Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.061213478446007
cohesive_energy=2.700628357150368
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3786201217280778e-19, 1.88867785969188e-19, 2.26834565665086e-19, 2.5764442233690597e-19, 2.8311582646423797e-19, 3.04593004243008e-19, 3.23420181869142e-19, 3.4014370157483396e-19, 3.5470748717789397e-19, 3.6741114570888e-19, 3.78488594956356e-19, 3.8811927870333e-19, 3.9656915827104595e-19, 4.0392475119774e-19, 4.10214896662824e-19, 4.15522907851266e-19, 4.1992729141813193e-19, 4.2348732789888e-19, 4.2626390000560197e-19, 4.28303470860684e-19, 4.30077080394522e-19, 4.3152865242492594e-19, 4.3237780604094596e-19, 4.3265498259862797e-19, 4.3235697774470396e-19, 4.3139406958767e-19, 4.2964609487997593e-19, 4.2697206207783e-19, 4.2320053828139398e-19, 4.182097580664839e-19, 4.1170331875581e-19, 4.03362387199206e-19, 3.9281846277085196e-19, 3.7962614036649596e-19, 3.6322626034087197e-19, 3.4365887710983e-19, 3.1957495794754196e-19, 2.89771268201874e-19, 2.5285711855451395e-19, 2.0760844605708598e-19, 1.51364035320516e-19, 8.08424683807086e-20, -7.389911550194279e-21, -1.1966785453476718e-19, -2.6353883017339196e-19, -4.50958248465444e-19, -6.954584136970139e-19, -1.0265081606972638e-18, -1.483942407117336e-18, -2.1369030855974998e-18, -3.1047619684305595e-18, -4.617104558562179e-18, -7.16535047317284e-18, -1.1949097423437359e-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: 0.01010686538484258
Energy: 0.5540765015862293
Energy: 0.2964427746871221
Energy: 0.7588906436327629
Energy: 0.7561432830969721
Energy: 0.2677571088943477
Energy: 0.010625881948451672
Energy: 0.06549831511459456
Energy: 0.5476986661820296
Energy: 0.06560262846785532
Energy: 0.16168598663205866
Energy: 0.544023213757724
Energy: 0.011225097409739015
Energy: 0.06684204144388568
Energy: 0.01040203289025617
Energy: 0.5481168017072232
Energy: 0.27120061406910784
Energy: 0.16117744016758895
Energy: 0.5447388736362809
Energy: 0.06537570160664684
Energy: 0.06667755428821022
Energy: 0.012102223323769873
Energy: 0.5509103580792267
Energy: 0.1614500040067453
Energy: 0.5446585043820107
Energy: 0.5472089139315933
Energy: 0.06585084471316716
Energy: 0.010860706789591503
Energy: 0.06575618790783712
Energy: 0.5473799884082753
Energy: 0.06561075312314951
Energy: 0.16174021243323405
Energy: 0.5441874644449625
Energy: 0.010803467937117145
Energy: 0.06700462591571975
Energy: 0.010364786579890687
Energy: 0.5480588118936206
Energy: 0.27120000848740267
Energy: 0.16155354556594267
Energy: 0.5460661034818266
Energy: 0.06523132676571929
Energy: 0.06656019829086234

minimum gb energy = 0.01010686538484258 eV
minimum distance =  2.84443326247281 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.8883515089078505
Energy: 0.8650392629394152
Energy: 0.9194828613981711
Energy: 0.8930960990749318
Energy: 0.9723016366605235
Energy: 0.918014584180526
Energy: 0.8956660060725581
Energy: 0.8665736916915525
Energy: 0.9432859621892338
Energy: 0.8850133234355027
Energy: 0.9752837952172653
Energy: 0.8989362657845771
Energy: 0.8757526142475823
Energy: 0.9408812220613327
Energy: 0.876387643766411
Energy: 0.9351021667233205
Energy: 0.9351878203664806
Energy: 0.901638126321134
Energy: 0.9102824971236777
Energy: 0.9278347805413911
Energy: 0.913873393362775
Energy: 0.8752286998822039
Energy: 0.973524154209807
Energy: 0.8861608839811831
Energy: 0.9250902385634331
Energy: 0.891568754042369
Energy: 0.876435570544158
Energy: 0.9173410773832094
Energy: 0.8797985522538245
Energy: 0.8964697008741218
Energy: 0.8868654184005931
Energy: 0.8952777525419403
Energy: 0.9415801613598284
Energy: 0.898690253578239
Energy: 0.9203216810043914
Energy: 0.9304869283814634
Energy: 0.9326911088280163
Energy: 0.8764383908674362
Energy: 0.922598406978912
Energy: 0.9102751446372916
Energy: 0.957374259117078
Energy: 0.9887612050351391
Energy: 0.891815024873593
Energy: 0.906386818004722
Energy: 0.9280206374210589
Energy: 0.8795656572242808
Energy: 0.8783190058809286
Energy: 0.9605209872545964
Energy: 0.9091084360610919
Energy: 0.9109540745205875
Energy: 0.8931428387658006
Energy: 0.9237148455042672
Energy: 0.9354976017075877
Energy: 0.8878397135863814
Energy: 0.9055803253774338
Energy: 0.914852771367994
Energy: 0.8964686370100011
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Energy: 0.8843295790154536
Energy: 0.8836619053794345
Energy: 1.000455853337641
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Energy: 0.8821748944082947
Energy: 0.8895338049985771
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Energy: 0.8630017629486102
Energy: 0.9013967495398888
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Energy: 0.9300163920986733
Energy: 0.8950625309561723
Energy: 0.9393648906186508
Energy: 0.8843997705580293
Energy: 0.9267549465756044
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Energy: 0.8621473086180835
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Energy: 0.8892265817766521
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Energy: 0.9044233713991526
Energy: 0.9417959133578571
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Energy: 0.9090253655538234
Energy: 0.9426160086941883
Energy: 0.9297393521239923
Energy: 0.9166315275079665
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Energy: 0.8892902956766524
Energy: 0.8825622913157314
Energy: 0.9016646190488825
Energy: 0.9060027001551119
Energy: 0.9366433332834067
Energy: 0.8712678611739564
Energy: 0.9071730857591135
Energy: 0.8726158858546141
Energy: 0.8943261952651261
Energy: 0.892450595627534
Energy: 0.8885772305227465
Energy: 0.9061008445547727
Energy: 0.9664186388001135
Energy: 0.915008261321273
Energy: 0.8796622337798791
Energy: 0.8871547751622852
Energy: 0.8748140005828913
Energy: 0.9067904968433403
Energy: 0.907111904120927
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Energy: 0.9205161174843147
