Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456787586208
cohesive_energy=4.178986868850123
mass=55.845
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=[0.0, 0.0, 2.1133190455450198e-23, 8.32032756509076e-20, 2.20296082821732e-19, 3.33994547653542e-19, 4.08463717601862e-19, 4.467621478609979e-19, 4.66331133268674e-19, 4.854066482730779e-19, 5.067075866221079e-19, 5.29453688295006e-19, 5.5267403425156795e-19, 5.7529356397038e-19, 5.963493692944079e-19, 6.15114062031816e-19, 6.31118204428842e-19, 6.441310830501899e-19, 6.54107836950108e-19, 6.611381880201e-19, 6.654015800431739e-19, 6.67708714396134e-19, 6.690561449453279e-19, 6.6949514134304395e-19, 6.6902089705938e-19, 6.67489216197276e-19, 6.64701428854116e-19, 6.60430025947872e-19, 6.54394626567594e-19, 6.46263580150044e-19, 6.3563153600682e-19, 6.22006625911284e-19, 6.04788033625686e-19, 5.832307470152159e-19, 5.56416718868592e-19, 5.23195586362602e-19, 4.82112573113574e-19, 4.3132197163913997e-19, 3.6844454963781e-19, 2.9038650402932996e-19, 1.93071897456804e-19, 7.105236805865159e-20, -1.008996370087644e-19, -3.5172263210875197e-19, -6.78364791188868e-19, -1.0811808361558798e-18, -1.5777610642744739e-18, -2.20917727355724e-18, -3.1257825258686396e-18, -4.641249360436559e-18, -6.8696527536018e-18, -1.0165586438001239e-17, -1.590942171442392e-17, -2.79454852855548e-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: 0.014279750046903414
Energy: 0.11597032171140079
Energy: 0.07605559946399608
Energy: 0.07508122702011687
Energy: 0.11581641743833122
Energy: 0.07523570227003416
Energy: 0.11641270397626757
Energy: 0.07488993526311295
Energy: 0.07737614431773311
Energy: 0.017797882317521677
Energy: 0.07696572404935131
Energy: 0.07451025394177062
Energy: 0.11623824504043914
Energy: 0.0154428343766975
Energy: 0.01611440493367501
Energy: 0.07756215269519445
Energy: 0.07438024501137992
Energy: 0.11542425449204126
Energy: 0.0755884935265595
Energy: 0.11827207414106557
Energy: 0.07482489419919021
Energy: 0.07435284386813051
Energy: 0.11579854808684452
Energy: 0.014589103352385243
Energy: 0.07565706416640837
Energy: 0.11567476669615405
Energy: 0.01463041191902428
Energy: 0.014654513507924374
Energy: 0.11559105565724596
Energy: 0.0763303735141187
Energy: 0.01671378038955096
Energy: 0.11601359172043375
Energy: 0.07460443756750135
Energy: 0.0751294979943446
Energy: 0.07668074397523908
Energy: 0.0747598629008347
Energy: 0.01574791989950721
Energy: 0.015065801274147163
Energy: 0.07460105132276336
Energy: 0.015630739193367025
Energy: 0.017629941602633887
Energy: 0.0754511027875861
Energy: 0.07450261032757151
Energy: 0.015478370900703826
Energy: 0.014616381685350477
Energy: 0.07438995676629573
Energy: 0.07615080746306396
Energy: 0.07578410421354967
Energy: 0.07464045237215475
Energy: 0.01448478276950322
Energy: 0.07440782420230048
Energy: 0.07656863457172283
Energy: 0.11901566585492367
Energy: 0.015194075757147088
Energy: 0.014867040931296302
Energy: 0.07471809212072165
Energy: 0.014758765923466128
Energy: 0.016757815375822358
Energy: 0.07425811129894529
Energy: 0.07739893663727006
Energy: 0.014556496922720265
Energy: 0.11611659511780378
Energy: 0.07511621180853309
Energy: 0.11564540242128603
Energy: 0.07509431599572011
Energy: 0.07434430226841875
Energy: 0.014939374149738711
Energy: 0.0174550262731726
Energy: 0.11602764875963834
Energy: 0.07479437647572842

minimum gb energy = 0.014279750046903414 eV
minimum distance =  2.5005413642582 Angstroms
sigma value = 3


