0.5929127352688613
Energy: 0.5639652596733049
Energy: 0.5905297872899218
Energy: 0.5948437961072263
Energy: 0.5788461691857956
Energy: 0.5749172640548309
Energy: 0.5906897809278063
Energy: 0.6217024137210911
Energy: 0.5950082759405068
Energy: 0.5923674485837163
Energy: 0.5928723200688831
Energy: 0.5936267223225018
Energy: 0.5786184044457128
Energy: 0.5699949321525505
Energy: 0.5343009118737064
Energy: 0.5158542385769977
Energy: 0.5792137427291268
Energy: 0.522443302785539
Energy: 0.5548952129305366
Energy: 0.5160927680008505
Energy: 0.5153478980067463
Energy: 0.5945170810901464
Energy: 0.5243699605558831
Energy: 0.5153561872296186
Energy: 0.5155538384966948
Energy: 0.5150975616481255
Energy: 0.511992513293179
Energy: 0.5091246891058535
Energy: 0.5152042135371271
Energy: 0.5347210219904042
Energy: 0.5152452614199999
Energy: 0.5796255329551

minimum gb energy = 0.5091246891058535 eV
minimum distance =  3.10774486648474 Angstroms
sigma value = 165


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

Energy: 0.7565796185755694
Energy: 0.5213526687154973
Energy: 0.5210065538094805
Energy: 0.5217465167494014
Energy: 0.5162710891980667
Energy: 0.5842540267349345
Energy: 0.5213906074618431
Energy: 0.5210151424842955
Energy: 0.5221241543200487
Energy: 0.5162946224290579
Energy: 0.5564306910747735
Energy: 0.556604282680209
Energy: 0.5209701729137884
Energy: 0.5582466922822261
Energy: 0.557620344493549
Energy: 0.5562487859013338
Energy: 0.5568310542517568
Energy: 0.5570261267969175
Energy: 0.5580877594602471
Energy: 0.5568382761204036
Energy: 0.5214627663731761
Energy: 0.5936450148960347
Energy: 0.5570873370374788
Energy: 0.5211127990210788
Energy: 0.5900408740835174
Energy: 0.5213693858940952
Energy: 0.5598291973749154
Energy: 0.5591604246473345
Energy: 0.521041819224807
Energy: 0.590171276416282
Energy: 0.5873405968306442
Energy: 0.5584147516874665
Energy: 0.5590366463713815
Energy: 0.5209378415931766
Energy: 0.515751162821193
Energy: 0.5590531174425084
Energy: 0.5568428357226467
Energy: 0.5590601299772964
Energy: 0.521025579359195
Energy: 0.5903230743873201
Energy: 0.5567871037182017
Energy: 0.5568415010985389
Energy: 0.5578075761016386
Energy: 0.556880028945092
Energy: 0.5217221930991436
Energy: 0.5597154113352882
Energy: 0.5195752026281616
Energy: 0.5576459353838623
Energy: 0.5573038125120788
Energy: 0.5222368486262879
Energy: 0.5195042148000422
Energy: 0.5196322703205073
Energy: 0.5594376531354004
Energy: 0.5159978216664562
Energy: 0.5218704369229994
Energy: 0.5196725043744455
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Energy: 0.5218251757843553
Energy: 0.5165868993109239
Energy: 0.5218820066674166
Energy: 0.5575536305952528
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Energy: 0.5220426426817042
Energy: 0.5593313407773938
Energy: 0.5581635326084154
Energy: 0.5559872992921494
Energy: 0.5215165043003115
Energy: 0.5220804695972598
Energy: 0.5669205848615388
Energy: 0.5216081328450508
Energy: 0.5606148603521627
Energy: 0.5587911809592324
Energy: 0.5565447875260932
Energy: 0.5157856120247682
Energy: 0.5216530272935445
Energy: 0.5598698467833079
Energy: 0.5595901561408063
Energy: 0.5161348398826787
Energy: 0.5155831387183175
Energy: 0.5568243118135902
Energy: 0.5207264395352956
Energy: 0.5565527506163076
Energy: 0.5218242944734864
Energy: 0.5157775096831472
Energy: 0.5220187863222613
Energy: 0.52089121177626
Energy: 0.5563215743585614
Energy: 0.5162451089650032
Energy: 0.5947882235373941
Energy: 0.5214861328354121
Energy: 0.5576593321169319
Energy: 0.5591909247489728
Energy: 0.5561643067061259
Energy: 0.5947758480286077
Energy: 0.5578552236221659
Energy: 0.5575664613067806
Energy: 0.5595378405986672
Energy: 0.5566006085242402
Energy: 0.5159062144854071
Energy: 0.5208476562375822
Energy: 0.5214384909075442
Energy: 0.5590424175044397
Energy: 0.5912627997405988
Energy: 0.5217464932653583
Energy: 0.5208649706892362
Energy: 0.5210687551592503
Energy: 0.5932718075371775
Energy: 0.5158343494502861
Energy: 0.5217572490889046
Energy: 0.5574557505233434
Energy: 0.5597527547505271
Energy: 0.5600453702929366
Energy: 0.5156723392840024
Energy: 0.5213248394820529
Energy: 0.5566109155480197
Energy: 0.5597175715737878
Energy: 0.5594863118727337
Energy: 0.5653402333798934
Energy: 0.5891230184941104
Energy: 0.519583681474687
Energy: 0.5218132441998511
Energy: 0.5562468205586375
Energy: 0.5214171155926665
Energy: 0.5891111756002425
Energy: 0.5193744157152383
Energy: 0.521694348359053
Energy: 0.5567026355757827
Energy: 0.5214569723743673
Energy: 0.5605102998744218
Energy: 0.5568166962778849
Energy: 0.5218624568513155
Energy: 0.5161521754189605
Energy: 0.5565491779795025
Energy: 0.5972937813666261
Energy: 0.5566663722080101
Energy: 0.5217236728938902
Energy: 0.5167134205575765
Energy: 0.5570036821626626
Energy: 0.5160403594155427
Energy: 0.561256624026154
Energy: 0.5221018475118102
Energy: 0.521093587537018
Energy: 0.5565239079371533
Energy: 0.5159387891350714
Energy: 0.5591092624005589
Energy: 0.558585786828658
Energy: 0.5211249612246776
Energy: 0.5562829863383054

minimum gb energy = 0.5155831387183175 eV
minimum distance =  3.1243078938479 Angstroms
sigma value = 41