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Energy: 0.8849354786780018
Energy: 0.8723553474690201
Energy: 0.8810569253755226
Energy: 0.8910971033997602
Energy: 0.9100510162298214
Energy: 0.9010367355486523
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Energy: 0.8741584073140969
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Energy: 0.8794371395162229
Energy: 0.9791616044094943
Energy: 0.9031137225322483
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Energy: 0.8757338383430213
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Energy: 0.9053903577156402
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Energy: 0.9287710217801356
Energy: 0.9072035715296791
Energy: 0.9257240606627525
Energy: 0.919997613221636
Energy: 0.9132557190052465
Energy: 0.9296593352592926
Energy: 0.9017167762540209
Energy: 0.9507357955758616
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Energy: 0.9070425619624297
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Energy: 0.8627514098470618
Energy: 0.9632184208680766
Energy: 0.8860983668580638
Energy: 0.8863722405308195
Energy: 0.8947729179039445
Energy: 0.898453478412479
Energy: 0.8940914404338023
Energy: 0.878512759399063
Energy: 0.912202376381298
Energy: 0.8635743644454504
Energy: 0.9340380924837817
Energy: 0.8819857267302758
Energy: 0.974814281764251
Energy: 0.9343392266436663
Energy: 0.8791730644052572
Energy: 0.9240819134206971
Energy: 0.8950193921901483
Energy: 0.9360692120572319
Energy: 0.9296741038361854
Energy: 0.9024854384508808
Energy: 0.9199347796322388
Energy: 0.9640203341021196
Energy: 0.9187062829077018
Energy: 0.8712645168910603
Energy: 0.9306873129869118
Energy: 0.8873518401116661
Energy: 0.9202450039659252
Energy: 0.8961379624388341
Energy: 0.9024818592647591
Energy: 0.911136044711194
Energy: 0.9253508366281646
Energy: 0.9278110691434138
Energy: 0.8870002042875514
Energy: 0.8946010401946318
Energy: 0.8762053610322182
Energy: 0.8896980585757511
Energy: 0.9174087614951265
Energy: 0.8949257034575845
Energy: 0.9313400943024406
Energy: 0.8871573275850996
Energy: 0.9212662372548003
Energy: 0.8767814223033674
Energy: 0.889702882280169
Energy: 0.8943621904885243
Energy: 0.8844422299925896
Energy: 0.9078318885986786
Energy: 0.8991598673219386
Energy: 0.9524551440903012
Energy: 0.9075441606260215
Energy: 0.902946885457635
Energy: 0.9112593323003333
Energy: 0.8712047364503154
Energy: 0.9325433823045964
Energy: 0.8882869150942224
Energy: 0.9182827101526994
Energy: 0.8962545911137054
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Energy: 0.8820376979198482
Energy: 0.9239496733540917
Energy: 0.928418168980817
Energy: 0.8907676705936641
Energy: 0.9289525270094243
Energy: 0.9247896333386862
Energy: 0.9051482896998873
Energy: 0.8931708432464531
Energy: 0.8990627354461643
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Energy: 0.9221861053310322
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Energy: 0.8636120618181911
Energy: 0.9028790336138814
Energy: 0.8620367302964448
Energy: 0.8870692613901217
Energy: 0.9213631538865013
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Energy: 0.8910312106891044
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Energy: 0.884369444609495
Energy: 0.8729085331375029
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Energy: 0.9316887155652256
Energy: 0.877949366575927
Energy: 0.8791787314080338
Energy: 0.9376566706311323
Energy: 0.9545939995374298
Energy: 0.8923625291962836
Energy: 0.8975603611705528
Energy: 0.8668225135356658
Energy: 0.8917842648727278
Energy: 0.9617312789346385
Energy: 0.8950808782489768
Energy: 0.9395099548444987
Energy: 0.9407685857899937
Energy: 0.9082640533793185
Energy: 0.9480587695394567
Energy: 0.8925126890557231
Energy: 0.8823592455785201
Energy: 0.888111813362637
Energy: 0.887726930442714
Energy: 0.9260600509357433
Energy: 0.8960416377572954
Energy: 0.8776554305448107
Energy: 0.9284000741533268
Energy: 0.8650024524024507
Energy: 0.9252477281984779
Energy: 0.8833845836234643
Energy: 0.9295623515801992
Energy: 0.9180775680688231
Energy: 0.8841058941796998
Energy: 0.8727979523240724
Energy: 0.9040119576760098
Energy: 0.871451810952394
Energy: 0.9213662756568749
Energy: 0.9081008059042771
Energy: 0.909887459412465
Energy: 0.9460472807056193
Energy: 0.8802785915250798
Energy: 0.9672454634299823
Energy: 0.8625793730351556
Energy: 0.9294320967228388
Energy: 0.9348515409322246
Energy: 0.8831635253785751
Energy: 0.8863944822968189
Energy: 0.8863479493653114
Energy: 0.8755755099471384
Energy: 0.9129722756686682
Energy: 0.9281650960930832
Energy: 0.8944719069108997
Energy: 0.9528940873942977
Energy: 0.874344792934182
Energy: 0.8783695916805079
Energy: 0.9606947934564594
Energy: 0.8665890435067443
Energy: 0.9295670899147184
Energy: 0.8791025804741472
Energy: 0.8839905970107556
Energy: 0.9081802476803249
Energy: 0.8611104080408601
Energy: 0.9298962540568487
Energy: 0.8870276951413106
Energy: 0.9512980484717538
Energy: 0.9929926729909997
Energy: 0.8772055364833113
Energy: 0.9172846061810277
Energy: 0.9028408010205843
Energy: 0.8903653932219845
Energy: 0.9267523475788141
Energy: 0.8885318469772803
Energy: 0.9097323698274046
Energy: 0.862511023064697
Energy: 0.9022066098601985
Energy: 0.8864423543658809
Energy: 0.8972353070926529
Energy: 0.8676533505698941
Energy: 0.8910224858014689
Energy: 0.9889212570126199
Energy: 0.9401879898136234
Energy: 0.9113270208930603

minimum gb energy = 0.8611104080408601 eV
minimum distance =  2.54848757133773 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.0410089437022163
Energy: 0.8879720156037492
Energy: 0.8859251127812379
Energy: 0.9022556185119762
Energy: 0.9673047058176857
Energy: 0.9344545683766349
Energy: 0.9010655566743148
Energy: 0.8954485211573423
Energy: 0.876116577978797
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Energy: 0.9121282292734705
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Energy: 0.9028669948715559
