Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.956557989120483
cohesive_energy=1.9185415322216013
mass=207.2
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=[6.76195444026432e-20, 1.003255771208022e-19, 1.267326524023902e-19, 1.501946065953594e-19, 1.7052767003978997e-19, 1.8838072427245199e-19, 2.0417017500052198e-19, 2.1819242490129e-19, 2.3084962030989e-19, 2.42309989772892e-19, 2.5253187669781196e-19, 2.61624229095762e-19, 2.69673564504978e-19, 2.7675198087398996e-19, 2.82926769621426e-19, 2.8824759822293995e-19, 2.9276733850745398e-19, 2.9652284053754995e-19, 2.99930670238068e-19, 3.02668790105574e-19, 3.04754824083042e-19, 3.0621600917324996e-19, 3.07077980202342e-19, 3.07359963289926e-19, 3.07053947552832e-19, 3.06054189333216e-19, 3.04226105793822e-19, 3.01406274917982e-19, 2.9739602680308e-19, 2.91990282839964e-19, 2.84966340476508e-19, 2.75875590255192e-19, 2.64274229248398e-19, 2.4961271087066397e-19, 2.31198894816102e-19, 2.08159594819182e-19, 1.79378093766006e-19, 1.4461005971988898e-19, 1.010683462083246e-19, 4.6329500854724396e-20, -2.2800575678453996e-20, -1.105506683989902e-19, -2.22825919726818e-19, -3.6805201636247997e-19, -5.57418079264842e-19, -8.080017091757099e-19, -1.1463189293877839e-18, -1.6127509997844e-18, -2.27321627361822e-18, -3.24065859052644e-18, -4.71637542280482e-18, -7.1026893450171e-18, -1.1271953490843599e-17, -1.94198227630506e-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: 0.004820300546487974
Energy: 0.37726189375317404
Energy: 0.19327286464497312
Energy: 0.49054899631023646
Energy: 0.48901898036475083
Energy: 0.1690628846815104
Energy: 0.0049618753718904856
Energy: 0.04358185653277274
Energy: 0.3824646993396535
Energy: 0.04364170032231101
Energy: 0.19327295104304382
Energy: 0.3787309483632786
Energy: 0.005194635955444288
Energy: 0.044464092758213385
Energy: 0.004988418371580374
Energy: 0.3806846602883543
Energy: 0.11321170055345714
Energy: 0.1128231349417624
Energy: 0.3782447911596188
Energy: 0.043624951442653194
Energy: 0.0443720499220459
Energy: 0.0048507462222272995
Energy: 0.37961292964863874
Energy: 0.19348956517023583
Energy: 0.49013883010744685
Energy: 0.3807090805019218
Energy: 0.043885159073788975
Energy: 0.005027101112099856
Energy: 0.043868160901779724
Energy: 0.381679791925163
Energy: 0.13812773262634798
Energy: 0.19319295423345162
Energy: 0.3793402951657406
Energy: 0.0051284162570197295
Energy: 0.043543432715974266
Energy: 0.004944485332739196
Energy: 0.37851170387811095
Energy: 0.11304787615799955
Energy: 0.11292678790519015
Energy: 0.37874348277264064
Energy: 0.043566127750449456
Energy: 0.044284020427359905

minimum gb energy = 0.004820300546487974 eV
minimum distance =  3.47128435965558 Angstroms
sigma value = 5


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

Energy: 0.6253046895752954
Energy: 0.5834224152140844
Energy: 0.6623979490448553
Energy: 0.6115177500074205
Energy: 0.667954400507755
Energy: 0.6177659839535251
Energy: 0.5842644456045298
Energy: 0.5685845371807847
Energy: 0.5845869823495374
Energy: 0.5781157443222898
Energy: 0.6247421544007634
Energy: 0.6222423044613499
Energy: 0.5744415959946255
Energy: 0.5973026883272812
Energy: 0.5739599128971468
Energy: 0.5993898065743886
Energy: 0.5912193945147617
Energy: 0.6058666559062376
Energy: 0.6096775653904591
Energy: 0.6068798763235075
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Energy: 0.5837536883629599
Energy: 0.6065309887690403
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Energy: 0.6176350119488595
Energy: 0.5920257212921729
Energy: 0.5764480471808836
Energy: 0.5827616172625701
Energy: 0.6045960077226681
Energy: 0.5929102503687086
Energy: 0.620165837231823
Energy: 0.5895694182982675
Energy: 0.6165494161907003
Energy: 0.6413627902097002
Energy: 0.6071633639982477
Energy: 0.6012126035874771
Energy: 0.5874314662317462
Energy: 0.5717537302245674
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Energy: 0.5763492039533941
Energy: 0.6056866471553465
Energy: 0.5776045419306034
Energy: 0.6065761118215787
Energy: 0.5797538661346144
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Energy: 0.6183203531447499
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Energy: 0.6095171704041438
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Energy: 0.6180478306353004
Energy: 0.604095141094547
Energy: 0.5838016674540748
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Energy: 0.5878809186162455
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Energy: 0.571330688385096
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Energy: 0.5896435663546894
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Energy: 0.6115533014983989
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Energy: 0.639984688066226
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Energy: 0.6132621170323024
Energy: 0.6197884514745224
Energy: 0.6007381466806827
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Energy: 0.581107407208158
Energy: 0.5816251811659868
Energy: 0.6067262258988967
Energy: 0.5900549901466907
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Energy: 0.5713760617244515
Energy: 0.592886816464637
Energy: 0.5703124461177054
Energy: 0.6115532299467831
Energy: 0.6105684111082826
Energy: 0.5792259130992388
Energy: 0.5946573452963556
Energy: 0.6031412659085625
Energy: 0.5775595855928021
Energy: 0.6044475544348922
Energy: 0.6264500080355891
Energy: 0.6158248961814726
Energy: 0.6096992584571127
Energy: 0.6215919912582833
Energy: 0.5790795623662371
Energy: 0.6109662828985715
Energy: 0.5677032580696674
Energy: 0.6262848043098124
Energy: 0.6189984864449731
Energy: 0.5754383933508632
Energy: 0.6047447577765769
Energy: 0.583106615281278
Energy: 0.5785526754204929
Energy: 0.603664945566337
Energy: 0.6265076733789964
Energy: 0.6030036385263654
Energy: 0.6119882745273859
Energy: 0.6143459865737398
Energy: 0.5864223708948305
Energy: 0.6021566220067683
Energy: 0.5714761472749336
Energy: 0.6111116891968894
Energy: 0.5951434873141233
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Energy: 0.5933440013995092
Energy: 0.6227591858213891
Energy: 0.6123582420040082
Energy: 0.6297924042613174
Energy: 0.6183601172483271
Energy: 0.5947696599476038

minimum gb energy = 0.5661980413333398 eV
minimum distance =  3.14367771538138 Angstroms
sigma value = 401