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

Energy: 0.4988435425081417
Energy: 0.4637228421417378
Energy: 0.46477311621112377
Energy: 0.4630108037042418
Energy: 0.4634281772039751
Energy: 0.4982035950168978
Energy: 0.46340938068211807
Energy: 0.465095645900266
Energy: 0.4655403748255196
Energy: 0.49036242810983105
Energy: 0.5209494297758689
Energy: 0.4811423744946361
Energy: 0.4787882308951886
Energy: 0.47843295045957357
Energy: 0.5052560552493438
Energy: 0.5132247309816872
Energy: 0.46301177621580686
Energy: 0.4804281311493147
Energy: 0.4818198991269113
Energy: 0.5109596877372353
Energy: 0.4972185739689125
Energy: 0.5127384514431201
Energy: 0.5158596701794094
Energy: 0.49003025211883267
Energy: 0.5084161904925001
Energy: 0.49823176608283365
Energy: 0.49387650125879995
Energy: 0.49360510288495085
Energy: 0.49176876805648384
Energy: 0.5193794545193717
Energy: 0.5048986981426824
Energy: 0.4786511131480367
Energy: 0.5134451841688913
Energy: 0.4904121037606932
Energy: 0.5108564483060384
Energy: 0.5046520462024906
Energy: 0.4799830139737619
Energy: 0.4958239513014429
Energy: 0.490571602899733
Energy: 0.5058666858506824
Energy: 0.5233742109338794
Energy: 0.4967313108482531
Energy: 0.5160499826313399
Energy: 0.5120631667412088
Energy: 0.5086611479663492
Energy: 0.49004300783942695
Energy: 0.49753688663212753
Energy: 0.4962164730135207
Energy: 0.5207150622624688
Energy: 0.5269352225652272
Energy: 0.5096551110879342
Energy: 0.4581218565176711
Energy: 0.5201983603230983
Energy: 0.47212173765606374
Energy: 0.5241997543461381
Energy: 0.5210332079217457
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Energy: 0.5330612392515757
Energy: 0.47193363749983136
Energy: 0.5210369212850929
Energy: 0.510366427731927
Energy: 0.5232820415950389
Energy: 0.5216234411442843
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Energy: 0.5209591348367575
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Energy: 0.508693138749108
Energy: 0.47480596955503257
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Energy: 0.48672274720763836
Energy: 0.48850704512045573
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Energy: 0.4821981621893889
Energy: 0.4990328595198901
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Energy: 0.5237179028739546
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Energy: 0.45907884828855366
Energy: 0.47288948320500973
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Energy: 0.4755633160323929
Energy: 0.5131215492469666
Energy: 0.4905433322580234
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Energy: 0.4842618773486569
Energy: 0.47481404147038314
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Energy: 0.4706930876391186
Energy: 0.477154416786927
Energy: 0.47414970767678627
Energy: 0.5198893586854978
Energy: 0.47973669546989395
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Energy: 0.4734962583513263
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Energy: 0.4820475720939811
Energy: 0.4799669978136218
Energy: 0.4746268180101492
Energy: 0.47331944279048027
Energy: 0.5279261639399214
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Energy: 0.4749336676608895
Energy: 0.489015512856585
Energy: 0.4709846380071548
Energy: 0.4813755605373385
Energy: 0.5171742942967336
Energy: 0.47636928124700045
Energy: 0.48943333773468806
Energy: 0.4728767741534579
Energy: 0.4813552066468017
Energy: 0.5093866851199943
Energy: 0.4736765479763089
Energy: 0.49162627950811294
Energy: 0.4799494058544777
Energy: 0.5375391276380889
Energy: 0.5057320500925708
Energy: 0.4714515678514191
Energy: 0.4907323073689999
Energy: 0.47957514046474087
Energy: 0.5142362087240215
Energy: 0.5059640711798058
Energy: 0.4823011148066209
Energy: 0.511128525997941
Energy: 0.514820940435745
Energy: 0.4966760645114307
Energy: 0.5101864270139892
Energy: 0.5026357877147719
Energy: 0.5091888306533624
Energy: 0.5078416150324543
Energy: 0.4972965877899174
Energy: 0.5108083452351111
Energy: 0.5062567753448133
Energy: 0.5062814464694702
Energy: 0.5175579469225692
Energy: 0.5070523612027558
Energy: 0.523695835774618
Energy: 0.5065302896022628
Energy: 0.5060336236959115
Energy: 0.5094793647591928
Energy: 0.5143507150510218
Energy: 0.5046916325998161
Energy: 0.5148457091403938
Energy: 0.5201000760670823
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Energy: 0.5193253433574442
Energy: 0.46890735104548936
Energy: 0.5154562472831741
Energy: 0.5192283854559308
Energy: 0.5016934418170573
Energy: 0.5162306680782321
Energy: 0.4591931384935466
Energy: 0.5127557766114214
Energy: 0.514973787989788
Energy: 0.5201894204639329
Energy: 0.5223603073444983
Energy: 0.5339821694102743
Energy: 0.5194678735816296
Energy: 0.517645181251828
Energy: 0.5190927191376485
Energy: 0.5227958881522232
Energy: 0.492883731984703
Energy: 0.5215361851341433
Energy: 0.5136487062934658
Energy: 0.4807191850786516
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Energy: 0.5157839339047321
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Energy: 0.48608570467541795
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Energy: 0.49057624774692504
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Energy: 0.49005328598127945
Energy: 0.46244411233262395
Energy: 0.46361818698235147
Energy: 0.48089893477133716
Energy: 0.48216776758140323
Energy: 0.5164450650959668
Energy: 0.47643232815996656
Energy: 0.4823595993767577
Energy: 0.47446931859826297
Energy: 0.45903534324444994
Energy: 0.48857838344587734
Energy: 0.46667962079397673
Energy: 0.4654488810726013
Energy: 0.4639303489939466
Energy: 0.45886833933677035
Energy: 0.4893307832464713
Energy: 0.4634135460349667
Energy: 0.4818980554157761
Energy: 0.4655488396844757
Energy: 0.49883886686009266
Energy: 0.5305242953644844
Energy: 0.47883512104951353
Energy: 0.46388451155539634
Energy: 0.4658228102927788
Energy: 0.5074796224214123
Energy: 0.512601359000749
Energy: 0.48061304095898766
Energy: 0.4643406228056225
Energy: 0.46386332317089723
Energy: 0.5120572484917406
Energy: 0.46349392547198603
Energy: 0.4815591830923174
Energy: 0.4815881690735402
Energy: 0.4642763003349041
Energy: 0.5104540743498852
Energy: 0.46320418021352167
Energy: 0.47930337952439006
Energy: 0.4780197422506972
Energy: 0.4712600945415925