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Energy: 0.873704279316446
Energy: 0.9502435257209155
Energy: 0.9955463266612394
Energy: 0.9158615368174708
Energy: 0.9431312998930348
Energy: 0.9157700207659448
Energy: 0.9146948286172425
Energy: 0.8618101154069086
Energy: 0.9096689669036252
Energy: 0.9850439547866845
Energy: 0.9472410156989965
Energy: 0.9035024079540768
Energy: 0.8859066424551306
Energy: 0.8883731777187654
Energy: 0.8629807660775622
Energy: 0.9244358116845462
Energy: 0.9440140771158146
Energy: 0.9358298861669356
Energy: 0.9112725397984782
Energy: 0.8841823385767985
Energy: 0.888272088245085
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Energy: 0.8960900092037938
Energy: 1.0373196056818252
Energy: 0.9064592283265449
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Energy: 0.9242303532096194
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Energy: 0.8622944090013417
Energy: 0.9120590546246052
Energy: 1.0213220911266916
Energy: 0.9574451797920096
Energy: 0.9292726122916213
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Energy: 0.9015823000305951
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Energy: 0.8849965887258509
Energy: 0.9059465849815893
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Energy: 0.9361977569358607
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Energy: 0.8859318565459101
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Energy: 0.908434631739216
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Energy: 0.9358189594387828
Energy: 0.9187723984222054
Energy: 0.8889686813403481
Energy: 0.8844490536892012
Energy: 0.9103127812220072
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Energy: 0.9023394148705826
Energy: 0.9688109370432466
Energy: 0.9181556644061463
Energy: 0.9254501099435609
Energy: 0.9124467761948523
Energy: 0.8914537428574555
Energy: 0.8930485020203138
Energy: 0.9354993830575546
Energy: 0.901179506320427
Energy: 0.9325014499693192
Energy: 0.9124553021478609
Energy: 0.9230189280390966
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Energy: 0.8803211729741375
Energy: 0.9147382108105455
Energy: 0.9583818215534637
Energy: 0.9888346022085645
Energy: 0.9337466655793027
Energy: 0.9037747940035006
Energy: 0.8839661415579544
Energy: 0.8645487559353124
Energy: 0.9142521577300232
Energy: 1.0216088536551626
Energy: 0.8739170594207771
Energy: 0.9057061380603156
Energy: 0.8949380103839193
Energy: 0.8837891512554119
Energy: 0.8629230810538758
Energy: 0.9263188909462314
Energy: 0.9590793597422708
Energy: 0.9258754879564656
Energy: 0.9374086699807375
Energy: 0.9094701383615454
Energy: 0.8908918857598193
Energy: 0.8632404565235218
Energy: 0.9258555041903999
Energy: 0.9512349264784311
Energy: 0.9027463773556488
Energy: 0.9453317919262908
Energy: 0.910480355399109
Energy: 0.892570804812397
Energy: 0.8632817533758536
Energy: 0.9509801937050112
Energy: 0.9347745402755093
Energy: 0.892518235742335
Energy: 0.9118629833782963
Energy: 0.9332713511892993
Energy: 0.8951273085608401
Energy: 0.8773672143574237
Energy: 0.9084703730439736
Energy: 0.9463751116710001
Energy: 0.882030209393757
Energy: 0.9020936510031007
Energy: 0.8927750501282669
Energy: 0.8927654850755765
Energy: 0.8910993126419781
Energy: 0.8875612331624566
Energy: 0.9100326416005412
Energy: 0.8879542836673716
Energy: 0.8829407473946262
Energy: 0.9038301943608172
Energy: 0.9049094033748457
Energy: 0.928506655442884
Energy: 0.9552458372420243
Energy: 0.9180807959832903
Energy: 0.8875552737876682
Energy: 0.8837108099278557
Energy: 0.9018854309410463
Energy: 0.9663317981132585
Energy: 0.9057133190204952
Energy: 0.9500991588351038
Energy: 0.9177304278323116
Energy: 0.8794402509064934
Energy: 0.9153350300334103
Energy: 0.8911290102266772
Energy: 0.9216883791584052
Energy: 0.9419448377225145
Energy: 0.9013475009229971
Energy: 0.9314368306800496
Energy: 0.9136485630805923
Energy: 0.9128540929645096
Energy: 0.9149585159730452
Energy: 0.8976350142064432
Energy: 0.8795923634980849
Energy: 0.9199833610155572
Energy: 0.9557684576420306
Energy: 0.8564158072134154
Energy: 0.9074885663542129
Energy: 0.8995184698693615
Energy: 0.9025897541236292
Energy: 0.8767279019328982
Energy: 0.91920397592247
Energy: 1.0489599871775863
Energy: 0.9459536389930048
Energy: 0.9380562222729555
Energy: 0.9083067071452897
Energy: 0.8984170756614791
Energy: 0.8649410862352337
Energy: 0.9063234848104771
Energy: 0.9559035027400559
Energy: 0.864511631560654
Energy: 0.9585248555065318
Energy: 0.8978378961719873
Energy: 0.9011774235813194
Energy: 0.8655492414871881
Energy: 0.9102827700102448
Energy: 0.9429792911815484
Energy: 0.9149703998548524
Energy: 0.9174017202728595
Energy: 0.8944520700053255
Energy: 0.902394394377882
Energy: 0.8668538865572872
Energy: 0.9389352672350554
Energy: 0.9523012983463389
Energy: 0.8921450627447204
Energy: 0.9132516344161864
Energy: 0.9544930147758398
Energy: 0.9047886946706155
Energy: 0.9014027312905927
Energy: 0.9074557307110785
Energy: 0.9446017169448483
Energy: 0.8914671735675963
Energy: 0.9034614851959679
Energy: 0.8919448233542098
Energy: 0.8919456667031487
Energy: 0.9054820034135185
Energy: 0.9180993219034708
Energy: 0.9394759343424042
Energy: 0.8948770155695395
Energy: 0.8749715212051266
Energy: 0.9113900909458007
Energy: 0.9425326599401486
Energy: 0.8615301799875034
Energy: 0.8953945658553941
Energy: 0.9217987475843294

minimum gb energy = 0.8564158072134154 eV
minimum distance =  2.56137084375474 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.918668034811309
Energy: 0.9395967611213742
Energy: 0.932191596593827
Energy: 0.9277808046263948
Energy: 0.9127476352111091
Energy: 0.9293020081975537
Energy: 0.9361725245428665
Energy: 0.9529732848926353
Energy: 0.9077329355091807
Energy: 0.9194854787087847
Energy: 0.9355242678235544
Energy: 0.9180514086368708
Energy: 0.9117695628269188
Energy: 0.9053561843251616
Energy: 0.9416004100391704
Energy: 0.9374924201038142