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

Energy: 0.6649372334976789
Energy: 0.5875814711565733
Energy: 0.6210259255064601
Energy: 0.5990235968224739
Energy: 0.6129510543955003
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Energy: 0.5909882750505919
Energy: 0.5833866385447414
Energy: 0.572415378316433
Energy: 0.6018018147977472
Energy: 0.6068222804947111
Energy: 0.6095278228283028
Energy: 0.599100569991787
Energy: 0.5884943177508336
Energy: 0.5775356495994951
Energy: 0.57139593594211
Energy: 0.6016328780404744
Energy: 0.6225443054821382
Energy: 0.5972206966499183
Energy: 0.6171247018318252
Energy: 0.592281283958596
Energy: 0.5767606784696452
Energy: 0.6116136936668976
Energy: 0.6349404094905935
Energy: 0.6152549807710279
Energy: 0.5833257960588722
Energy: 0.5973332972834204
Energy: 0.6351431346225341
Energy: 0.594642026719005
Energy: 0.5842658376285359
Energy: 0.6494571987785458
Energy: 0.5965101973130036
Energy: 0.6025636135312845
Energy: 0.6077794899556026
Energy: 0.5982406439005449
Energy: 0.5972519288069461
Energy: 0.6525849620938939
Energy: 0.5837686112021189
Energy: 0.5943271367846723
Energy: 0.5806175789888105
Energy: 0.5881498525741733
Energy: 0.5983040040234965
Energy: 0.6002965901822755
Energy: 0.5833647920317375
Energy: 0.6021666992497854
Energy: 0.5829147623390818
Energy: 0.5829893133803999
Energy: 0.5993801928654481
Energy: 0.6216059685796449
Energy: 0.5974094516481201
Energy: 0.5995649089530859
Energy: 0.5986775538310575
Energy: 0.5827916248300405
Energy: 0.597703858248449
Energy: 0.5863612739434555
Energy: 0.6027348891661526
Energy: 0.5811407160904203
Energy: 0.5809661497662668
Energy: 0.6266288696127007
Energy: 0.5975429260404127
Energy: 0.5966721171696271
Energy: 0.6095962365817856
Energy: 0.5795108369720785
Energy: 0.5898555797342852
Energy: 0.5925664451315568
Energy: 0.5915686415826945
Energy: 0.6189574805730401
Energy: 0.6033728401894028
Energy: 0.5987302134691146
Energy: 0.5893902696917189
Energy: 0.5920916672731394
Energy: 0.5859263377757038
Energy: 0.5963376665218633
Energy: 0.6172374080230032
Energy: 0.6867350107547022
Energy: 0.603436074736917
Energy: 0.5948869138486867
Energy: 0.6011315211407318
Energy: 0.5722613841658843
Energy: 0.5734561893686819
Energy: 0.6218736894417891
Energy: 0.5908301614729857
Energy: 0.6009626883097773
Energy: 0.5882195278402025
Energy: 0.5959387850225604
Energy: 0.5719772099900524
Energy: 0.5916771343452271
Energy: 0.6276429351807332
Energy: 0.599719837128214
Energy: 0.6090221762452768
Energy: 0.5794299393715222
Energy: 0.5974421016933436
Energy: 0.6107112571141977
Energy: 0.6106162753447039
Energy: 0.6322986841145162
Energy: 0.6040248958078798
Energy: 0.593076587972401
Energy: 0.6275586102876886
Energy: 0.6680705068766117
Energy: 0.5867866474982874
Energy: 0.6447225306462563
Energy: 0.5933482611200908
Energy: 0.5843983941255082
Energy: 0.5925560155460415
Energy: 0.5926686711063172
Energy: 0.5974672659362207
Energy: 0.612490474285764
Energy: 0.592820503762453
Energy: 0.5949965045375302
Energy: 0.5849831942227655
Energy: 0.5902088817000911
Energy: 0.6080582045374024
Energy: 0.5790455753384441
Energy: 0.5984979816563275
Energy: 0.6120647327916783
Energy: 0.5847791091022434

minimum gb energy = 0.5692763534799409 eV
minimum distance =  3.159270725118 Angstroms
sigma value = 311