minimum gb energy = 0.4579609742427382 eV
minimum distance =  3.11640075911883 Angstroms
sigma value = 185


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

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Energy: 0.3844663304336275
Energy: 0.39430579174194585
Energy: 0.3750707935454021
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Energy: 0.40330464647979797
Energy: 0.37803017790443255
Energy: 0.24296914241647152
Energy: 0.38465690201806224
Energy: 0.38739649492293515
Energy: 0.3801840259486133
Energy: 0.24361882329984427
Energy: 0.24513896082538236
Energy: 0.38264310642498983
Energy: 0.37912943189506704
Energy: 0.3942022368771878
Energy: 0.24255619119128685
Energy: 0.24552335431950523
Energy: 0.3950847618320289
Energy: 0.3975962705754067
Energy: 0.37580980506861267
Energy: 0.41335184752657683
Energy: 0.398618422822623
Energy: 0.3824648332899854
Energy: 0.3774465938861422
Energy: 0.38110376579585453
Energy: 0.3766907124042358
Energy: 0.38465385255519813
Energy: 0.39248412159240365
Energy: 0.38080956261021126
Energy: 0.38505784228170675
Energy: 0.3213257814386056
Energy: 0.3783317272122225
Energy: 0.397284678095817
Energy: 0.38701389548954795
Energy: 0.3779923475073887
Energy: 0.21339109616037188
Energy: 0.37914115393098763
Energy: 0.3748276404588435
Energy: 0.386701168430756
Energy: 0.32139595908946716

minimum gb energy = 0.21339109616037188 eV
minimum distance =  3.2819294441618 Angstroms
sigma value = 33


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

Energy: 0.4546462735499513
Energy: 0.4419922951447039
Energy: 0.44287007666619305
Energy: 0.4488488943028496
Energy: 0.43781687066814107
Energy: 0.43851462757489745
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Energy: 0.4407212184182206
Energy: 0.44191795376758214
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Energy: 0.45032314015080094

minimum gb energy = 0.43445637414651045 eV
minimum distance =  3.18043537157989 Angstroms
sigma value = 219


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

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Energy: 0.5865823765588138
Energy: 0.582936422502092
Energy: 0.5971840890514801
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Energy: 0.5994649057963328
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Energy: 0.6025322594503478
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Energy: 0.5988851064412531
Energy: 0.6012112728428177
Energy: 0.5960588873074388
Energy: 0.5833392033794116
Energy: 0.5819210561101176
Energy: 0.5985750799913634

minimum gb energy = 0.5711861475727554 eV
minimum distance =  3.17885628546888 Angstroms
sigma value = 15


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

Energy: 0.6562191848425772
Energy: 0.6671020883013682
Energy: 0.6923459210472923
Energy: 0.6665504048378058
Energy: 0.6720820392021466
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Energy: 0.6605640588822531
Energy: 0.6657328637146167
Energy: 0.6612029665245722
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minimum gb energy = 0.6456095978995204 eV
minimum distance =  3.15958926121384 Angstroms
sigma value = 293