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

Energy: 2.2303557782268837
Energy: 1.6738822561994988
Energy: 1.641623509775411
Energy: 1.5213503047618113
Energy: 1.5638023411325161
Energy: 1.5622682419265468
Energy: 1.553473706595523
Energy: 1.5957619476857796
Energy: 1.6298460924872729
Energy: 1.7183828269716555
Energy: 1.5737757941907344
Energy: 1.6663242648464498
Energy: 1.72002266497217
Energy: 1.8092136408750479
Energy: 1.6851730658524555
Energy: 1.6625915355167358
Energy: 1.5498766488818942
Energy: 1.5767234525433285
Energy: 1.5573444071470028
Energy: 1.590849432904367
Energy: 1.6915211402537187
Energy: 1.5278382864119633
Energy: 1.559030062332393
Energy: 1.591501992487975
Energy: 1.5931792568442407
Energy: 1.645624420981112
Energy: 1.8197839933874551
Energy: 1.6403540799743523
Energy: 1.6750191870978823
Energy: 1.6914848496015318
Energy: 1.7050897844584587
Energy: 1.6093861275161732
Energy: 1.7018719806298128
Energy: 1.7450511514996743
Energy: 1.5048696865239586
Energy: 1.5604283742271685
Energy: 1.5660235233641666
Energy: 1.7633964174466967
Energy: 1.656502990767663
Energy: 1.7634893794940396
Energy: 1.7246376429189931
Energy: 1.7526292673220534
Energy: 1.679338176387259
Energy: 1.6828308024437426
Energy: 1.5554065483490773
Energy: 1.54893650766612
Energy: 1.578080108033918
Energy: 1.4994608578287894
Energy: 1.6296493863574022
Energy: 1.5378163073207576
Energy: 1.463458941769528
Energy: 1.6740873923198516
Energy: 1.5892073643813094
Energy: 1.5255331611956575
Energy: 1.679886156484612
Energy: 1.5277810110204875
Energy: 1.582247512407494
Energy: 1.5071869264914493
Energy: 1.5226880371553801
Energy: 1.4660306148705158
Energy: 1.4876464654938737
Energy: 1.527077023582434
Energy: 1.446439261006539
Energy: 1.4405235603922686
Energy: 1.684504691411554
Energy: 1.5349365611132253
Energy: 1.525603911430352
Energy: 1.5703865918203237
Energy: 1.5114859527799245
Energy: 1.4381531550200077
Energy: 1.5586647211420683
Energy: 1.503556115353338
Energy: 1.4222735733697094
Energy: 1.4165873655802197
Energy: 1.4580776845868162
Energy: 1.4864825217534376
Energy: 1.4876501389672205
Energy: 1.6552059253973195
Energy: 1.6643225648336677
Energy: 1.4787777508241011
Energy: 1.6683866333113753
Energy: 1.5955293552885745
Energy: 1.4912041272389183
Energy: 1.4354932406813194
Energy: 1.484502339506868
Energy: 1.402503659358771
Energy: 1.3742305062566966
Energy: 1.5014365521519035
Energy: 1.4952213082219854
Energy: 1.4788611491545494
Energy: 1.4807768589995243
Energy: 1.5952995526419222
Energy: 1.5252820550533093
Energy: 1.5070290256199768
Energy: 1.5722741577274228
Energy: 1.4472276382395723
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Energy: 1.5174602466163232
Energy: 1.570364087538759
Energy: 1.4623113083727928
Energy: 1.5308578142777398
Energy: 1.4904198497068166
Energy: 1.5781214222854234
Energy: 1.5248279743496918
Energy: 1.6979045295765172
Energy: 1.5270244153874868
Energy: 1.5314820531752231
Energy: 1.5427284956235303
Energy: 1.5745222093038025
Energy: 1.4635951686626478
Energy: 1.511280352952468
Energy: 1.5556187748309405
Energy: 1.555772868827414
Energy: 1.5659251583125628
Energy: 1.595727486598934
Energy: 1.6595564631372408
Energy: 1.5696810099513319
Energy: 1.7682390945257527
Energy: 1.5776307886619656
Energy: 1.4977044993897912
Energy: 1.581706168545867
Energy: 1.6791543692252557
Energy: 1.5491062524868584
Energy: 1.5486223058049906
Energy: 1.5482116204981657
Energy: 1.6042533589212682
Energy: 1.5573317002716813
Energy: 1.5806299354760518
Energy: 1.6000312853795433
Energy: 1.6370624814045183
Energy: 1.811188979173966
Energy: 1.6271498239605255
Energy: 1.63441518344716
Energy: 1.6898813210157246
Energy: 1.6524186573096975
Energy: 1.6142103739775506
Energy: 1.6045113020526376
Energy: 1.559181059071201
Energy: 1.4899136905710118
Energy: 1.8288320689885122
Energy: 1.5428009439635246
Energy: 1.511061671976166
Energy: 1.5493808068104977
Energy: 1.562896343169515