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

Energy: 0.627161359891038
Energy: 0.6134051181830381
Energy: 0.6293786505397834
Energy: 0.590776459701681
Energy: 0.6245712578134363
Energy: 0.5994971888284092
Energy: 0.6232278428876182
Energy: 0.6185768724677343
Energy: 0.6002803915058603
Energy: 0.6049356402339804
Energy: 0.6190606286469594
Energy: 0.6205296562694288
Energy: 0.6109462946469031
Energy: 0.6419727104876686
Energy: 0.5919453083181235
Energy: 0.6191233025563331
Energy: 0.6126442115100732
Energy: 0.6200161804595848
Energy: 0.6014726046330469
Energy: 0.624720423918027
Energy: 0.6116237182129299
Energy: 0.5934496565333269
Energy: 0.5852039672314616
Energy: 0.6179540199055558
Energy: 0.6712599554460447
Energy: 0.6250816803348523
Energy: 0.5985319019000466
Energy: 0.6357442025470669
Energy: 0.6119419291694855
Energy: 0.6107705098080015
Energy: 0.5959284703135267
Energy: 0.5913810074274921
Energy: 0.6250540690937686
Energy: 0.6048033763595255
Energy: 0.625690908098224
Energy: 0.6062674730094036
Energy: 0.5901984789498622
Energy: 0.5943226150179173
Energy: 0.6009271260835243
Energy: 0.6082317391403235
Energy: 0.6067039569360376
Energy: 0.601813259117815
Energy: 0.6199464033646961
Energy: 0.6115158098002244
Energy: 0.6391509241326562
Energy: 0.6139232444729548
Energy: 0.5904907449002125
Energy: 0.6259764577160403
Energy: 0.6477784995388891
Energy: 0.6078940570894217
Energy: 0.6112123061751653
Energy: 0.6071064937236201
Energy: 0.5986261551667232
Energy: 0.6347463448734009
Energy: 0.6152891822101533
Energy: 0.6227382263853652
Energy: 0.6132019699540198
Energy: 0.6040982382346924
Energy: 0.5938393514217053
Energy: 0.6167877276533558
Energy: 0.6049489566218741
Energy: 0.6039486394931611
Energy: 0.6271427589770543
Energy: 0.6160535742883981
Energy: 0.6072583936319996
Energy: 0.6026770533400082
Energy: 0.5845342202230442
Energy: 0.6132544806214963
Energy: 0.6111984526935768
Energy: 0.6163855682812426
Energy: 0.6144600883195354
Energy: 0.604584639212007
Energy: 0.6188431489269244
Energy: 0.6193282510960068
Energy: 0.6038545262096218
Energy: 0.6034448748435313
Energy: 0.6036312030497981
Energy: 0.5990110394832374
Energy: 0.6125621031377727
Energy: 0.6027394354307852
Energy: 0.5845014554655075
Energy: 0.6066130699791225
Energy: 0.5982926470340533
Energy: 0.6005881418780192
Energy: 0.6000261625276601
Energy: 0.6135243165253366
Energy: 0.6033479339802753
Energy: 0.625126329385523
Energy: 0.6104068256002113
Energy: 0.6205104338351323
Energy: 0.6226090006531648
Energy: 0.6138985561088415
Energy: 0.6050717475600711
Energy: 0.6167386994730497
Energy: 0.6410584460761783
Energy: 0.6492610631903684
Energy: 0.6338467421482398
Energy: 0.6311592125296938
Energy: 0.6230626607220013
Energy: 0.62485582735067
Energy: 0.6127929693405113
Energy: 0.6054443795875604
Energy: 0.6032834169266369
Energy: 0.6041473227435807
Energy: 0.6290017174589402
Energy: 0.6025181374121988
Energy: 0.6346701554766051
Energy: 0.6067762072122345
Energy: 0.5889375930835818
Energy: 0.6080199128901149
Energy: 0.5839491637211041
Energy: 0.6047981864438913
Energy: 0.6096228807331314
Energy: 0.6001942232654178
Energy: 0.6250593515624012
Energy: 0.6265609090625345
Energy: 0.6074626341558853
Energy: 0.6138581499432799
Energy: 0.6264249407357239
Energy: 0.6018871531832938
Energy: 0.6287432492889826
Energy: 0.6106487477287833
Energy: 0.5867118051766286
Energy: 0.5978609312326508
Energy: 0.5892880050365769
Energy: 0.6245169813184279
Energy: 0.6268407749194663
Energy: 0.639944638333701
Energy: 0.6060317742702953
Energy: 0.6055984618820481
Energy: 0.5974242563621434
Energy: 0.6155482683795976
Energy: 0.6258746427394587
Energy: 0.6124623103937794
Energy: 0.6212176997861684
Energy: 0.6241893602703028
Energy: 0.6115718906923914
Energy: 0.6061715181781574
Energy: 0.6366601137091045
Energy: 0.6557093847193689
Energy: 0.6013402533108995
Energy: 0.6302477992457032
Energy: 0.6225122063777419
Energy: 0.607540927294049
Energy: 0.6050105331389358
Energy: 0.6173223443741065
Energy: 0.6062754166911277
Energy: 0.6032784171219766
Energy: 0.6311483064797768
Energy: 0.5981367534162051
Energy: 0.5845920059645394
Energy: 0.6206726449565608
Energy: 0.6142743223735123
Energy: 0.6190065835413389
Energy: 0.6131150869742608
Energy: 0.6109446779623677
Energy: 0.6089205305792678
Energy: 0.6279795108821856
Energy: 0.6171201135450265
Energy: 0.6247186049905653
Energy: 0.6093456986862426
Energy: 0.630182411871795
Energy: 0.6251877555857764
Energy: 0.6124045475362427
Energy: 0.6013049111521819
Energy: 0.6065025518318139
Energy: 0.5900638711496388
Energy: 0.611905533222742
Energy: 0.6296372987131749
Energy: 0.6196687241159694
Energy: 0.604462634865611
Energy: 0.622832748877206
Energy: 0.606625406378377
Energy: 0.6139358544816333
Energy: 0.625962464601746
Energy: 0.6066895128131661
Energy: 0.6135310198745723
Energy: 0.6033635477513406
Energy: 0.6388776960506242
Energy: 0.6647003365773465
Energy: 0.6097666504029943
Energy: 0.6294108947498779
Energy: 0.6081975880351319
Energy: 0.6254056617919672
Energy: 0.6071405836168675
Energy: 0.6035393539051822
Energy: 0.609770454835106
Energy: 0.6134048079661958
Energy: 0.6035913532382542
Energy: 0.5994266619115238
Energy: 0.6098198882126841
Energy: 0.6276637926298297
Energy: 0.595432378369946
Energy: 0.5980793220238461
Energy: 0.6014035971862318
Energy: 0.5973776753279179
Energy: 0.6193865462854046
Energy: 0.6346955038665932
Energy: 0.612788884688619
Energy: 0.6274907631744752
Energy: 0.6124331175417378
Energy: 0.6039612985173796
Energy: 0.6140237870795217
Energy: 0.6261571691939025
Energy: 0.6200126415761519
Energy: 0.5918059797188151
Energy: 0.6105162386823794
Energy: 0.6078349830145909
Energy: 0.5994544091736683
Energy: 0.6132288113506189
Energy: 0.5962824070406915
Energy: 0.6254003995937065
Energy: 0.6080160220978115
Energy: 0.6218724658954152
Energy: 0.603603975097607
Energy: 0.6393575194586367
Energy: 0.6240587033234305
Energy: 0.6016519468973144
Energy: 0.6107342895218039
Energy: 0.5966916531023573
Energy: 0.6404946265127698
Energy: 0.6241411741300791
Energy: 0.6228702345433261
Energy: 0.633698659331777
Energy: 0.6053706199003653
Energy: 0.6123397600515424
Energy: 0.5977953255230384
Energy: 0.6334756470142241
Energy: 0.5987559406172358
Energy: 0.6061795093269045
Energy: 0.6270956669660293
Energy: 0.6143999478661342
Energy: 0.59999797480348
Energy: 0.6181970847801801
Energy: 0.5994742466823434
Energy: 0.6131508776777637
Energy: 0.6209109337697704
Energy: 0.5985380480313459
Energy: 0.6106759839648365
Energy: 0.6243602812805298
Energy: 0.6177945536770062
Energy: 0.609026860252402
Energy: 0.6044253354308027
Energy: 0.6045319039294561
Energy: 0.6169468127361324
Energy: 0.5988837358913561
Energy: 0.6353581221853489
Energy: 0.6288197028508086
Energy: 0.6391968454395004
Energy: 0.6137955143469931
Energy: 0.5908902514278567
Energy: 0.6414869338267443