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

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Energy: 0.6682769275428498
Energy: 0.6816185014813639
Energy: 0.6906501491430966
Energy: 0.6757611689712774
Energy: 0.6836631097573569
Energy: 0.6723302507041392
Energy: 0.6812377171424472
Energy: 0.6905342155528329
Energy: 0.6724608690150903
Energy: 0.6957562199361741
Energy: 0.7172408859652055
Energy: 0.6641112630985643
Energy: 0.692819680618569
Energy: 0.6671065394831673
Energy: 0.6996381393692102
Energy: 0.7144917100819572
Energy: 0.6646348944113061
Energy: 0.6731227120711145
Energy: 0.6897268030953869
Energy: 0.6997142855527819
Energy: 0.665341854108601
Energy: 0.6626703382872906
Energy: 0.6921455463379252
Energy: 0.665831260121741
Energy: 0.6997294099450645
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Energy: 0.6565779167196211
Energy: 0.6999323955989069
Energy: 0.6458856544519794
Energy: 0.6879869335823706
Energy: 0.6555401064328371
Energy: 0.6643853772544686
Energy: 0.6681807681104744
Energy: 0.6445922923460621
Energy: 0.6887798592855208
Energy: 0.6585793913453637
Energy: 0.6659301850224981
Energy: 0.6664621666312612
Energy: 0.6729816581472811
Energy: 0.6639984872417212
Energy: 0.6675253547502733
Energy: 0.6620703671021856
Energy: 0.6649082589292756
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Energy: 0.6637694412173378
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Energy: 0.6630470279698569
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Energy: 0.6891409346507225
Energy: 0.6670564533180943
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Energy: 0.6662710084088034
Energy: 0.6636815491501393
Energy: 0.6647261212494812
Energy: 0.6744186551181938
Energy: 0.6688495451814553
Energy: 0.6702874854614724
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Energy: 0.6656966071892672
Energy: 0.6668174915843678
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Energy: 0.6696778809016781
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Energy: 0.6611109603458444
Energy: 0.6607578396230719
Energy: 0.6730459690404351
Energy: 0.6646666548099479
Energy: 0.6735793963496488
Energy: 0.6614826495360399
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Energy: 0.6721998076437712
Energy: 0.6648660888906819
Energy: 0.681250096382249
Energy: 0.6592293871445217
Energy: 0.6653617502749042
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Energy: 0.6898671360553079
Energy: 0.665517366470723
Energy: 0.6838241079446633
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Energy: 0.6790880483227435
Energy: 0.683564805407891
Energy: 0.7012906848092847
Energy: 0.684349847136675
Energy: 0.6857802798113688
Energy: 0.6696570827778343
Energy: 0.6708840227775736
Energy: 0.6551504224420822
Energy: 0.7130085069202414
Energy: 0.6651480581785312
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Energy: 0.654706826036198
Energy: 0.6651380983989845
Energy: 0.6651818450748302
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Energy: 0.6720842648497519
Energy: 0.6649898808127508
Energy: 0.6456682602397055
Energy: 0.6452462597247377
Energy: 0.6608663529643521
Energy: 0.6597549485573825
Energy: 0.6820535440721823
Energy: 0.6460049541741849
Energy: 0.6453069741563647
Energy: 0.6707787767039223
Energy: 0.6704280468877677
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Energy: 0.6565323270015704
Energy: 0.6633814333765725
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Energy: 0.6647754159082346
Energy: 0.6787103738527822
Energy: 0.6650284539805008
Energy: 0.6839860798544374
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Energy: 0.6555284876228266
Energy: 0.6819044168581045
Energy: 0.6654418912129425
Energy: 0.6551087380690479
Energy: 0.6637097919637575
Energy: 0.678717359517501
Energy: 0.6772593786451004
Energy: 0.6498283089802395
Energy: 0.6689916479042844
Energy: 0.6641811509899902
Energy: 0.7023581274183117
Energy: 0.6762278596858962
Energy: 0.650517288966541
Energy: 0.7084371922338459
Energy: 0.6631518751362546
Energy: 0.6639964064965639
Energy: 0.6671877817988108
Energy: 0.6511195790822936
Energy: 0.6668846453766402
Energy: 0.662127603678811
Energy: 0.664079048478364
Energy: 0.6732809101415232
Energy: 0.6506267352998738
Energy: 0.6642757049229153
Energy: 0.6691386135018871
Energy: 0.662402107790542
Energy: 0.6626409789225916
Energy: 0.663597932405124
Energy: 0.6656599344719596
Energy: 0.6694401907598889
Energy: 0.6618440133670764
Energy: 0.6654915222494313
Energy: 0.6635891842089413
Energy: 0.6740579908368637
Energy: 0.6848371128426397
Energy: 0.6791150324558397
Energy: 0.6604934985798013
Energy: 0.6616561348080239
Energy: 0.6710899921517722
Energy: 0.6854556793157072
Energy: 0.6750892615933065
Energy: 0.6606035857142719
Energy: 0.6614111870995215
Energy: 0.6629232281318873
Energy: 0.6934868889181284
Energy: 0.673482843954811
Energy: 0.6618988621037273
Energy: 0.691950033699876
Energy: 0.6637598354685591
Energy: 0.6779074672731096
Energy: 0.667656994926893
Energy: 0.6849955713238169
Energy: 0.6905411190900097
Energy: 0.6708995646361837
Energy: 0.6855279420600451
Energy: 0.6610492374345348
Energy: 0.6675650860880616
Energy: 0.6941252373230375
Energy: 0.6650165377256195
Energy: 0.6848434828203356
Energy: 0.6721127038551155
Energy: 0.6661737932051315
Energy: 0.7028311312679628
Energy: 0.6488515322318993
Energy: 0.6683450298035591
Energy: 0.6678675734850272
Energy: 0.6613451734943288
Energy: 0.7042490533352352
Energy: 0.7060303550828568
Energy: 0.6637649894183945
Energy: 0.6660569173400707
Energy: 0.6716557972139524
Energy: 0.71104465277702

minimum gb energy = 0.6445922923460621 eV
minimum distance =  3.1153327587402 Angstroms
sigma value = 293