Energy: 1.9910656344925575
Energy: 1.5679723624535742
Energy: 1.5777531948304764
Energy: 1.712206902290803
Energy: 1.4547226748220399
Energy: 1.5230514236907113
Energy: 1.7396796509384362
Energy: 1.5496650255626914
Energy: 1.5799259460098807
Energy: 1.6331218066876712
Energy: 1.6388846493526852
Energy: 1.7077895007276165
Energy: 1.6770266413213155
Energy: 1.6922962081315482
Energy: 1.7844934475340624
Energy: 1.6386931820315693
Energy: 1.8946368820819204
Energy: 1.8100628322314067
Energy: 1.6341765441852256
Energy: 1.5841997882944034
Energy: 1.582021951669815
Energy: 1.5361635839245467
Energy: 1.5469185986387401
Energy: 1.5389025436455859
Energy: 1.6085538880918735
Energy: 1.6049642706662897
Energy: 1.5720975078916115
Energy: 1.6605544598306399
Energy: 1.774019813943042
Energy: 1.734392193843433
Energy: 1.7578241322498989
Energy: 1.6902875227751424
Energy: 1.636554091313889
Energy: 1.7579374501317846
Energy: 1.7456087358071088
Energy: 1.4597734319082343
Energy: 1.56843789848316
Energy: 1.5802368175519759
Energy: 1.6715426294768618
Energy: 1.6844600503324358
Energy: 1.531190209652152
Energy: 1.7128848136517472
Energy: 1.750108406844869
Energy: 1.6907970417411566
Energy: 1.6897334004635536
Energy: 1.5548405302510173
Energy: 1.5388970489378029
Energy: 1.5558186073062434
Energy: 1.4548024915622304
Energy: 1.502993135672428
Energy: 1.4689424197068675
Energy: 1.5935566724798929
Energy: 1.7086108508987223
Energy: 1.576383833225582
Energy: 1.5215726113905133
Energy: 1.6957934456624186
Energy: 1.5331014785580859
Energy: 1.5164493660542513
Energy: 1.5780925362758456
Energy: 1.5110960160243279
Energy: 1.4398882646079492
Energy: 1.490851372539601
Energy: 1.560014980548167
Energy: 1.4626154517489884
Energy: 1.441654247191271
Energy: 1.6877810320938564
Energy: 1.4856059569989088
Energy: 1.492935701662856
Energy: 1.6515882912696938
Energy: 1.6513073260277364
Energy: 1.5022538554459433
Energy: 1.4963710233864929
Energy: 1.4671279374375832
Energy: 1.4122168561260176
Energy: 1.3943864659098426
Energy: 1.4424220843929154
Energy: 1.4087474777514544
Energy: 1.391521191505754
Energy: 1.5343483846260815
Energy: 1.4982837755623453
Energy: 1.478358297377164
Energy: 1.5283643787991472
Energy: 1.6001981509750638
Energy: 1.46608802909955
Energy: 1.4380556072586126
Energy: 1.4002444486900931
Energy: 1.4483462720611675
Energy: 1.4036377281504775
Energy: 1.4689609729353483
Energy: 1.4788976169042887
Energy: 1.4907367433227259
Energy: 1.6117018932225375
Energy: 1.596324001352016
Energy: 1.4931792257480536
Energy: 1.4905614056804675
Energy: 1.499695920047259
Energy: 1.646874786445872
Energy: 1.4221771305014894
Energy: 1.4817001447983174
Energy: 1.5520330471851012
Energy: 1.4540908477070826
Energy: 1.5202178368668118
Energy: 1.495524256257595
Energy: 1.5893828813443316
Energy: 1.5087586169996605
Energy: 1.7001588957266804
Energy: 1.6453464784927998
Energy: 1.5417406686525594
Energy: 1.7457195185681509
Energy: 1.6915862984556362
Energy: 1.4656168927550812
Energy: 1.5463825546647187
Energy: 1.5172176712432142
Energy: 1.5448656510529235
Energy: 1.5345833989289306
Energy: 1.5415534087391272
Energy: 1.7019922347684837
Energy: 1.6668864350319768
Energy: 1.688304887394677
Energy: 1.647724711186717
Energy: 1.6041708766095375
Energy: 1.6828959382669493
Energy: 1.6568788495445024
Energy: 1.5775572018974804
Energy: 1.5531455954740403
Energy: 1.5549690185494878
Energy: 1.716187237457773
Energy: 1.63532871843066
Energy: 1.5960926199666647
Energy: 1.4833393708911842
Energy: 1.6981749786192928
Energy: 1.6846449207165048
Energy: 1.706486699776055
Energy: 1.6080603617475524
Energy: 1.7039641677238453
Energy: 1.5886198550006803
Energy: 1.7550055503406055
Energy: 1.6457935008553304
Energy: 1.5476363954751289
Energy: 1.5214531046109367
Energy: 1.7063840619872437
Energy: 1.6419523242053404
Energy: 1.5546109733227784
Energy: 1.6064113004369118
Energy: 1.6858685252472885
Energy: 1.8368973707772858