minimum gb energy = 0.5839491637211041 eV
minimum distance =  3.11632102633701 Angstroms
sigma value = 39


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

Energy: 0.5673339108607811
Energy: 0.6270688695128056
Energy: 0.7899525100190462
Energy: 0.6930521832374946
Energy: 0.5974708108421405
Energy: 0.6312015630796152
Energy: 0.5591823449607052
Energy: 0.5967345925804327
Energy: 0.6081857615496302
Energy: 0.6312699628783036
Energy: 0.5987564103287385
Energy: 0.597586754077198
Energy: 0.5935705757833808
Energy: 0.6017292592494294
Energy: 0.5936928805078702
Energy: 0.5567337950086995
Energy: 0.5773712632556076
Energy: 0.6372160320458322
Energy: 0.6028358590874117
Energy: 0.5938941839077005
Energy: 0.5935805238491352
Energy: 0.5964668034935307
Energy: 0.5839832474868345
Energy: 0.6327082705732013
Energy: 0.5932924115912048
Energy: 0.6302869330281088
Energy: 0.6309643005244604
Energy: 0.6208477631586355
Energy: 0.5939037989192497
Energy: 0.5970685053846316
Energy: 0.6377555992161892
Energy: 0.5782681424539032
Energy: 0.5762775965091522
Energy: 0.6305978361733957
Energy: 0.5940308601488709
Energy: 0.558833406471161
Energy: 0.5974217982088407
Energy: 0.577878336527102
Energy: 0.5830320717775115
Energy: 0.6082671114573233
Energy: 0.5937375589670725
Energy: 0.610187694441905
Energy: 0.5962404006029958
Energy: 0.593829174005648
Energy: 0.577497898694198
Energy: 0.6319931213520491
Energy: 0.5592195504642168
Energy: 0.5593893629645255
Energy: 0.6017204231267755
Energy: 0.5589867848186808
Energy: 0.608231472656458
Energy: 0.6121534289680022
Energy: 0.5828567107698753
Energy: 0.6363287957133982
Energy: 0.5780862645967106
Energy: 0.5975932337868282
Energy: 0.5589758274383136
Energy: 0.6084411186578228
Energy: 0.6122108070607802
Energy: 0.5830028859945133
Energy: 0.5968817096992715
Energy: 0.577770926730465
Energy: 0.610010911948856
Energy: 0.5960842028305098
Energy: 0.593125036250971
Energy: 0.5786056781293947
Energy: 0.6252735816575202
Energy: 0.6031179147409089
Energy: 0.5934608468711103
Energy: 0.5936018009150179
Energy: 0.5955959808576328
Energy: 0.5843098138095394
Energy: 0.5813921078187695
Energy: 0.5833330910160512
Energy: 0.608218669322189
Energy: 0.5964836817671191
Energy: 0.5965308757319161
Energy: 0.611707780019029
Energy: 0.59720427006239
Energy: 0.5834430958902348
Energy: 0.5843828362249953
Energy: 0.5976547212987362
Energy: 0.5775013008628741
Energy: 0.5963385699518622
Energy: 0.5592011919269589
Energy: 0.5976152532409627
Energy: 0.6358014421644934
Energy: 0.578805186043387
Energy: 0.637110966306882
Energy: 0.6306365029945777
Energy: 0.5938226500118916
Energy: 0.6222285435767206
Energy: 0.5571398162591441
Energy: 0.5773802318603184
Energy: 0.6477727844884617
Energy: 0.5592646881609975
Energy: 0.5593208835093643
Energy: 0.6016938434463057
Energy: 0.5587320263743133
Energy: 0.5935697345261903
Energy: 0.5772832026928234
Energy: 0.6316574056242206
Energy: 0.5591849244076788
Energy: 0.5590957746609743
Energy: 0.6020539253692492
Energy: 0.5591442487271631
Energy: 0.6324912934869509
Energy: 0.6356332621761552
Energy: 0.5778025904139819
Energy: 0.6023537185061538
Energy: 0.6313316635603335
Energy: 0.559256925356227
Energy: 0.5967380669594841
Energy: 0.6083990331989108
Energy: 0.6312561548875699
Energy: 0.624977827913273
Energy: 0.5975863526388174
Energy: 0.5936757157558729
Energy: 0.601993437042174
Energy: 0.5965339742627204
Energy: 0.5837284762295422
Energy: 0.5774248654756445
Energy: 0.6373522630409718
Energy: 0.6029463254890021
Energy: 0.5940226730119564
Energy: 0.5936545923842731
Energy: 0.596544048125121
Energy: 0.5569165874046679
Energy: 0.6327119001051822
Energy: 0.5814527157900597
Energy: 0.6301953108239396
Energy: 0.6307355989612283
Energy: 0.6209410267981095
Energy: 0.5935042149499333
Energy: 0.5972330426003808
Energy: 0.6377430011325917
Energy: 0.5778409239165624
Energy: 0.6023574116869398
Energy: 0.5778268170897606
Energy: 0.5936437831917328
Energy: 0.5588061820515245
Energy: 0.5972764829187632
Energy: 0.5777413065040303
Energy: 0.5829957995105322
Energy: 0.6085033097970608
Energy: 0.5591173003645429
Energy: 0.6103395999493955
Energy: 0.596052355087177
Energy: 0.5943436457270925
Energy: 0.5774720807397282
Energy: 0.6221365635573239
Energy: 0.5592135990639007
Energy: 0.5593874872239685
Energy: 0.6021612895386258
Energy: 0.5590616636100032
Energy: 0.6082512818272791
Energy: 0.6122378544460736
Energy: 0.5833968800242193
Energy: 0.6365320445979804
Energy: 0.5781698986871575
Energy: 0.5963318505930442
Energy: 0.5589051073977194
Energy: 0.6083883598311043
Energy: 0.6118099537375697
Energy: 0.5830278542859476
Energy: 0.5970054398513436
Energy: 0.5775615457736964
Energy: 0.610247476559397
Energy: 0.5962090268988636
Energy: 0.5937718736518496
Energy: 0.5780303620408235
Energy: 0.6252838210744971
Energy: 0.6030759964840758
Energy: 0.5935231410237325
Energy: 0.5935441217534533
Energy: 0.5956098918962202
Energy: 0.5842726109362498
Energy: 0.5818765620870215
Energy: 0.5834236486998854
Energy: 0.6082633627654173
Energy: 0.5776075281244224
Energy: 0.6184095752125944
Energy: 0.6090517117844046
Energy: 0.5973499559181447
Energy: 0.6352521883303374
Energy: 0.5846152200997341
Energy: 0.5973778940959551
Energy: 0.5838041007259608
Energy: 0.5964462932563768
Energy: 0.5592790254834399
Energy: 0.5976091952521306
Energy: 0.6358071933826029
Energy: 0.5789411340164308
Energy: 0.6370757032189253
Energy: 0.6448381641338226
Energy: 0.5936473597688315
Energy: 0.595682768293669
Energy: 0.5574677686835778
Energy: 0.577401186496751
Energy: 0.6479643432498012
Energy: 0.5592313165998729
Energy: 0.5593660098629178
Energy: 0.6018006084924616
Energy: 0.5587240856041213
Energy: 0.5935866769114116
Energy: 0.577234746001106
Energy: 0.5829615097685977
Energy: 0.5592228866054487
Energy: 0.5591206206274166
Energy: 0.6020845507049775