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

Energy: 0.6456846386328476
Energy: 0.6579157752287277
Energy: 0.7073434623725376
Energy: 0.657198705017785
Energy: 0.6559135269737717
Energy: 0.6460780949110306
Energy: 0.6583903551215804
Energy: 0.7069363206974248
Energy: 0.6574497281789418
Energy: 0.654018440701413
Energy: 0.7001127594502824
Energy: 0.6574749257893207
Energy: 0.6581654247296107
Energy: 0.6579454682207821
Energy: 0.6583561956090095
Energy: 0.6984154520748759
Energy: 0.6575123497057064
Energy: 0.6520410393724771
Energy: 0.6577521675523268
Energy: 0.6584331773540977
Energy: 0.6574119313801656
Energy: 0.6572368995602511
Energy: 0.6568657360388588
Energy: 0.6577717601061139
Energy: 0.6967142753668678
Energy: 0.6577191030793796
Energy: 0.65776399432163
Energy: 0.6570361710507603
Energy: 0.7048643103913554
Energy: 0.6979825683365019
Energy: 0.7044800598987195
Energy: 0.646937949571623
Energy: 0.6507137249672966
Energy: 0.658087338936643
Energy: 0.6986085070321976
Energy: 0.7059734032772993
Energy: 0.6464482717573368
Energy: 0.6527383570410918
Energy: 0.6575017299995712
Energy: 0.6480752732179869
Energy: 0.6573253114133374
Energy: 0.655011692653258
Energy: 0.6464371945975994
Energy: 0.6570933821266152
Energy: 0.6573278403155246
Energy: 0.6575823173194799
Energy: 0.6518032534570615
Energy: 0.6469571834515034
Energy: 0.6565389736638143
Energy: 0.6573011020694328
Energy: 0.6576142088834239
Energy: 0.7043783881241835
Energy: 0.6587208985353866
Energy: 0.6572390683442277
Energy: 0.6544805228128537
Energy: 0.6573659349645729
Energy: 0.7060385936021869
Energy: 0.6583642461005064
Energy: 0.6569706042750051
Energy: 0.656355440251879
Energy: 0.7072517871199557
Energy: 0.6472909558625098
Energy: 0.6582329581992324
Energy: 0.6574695837908541
Energy: 0.6570788416111936
Energy: 0.7072275825061918
Energy: 0.646822317819763
Energy: 0.6585138874161467
Energy: 0.6573524641539716
Energy: 0.6569665356868502
Energy: 0.6580718015133067
Energy: 0.6961474071707258
Energy: 0.6575142453815138
Energy: 0.6461823362604321
Energy: 0.6562951441259167
Energy: 0.6580705115244105
Energy: 0.6953087313327221
Energy: 0.6572315251661791
Energy: 0.6460683879483204
Energy: 0.6572116168791831
Energy: 0.6569755729420156
Energy: 0.6511018742598811
Energy: 0.6579159926043315
Energy: 0.6493534342638341
Energy: 0.7000572130468403
Energy: 0.6570681402552833
Energy: 0.658285820746272
Energy: 0.6581928780040609
Energy: 0.6482113673275743
Energy: 0.7023359845465003
Energy: 0.6569201928177844
Energy: 0.6568842291706338
Energy: 0.6952194164228334
Energy: 0.7067284594927833
Energy: 0.6567284326171804
Energy: 0.6568189718550005
Energy: 0.6568760665268811
Energy: 0.6952647015515253
Energy: 0.6611443634501238
Energy: 0.6573711709054373
Energy: 0.6475113498695221
Energy: 0.6593618618639783
Energy: 0.6557415731133163
Energy: 0.6575291180043772
Energy: 0.7010481148024303
Energy: 0.6482716507231091
Energy: 0.6590552041592121
Energy: 0.6468450292002014
Energy: 0.657889929220998
Energy: 0.6995992761333955
Energy: 0.6457942704422408
Energy: 0.6579947032511906
Energy: 0.7077277604070559
Energy: 0.6570695192900341
Energy: 0.6563373927913322
Energy: 0.6462385513157088
Energy: 0.6585287244251173
Energy: 0.7067417364580304
Energy: 0.657347227604237
Energy: 0.6545594265838776
Energy: 0.7004715232987022
Energy: 0.6575549706676669
Energy: 0.6581126665232229
Energy: 0.6579978787156051
Energy: 0.6583990406895146
Energy: 0.6987107860747727
Energy: 0.6575131035782191
Energy: 0.6517047152834747
Energy: 0.6577573890815802
Energy: 0.6583134582230101
Energy: 0.6572766041407456
Energy: 0.6574781045255951
Energy: 0.6568223623266545
Energy: 0.7066907919341068
Energy: 0.6966105886444635
Energy: 0.6575665840225768
Energy: 0.6576927912100597
Energy: 0.656940460445258
Energy: 0.7056937572388021
Energy: 0.6979252637981396
Energy: 0.7036061501371764
Energy: 0.6470511911395158
Energy: 0.6505342850799436
Energy: 0.6580778453026596
Energy: 0.6989306428169473
Energy: 0.7053278255117975
Energy: 0.6465339139565333
Energy: 0.6524576108483984
Energy: 0.6574658252684862
Energy: 0.6973060744922128
Energy: 0.6573190861634978
Energy: 0.6550446706190466
Energy: 0.6463032187577907
Energy: 0.6573019884519686
Energy: 0.6572849900971997
Energy: 0.6575627369555345
Energy: 0.6522611516252281
Energy: 0.6467933743809758
Energy: 0.656764301550097
Energy: 0.6573796726325353
Energy: 0.657569219809988
Energy: 0.7042992881695326
Energy: 0.6586394662835761
Energy: 0.6572710457910584
Energy: 0.654004192964491
Energy: 0.6574659810522928
Energy: 0.7059897426411719
Energy: 0.6582950423434539
Energy: 0.6570026719237344
Energy: 0.6559414757092984
Energy: 0.7074327002122798
Energy: 0.6474360003928947
Energy: 0.6582027135177533
Energy: 0.657408073039007
Energy: 0.6569989631062936
Energy: 0.7010811112095918
Energy: 0.6469339898158785
Energy: 0.6585111057283024
Energy: 0.6573416353715515
Energy: 0.65693891750064
Energy: 0.6583771124118004
Energy: 0.6962574868055783
Energy: 0.6577280649607724
Energy: 0.6462847668458682
Energy: 0.6561303035697167
Energy: 0.658502170276083
Energy: 0.695174703745084
Energy: 0.6570338183405366
Energy: 0.6460801709916146
Energy: 0.6568046866245043
Energy: 0.6570327910253337
Energy: 0.6515074349743439
Energy: 0.6579422749762129
Energy: 0.6494768525054192
Energy: 0.7000068760917018
Energy: 0.6571613272227037
Energy: 0.6583928906308856
Energy: 0.6582153080947278
Energy: 0.6482857016474805
Energy: 0.6574416398182527
Energy: 0.6570205843204053
Energy: 0.6569503677060109
Energy: 0.6952687726465713
Energy: 0.7068831457874338
Energy: 0.6567374216915133
Energy: 0.6568272791971377
Energy: 0.6568844343674244
Energy: 0.6951490970968677
Energy: 0.6585452703671976
Energy: 0.6563410767264741
Energy: 0.6473215844452538
Energy: 0.6592723001072215
Energy: 0.6559213693761871
Energy: 0.706665157119702
Energy: 0.7011648880328349
Energy: 0.6481152112774521
Energy: 0.6590495255431832
Energy: 0.6467918709909068
Energy: 0.7073776576884073
Energy: 0.6996591354963073