minimum gb energy = 1.3742305062566966 eV
minimum distance =  2.25680969278184 Angstroms
sigma value = 75


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

Energy: 2.431078147901961
Energy: 1.628963964146574
Energy: 1.6999413548013005
Energy: 1.7180574153163797
Energy: 1.619237546227036
Energy: 1.6787591924617737
Energy: 1.4786614864483467
Energy: 1.6180503196202356
Energy: 1.6865810168692872
Energy: 1.6907497246705867
Energy: 1.8894196016724865
Energy: 1.8133284322366365
Energy: 1.804327421031841
Energy: 1.7789827138860281
Energy: 1.5123344119052977
Energy: 1.83016731135439
Energy: 1.7884618387280664
Energy: 1.7056860400969645
Energy: 1.6703160171048088
Energy: 1.6613416965926857
Energy: 1.6258299084036425
Energy: 1.5234324500051863
Energy: 1.6417372894351638
Energy: 1.5375621330820606
Energy: 1.8302109455555593
Energy: 1.735341541695984
Energy: 1.7196955878606244
Energy: 1.7400463927454168
Energy: 1.6491478701967646
Energy: 1.6272089111413497
Energy: 1.6914284638025527
Energy: 1.6717460277288017
Energy: 1.6660688911150845
Energy: 1.6105644729410975
Energy: 1.7142683199776734
Energy: 1.485133585997884
Energy: 1.492539300566868
Energy: 1.7881175635435698
Energy: 1.74851929510882
Energy: 1.7131237367955108
Energy: 1.7501233762814834
Energy: 1.648803614551035
Energy: 1.578504112556996
Energy: 1.5999745668057557
Energy: 1.5858139410011962
Energy: 1.483030320205879
Energy: 1.5220572396512413
Energy: 1.5437627668900782
Energy: 1.7999352327263707
Energy: 1.5259974306887922
Energy: 1.5952150508728724
Energy: 1.7182913058824536
Energy: 1.5822930129285715
Energy: 1.5504249415649938
Energy: 1.621325205226526
Energy: 1.4919225022068383
Energy: 1.454847846027177
Energy: 1.6023119266389283
Energy: 1.5411105989100047
Energy: 1.5235927566362402
Energy: 1.5126007639659442
Energy: 1.583726508256806
Energy: 1.568266231719482
Energy: 1.597738388311816
Energy: 1.8386192009311395
Energy: 1.4187909311691334
Energy: 1.5177732165721567
Energy: 1.5864038148810906
Energy: 1.6472685427396252
Energy: 1.4608517321512402
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Energy: 1.5344869721496657
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Energy: 1.5574939942567623
Energy: 1.6650294985911085
Energy: 1.6892151149616135
Energy: 1.6746409070208108
Energy: 1.7605678633128286
Energy: 1.6761473998317884
Energy: 1.460711449118163
Energy: 1.6646682909248844
Energy: 1.610044778658374
Energy: 1.5926597308369712
Energy: 1.6259994916839897
Energy: 1.6567483845668205
Energy: 1.6885486588797674
Energy: 1.8092350634527141
Energy: 1.750458187960204
Energy: 1.7192579377376196
Energy: 1.487561655184825
Energy: 1.8757966871477794
Energy: 1.821443497464324
Energy: 1.6088288818305614
Energy: 1.6941765933797457
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Energy: 1.6580390247372354
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Energy: 1.6935704176191002
Energy: 1.7578733384696754
Energy: 1.5715091330338344
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Energy: 1.84796250088443
Energy: 1.9889697648375542
Energy: 1.8250458351431391
Energy: 1.6958978149102075
Energy: 1.5834883730921248
Energy: 1.5105864160210054
Energy: 1.7604945237647422
Energy: 1.6752019680760106
Energy: 1.5880322186022764
Energy: 1.609162225907997
Energy: 1.7569162296978187
Energy: 1.8181363041099436
Energy: 1.5121994447054306
Energy: 1.7919930837468514
Energy: 1.9201702125975573
Energy: 1.8838517622624211
Energy: 1.75716997370104
Energy: 1.6098682464687315
Energy: 1.7116685186969456
Energy: 1.612598168759304
Energy: 1.7289812690979176
Energy: 1.5180203699207944
Energy: 1.6631118871532098
Energy: 1.7201585760306617
Energy: 1.6372930141921826
Energy: 1.5905705300576904
Energy: 1.8755776222958216
Energy: 1.9816428347923205
Energy: 1.723882645294779
Energy: 1.718221549665289
Energy: 1.649677280680814
Energy: 1.6651416729514918
Energy: 1.6105795505726654
Energy: 1.7240395625775635
Energy: 1.6128606484446264
Energy: 1.471819752706478
Energy: 1.496394580713011
Energy: 1.7730940391079721
Energy: 1.5722493694788806
Energy: 1.4635746344970777
Energy: 1.8028307884454977
Energy: 1.655163896024048
Energy: 1.5603803305662678
Energy: 1.737866495679529
Energy: 1.5531737913767
Energy: 1.502867254464996
Energy: 1.4718783505037
Energy: 1.513669506967782
Energy: 1.5531065421219377
Energy: 1.5226250375872707
Energy: 1.6373968200672038
Energy: 1.7232569360466048
Energy: 1.486523083389876
Energy: 1.8096114015248221
Energy: 1.6076554107386716
Energy: 1.5215274670611012
Energy: 1.5365157438899721
Energy: 1.618813482122296
Energy: 1.478778818289497
Energy: 1.4752663837860676
Energy: 1.5189453215601294
Energy: 1.586055984409671
Energy: 1.5859432216367362
Energy: 1.6086008900782975
Energy: 1.8342571304096789
Energy: 1.4261798259947305
Energy: 1.5655875046474355
Energy: 1.6079407922248252
Energy: 1.6941247745065
Energy: 1.4810204855737779
Energy: 1.5494464561656864
Energy: 1.549507227019813
Energy: 1.5616883157653103
Energy: 1.635258651743829
Energy: 1.6440406144848394
Energy: 1.6525086857943572
Energy: 1.6756824530128673
Energy: 1.7663563855255495
Energy: 1.7176648681127953
Energy: 1.7421637129840062
Energy: 1.8218250224995178
Energy: 1.7828391690141612
Energy: 1.6154031560757964
Energy: 1.593923948592986
Energy: 1.6989793936812747
Energy: 1.7823317797817926
Energy: 1.833615233773086
Energy: 1.7175838438914586
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minimum gb energy = 1.4187909311691334 eV
minimum distance =  2.29322016591279 Angstroms
sigma value = 105


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

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Energy: 1.8309964912471588
Energy: 1.7847259938823183
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Energy: 1.6849379352399882
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Energy: 1.6543794328940136
Energy: 1.68014113248378
Energy: 1.684135154667307
Energy: 1.6500871604832912
Energy: 1.6619613191624836
Energy: 1.9718523444809055
Energy: 1.6611537334077922
Energy: 1.6016214878825157
Energy: 1.7826558342305172
Energy: 1.6839366404770122
Energy: 1.7143148171883074
Energy: 1.6278755673582206
Energy: 1.5922775660830017
Energy: 1.704511255065261
Energy: 1.536462696840656
Energy: 1.525227963370379
Energy: 1.5255217818915403
Energy: 1.7967774973214758
Energy: 1.6336070331312813
Energy: 1.6781232915737907
Energy: 1.6427043403872654
Energy: 1.6254268795226405
Energy: 1.5659573525615587
Energy: 1.6287858350838698
Energy: 1.5481785675904323
Energy: 1.5360865645458173
Energy: 1.486591567263557
Energy: 1.577079002603197
Energy: 1.608077837003606
Energy: 1.4927926240898473
Energy: 1.6127404846287456
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Energy: 1.49401806598247
Energy: 1.5785522248902122
Energy: 1.5851782381907962
Energy: 1.4999677665309321
Energy: 1.4810011912500836
Energy: 1.5776421530725353
Energy: 1.5611419544113168
Energy: 1.5530999844366304
Energy: 1.6146253197714524
Energy: 1.664274441960291
Energy: 1.694851816099464
Energy: 1.7444072721969115
Energy: 1.8597035819018368
Energy: 1.4762066606419353
Energy: 1.5356189615618414
Energy: 1.5370857356879524
Energy: 1.6355699602364733
Energy: 1.606954104843089
Energy: 1.6454164832509826
Energy: 1.8154544054906296
Energy: 1.7527081706541296
Energy: 1.8072798395205318
Energy: 1.7566905757697278
Energy: 1.7635275526215173
Energy: 1.8446355488920467
Energy: 1.4942908705668283
Energy: 1.7468040766415354
Energy: 1.660373090483536
Energy: 1.5230972774726916
Energy: 1.6637630713954146
Energy: 1.6730573436719554
Energy: 1.7907449210574005
Energy: 1.7701218434487067
Energy: 1.7527409484911733
Energy: 1.8128844101670205
Energy: 1.8020026562967149

minimum gb energy = 1.4165328833174706 eV
minimum distance =  2.25752423769327 Angstroms
sigma value = 165