Energy: 0.946431978681961
Energy: 0.9480005733402221
Energy: 0.9051649101374231
Energy: 0.9229912672193743
Energy: 0.9164614606664353
Energy: 0.935404956314896
Energy: 0.9665987585554098
Energy: 0.9554086453113435
Energy: 0.9629922938664479
Energy: 0.9454350400957473
Energy: 0.9245118953519067
Energy: 0.9411034092255882
Energy: 0.9304731815358078
Energy: 0.9300220410306744
Energy: 0.9065715801747025
Energy: 0.8980749074651152
Energy: 0.9204493741531281
Energy: 0.9217745831286667
Energy: 0.9138075803399742
Energy: 0.9080713889632959
Energy: 0.9258658637922241
Energy: 0.9013195919810789
Energy: 0.8979651155119395
Energy: 0.9027871390608027
Energy: 0.8802772879051562
Energy: 0.9050038384797391
Energy: 0.9231620025866019
Energy: 0.9622510522027007
Energy: 0.9150765265675105
Energy: 0.9285292297211067
Energy: 0.9577494323818919
Energy: 0.9522241703659682
Energy: 0.9542815860219844
Energy: 0.9206770925771247
Energy: 0.916072876496481
Energy: 0.9592767487296663
Energy: 0.8939605132367148
Energy: 0.9626165457734598
Energy: 0.9227808228708129
Energy: 0.9802488389020858
Energy: 0.9414907036388763
Energy: 0.9484844903908701
Energy: 0.9053635961172979
Energy: 0.912223237145933
Energy: 0.9168497173647107
Energy: 0.930292183142734
Energy: 0.9317119197966957
Energy: 0.9307175035070588
Energy: 0.9726628400015035
Energy: 0.9302985622883657
Energy: 0.9392071731081237
Energy: 0.9329928951533165
Energy: 0.9478995161638065
Energy: 0.940896368704872
Energy: 0.9223662331570897
Energy: 0.9227245724128949
Energy: 0.914909661568022
Energy: 0.9168804402051117
Energy: 0.906939155987964
Energy: 0.8964633466627344
Energy: 0.9139532394315001
Energy: 0.9092377967479601
Energy: 0.9213713253990824
Energy: 0.8977320483524867
Energy: 0.8970182947872688
Energy: 0.9099471860144108
Energy: 0.9049274790864936
Energy: 0.908795835864825
Energy: 0.9517399658166971
Energy: 0.9336972973051592
Energy: 0.9126893798467225
Energy: 0.939968019070704
Energy: 0.9237480354120993
Energy: 0.9592129805987096
Energy: 0.9449513986973287
Energy: 0.9249198523761976
Energy: 0.9080159561500911
Energy: 0.9116374706356096
Energy: 0.9151963333560721
Energy: 0.9870829277513004
Energy: 0.9270721551777035
Energy: 0.9750546130663535
Energy: 0.9509062192604651
Energy: 0.9332297318027177
Energy: 0.922043762529375
Energy: 0.949088350441587
Energy: 0.9051211292230716
Energy: 0.9015762970387253
Energy: 0.9497912710353811
Energy: 0.9604557550596793
Energy: 0.9656360660728807
Energy: 0.930693347593729
Energy: 0.9407190168587849
Energy: 0.9294122273155949
Energy: 0.9242942076754467
Energy: 0.9239577841607703
Energy: 0.9014066833092742
Energy: 0.9059323994147812
Energy: 0.919097619901461
Energy: 0.9359272210393106
Energy: 0.9139201356988524
Energy: 0.9112802895853258
Energy: 0.9314464275478155
Energy: 0.9045926350652403
Energy: 0.9200974472444753
Energy: 0.9268025812408329
Energy: 0.8941633147181763
Energy: 0.9264320088538239
Energy: 0.8970245746767057
Energy: 0.9176247289977202
Energy: 0.9348351359491036
Energy: 0.9460793358601535
Energy: 0.9319556136687509
Energy: 0.9300720774389809
Energy: 0.9268039778212279
Energy: 0.9404024021540585
Energy: 0.937607082094006
Energy: 0.9283598567311038
Energy: 0.9316675005703784
Energy: 0.9252533813995631
Energy: 0.925246951787703
Energy: 0.9833542464819002
Energy: 0.9402135244834133
Energy: 1.0084283268103555
Energy: 0.9613343757639633
Energy: 0.928677490759744
Energy: 0.9292782554484952
Energy: 0.9284646537112965
Energy: 0.904314415488295
Energy: 0.9353479232692176
Energy: 0.952733238921106
Energy: 0.9355216258008713
Energy: 0.9198379168286231
Energy: 0.9171220908974533
Energy: 0.9057626234062526
Energy: 0.9309801692239146
Energy: 0.9111334361388119
Energy: 0.921947351189886
Energy: 0.9127376182831042
Energy: 0.9394525671511835
Energy: 0.9180458909117332
Energy: 0.9189277796590658
Energy: 0.9184694958206885
Energy: 0.9237395223966094
Energy: 0.9213858767457205
Energy: 0.9438214958612312
Energy: 0.9024105849536632
Energy: 0.9039129443128441
Energy: 0.8970105679597743
Energy: 0.9153686396086544
Energy: 0.8949428185903366
Energy: 0.9136835516229626
Energy: 0.9327341230820441
Energy: 0.9356364846861602
Energy: 0.9128137711082054
Energy: 0.9274969590611619
Energy: 0.9150840575621143
Energy: 0.9522841111978974
Energy: 0.9471811431051871
Energy: 0.9110512740460738
Energy: 0.9473276515365002
Energy: 0.9442832337418978
Energy: 0.9210344909368996
Energy: 0.9976850197817511
Energy: 0.9200196583679239
Energy: 1.020718998324838
Energy: 0.9401602666426141
Energy: 0.9437188775825169
Energy: 0.9327921559741494
Energy: 0.9227870832392728
Energy: 0.9192969648653421
Energy: 0.9230674863104628
Energy: 0.952276100995379
Energy: 0.9313366867617718
Energy: 0.9231259629793329
Energy: 0.9264683103301331
Energy: 0.8972877923714327
Energy: 0.9301308550830114
Energy: 0.9144876843496996
Energy: 0.92294033573192
Energy: 0.9191942914052703
Energy: 0.9186121992726434
Energy: 0.9123006347449345
Energy: 0.9115769250836462
Energy: 0.9173295332097992
Energy: 0.8979737921101596
Energy: 0.915426484381524
Energy: 0.9444394191846396
Energy: 0.9300850532274983
Energy: 0.9377053629793219
Energy: 0.9366867850704484
Energy: 0.9145583040176178
Energy: 0.9308612452626073
Energy: 0.903399066037173
Energy: 0.9509347847173203
Energy: 0.9306047694403601
Energy: 0.9235451780772397
Energy: 0.9396484054639983
Energy: 0.9115325973547914
Energy: 0.9147325164084196
Energy: 0.9325547785665387
Energy: 0.9237589811909328
Energy: 0.9327417426301202
Energy: 0.910814036152419
Energy: 0.9427004888771195
Energy: 1.0149428211827076
Energy: 0.8938833722194718
Energy: 0.9709048249949332
Energy: 0.9636608228954364
Energy: 0.9285316412730333
Energy: 0.9187343191182237
Energy: 0.942177539427042
Energy: 0.9809873476277455
Energy: 0.9290817543989941
Energy: 0.9269490367973339
Energy: 0.9192628655790176
Energy: 0.9308999719484
Energy: 0.9354891527668993
Energy: 0.9053022942350292
Energy: 0.9150760053973459