minimum gb energy = 0.6456846386328476 eV
minimum distance =  3.14130424520904 Angstroms
sigma value = 15


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

Energy: 0.6259895856427383
Energy: 0.677933432040335
Energy: 0.7021987783111273
Energy: 0.6443863590234417
Energy: 0.6991958255308934
Energy: 0.6294108849016591
Energy: 0.700745425385384
Energy: 0.693926292952427
Energy: 0.658642044191107
Energy: 0.6411475268684146
Energy: 0.6367239100137269
Energy: 0.6483680537771047
Energy: 0.6663269181984203
Energy: 0.6682972442695432
Energy: 0.6727592417018048
Energy: 0.6236623843803071
Energy: 0.6484208990961086
Energy: 0.666232967340215
Energy: 0.6392606243620423
Energy: 0.6538215159161719
Energy: 0.7101385439183705
Energy: 0.6426078591797784
Energy: 0.6319498233339679
Energy: 0.6521318984579653
Energy: 0.6242031995278745
Energy: 0.6948045464622813
Energy: 0.6730621810364233
Energy: 0.6315070996163208
Energy: 0.6677843221426615
Energy: 0.6348028090933292
Energy: 0.6358876845636828
Energy: 0.6293593397078623
Energy: 0.66037864498429
Energy: 0.6943123112325167
Energy: 0.6241214125429342
Energy: 0.6327712071775274
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Energy: 0.6604790025346996
Energy: 0.7098894641057044
Energy: 0.6347369715589418
Energy: 0.6454566154991498
Energy: 0.7018173212478849
Energy: 0.6281107714675216
Energy: 0.6310384388108553
Energy: 0.6829276240401242
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Energy: 0.6962900257722735
Energy: 0.6475510885716964
Energy: 0.6314948247912351
Energy: 0.6831717402082111
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Energy: 0.6303890815818095
Energy: 0.6306499367930588
Energy: 0.6941315875189
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Energy: 0.636866948107906
Energy: 0.6314750399383794
Energy: 0.6299542483674778
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Energy: 0.6314799462695433
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Energy: 0.7066126427597741
Energy: 0.6317987788706829
Energy: 0.631034467283651
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Energy: 0.6744388974608054
Energy: 0.6332658735713973
Energy: 0.6299777945916522
Energy: 0.6605714209167827
Energy: 0.6284027095122208
Energy: 0.6896775606843679
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Energy: 0.7074149979543196
Energy: 0.6297110387414709
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Energy: 0.6648296133622108
Energy: 0.664386624598843
Energy: 0.6542393845125841
Energy: 0.6255774002099626
Energy: 0.6313684463932583
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Energy: 0.6302862013730944
Energy: 0.6736876111942421
Energy: 0.680037826984972
Energy: 0.6381737924278572
Energy: 0.6388381749464259
Energy: 0.6401544117220108
Energy: 0.674667552977651
Energy: 0.6479314423131348
Energy: 0.6399658421310185
Energy: 0.6394309476736405
Energy: 0.6509681195230163
Energy: 0.759995382491101
Energy: 0.6484383835943294
Energy: 0.6792035010330009
Energy: 0.6263711105589842
Energy: 0.6700533719279257
Energy: 0.6615943776475204
Energy: 0.6471834525347007
Energy: 0.6256280834425108
Energy: 0.6219411776751905
Energy: 0.6831937778001281
Energy: 0.7037326103686095
Energy: 0.6506085788806082
Energy: 0.6307793701951698
Energy: 0.6747940947778436
Energy: 0.6564872167374552
Energy: 0.669958462962626
Energy: 0.6566136434605447
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Energy: 0.6748371400656487
Energy: 0.6732318692232307
Energy: 0.6665929906111578
Energy: 0.6556892437971912
Energy: 0.7069718922831084
Energy: 0.6408877021926559
Energy: 0.6476433807316881
Energy: 0.6660472943601797
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Energy: 0.7091676150378806
Energy: 0.6451559894824146
Energy: 0.647654114409527
Energy: 0.6303665604617614
Energy: 0.6505644588089037
Energy: 0.6264479850924386
Energy: 0.6541589755140743
Energy: 0.647255886502323
Energy: 0.6300980622034374
Energy: 0.6504902413333661
Energy: 0.7160458469722607
Energy: 0.6541804341625391
Energy: 0.6461761511280723
Energy: 0.7171834044568219
Energy: 0.7290721136082186
Energy: 0.6504683304487809
Energy: 0.6645811626513926
Energy: 0.6548370762372819
Energy: 0.7327227018989643
Energy: 0.7280779160524653
Energy: 0.6502799729520542
Energy: 0.6514518718474046
Energy: 0.6489383792293449
Energy: 0.6271896610987877
Energy: 0.6473748325210364
Energy: 0.6466968800561387
Energy: 0.6431669735209063
Energy: 0.6520101397062257
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Energy: 0.6470540393437879