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

Energy: 1.9764965434833672
Energy: 1.6440811999145915
Energy: 1.621361912029674
Energy: 1.5774418107309627
Energy: 1.4895657237741264
Energy: 1.8918771373281982
Energy: 1.6806532261390936
Energy: 1.7722027418451618
Energy: 1.8144407598001704
Energy: 1.4820366843819082
Energy: 1.750591008845244
Energy: 1.6170590475462705
Energy: 1.436060214828093
Energy: 1.782857584953119
Energy: 1.6075546401329057
Energy: 1.6532073706828285
Energy: 1.5882928684269533
Energy: 1.4873368443323347
Energy: 1.6110951638564897
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Energy: 1.5171322960378253
Energy: 1.59151949393988
Energy: 1.6732496115866893
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Energy: 1.669625507858944
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Energy: 1.5847485400270132
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Energy: 1.7174642750303462
Energy: 2.040934152702534
Energy: 1.7772146095722738
Energy: 1.7694427418342864
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Energy: 1.7772813994825942
Energy: 1.7009566365178233
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Energy: 1.4846086543890098
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Energy: 1.6839742228288304
Energy: 1.8224364844594882
Energy: 1.6501423990344646
Energy: 1.8195568294342142
Energy: 1.6341121310418234
Energy: 1.641291477152806
Energy: 1.8009966068748913
Energy: 1.8043631448333883
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Energy: 1.6452201422760826
Energy: 1.5637931251644333
Energy: 1.4871626882965427
Energy: 1.5003414771163954
Energy: 1.434660254503899
Energy: 1.4382123282398098
Energy: 1.446387652052942
Energy: 1.4981069441614183
Energy: 1.7675243387127875
Energy: 1.6184214644180808
Energy: 1.5553963998212963
Energy: 1.549031145420131
Energy: 1.4651216108601561
Energy: 1.4500037367178593
Energy: 1.4595603448954075
Energy: 1.413048446039113
Energy: 1.4290352009701812
Energy: 1.5405412826943972
Energy: 1.541740359432325
Energy: 1.6192067241448793
Energy: 1.503158507296249
Energy: 1.5508754078439058
Energy: 1.4850454920213931
Energy: 1.4149477629756915
Energy: 1.4859318327025015
Energy: 1.4610358091845166
Energy: 1.480076669903735
Energy: 1.4360222012723394
Energy: 1.5037283991410637
Energy: 1.575811669309568
Energy: 1.7603010719336163
Energy: 1.8373807123894503
Energy: 1.6700088497044505
Energy: 1.649351006095008
Energy: 1.4294918763934554
Energy: 1.5812642317968284
Energy: 1.4826690225471573
Energy: 1.5992733809884232
Energy: 1.536704338664406
Energy: 1.50037475075716
Energy: 1.434407608138371
Energy: 1.6860751750213805
Energy: 1.5756851044517066
Energy: 1.6384674497337524
Energy: 1.8038930833634943

minimum gb energy = 1.4127928633916336 eV
minimum distance =  2.28554753035621 Angstroms
sigma value = 41