Energy: 0.9344870014196218
Energy: 0.9212730591885386
Energy: 0.9373816804023162
Energy: 0.891303261424313
Energy: 0.917901878788003
Energy: 0.9219797224287828
Energy: 0.9131994947131408
Energy: 0.9330902779018321
Energy: 0.9120895253622096
Energy: 0.9274418655030621
Energy: 0.9318846615049181
Energy: 0.9446955992243908
Energy: 0.911947631487894
Energy: 0.9238642853587006
Energy: 0.929567972103044
Energy: 0.9439665968738746

minimum gb energy = 0.8802772879051562 eV
minimum distance =  2.5507280547043 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.8653615359650377
Energy: 0.996181829274118
Energy: 1.2721228860983333
Energy: 1.07022862062239
Energy: 0.899406436754186
Energy: 0.9667622925206666
Energy: 0.855644437925605
Energy: 0.9143280599008684
Energy: 0.9290142889415806
Energy: 0.8755153646557807
Energy: 0.9131746082662949
Energy: 0.9254029713755559
Energy: 0.9108976122790127
Energy: 0.9162752170819644
Energy: 0.9101706714244618
Energy: 0.8305664779566821
Energy: 0.8755051722264575
Energy: 0.9205014592606562
Energy: 0.9208867394713266
Energy: 0.9100410273913134
Energy: 0.9506466720843303
Energy: 0.9114910656336916
Energy: 0.8285198892992136
Energy: 0.8792078891938131
Energy: 0.8272096876983188
Energy: 0.9217981389041684
Energy: 0.8766507530155436
Energy: 0.9694222577080918
Energy: 0.9199766857926481
Energy: 0.855247097345639
Energy: 0.9213497427528011
Energy: 0.8777277542435614
Energy: 0.9249158651909793
Energy: 0.8770387702395547
Energy: 0.9096422577035375
Energy: 0.8549706413806648
Energy: 0.924629792206664
Energy: 0.8759060140011228
Energy: 0.8275883162060478
Energy: 0.920802437838635
Energy: 0.9095524279195483
Energy: 0.9352790986525883
Energy: 0.9123466347626829
Energy: 0.9027915687442919
Energy: 0.8753503698697451
Energy: 0.9213020046302038
Energy: 0.8559496617827606
Energy: 0.8574491800560176
Energy: 0.941605680644506
Energy: 0.856829052419431
Energy: 0.9244730674938664
Energy: 0.9736767816654923
Energy: 0.8284548675229477
Energy: 0.9718270044314025
Energy: 0.876018325509471
Energy: 0.9346432368312971
Energy: 0.8553453688401618
Energy: 0.9249305232942114
Energy: 0.9701981839468762
Energy: 0.8286610882860783
Energy: 0.9245853594317354
Energy: 0.8862306617703416
Energy: 0.9348391572193486
Energy: 0.9124004795131885
Energy: 0.8273333991110674
Energy: 0.875561552929834
Energy: 0.9141628406806234
Energy: 0.9210023496317287
Energy: 0.9090794789863048
Energy: 0.9094953608432741
Energy: 0.911280674538982
Energy: 0.894539447662246
Energy: 0.8817245326757852
Energy: 0.8285272417948364
Energy: 0.929516294138276
Energy: 0.9128754730430978
Energy: 0.9561386618293074
Energy: 0.9287267474420329
Energy: 0.8552595046017611
Energy: 0.8273089049964429
Energy: 0.8274148702689278
Energy: 0.9130803895937901
Energy: 0.8769046966086504
Energy: 0.9130400158273718
Energy: 0.856543399444098
Energy: 0.8559294398659769
Energy: 0.9731366713054493
Energy: 0.8824354926807497
Energy: 0.9225214400814348
Energy: 0.8779534668301079
Energy: 0.9095615738895227
Energy: 0.9113896767054442
Energy: 0.8281470878992384
Energy: 0.875276752513232
Energy: 0.9242517641558404
Energy: 0.85627540942601
Energy: 0.8563223245772027
Energy: 0.9152788217857999
Energy: 0.8548446613246977
Energy: 0.8962440494515345
Energy: 0.8748655681576046
Energy: 0.9228248319325842
Energy: 0.8554609952371155
Energy: 0.8555042110649934
Energy: 0.9152558270994599
Energy: 0.8554652305014218
Energy: 0.9512903701337685
Energy: 0.9706253520441717
Energy: 0.8793970236966732
Energy: 0.9056744939640201
Energy: 0.9668003373473619
Energy: 0.855761720695143
Energy: 0.9138138464940647
Energy: 0.928447956809236
Energy: 0.8755114545230275
Energy: 0.9130816069875096
Energy: 0.9266829196392391
Energy: 0.9107208318040974
Energy: 0.9151610505056006
Energy: 0.910105499973234
Energy: 0.8299450332485894
Energy: 0.8749809062530689
Energy: 0.9934850412995841
Energy: 0.9281288994927208
Energy: 0.9099039998665878
Energy: 0.950343642605102
Energy: 0.9116400847530606
Energy: 0.8284069966154477
Energy: 0.8794478166417619
Energy: 0.8272397835268795
Energy: 0.9215863871377211
Energy: 0.8765987523904644
Energy: 1.0057734975255048
Energy: 0.9201344275682038
Energy: 0.8552260932288211
Energy: 0.9212277173749078
Energy: 0.8767208054213529
Energy: 0.9249757262549291
Energy: 0.8786757754982139
Energy: 0.9096561048857706
Energy: 0.8549148726915975
Energy: 0.9247407550101987
Energy: 0.8758705306930571
Energy: 0.827647064450242
Energy: 0.920423566165263
Energy: 0.8554326430629196
Energy: 0.9340592666861827
Energy: 0.9122045511464494
Energy: 0.8977885170530615
Energy: 0.8753023107338508
Energy: 0.9210107755992413
Energy: 0.8560139704609607
Energy: 0.857507969889651
Energy: 0.9423377355439678
Energy: 0.8565831333364411
Energy: 0.9248824662987545
Energy: 0.9730074630899449
Energy: 0.8285274731824168
Energy: 0.9715691829515452
Energy: 0.8793286762003282
Energy: 0.934276644415171
Energy: 0.8553984289013745
Energy: 0.9249870396113008
Energy: 0.9701721369180674
Energy: 0.8284002711760535
Energy: 0.9246831468404306
Energy: 0.8863127570540754
Energy: 0.9344318003343357
Energy: 0.911580831935928
Energy: 0.892954992625068
Energy: 0.875325193051186
Energy: 0.9203873785895089
Energy: 0.9209034312316285
Energy: 0.9093226198284065
Energy: 0.9093317004680963
Energy: 0.9117654579468287
Energy: 0.8945033743149856
Energy: 0.8781487707476447
Energy: 0.828570306613728
Energy: 0.9281718328494871
Energy: 0.8755478635234143
Energy: 0.9561807922850518
Energy: 0.92879270412102
Energy: 0.8552832367351749
Energy: 0.8280201547445324
Energy: 0.8274554127071831
Energy: 0.9132207162914331
Energy: 0.8761399341781773
Energy: 0.9130233316335622
Energy: 0.8563717150107202
Energy: 0.8568902373779652
Energy: 0.9734853810184027
Energy: 0.8823907948074268
Energy: 0.9225694073582528
Energy: 0.8850491366453904
Energy: 0.9095219138787504
Energy: 0.9112669153651236
Energy: 0.8285517003722342
Energy: 0.8751182981904654