minimum gb energy = 0.5567337950086995 eV
minimum distance =  3.20803023968359 Angstroms
sigma value = 21


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

Energy: 0.7161740622613069
Energy: 0.6342793523424484
Energy: 0.581261398708953
Energy: 0.5892188734972384
Energy: 0.5814202929416468
Energy: 0.5820869330157703
Energy: 0.677562584449912
Energy: 0.5862615117076663
Energy: 0.6095224893803174
Energy: 0.642370690051532
Energy: 0.5876418196301825
Energy: 0.5453399636928291
Energy: 0.6364374410693683
Energy: 0.5847533126771494
Energy: 0.5814312660397065
Energy: 0.5905382344562766
Energy: 0.6078919910534092
Energy: 0.6039942522851676
Energy: 0.6478432208731664
Energy: 0.6331135812647625
Energy: 0.5898956871766734
Energy: 0.7084542866031805
Energy: 0.5500115858529528
Energy: 0.5857854049591843
Energy: 0.5997628921271885
Energy: 0.5969474819903464
Energy: 0.5867275421214293
Energy: 0.576257025929561
Energy: 0.5733737706720794
Energy: 0.5454917110483627
Energy: 0.5996851878712336
Energy: 0.5644591333509681
Energy: 0.5643133556315572
Energy: 0.5879869768309438
Energy: 0.5817853179177548
Energy: 0.5592029322543404
Energy: 0.5505229737248128
Energy: 0.6154176622288429
Energy: 0.563857882871282
Energy: 0.5394783007852458
Energy: 0.5829228925427752
Energy: 0.5800834993116666
Energy: 0.660326807408895
Energy: 0.5635287118222145
Energy: 0.5817498083376439
Energy: 0.5836465267200214
Energy: 0.5592827974539174
Energy: 0.5594335963325769
Energy: 0.5801028065783335
Energy: 0.581451225563318
Energy: 0.564440361142316
Energy: 0.6076647942696726
Energy: 0.6000372899999894
Energy: 0.5825882390707754
Energy: 0.5733719433082267
Energy: 0.5825489933411687
Energy: 0.5864886016045873
Energy: 0.5641015176118708
Energy: 0.6046913107333023
Energy: 0.626523807492338
Energy: 0.5420816929199238
Energy: 0.5823877654314356
Energy: 0.580530369549
Energy: 0.6389272892272121
Energy: 0.6155961845225091
Energy: 0.5571783280245853
Energy: 0.5921759161444095
Energy: 0.5816986150915406
Energy: 0.5813835613515462
Energy: 0.637315420729309
Energy: 0.6323688723615484
Energy: 0.5977060901701121
Energy: 0.5973693636896329
Energy: 0.6259984657802149
Energy: 0.5592317346079506
Energy: 0.5591667102601668
Energy: 0.5848371755950974
Energy: 0.5816688376567805
Energy: 0.6143030936302101
Energy: 0.5954183029001132
Energy: 0.5959630906601158
Energy: 0.6766330504543066
Energy: 0.6765880290402458
Energy: 0.6620315251406523
Energy: 0.6765676411359421
Energy: 0.6322943538859658
Energy: 0.550126235042133
Energy: 0.5956872605647633
Energy: 0.5642980386149237
Energy: 0.5818405234590672
Energy: 0.6223716523165408
Energy: 0.6766711230224035
Energy: 0.5895261195688266
Energy: 0.636972159568127
Energy: 0.6037556252547339
Energy: 0.6082364309840619
Energy: 0.5861392891249958
Energy: 0.5892669851485198
Energy: 0.5815151273918767
Energy: 0.5997954998484089
Energy: 0.5921063777805431
Energy: 0.6703089452930284
Energy: 0.6475028450419372
Energy: 0.6337026539361744
Energy: 0.6544921410196056
Energy: 0.6927848715741806
Energy: 0.5660444979493395
Energy: 0.5861160298103363
Energy: 0.6002181504886798
Energy: 0.5971713438480334
Energy: 0.5856653510524492
Energy: 0.5902701925980716
Energy: 0.5732863850619747
Energy: 0.6097207653566179
Energy: 0.5922500089972486
Energy: 0.5642236902309546
Energy: 0.5238581361029703
Energy: 0.581314585591304
Energy: 0.587234903837514
Energy: 0.5590402442100612
Energy: 0.5456077007970322
Energy: 0.6198812768625283
Energy: 0.5737064471008069
Energy: 0.5682118290007292
Energy: 0.5806177115083352
Energy: 0.5747292026371459
Energy: 0.6229511271019643
Energy: 0.5399225784833183
Energy: 0.5978400031420328
Energy: 0.6205704536919843
Energy: 0.5590148910068429
Energy: 0.5592841386881467
Energy: 0.580375368185796
Energy: 0.5708985125530369
Energy: 0.564251912213502
Energy: 0.5855828513501743
Energy: 0.6343805218950302
Energy: 0.5762316390942136
Energy: 0.573468792200962
Energy: 0.5850883008384281
Energy: 0.5816774401641468
Energy: 0.5397605037844065
Energy: 0.6117169351405729
Energy: 0.6063289429910772
Energy: 0.5643554635640267
Energy: 0.5763315283404041
Energy: 0.5971699715428525
Energy: 0.6327774366345049
Energy: 0.5715840311147794
Energy: 0.5940256091109375
Energy: 0.5918366252377202
Energy: 0.5539473257870653
Energy: 0.581131746933645
Energy: 0.5839352278365268
Energy: 0.6896242058747863
Energy: 0.5971034104122348
Energy: 0.6308313179279129
Energy: 0.5892782685798432
Energy: 0.6038892259549224
Energy: 0.5908179697985614
Energy: 0.577050709005913
Energy: 0.5814955512113706
Energy: 0.6216418446181764
Energy: 0.5529365973445036
Energy: 0.6148998634611614
Energy: 0.6772747186914829
Energy: 0.6774684089335792
Energy: 0.6757383283034901
Energy: 0.6770235648016647
Energy: 0.6117316893110986
Energy: 0.6141961422478251
Energy: 0.6214724345659473
Energy: 0.601503809533191
Energy: 0.590681390702465
Energy: 0.5811731261082823