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

Energy: 2.9958554167236455
Energy: 1.9268740012411674
Energy: 1.5544225377107743
Energy: 1.4889226130732645
Energy: 1.6100895455947064
Energy: 1.9833104976667466
Energy: 1.8214230129692228
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Energy: 1.425846999952686
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Energy: 1.6471517383631384
Energy: 1.6037550028373104
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Energy: 1.4893003060527534
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Energy: 1.3523757549528903
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Energy: 1.5168915857916763
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Energy: 1.8120481561684691
Energy: 1.6114332512310734
Energy: 1.5779614075074861
Energy: 1.3669699433196947
Energy: 1.364368761774592
Energy: 1.7311382711736016
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Energy: 1.7025829521389286
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Energy: 1.5881348820777448
Energy: 1.539904774495997
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Energy: 1.3995609460054543
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Energy: 1.4716161376018084
Energy: 1.4876984349215536
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Energy: 1.6094642365985439
Energy: 1.5959560403644817
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Energy: 1.4688969663767852
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Energy: 1.3147232364742145
Energy: 1.5406437437872784
Energy: 1.5030808565023113
Energy: 1.5974870828900183
Energy: 1.7325675971131553
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Energy: 1.7072074407311846
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Energy: 1.5755103974095694
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Energy: 1.5628182093768515
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Energy: 1.4488480174018596
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Energy: 1.4843541262171573
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Energy: 1.6806302770679213
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Energy: 1.5754070221920935
Energy: 1.4580085042950917
Energy: 1.4227535330968235
Energy: 1.407989996898437
Energy: 1.2726521074936346
Energy: 1.603043363246066
Energy: 1.5223901722922697
Energy: 1.599277629784883
Energy: 1.5758498570348247
Energy: 2.0524677000667046
Energy: 1.7772474724474046
Energy: 1.4589972691552007
Energy: 1.412458162796804
Energy: 1.3429482644414557
Energy: 1.9446832572724921
Energy: 1.5961559179621316
Energy: 1.5671455501136613
Energy: 1.7232408424615533
Energy: 1.8454568419573563
Energy: 1.7359964476119094
Energy: 1.7546470113739987
Energy: 2.03622466151518
Energy: 1.4113047455427696
Energy: 1.331275334712723
Energy: 1.4293444412153211
Energy: 1.8799596262778158
Energy: 1.3565448354468492
Energy: 1.8528158410681055
Energy: 1.8321433200722212
Energy: 1.682194311178433
Energy: 1.6121285370790568
Energy: 1.323386149332027
Energy: 1.389757032425122
Energy: 1.4051090005578353
Energy: 1.675949232594151
Energy: 1.4620401138130736
Energy: 1.5380774866605387
Energy: 1.8435113917648593
Energy: 1.8414685587914157
Energy: 1.63569154676381
Energy: 1.2828328662581707
Energy: 1.4197466872807998
Energy: 1.4712227887299587
Energy: 1.6739364290936516
Energy: 1.3214234489109864
Energy: 1.3856352955226914
Energy: 1.384567919565449
Energy: 1.5427060618942792
Energy: 1.5340401622774247
Energy: 1.7132032619722413
Energy: 1.7212233435876774
Energy: 1.576999728521133
Energy: 1.517282354270172
Energy: 1.3684232353667676
Energy: 1.3849278424565554
Energy: 1.3805399905229048
Energy: 1.336076667380654
Energy: 1.4625684452880963
Energy: 1.57188066487892
Energy: 1.6568550485499054
Energy: 1.6083276623542793
Energy: 1.5646375692547962
Energy: 1.5914368532878649
Energy: 1.427330108527811
Energy: 1.3864754834311483
Energy: 1.3808921294301673
Energy: 1.3227362080860081
Energy: 1.4703949101494647
Energy: 1.569717475898389
Energy: 1.6314090987904912
Energy: 1.546724610171719
Energy: 1.5992847579530587
Energy: 1.5586929615585057
Energy: 1.41171277248714
Energy: 1.3250531137409307
Energy: 1.437761733511884
Energy: 1.5500219039616738
Energy: 1.5343149923414867
Energy: 1.5977692703158513
Energy: 1.59807514244803
Energy: 1.5974724729360035
Energy: 1.691943428578238
Energy: 1.6874800700176178
Energy: 1.4556919876764827

minimum gb energy = 1.2726521074936346 eV
minimum distance =  2.18871319315448 Angstroms
sigma value = 185