Energy: 0.6361738473516824
Energy: 0.7262416499308916
Energy: 0.6514464465560467
Energy: 0.7426783129255614
Energy: 0.7337674608638384
Energy: 0.7358288022468709
Energy: 0.6693412912118726
Energy: 0.6324643714931419
Energy: 0.7429472672763554
Energy: 0.7336768362401175
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Energy: 0.629943122285825
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Energy: 0.7163912902474774
Energy: 0.7614403057794256
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Energy: 0.6320817389820966
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Energy: 0.6241447886582988
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Energy: 0.6303271762948395
Energy: 0.6744468740218315
Energy: 0.6663604166215112
Energy: 0.6266392358099958
Energy: 0.650648115595916
Energy: 0.640492402561743
Energy: 0.669492702290461
Energy: 0.6494115368287033
Energy: 0.6389653766571936
Energy: 0.6499099101314874
Energy: 0.6414430369415747
Energy: 0.7599014665860844
Energy: 0.6822113078713785
Energy: 0.6255244517444747
Energy: 0.6261638601821746
Energy: 0.6487027748307468
Energy: 0.7492141495883321
Energy: 0.6713879242822773
Energy: 0.6257065962756176
Energy: 0.6259187974887247
Energy: 0.6477770798965097
Energy: 0.6700460530373529
Energy: 0.6272440083063072
Energy: 0.6296277665682305
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Energy: 0.6340869140524136
Energy: 0.6300728095659783
Energy: 0.670258495909045
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Energy: 0.6580392056980048
Energy: 0.63385175178813
Energy: 0.6304057714256169
Energy: 0.6260518433838657
Energy: 0.6274730095940116
Energy: 0.6332288782568665
Energy: 0.6491380936217916
Energy: 0.7442850476846966
Energy: 0.7290474284754215
Energy: 0.6504233727094204
Energy: 0.7099637919177545
Energy: 0.6598428331835052
Energy: 0.7324084151945816
Energy: 0.7288096167385972
Energy: 0.650036133043988
Energy: 0.708819228045618
Energy: 0.6222271387713928
Energy: 0.6286998388661028
Energy: 0.6757169537290991
Energy: 0.6987838023479876
Energy: 0.6431264944044888
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Energy: 0.6935560927037621
Energy: 0.7371191849478302
Energy: 0.6533849817030811
Energy: 0.7182610197581605
Energy: 0.7439150137198078
Energy: 0.7566665325107248
Energy: 0.6426094236133011
Energy: 0.6318121625274595
Energy: 0.7110682112896585
Energy: 0.7570062672812019
Energy: 0.7430672363587146
Energy: 0.645997024910367
Energy: 0.6317016561095797
Energy: 0.6298517175079688
Energy: 0.6333572091842159
Energy: 0.6530297797016382
Energy: 0.6294149541828257
Energy: 0.633422030865023
Energy: 0.6292462326728832
Energy: 0.6383537886445882
Energy: 0.6344020382693846
Energy: 0.6298548216671676
Energy: 0.6343468832366116
Energy: 0.6315735489416431
Energy: 0.6299006343262379
Energy: 0.6629308850386747
Energy: 0.6309092486413346
Energy: 0.6317013370337785
Energy: 0.6321993493029091
Energy: 0.629325087694143
Energy: 0.6549162637952922
Energy: 0.630651544727789
Energy: 0.632101482297196
Energy: 0.6754176994018746
Energy: 0.6285673868611609
Energy: 0.6248324172224674
Energy: 0.6682688104450338
Energy: 0.6633538210552298
Energy: 0.6659743311900986
Energy: 0.6286471627581284
Energy: 0.6375399487350314
Energy: 0.6685497127783556
Energy: 0.6736995940176983
Energy: 0.6367220148553375
Energy: 0.6352859072939926
Energy: 0.6704764401984841
Energy: 0.7419863228530875
Energy: 0.6288298798460621
Energy: 0.623545770306581
Energy: 0.6233881858330413
Energy: 0.6815237935030992
Energy: 0.7550870456564763
Energy: 0.6347625359932993
Energy: 0.6412640097811494
Energy: 0.6359163807968694
Energy: 0.638909967566653
Energy: 0.6292505134033556
Energy: 0.6234032125901711
Energy: 0.6250391887971477
Energy: 0.6455957944065854
Energy: 0.6384157808788667
Energy: 0.6299142056465178
Energy: 0.6344807343285986
Energy: 0.6374427157540143
Energy: 0.6240947400393819
Energy: 0.6607640110378815
Energy: 0.7488313442978575
Energy: 0.673959772127892
Energy: 0.6249005866681147
Energy: 0.6752026012893958
Energy: 0.6610353771164478
Energy: 0.6484044670444022
Energy: 0.6793736342088765
Energy: 0.6364270573786529
Energy: 0.673715725067043
Energy: 0.6564393515641698
Energy: 0.6480130861205974
Energy: 0.6214932494131026
Energy: 0.6306997912369796
Energy: 0.701553247073544
Energy: 0.6311437185680298
Energy: 0.6478175313812069
Energy: 0.6245539716757664

minimum gb energy = 0.6212042466207154 eV
minimum distance =  3.11026547325874 Angstroms
sigma value = 437