Energy: 0.9360555742461044
Energy: 0.8562738405964045
Energy: 0.8559555064206358
Energy: 0.9151723387274774
Energy: 0.8548796299298111
Energy: 0.8966343019013554
Energy: 0.8747741750397781
Energy: 0.8271120375678633
Energy: 0.8558929971468353
Energy: 0.8555914827531134
Energy: 0.9153809481457674

minimum gb energy = 0.8271120375678633 eV
minimum distance =  2.59985868314926 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.1074927873836307
Energy: 1.032604628160166
Energy: 0.8657236865964859
Energy: 0.8958918615244665
Energy: 0.8925291583188312
Energy: 0.894108966841155
Energy: 1.0508185763879017
Energy: 0.967237285655084
Energy: 0.9203923675817284
Energy: 0.9738661759496375
Energy: 0.8578825613608358
Energy: 0.8256826406318463
Energy: 0.8708942117072833
Energy: 0.8865888231759014
Energy: 0.959482285142581
Energy: 0.8866295525678669
Energy: 0.8925286405128263
Energy: 0.9233613407889446
Energy: 0.87811349117259
Energy: 0.8862996293937678
Energy: 0.8924425917399871
Energy: 1.0546184617577552
Energy: 0.8780912683307402
Energy: 0.917422584740551
Energy: 0.9185778144818675
Energy: 0.918383598953127
Energy: 0.8917839573099354
Energy: 0.8690451217505674
Energy: 0.8701189341845071
Energy: 0.8596300097793725
Energy: 0.9157812437730344
Energy: 0.8461980999727587
Energy: 0.8474175650272083
Energy: 0.8915971517120351
Energy: 0.8866639825438268
Energy: 0.8469779073374366
Energy: 0.8255010945694438
Energy: 0.9390700612674664
Energy: 0.876343216892695
Energy: 0.799495521558212
Energy: 0.8804458043168212
Energy: 0.8690700259102794
Energy: 0.9652137393548761
Energy: 0.8503510917822713
Energy: 0.8924596440777052
Energy: 0.9544297469824956
Energy: 0.8467334932311948
Energy: 0.8468969743494719
Energy: 0.8684338254527904
Energy: 0.8665589878758876
Energy: 0.8470358403114143
Energy: 0.8930585729869193
Energy: 0.9168164389525779
Energy: 0.8895826313232742
Energy: 0.8707292217867048
Energy: 0.8730791155652273
Energy: 0.9054970639336354
Energy: 0.855520373289546
Energy: 0.93397912096215
Energy: 0.9172531700157139
Energy: 0.8036262025161124
Energy: 0.972259104920154
Energy: 0.8836613366422027
Energy: 1.069277146571338
Energy: 0.9459227745871713
Energy: 0.8693341128449841
Energy: 0.8975478892671063
Energy: 0.8924115240319017
Energy: 0.8926296561485658
Energy: 0.8698154055421191
Energy: 0.928472022361736
Energy: 0.8844488684141679
Energy: 0.9004966878286723
Energy: 0.9221972274220542
Energy: 0.8465782570911289
Energy: 0.8465140935755261
Energy: 0.8959479685916593
Energy: 0.8927989264485852
Energy: 0.9140584275560071
Energy: 0.986916127009147
Energy: 0.8308785675853212
Energy: 0.9393312012069264
Energy: 1.0176909372385252
Energy: 0.8800768491847819
Energy: 1.0176698764303973
Energy: 0.8858372184476044
Energy: 0.8654571070760755
Energy: 0.9872152000772996
Energy: 0.9243751648407655
Energy: 0.864867502893985
Energy: 0.8466924099355381
Energy: 0.8460889588131558
Energy: 0.8786324827127872
Energy: 0.9058186369058875
Energy: 0.9375000095798957
Energy: 0.873207614328511
Energy: 0.8901592482385455
Energy: 0.8869030271375657
Energy: 0.8925782779799284
Energy: 0.9193130935031756
Energy: 0.9014930495359814
Energy: 0.7950141748957422
Energy: 0.9232172547195965
Energy: 0.9654400962962406
Energy: 0.8659400764382186
Energy: 0.9371418518507989
Energy: 0.8044038190835171
Energy: 0.8913286423139379
Energy: 0.8856460600221628
Energy: 0.8843926188022518
Energy: 0.885398642103434
Energy: 0.8868107087170158
Energy: 0.8699847123025014
Energy: 0.8770507788657387
Energy: 0.8952313951293136
Energy: 0.8454659442142101
Energy: 0.7788974354349787
Energy: 0.8759006717600928
Energy: 0.9276690350036709
Energy: 0.8477237016359775
Energy: 0.818796136085053
Energy: 0.9062289862978322
Energy: 0.8444084103944803
Energy: 0.8781428567411494
Energy: 0.8809354800032743
Energy: 0.8633590011726543
Energy: 1.032609173035168
Energy: 0.8460079350000553
Energy: 0.9175114707873981
Energy: 0.840983806477807
Energy: 0.8468620668271353
Energy: 0.8469486510703222
Energy: 0.8700585933129518
Energy: 1.1030537535315172
Energy: 0.8478668278484465
Energy: 0.8849161451122933
Energy: 0.9341325621628607
Energy: 0.8999496868100697
Energy: 0.8703853826737731
Energy: 0.8827900445119571
Energy: 0.8924928756332868
Energy: 0.8186086156405197
Energy: 0.9371642567396256
Energy: 0.9242927335873848
Energy: 0.877371175087693
Energy: 0.8684985930551193
Energy: 0.8998170374998093
Energy: 0.9565687011959733
Energy: 0.8499061115181022
Energy: 0.9143515230476371
Energy: 0.9273116289039901
Energy: 0.820928454196824
Energy: 0.8765491607044498
Energy: 0.9195346161194144
Energy: 0.8183403764342863
Energy: 0.8448661600031024
Energy: 0.8635862509771292
Energy: 0.9003892798583161
Energy: 0.8939820563100773
Energy: 0.8890762422337597
Energy: 0.8706065254159675
Energy: 0.891878291333874
Energy: 0.9200846246174794
Energy: 0.8338152518844714
Energy: 0.9169809166723919
Energy: 1.017880982790972
Energy: 1.0178244474036857
Energy: 0.8790853954101581
Energy: 0.846128288322557
Energy: 0.9138931118000339
Energy: 0.8608340631992735
Energy: 0.9268361771669347
Energy: 0.934290315275391
Energy: 0.8889571589517593
Energy: 0.8955955548207809

minimum gb energy = 0.7788974354349787 eV
minimum distance =  2.57434709750919 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.8480746273475599
Energy: 0.9426013396789825
Energy: 0.8894282311374093
Energy: 0.874754343208544
Energy: 0.8812541994909566
Energy: 0.8447559438232203
Energy: 0.897570906253731
Energy: 0.9308725468562712
Energy: 0.9095205234552642
Energy: 0.8296196224063711
Energy: 0.8513502561936009
Energy: 0.8206715342921735
Energy: 0.8217992583638011
Energy: 0.8474235526462245
Energy: 0.9357430943981241
Energy: 0.8506178160230333
Energy: 0.91365325368942
Energy: 0.8212913587196077
Energy: 0.8140395979841675
Energy: 0.9026434337505458
Energy: 0.9127328182271678
Energy: 0.8517758707764895
Energy: 0.9413682607068449
Energy: 0.844680643414522