minimum gb energy = 0.5238581361029703 eV
minimum distance =  3.1735700224791 Angstroms
sigma value = 113


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

Energy: 0.6975535715634933
Energy: 0.6424893514203084
Energy: 0.6304012106676495
Energy: 0.6361046227039363
Energy: 0.6087569781747869
Energy: 0.6690235567549572
Energy: 0.6422304531748905
Energy: 0.575956613808594
Energy: 0.5770412103887426
Energy: 0.5909632021516481
Energy: 0.563861887882583
Energy: 0.6635666854355301
Energy: 0.6269190401031135
Energy: 0.5494348734418973
Energy: 0.7108757525482247
Energy: 0.62571077425688
Energy: 0.6629014533821349
Energy: 0.6458218316839603
Energy: 0.6031708522779246
Energy: 0.6267186985632781
Energy: 0.6104364479783437
Energy: 0.6131741528769576
Energy: 0.5707511427621867
Energy: 0.6726502359067115
Energy: 0.6137118378536242
Energy: 0.6480023436371838
Energy: 0.6693402320949504
Energy: 0.5707937897108731
Energy: 0.5437835270772502
Energy: 0.5616258539143492
Energy: 0.5487288030275961
Energy: 0.5934284285334344
Energy: 0.5825774081359467
Energy: 0.5541730528985774
Energy: 0.6122905101246804
Energy: 0.6109838481707662
Energy: 0.5987514040053987
Energy: 0.6462253555982919
Energy: 0.5522785686077795
Energy: 0.5923176179805727
Energy: 0.549312889653889
Energy: 0.5706179098095827
Energy: 0.6070470021081044
Energy: 0.5585200710458867
Energy: 0.5942197854724479
Energy: 0.5604306397719441
Energy: 0.5513889497047283
Energy: 0.5998614910247183
Energy: 0.6182357996335189
Energy: 0.6286115023886745
Energy: 0.5621542780711669
Energy: 0.5534378889076603
Energy: 0.5960058474495741
Energy: 0.6232419037989698
Energy: 0.5516314862587408
Energy: 0.5747279764725112
Energy: 0.5661179895146704
Energy: 0.5589729230775966
Energy: 0.6007581623103981
Energy: 0.5526846182804169
Energy: 0.5492180155807146
Energy: 0.6572632709835656
Energy: 0.6398960137009198
Energy: 0.6149977029454488
Energy: 0.5673664213200418
Energy: 0.6015718290735688
Energy: 0.5546049773221182
Energy: 0.576531291810266
Energy: 0.582879084927378
Energy: 0.5697182011780212
Energy: 0.6123087840394572
Energy: 0.5573428495557795
Energy: 0.5541818937958245
Energy: 0.59991775610739
Energy: 0.56292925464694
Energy: 0.5968708516841508
Energy: 0.558434103634139
Energy: 0.5646823093774441
Energy: 0.5575689024497198
Energy: 0.6568140063888861
Energy: 0.5818791299209564
Energy: 0.6470170955091601
Energy: 0.68893541725428
Energy: 0.5624477297489064
Energy: 0.6242097118150112
Energy: 0.5571951108788786
Energy: 0.5971768428284334
Energy: 0.602623523615757
Energy: 0.5704021388250387
Energy: 0.5872416324502256
Energy: 0.5557182058514584
Energy: 0.6579100631420663
Energy: 0.5827287349671592
Energy: 0.5864098401448792
Energy: 0.5585855292628638
Energy: 0.5563175491130651
Energy: 0.5758597035831082
Energy: 0.5732463952916749
Energy: 0.5955593406319868
Energy: 0.6336767754106624
Energy: 0.5968343470303331
Energy: 0.5539167215872285
Energy: 0.5520316869091815
Energy: 0.6333914941036476
Energy: 0.598254292545692
Energy: 0.5429856987777425
Energy: 0.607707626100191
Energy: 0.6009340485741004
Energy: 0.5853364080599485
Energy: 0.5716874211001537
Energy: 0.6171247060494605
Energy: 0.6205122071331481
Energy: 0.610241457916531
Energy: 0.5577162921753118
Energy: 0.607791154435153
Energy: 0.5965428591543285
Energy: 0.5414861211958681
Energy: 0.6607217291715602
Energy: 0.5748190919803313
Energy: 0.6241146456597741
Energy: 0.5886870482976141
Energy: 0.6696418287819107
Energy: 0.6018856156741095
Energy: 0.6556840863414415
Energy: 0.6619379345652107
Energy: 0.5687060403771953
Energy: 0.5775875076506569
Energy: 0.5754024620897609
Energy: 0.6037988934804219
Energy: 0.5961483148707212
Energy: 0.5535543559649014
Energy: 0.5628670375160865
Energy: 0.5708720529012253
Energy: 0.5587600991815961
Energy: 0.5540324253854609
Energy: 0.7156453545028055
Energy: 0.6122488250506313
Energy: 0.5795546772469082
Energy: 0.6694960735603052
Energy: 0.6057883558573912
Energy: 0.6693373235131883
Energy: 0.5681823853505564
Energy: 0.5894665574280262
Energy: 0.5894045328944819
Energy: 0.5858545704841297
Energy: 0.5853106184883221
Energy: 0.5990454609783686
Energy: 0.6711269171582398
Energy: 0.5713924090630672
Energy: 0.5872260222351701
Energy: 0.5834941686684497
Energy: 0.5861848572961561
Energy: 0.543259540428113
Energy: 0.5994713939991093