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

Energy: 0.898473926454718
Energy: 0.606055520243643
Energy: 0.658527998007676
Energy: 0.7137049559404938
Energy: 0.5691314906803704
Energy: 0.6265610866713278
Energy: 0.6055901619350016
Energy: 0.6591922667794292
Energy: 0.6347652963043613
Energy: 0.6330662803790632
Energy: 0.566987266342931
Energy: 0.6643444347472632
Energy: 0.5657907619207146
Energy: 0.7050459881937379
Energy: 0.5680657126094951
Energy: 0.5664857290873349
Energy: 0.6671560695706753
Energy: 0.5663352683548525
Energy: 0.6666382010725016
Energy: 0.5682735202467586
Energy: 0.6353722933615904
Energy: 0.6440736557944834
Energy: 0.5971178350797124
Energy: 0.5910714398592635
Energy: 0.5675591900706303
Energy: 0.6350577938990263
Energy: 0.6447727872993929
Energy: 0.5964125494942083
Energy: 0.5928395509497658
Energy: 0.5670329756923208
Energy: 0.5687275904745263
Energy: 0.5687714379351948
Energy: 0.671272363877042
Energy: 0.6349027910983834
Energy: 0.5665190680974934
Energy: 0.5934991226546914
Energy: 0.5911722012213422
Energy: 0.6723301997466213
Energy: 0.6350851217886726
Energy: 0.5958571659852735
Energy: 0.5760916027808081
Energy: 0.6042003378874072
Energy: 0.5733765766751461
Energy: 0.5763781431631222
Energy: 0.6280478774998186
Energy: 0.5757067955521465
Energy: 0.6043734438641852
Energy: 0.5734970816238163
Energy: 0.5759234072040281
Energy: 0.627689609468081
Energy: 0.6074547241531596
Energy: 0.5688469133196632
Energy: 0.5970602383670474
Energy: 0.5759623331064754
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Energy: 0.6089448892636246
Energy: 0.5688306137577683
Energy: 0.5659668705980119
Energy: 0.576277955911516
Energy: 0.6268151952204264
Energy: 0.63647847664265
Energy: 0.6352207583291793
Energy: 0.6348323070733747
Energy: 0.5902065156229044
Energy: 0.5959572363908927
Energy: 0.6357280740616503
Energy: 0.6346495374172103
Energy: 0.6347587602108471
Energy: 0.5905389176045692
Energy: 0.5967260705045466
Energy: 0.6422668924860648
Energy: 0.5685502505120263
Energy: 0.5687144589715537
Energy: 0.5906173320496362
Energy: 0.6650191089761252
Energy: 0.6440064331880118
Energy: 0.5660815120317891
Energy: 0.5689131236234458
Energy: 0.5906861382483195
Energy: 0.6646538989158757
Energy: 0.5923001087333413
Energy: 0.6728464716350758
Energy: 0.6057182911565321
Energy: 0.5973313394600505
Energy: 0.5921710621144003
Energy: 0.5912176580698455
Energy: 0.5955218470107102
Energy: 0.6052602307142119
Energy: 0.5667912133912982
Energy: 0.5907056911892387
Energy: 0.6089636608466478
Energy: 0.6393426504424763
Energy: 0.5663453794858998
Energy: 0.6431633420927918
Energy: 0.605096606424817
Energy: 0.5752333447288305
Energy: 0.5718477933428189
Energy: 0.5664694206990913
Energy: 0.7053951494741764
Energy: 0.6051489119018039
Energy: 0.5669690433903994
Energy: 0.5663810282384224
Energy: 0.6057460290334522
Energy: 0.6267070139735137
Energy: 0.571202897353206
Energy: 0.5665069316397865
Energy: 0.5662581820623391
Energy: 0.6049356378061577
Energy: 0.627247749391113
Energy: 0.5691817031653144
Energy: 0.5676164022861289
Energy: 0.5658299918536364
Energy: 0.565757034488565
Energy: 0.6484143840742367
Energy: 0.5684124596697949
Energy: 0.5662452060109046
Energy: 0.5654849108718174
Energy: 0.5657685627849789
Energy: 0.6692342175401896
Energy: 0.5668684287368909
Energy: 0.5668269910153074
Energy: 0.569138995147503
Energy: 0.5961316661494758
Energy: 0.6658219823503372
Energy: 0.6060007294362509
Energy: 0.567301390420014
Energy: 0.5695250882320555
Energy: 0.5972051329458623
Energy: 0.665466191370247
Energy: 0.5671342778031537
Energy: 0.5668480920930793
Energy: 0.6077343003309417
Energy: 0.6612856312959506
Energy: 0.5665046701978111
Energy: 0.5706851542315373
Energy: 0.5642582660305876
Energy: 0.6070004483380353
Energy: 0.7297250828688083
Energy: 0.5670396303348565
Energy: 0.6069772373633796

minimum gb energy = 0.5642582660305876 eV
minimum distance =  3.19788493216401 Angstroms
sigma value = 33