Energy: 0.8352834603888782
Energy: 0.8332268685140618
Energy: 0.8670998399365336
Energy: 0.9035544518521946
Energy: 0.8533313222341796
Energy: 0.8623771444405115
Energy: 0.844993888660712
Energy: 0.8889185927493888
Energy: 0.8792711766496295
Energy: 0.8821974867899629
Energy: 0.9443473804650617
Energy: 0.9329305839263137
Energy: 0.8792065940517497
Energy: 0.9012885658435654
Energy: 0.8188184799515439
Energy: 0.8593338635945986
Energy: 0.8976774430643336
Energy: 0.8473848856425639
Energy: 0.9093370215001033
Energy: 0.8787811671085107
Energy: 0.8570751970740763
Energy: 0.8445791460874623
Energy: 0.8675128098662998
Energy: 0.8717484693687096
Energy: 0.9043842195861057
Energy: 0.8311160979504432
Energy: 0.8551384409052365
Energy: 0.8392984787295411
Energy: 0.8379701595683186
Energy: 0.8827961109878516
Energy: 0.8272414931043314
Energy: 0.815945833597867
Energy: 0.8686292100825953
Energy: 0.8230257549997855
Energy: 0.9588218879571654
Energy: 0.8364682282302442
Energy: 0.8119960199000567
Energy: 0.9235223338390075
Energy: 0.8177595349843348
Energy: 0.9385550145452876
Energy: 0.8624673814461297
Energy: 0.901977773585362
Energy: 0.8404442264074713
Energy: 0.8277904855806393
Energy: 0.8881820117167532
Energy: 0.8011813644452518
Energy: 0.9049916967687676
Energy: 0.8385907942672147
Energy: 0.8991299593932012
Energy: 0.8307022566972534
Energy: 0.8444016372994995
Energy: 0.9105543067909836
Energy: 0.8697488711230303
Energy: 0.8930815695101493
Energy: 0.8185271758102397
Energy: 0.9992374834633849
Energy: 0.8277186130568362
Energy: 0.8676001258185133
Energy: 0.9765499301531606
Energy: 0.8341007874812992
Energy: 0.8444878506977135
Energy: 0.8456891721945299
Energy: 0.8861008332149665
Energy: 0.8388581503424947
Energy: 0.8498375565047142
Energy: 0.8574981190834825
Energy: 0.8358697514343423
Energy: 0.9453676904731008
Energy: 0.8506514061417373
Energy: 0.8567874253770842
Energy: 0.8599456498587087
Energy: 0.8499990374486547
Energy: 0.8785356282779689
Energy: 0.8115140167649918
Energy: 0.9098036121131742
Energy: 0.8265280967093125
Energy: 0.9401240189758875
Energy: 0.818578511282828
Energy: 0.9115841043012862
Energy: 0.9124687126068959
Energy: 0.854640879441037
Energy: 0.8283405937519746
Energy: 0.8288229870093743
Energy: 0.8304063995449842
Energy: 0.8691307545683812
Energy: 0.8269192820188818
Energy: 0.8461599691778476
Energy: 0.9347122247233391
Energy: 0.8506247285996366
Energy: 0.8707198515412335
Energy: 0.8375493471651672
Energy: 0.8328531183483106
Energy: 0.8280040243256753
Energy: 0.8744142533236151
Energy: 0.9008266130608527
Energy: 0.9333859785768266
Energy: 0.9467010907540381
Energy: 0.8699941711973181
Energy: 0.8293869557147913
Energy: 0.8304552137338781
Energy: 0.882738425979479
Energy: 0.886699890302001
Energy: 0.9421748165503219
Energy: 0.8883575636778521
Energy: 0.9607390936458238
Energy: 0.9167598221630607
Energy: 0.8412556697005468
Energy: 0.873874814701931
Energy: 0.8972434023418894
Energy: 0.8138475776430443
Energy: 0.8202205462488781
Energy: 0.889824542409552
Energy: 0.8259419297699538
Energy: 0.9294521113978521
Energy: 0.8574931506216864
Energy: 0.8365735822157556
Energy: 0.945305821458831
Energy: 0.9348571345458986
Energy: 0.8261528858945612
Energy: 0.8206862414682419
Energy: 0.82042749720439
Energy: 0.8164361316706681
Energy: 0.9144084984478524
Energy: 0.8104711545101192
Energy: 0.9524195817068549
Energy: 0.8636264275252556
Energy: 0.8543192890481621
Energy: 0.8531814862176077
Energy: 0.8230125448584353
Energy: 0.8680142963733716
Energy: 0.808073650675089
Energy: 0.8156486363190447
Energy: 0.8300890043506298
Energy: 0.8796075443974315
Energy: 0.891878859539578
Energy: 0.8228597280768416
Energy: 0.8149440695864099
Energy: 0.8667915915235198
Energy: 0.9049926407668563
Energy: 0.8364084792041299
Energy: 0.9070913377636352
Energy: 0.8663800724953283
Energy: 0.82249965944503
Energy: 0.8512710355802073
Energy: 0.8222099359971116
Energy: 0.9447333642808937
Energy: 0.9268833258333267
Energy: 0.8204410724952155
Energy: 0.8263807832445537
Energy: 0.8810514830693749
Energy: 0.9452747175843366
Energy: 0.8169520988151553
Energy: 0.8322872187252467
Energy: 0.825867520975614
Energy: 0.8314477214750787
Energy: 0.8615518895584329
Energy: 0.8680738829634371
Energy: 0.879362045423632
Energy: 0.8155828860836167
Energy: 0.8379296810972607
Energy: 0.8292656564570423
Energy: 0.85037760454999
Energy: 0.8466603825452652
Energy: 0.8793534281613266
Energy: 0.9187497488676181
Energy: 0.933587905856705
Energy: 0.8801801506212457
Energy: 0.8715384977896328
Energy: 0.8320850324030746
Energy: 0.8057990422566278
Energy: 0.8743708155469543
Energy: 0.847570922001158
Energy: 0.9599405888958387
Energy: 0.8826745987201635
Energy: 0.8569710638144666
Energy: 0.8899877063240281
Energy: 0.8716077618652527
Energy: 0.9002767077424324
Energy: 0.8502628824764205
Energy: 0.816375731391201
Energy: 0.8668116592164686
Energy: 0.8548914153486576
Energy: 0.8522711703765373
Energy: 0.8599033659825849
Energy: 0.8323002833249944
Energy: 0.8149794669441719
Energy: 0.8649280826686119
Energy: 0.8384067860715823
Energy: 0.9634727914900052
Energy: 0.8560814104006128
Energy: 0.8949618202456114
Energy: 0.9686775604952719
Energy: 0.8341625436302761
Energy: 0.9456301373608713
Energy: 0.848442146613913
Energy: 0.9391554457463439
Energy: 0.8228478377355508
Energy: 0.8415931423695414
Energy: 0.9121272170427168
Energy: 0.8341372570573901
Energy: 0.9072755224185547
Energy: 0.8425725699945535
Energy: 0.9231580112257038
Energy: 0.816510953284955
Energy: 0.8427682807488984
Energy: 0.8761175135597737
Energy: 0.816476026336044
Energy: 0.8554068993044213
Energy: 0.8308888229130862
Energy: 0.9993504268769509
Energy: 0.873171890679425
Energy: 0.8271332636173764
Energy: 0.9420057641665368
Energy: 0.8919056810605538
Energy: 0.8459691294670147
Energy: 0.8476183822569626
Energy: 0.8729337763229629
Energy: 0.8700388098053137
Energy: 0.8887598408595266
Energy: 0.8381703741049551