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

Energy: 2.4227102813496866
Energy: 1.7392638185065321
Energy: 1.7796033976745762
Energy: 1.476712960890157
Energy: 1.479128176957555
Energy: 1.5866339625754025
Energy: 1.7200163918888314
Energy: 1.7391574784295565
Energy: 1.716036502447572
Energy: 1.887762661887312
Energy: 1.6389738266268707
Energy: 1.7656297062991233
Energy: 1.790113332896592
Energy: 1.881245446035696
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Energy: 1.6752288675208191
Energy: 1.479901119599392
Energy: 1.4250058994983994
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Energy: 1.4954138929352643
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Energy: 1.4346063172516883
Energy: 1.4835819253131752
Energy: 1.301840462675917
Energy: 1.2262656395725675
Energy: 1.4412061572637243
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Energy: 1.1890741817474493
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Energy: 1.593308824145551
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Energy: 1.6724318995986465
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Energy: 1.7364419975446177
Energy: 1.6998037274689999
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Energy: 1.4950850078785403
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Energy: 1.7686377322998876
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Energy: 1.4618344447189677
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Energy: 1.2281235471086946
Energy: 1.3024949158404657
Energy: 1.4819143037904543
Energy: 1.4564350815256604
Energy: 1.536033535278774
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Energy: 1.5852597773253645
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Energy: 1.3062349854438855
Energy: 1.2267898882542696
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Energy: 1.5451249087427075
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Energy: 1.4151550694151103
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Energy: 1.7039768042679735
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Energy: 1.8478253864270475
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Energy: 1.4759372984537076
Energy: 1.4788820892652477
Energy: 1.4771168649943476
Energy: 1.70882791480419
Energy: 1.6831136551854857
Energy: 1.7380856339785562
Energy: 1.707294843921417
Energy: 1.7860357092836898
Energy: 1.8137120689284638
Energy: 1.6952234626236982
Energy: 1.7264233234139204
Energy: 1.9053262270348115
Energy: 1.508063146536501
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Energy: 1.5867422329937688
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Energy: 1.4764102102638363
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Energy: 1.7340227599926037
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Energy: 1.4764059238100096
Energy: 1.4854702151854378
Energy: 1.4563164948483591
Energy: 1.4754114968160625
Energy: 1.7172342641836864
Energy: 1.8223413543171498
Energy: 1.5869590006815326
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Energy: 1.372812921931154
Energy: 1.307840501017956
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Energy: 1.4339185082467638
Energy: 1.5378613335331732
Energy: 1.4155514720020392
Energy: 1.788803684170678
Energy: 1.8100123916524118
Energy: 1.4795911565853066
Energy: 1.4775446239385985
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Energy: 1.5051051631541636
Energy: 1.4755135682818323
Energy: 1.5435736553570498
Energy: 1.5359877841475338
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Energy: 2.426323748123136
Energy: 1.7166358696244841
Energy: 1.6786322924731993
Energy: 1.4757371173595857
Energy: 1.4790070551861612
Energy: 1.7882221690503666
Energy: 1.715094732833271
Energy: 1.8215428140904955
Energy: 1.8114152387189677
Energy: 1.4778939718232846
Energy: 1.7823719507259124
Energy: 1.8664381880735033
Energy: 1.8747183966418741
Energy: 1.8833233999942138
Energy: 1.6942929687515145
Energy: 1.4238816581199158
Energy: 1.961886405934867
Energy: 1.5366321710199515
Energy: 1.5819669848856104
Energy: 1.483912264462332
Energy: 1.4432955548619006
Energy: 1.6574974074040862
Energy: 1.4779300290410724
Energy: 1.7943099552873016
Energy: 1.7763079706606917
Energy: 1.753131016330995
Energy: 1.7547972177082598
Energy: 1.8284366188171826
Energy: 1.4343587418566466
Energy: 1.4483991390202315
Energy: 1.3042153793005298
Energy: 1.2273491599571285
Energy: 1.4786305273457498
Energy: 1.532551859526421
Energy: 1.5865928017983937
Energy: 1.4147638669568467
Energy: 1.7419000009520977
Energy: 1.8097882957748554
Energy: 1.5779088928259
Energy: 1.526252739689674
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Energy: 1.4654498009579922
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Energy: 1.7799678544632713
Energy: 1.691649901605341
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Energy: 1.7862357146130599
Energy: 1.7272231497949233
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Energy: 1.4947518544238123
Energy: 1.488840665055693
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Energy: 1.7136543477702502
Energy: 1.8627044635105168
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Energy: 1.763505788070821
Energy: 1.7732350835444914
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Energy: 1.514722786385975
Energy: 1.738062120537174
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Energy: 1.5363661222432505
Energy: 1.5782406235700293
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Energy: 1.7735450276748665
Energy: 1.7312354451151768
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Energy: 1.5082946476561194
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Energy: 1.4820511736427513
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Energy: 1.4754915234187598
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Energy: 1.4841224185062245
Energy: 1.306530376390904
Energy: 1.3533572569910708
Energy: 1.302611503923327
Energy: 1.5053977230988163
Energy: 1.488699452278293
Energy: 1.5411182938269676
Energy: 1.7213848592291927
Energy: 1.7210463926245743
Energy: 1.7252186674195933
Energy: 1.4956678227619593
Energy: 1.4772503394801724
Energy: 1.448967686887114
Energy: 1.5689821942045246
Energy: 1.5453890859910546
Energy: 1.6115791416008804
Energy: 1.413876240576176
Energy: 1.6555291835170511
Energy: 1.6990669715217734
Energy: 1.8916640409120025
Energy: 1.8928662647426968
Energy: 1.86559878021179
Energy: 1.7734855371165554
Energy: 1.5701855831173712
Energy: 1.476534648901157
Energy: 1.5173245466871361
Energy: 1.7608809984724405
Energy: 1.7175372044357715
Energy: 1.6753422058387462
Energy: 1.4798720851146894
Energy: 1.7819828047811583
Energy: 1.8634319993206883
Energy: 1.743693223488213
Energy: 1.9052084624851193
Energy: 1.7902152465956018
Energy: 1.7372637351093374
Energy: 1.751588906975208
Energy: 1.717159834000621
Energy: 1.4434286831820256
Energy: 1.4837259883428562
Energy: 1.4736752975779184
Energy: 1.4501452686543543
Energy: 1.5601672451368591
Energy: 1.4771618036314045
Energy: 1.7761108151300813
Energy: 1.582170187769134
Energy: 1.898826046006147
Energy: 1.5836425740350382
Energy: 1.4333048243652036
Energy: 1.372364496857854
Energy: 1.3067491364109924
Energy: 1.4384261282274262
Energy: 1.5057154348373134
Energy: 1.478552090660336
Energy: 1.7026855655385227
Energy: 1.7169685088731053
Energy: 1.6889531177930537
Energy: 1.5817832565692276
Energy: 1.43504726794078
Energy: 1.444350833912918
Energy: 1.2289556620388813
Energy: 1.4415056945996267
Energy: 1.4805358513553282
Energy: 1.185677367508646
Energy: 1.4638346281143098
Energy: 1.3361595583723098
Energy: 1.7420009934067258
Energy: 1.6745957225737715
Energy: 1.8166322842290252
Energy: 1.7281826840023944
Energy: 1.6781250825829364
Energy: 1.4757598975145534
Energy: 1.4951561502289943
Energy: 1.4752075023512854
Energy: 1.1820051565509218
Energy: 1.4167845450912828
Energy: 1.6556490418541794
Energy: 1.9673480281475137

minimum gb energy = 1.1820051565509218 eV
minimum distance =  2.26752244942732 Angstroms
sigma value = 33