Energy: 0.6276891765964044
Energy: 0.600508679562656
Energy: 0.5929453750215944
Energy: 0.5742132409724289
Energy: 0.6072663373865826
Energy: 0.6691642987279902
Energy: 0.6361548390711632
Energy: 0.6123592978658502
Energy: 0.571181672534241
Energy: 0.6256630919207747
Energy: 0.5775760730271032
Energy: 0.5458894363034802
Energy: 0.6268975141122671
Energy: 0.54851848476253
Energy: 0.625522249552387
Energy: 0.6256729669467525
Energy: 0.6633940268839923
Energy: 0.6569655785846774
Energy: 0.6006668900127469
Energy: 0.6264206727312722
Energy: 0.6102279901281312
Energy: 0.6468893229416774
Energy: 0.5519706129710197
Energy: 0.6454650521032863
Energy: 0.6138960426843356
Energy: 0.6484915766021616
Energy: 0.669204646817722
Energy: 0.5591797077832145
Energy: 0.5562011902701655
Energy: 0.6264975295391155
Energy: 0.5485085860727836
Energy: 0.5933636470150763
Energy: 0.5956610421225293
Energy: 0.5717888130296599
Energy: 0.6087195607093979
Energy: 0.611173457022351
Energy: 0.6244123203082046
Energy: 0.6063103059930421
Energy: 0.5537717029018727
Energy: 0.6350628477662458
Energy: 0.5493157331956509
Energy: 0.6274702319170262
Energy: 0.5927844958905293
Energy: 0.5546852724782566
Energy: 0.576999859330785
Energy: 0.5706453941611691
Energy: 0.5514899115769488
Energy: 0.6002421776084369
Energy: 0.6163879019552648
Energy: 0.6475496975608528
Energy: 0.5619360038249748
Energy: 0.5971237572034931
Energy: 0.5556883926548091
Energy: 0.5796460380035868
Energy: 0.5591115840095155
Energy: 0.5755329936043766
Energy: 0.5666346878273989
Energy: 0.595754826485579
Energy: 0.63005988541513
Energy: 0.5892576401438401
Energy: 0.6016038065634167
Energy: 0.6575914181988417
Energy: 0.6392240047066561
Energy: 0.5823014092420282
Energy: 0.5678115897400333
Energy: 0.5890065254366761
Energy: 0.5549851675572192
Energy: 0.576077881607883
Energy: 0.5618556521183042
Energy: 0.553066869121582
Energy: 0.6151540660796597
Energy: 0.5573573842003001
Energy: 0.5932527305403341
Energy: 0.600240491515251
Energy: 0.5509462067990469
Energy: 0.599861203958309
Energy: 0.5741294204671704
Energy: 0.5643716420929684
Energy: 0.5574860015620734
Energy: 0.657250304853658
Energy: 0.6000083040684314
Energy: 0.6145625392730665
Energy: 0.6895633949453418
Energy: 0.5955723005877049
Energy: 0.6504472682406488
Energy: 0.5569843641696386
Energy: 0.5970254127523202
Energy: 0.5375490207388302
Energy: 0.6281271882892813
Energy: 0.5740098034744322
Energy: 0.5554464262942965
Energy: 0.6572909207869545
Energy: 0.5749132936020082
Energy: 0.5599580124597948
Energy: 0.5738280960921527
Energy: 0.5657212622691296
Energy: 0.5765070172303038
Energy: 0.5733718668010326
Energy: 0.5951086780747563
Energy: 0.5670541135196622
Energy: 0.598994650241773
Energy: 0.5545136125970707
Energy: 0.5509737779608952
Energy: 0.6334557209183133
Energy: 0.5514616125132757
Energy: 0.543354505228344
Energy: 0.6079584691802177
Energy: 0.563673689937381
Energy: 0.587873307425954
Energy: 0.5544940140521222
Energy: 0.5719013052366115
Energy: 0.6198498357597623
Energy: 0.647106426116764
Energy: 0.5636981895964795
Energy: 0.6340631283111171
Energy: 0.6257805279799052
Energy: 0.5799919818394093
Energy: 0.6557709810717266
Energy: 0.5573512444455007
Energy: 0.6244630248552813
Energy: 0.6237578915792054
Energy: 0.6698782981615753
Energy: 0.5765715910351681
Energy: 0.6565834985201017
Energy: 0.5837184536850883
Energy: 0.5689600707197404
Energy: 0.576419074702951
Energy: 0.5719928389002997
Energy: 0.5951812422249815
Energy: 0.5758158106098423
Energy: 0.5789482400943352
Energy: 0.5991344416882513
Energy: 0.5521276425825113
Energy: 0.5583186957378292
Energy: 0.6505691944910356
Energy: 0.7184782021659026
Energy: 0.6349597664159495
Energy: 0.6070871257420093
Energy: 0.6695526273558263
Energy: 0.6472407543741501
Energy: 0.6928641368257324
Energy: 0.5692830558361567
Energy: 0.5633383295937553
Energy: 0.5511714934876243
Energy: 0.5862632289932126
Energy: 0.5802432284115377
Energy: 0.5994894657405295
Energy: 0.670289925336172
Energy: 0.5711084373293026
Energy: 0.5610139341670273
Energy: 0.6600210480010175
Energy: 0.5860447736603762
Energy: 0.5851314692209371
Energy: 0.5989993267766094
Energy: 0.627817729355838
Energy: 0.594754642596854
Energy: 0.6297296710541003
Energy: 0.5740917382157342
Energy: 0.6360297292670191
Energy: 0.6692452245982814
Energy: 0.6370296531384827