Energy: 0.8446105031302666
Energy: 0.974748241647436
Energy: 0.8715092833593764
Energy: 0.8671256999361107
Energy: 0.8511210349075018
Energy: 0.8359582664373986
Energy: 0.8780598715483063
Energy: 0.8578809439587739
Energy: 0.9057451855046351
Energy: 0.8446212187379257
Energy: 0.9278410839168925
Energy: 0.8215201337812978
Energy: 0.8074472227660184
Energy: 0.978737106007278
Energy: 0.8351464936446786
Energy: 0.8219518904750868
Energy: 0.872160483857465
Energy: 0.8388727563309977
Energy: 0.8848122589121644
Energy: 0.8436864711396629
Energy: 0.8454263273043563
Energy: 0.9265706669188495
Energy: 0.866412317088624
Energy: 0.9105393836723944
Energy: 0.8572570918788176
Energy: 0.842532071229767
Energy: 0.8286312661490697
Energy: 0.8584792515197619
Energy: 0.9093217556392212
Energy: 0.8535206630326846
Energy: 0.9342301269406166
Energy: 0.9482207478416056
Energy: 0.8376643925049048
Energy: 0.8349564001527631
Energy: 0.8797752811457211
Energy: 0.8906398495111707
Energy: 0.924245629891237
Energy: 0.9410197391774286
Energy: 0.8701322569682887
Energy: 0.9461915544040213
Energy: 0.8270046694645823
Energy: 0.8294562396626036
Energy: 0.9103611008524108
Energy: 0.853188205298311
Energy: 0.8247206481410655
Energy: 0.8464130960768647
Energy: 0.9572722799368394
Energy: 0.907257732450983
Energy: 0.8210829552070402
Energy: 0.8742780708529706
Energy: 0.9078172634645784
Energy: 0.9112539016471616
Energy: 0.8268457028756574
Energy: 0.8929549101230442
Energy: 0.8171899868247758
Energy: 0.8174221806733037
Energy: 0.8422145996314356
Energy: 0.9494547568318644
Energy: 0.9111119202562767
Energy: 0.8308612950491693
Energy: 0.8202729138507879
Energy: 0.8159406959918093
Energy: 0.814789379263781
Energy: 0.8464773507809599
Energy: 0.817076799415147
Energy: 0.8322268731064428
Energy: 0.9090373110558769
Energy: 0.8887102120555419
Energy: 0.8917332785118811
Energy: 0.854522587611309
Energy: 0.840605843216753

minimum gb energy = 0.8011813644452518 eV
minimum distance =  2.56128206503768 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.8650898758672778
Energy: 1.085939234704162
Energy: 0.7293876903784939
Energy: 0.7288307719497108
Energy: 0.7290412155454792
Energy: 0.7298930885501181
Energy: 0.7277916365368932
Energy: 0.726787894180999
Energy: 0.8720110255040463
Energy: 0.7281200903453553
Energy: 0.7275214662421445
Energy: 0.7283381116979114
Energy: 0.727925724848404
Energy: 0.8732871924768048
Energy: 0.8683538274275551
Energy: 0.8721664612991233
Energy: 0.7283067849374937
Energy: 0.7298500265042133
Energy: 0.7283837536355765
Energy: 0.7308416551811421
Energy: 0.7294232173593065
Energy: 0.8672218455521615
Energy: 0.8721620899342263
Energy: 0.7301035436437913
Energy: 0.7294715253614291
Energy: 0.7296165592570211
Energy: 0.7285821802207236
Energy: 0.728805356110122
Energy: 0.8224345956718241
Energy: 0.8732752178333111
Energy: 0.7361130578552374
Energy: 0.8724513608700843
Energy: 0.7283530312919084
Energy: 0.7351965647081425
Energy: 0.8709939798490302
Energy: 0.8654750438163256
Energy: 0.8730551390098675
Energy: 0.7295614871002579
Energy: 0.7289304039845917
Energy: 0.7290802062531342
Energy: 0.7292163984970699
Energy: 0.7287131415460569
Energy: 0.7271598283741179
Energy: 0.8718115492145739
Energy: 0.7282205731292014
Energy: 0.7272802358401738
Energy: 0.7274291727096438
Energy: 0.7278938236177235
Energy: 0.8725142556413309
Energy: 0.7281201293919703
Energy: 0.8720051385274804
Energy: 0.7279592292349437
Energy: 0.7302441962369478
Energy: 0.7279008848047582
Energy: 0.7276749809996422
Energy: 0.8722867047682714
Energy: 0.8660627122525658
Energy: 0.870066287105107
Energy: 0.7295555411487952
Energy: 0.728765438107493
Energy: 0.7290628513906756
Energy: 0.7297132576652929
Energy: 0.728541340123986
Energy: 0.9696878367174306
Energy: 0.8726420869198313
Energy: 0.7346958126432301
Energy: 0.873571933463529
Energy: 0.873200458515514
Energy: 0.7348792080829345
Energy: 0.8731503246347044
Energy: 0.8663728891164605
Energy: 0.8725053606163223
Energy: 0.728924875612873
Energy: 0.7293946786050693
Energy: 0.7295083208924659
Energy: 0.7296813021545844
Energy: 0.7291568199370735
Energy: 0.7282594782022245
Energy: 0.8715655734417086
Energy: 0.7278032322042017
Energy: 0.7282133523436465
Energy: 0.7286106328852209
Energy: 0.7277930669432424
Energy: 0.8722514411830719
Energy: 0.7276225874790814
Energy: 0.8720898073459417
Energy: 0.7278549108824934
Energy: 0.7273787222367688
Energy: 0.727627863529506
Energy: 0.7283162046695609
Energy: 0.8722649135254271
Energy: 0.8652285939289988
Energy: 0.8728993673533137
Energy: 0.7292782995463007
Energy: 0.7292111469793415
Energy: 0.7291264859701826
Energy: 0.7294520809545054
Energy: 0.7279957885172534
Energy: 0.8206855300741766
Energy: 0.8729167545400706
Energy: 0.7356091134303562
Energy: 0.7284836126278923
Energy: 0.7283064012555592
Energy: 0.7278935135402035
Energy: 0.8731413435108455
Energy: 0.8675487713437757
Energy: 0.8722913868866866
Energy: 0.7282919026334014
Energy: 0.7298848317183433
Energy: 0.728294566183286
Energy: 0.7303408994488418
Energy: 0.7292836626829963
Energy: 0.8678825849701388
Energy: 0.8717342689478446
Energy: 0.728136326137169
Energy: 0.7294096496554158
Energy: 0.730318163112097
Energy: 0.728403665933223
Energy: 0.7288029455529483
Energy: 0.8210589790684693
Energy: 0.8728032773697815
Energy: 0.7278975766959075
Energy: 0.7283322735978647
Energy: 0.7283790573020668
Energy: 0.7282695776183021
Energy: 0.872962550617824
Energy: 0.8651910840863138
Energy: 0.8727662661708446
Energy: 0.7293231411112366
Energy: 0.72891231897086
Energy: 0.7291716121761035
Energy: 0.7295993313579605
Energy: 0.7282052030329934
Energy: 0.726565620159176
Energy: 0.8727815132589337
Energy: 0.7282879716648933
Energy: 0.7273272676040957
Energy: 0.728000587719393
Energy: 0.7283896159403679
Energy: 0.8721971863233573

minimum gb energy = 0.726565620159176 eV
minimum distance =  2.6896716745722 Angstroms
sigma value = 23