minimum gb energy = 0.5375490207388302 eV
minimum distance =  3.13730796791733 Angstroms
sigma value = 365


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

Energy: 0.6024861381602146
Energy: 0.7137055991993153
Energy: 0.5144957102695235
Energy: 0.5148621849148126
Energy: 0.5149188536980126
Energy: 0.514439855149114
Energy: 0.5153608225494887
Energy: 0.6053490697084339
Energy: 0.6189623878658347
Energy: 0.5149064093603806
Energy: 0.5147057468005619
Energy: 0.5143535634998929
Energy: 0.5147951054905917
Energy: 0.6189516445076052
Energy: 0.6051814234830365
Energy: 0.6193570575947834
Energy: 0.514538119761804
Energy: 0.5148807431136878
Energy: 0.5146829014790179
Energy: 0.5143768617379605
Energy: 0.5148178015853805
Energy: 0.5144340579861191
Energy: 0.6192557774875127
Energy: 0.5144979676513969
Energy: 0.5150413402941663
Energy: 0.5148419670580382
Energy: 0.5144582699808361
Energy: 0.5148253229421265
Energy: 0.6299166949163775
Energy: 0.6185477933497591
Energy: 0.5185558206850811
Energy: 0.618760653169307
Energy: 0.5147016291000327
Energy: 0.5191699179025066
Energy: 0.618082427375718
Energy: 0.6028031531027622
Energy: 0.618907164088678
Energy: 0.5143192053955661
Energy: 0.5150003653745756
Energy: 0.5148594437078896
Energy: 0.5146700210081662
Energy: 0.515231589066823
Energy: 0.6050602313127345
Energy: 0.6187181957669297
Energy: 0.5144141176396326
Energy: 0.5146272781077297
Energy: 0.5144624789212628
Energy: 0.5146712735541346
Energy: 0.6193033770867981
Energy: 0.6052381114636407
Energy: 0.6186484542964177
Energy: 0.5146661095674389
Energy: 0.5145314772754427
Energy: 0.5144741801387268
Energy: 0.5142248916790321
Energy: 0.619054757277615
Energy: 0.6033594466755675
Energy: 0.6185808801430348
Energy: 0.514314432055303
Energy: 0.5149606124828693
Energy: 0.5151305491356694
Energy: 0.5144361857117918
Energy: 0.5153031814267511
Energy: 0.6298938436034326
Energy: 0.6188069000238695
Energy: 0.6003979602289058
Energy: 0.618813537010323
Energy: 0.6200470970272149
Energy: 0.5998012853140564
Energy: 0.618769896520152
Energy: 0.6036179509381706
Energy: 0.6189705896261027
Energy: 0.514308850966392
Energy: 0.5148310934041515
Energy: 0.5148700484299076
Energy: 0.514463219342588
Energy: 0.5151891006102804
Energy: 0.6051240068848306
Energy: 0.6191709192342902
Energy: 0.5145161826581975
Energy: 0.514636444507582
Energy: 0.5146053711928675
Energy: 0.5146014613753604
Energy: 0.6192320614885679
Energy: 0.5141646765192057
Energy: 0.6187880606478448
Energy: 0.5148539970038317
Energy: 0.5146315189039317
Energy: 0.5146287546675136
Energy: 0.514830193988291
Energy: 0.6191749448076045
Energy: 0.6026022235075305
Energy: 0.6185647242360987
Energy: 0.5142959769688403
Energy: 0.5150050616132172
Energy: 0.5149009070931594
Energy: 0.5146937488388998
Energy: 0.5151259691343494
Energy: 0.6300286112336912
Energy: 0.6182637421524521
Energy: 0.5186983382116305
Energy: 0.5147621891850735
Energy: 0.5143519990158278
Energy: 0.5150273521555194
Energy: 0.6188180471557304
Energy: 0.5146671373121893
Energy: 0.6194137803828738
Energy: 0.5146471068978743
Energy: 0.5148384010248003
Energy: 0.5148351577323356
Energy: 0.5144573949517689
Energy: 0.5147108279893586
Energy: 0.6031338360644274
Energy: 0.6192652314555757
Energy: 0.5145585540404385
Energy: 0.5148666959237098
Energy: 0.5146419017918031
Energy: 0.5145532469336904
Energy: 0.514756967040131
Energy: 0.6301457323969123
Energy: 0.6195449188343953
Energy: 0.51506019186205
Energy: 0.51427318754824
Energy: 0.5147739808569548
Energy: 0.5148556716216
Energy: 0.6183042475201612
Energy: 0.602484943341316
Energy: 0.6182973191898954
Energy: 0.5144527964801224
Energy: 0.5148343812538215
Energy: 0.5149737030590694
Energy: 0.5144697736764058
Energy: 0.5151333340251674
Energy: 0.5142535947697067
Energy: 0.6189839647296613
Energy: 0.5148736113873165
Energy: 0.5147447999418583
Energy: 0.514464097415583
Energy: 0.5145757249422708
Energy: 0.6189884668261946

minimum gb energy = 0.5141646765192057 eV
minimum distance =  3.29075234857159 Angstroms
sigma value = 23