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

Energy: 2.429043164671146
Energy: 1.8613396743228119
Energy: 1.650135516850975
Energy: 1.4909544126320742
Energy: 1.6075221061068163
Energy: 1.727180365681234
Energy: 1.7655798818679391
Energy: 1.726873161266782
Energy: 1.6400050724566235
Energy: 1.677861124067777
Energy: 1.3450639988108328
Energy: 1.6999333903141536
Energy: 1.753980712105706
Energy: 2.1207304654740136
Energy: 1.5869456823178139
Energy: 1.6590883511239358
Energy: 1.7027822325462667
Energy: 1.7489238049532985
Energy: 1.4005075108519565
Energy: 1.4045334902951068
Energy: 1.409021673657269
Energy: 1.5426490696759898
Energy: 1.8504570408142589
Energy: 1.551498859920927
Energy: 1.6789737774050806
Energy: 1.6740557392470314
Energy: 1.6708247370209222
Energy: 1.6262532242372292
Energy: 1.353874408987109
Energy: 1.41198501317537
Energy: 1.323856703796362
Energy: 1.3266371959423646
Energy: 1.6607811833672848
Energy: 1.6767330488857644
Energy: 1.478803689787588
Energy: 1.732939044742734
Energy: 1.7637434802531322
Energy: 1.7290599604376231
Energy: 1.3622209046006986
Energy: 1.4218219934643561
Energy: 1.3427899630943945
Energy: 1.4778097298452473
Energy: 1.6743504477556488
Energy: 1.5485512947462683
Energy: 1.6957132208627914
Energy: 1.6748393090317928
Energy: 1.927895445116408
Energy: 1.893264746317056
Energy: 1.4019275024401272
Energy: 1.449333932926126
Energy: 1.6011653934678138
Energy: 1.7171351862660706
Energy: 1.701648538903405
Energy: 1.7508796148905437
Energy: 1.69152093869877
Energy: 1.7016936059941075
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Energy: 1.7295922396063865
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Energy: 1.7052508777565198
Energy: 1.6911416629374647
Energy: 1.7622501275033353
Energy: 1.6344638714874862
Energy: 1.5561476748489171
Energy: 1.6246393548324347
Energy: 1.799767348791252
Energy: 1.713066126438876
Energy: 1.515714551464295
Energy: 1.8881526012976657
Energy: 1.7783034113985137
Energy: 1.980750687829873
Energy: 1.9151057112923624
Energy: 1.5441879521904391
Energy: 1.5412639484411497
Energy: 1.373744285863348
Energy: 1.4461276603146875
Energy: 1.4634822719676845
Energy: 1.4713159819704946
Energy: 1.8865298222553235
Energy: 1.7667573900234652
Energy: 1.8677315441330915
Energy: 1.921495047673296
Energy: 1.4389291931757908
Energy: 1.4971702545759995
Energy: 1.4342756860679846
Energy: 1.3755498926335739
Energy: 1.4571750404736117
Energy: 1.5142113185927564
Energy: 1.4228995252517727
Energy: 1.8549013635875125
Energy: 1.5292155135905483
Energy: 1.6832989981157684
Energy: 1.8666467778325924
Energy: 1.4225992830187966
Energy: 1.7631177257061181
Energy: 1.4887553157296145
Energy: 1.5101659342390872
Energy: 1.5224588928761675
Energy: 1.5244019941112157
Energy: 1.7574654925546545
Energy: 1.8223023265838427
Energy: 1.8354303045508165
Energy: 2.0680493176240025
Energy: 1.8090308255707703
Energy: 1.6343511000892634
Energy: 1.7966300313711636
Energy: 1.6427844675268495
Energy: 1.8217900791149189
Energy: 1.7711098356709065
Energy: 1.732792140313324
Energy: 1.5269485115534305
Energy: 1.4034249508352399
Energy: 1.4313803570931165
Energy: 1.8449197894395126
Energy: 1.7034387161803322
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Energy: 1.796202264276632
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Energy: 1.8135219272761376
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Energy: 1.4834299466790144
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Energy: 1.7853175289032552
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Energy: 1.3357695456364231
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Energy: 1.4830280597480732
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Energy: 1.5110575149088106
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Energy: 1.5423225589530372
Energy: 1.7839826645483763
Energy: 1.7446913278872564
Energy: 1.6365704257446407
Energy: 1.7889369645344075

minimum gb energy = 1.3021843698525508 eV
minimum distance =  2.25159102672319 Angstroms
sigma value = 219


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

Energy: 2.376351278641037
Energy: 1.4185032937163413
Energy: 1.38374996408889
Energy: 1.4023585554279334
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Energy: 1.3906186598270844
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Energy: 1.6445821660063358
Energy: 1.390977422803725
Energy: 1.4460667568965835
Energy: 1.371380275227043
Energy: 1.3997281672409851
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Energy: 1.3045355306621595
Energy: 1.4821514711121089
Energy: 1.461809806695497
Energy: 1.3707454684374711
Energy: 1.4266017133301725
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Energy: 1.405573612506343
Energy: 1.33292362518932
Energy: 1.3156071640922604
Energy: 1.315414543074006
Energy: 1.4242822613215926
Energy: 1.3876991745897445

minimum gb energy = 1.3010830371186062 eV
minimum distance =  2.32809257414563 Angstroms
sigma value = 15


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

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Energy: 1.69332761164806
Energy: 1.7961878719104103
Energy: 1.6355227659073834
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Energy: 1.6260680655153428
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Energy: 1.7046808004500513
Energy: 1.6551110838415122
Energy: 1.656577413004118
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Energy: 1.6029310043159097
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Energy: 1.5527409222241728
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Energy: 1.7669007006314295
Energy: 1.8540110178073455
Energy: 1.835852861364394
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minimum gb energy = 1.4545883480752164 eV
minimum distance =  2.25534858206523 Angstroms
sigma value = 293


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

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Energy: 1.77637894156034
Energy: 1.9433237917225472
Energy: 1.7784385090296084
Energy: 1.8779610121979409
Energy: 1.6996163088658172
Energy: 1.767230101461167
Energy: 1.8927732512917832
Energy: 1.517653111101635
Energy: 1.5072306780972187
Energy: 1.4725171407248407
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Energy: 1.878011516001461
Energy: 1.7063702445016438
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Energy: 1.4665729598517527
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Energy: 1.6446364022511555
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Energy: 1.6013856850241521
Energy: 2.0446340166529304
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Energy: 1.6044710911251243
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Energy: 1.4732965744866902
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Energy: 1.5007207225398
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Energy: 1.4174902690377231
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Energy: 1.9337594349783682
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Energy: 1.598513916694758
Energy: 1.5816918828388726
Energy: 1.5663500551848155
Energy: 1.5953553104969649
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Energy: 1.6106320676240244
Energy: 1.7269566458106718
Energy: 1.8228611601911022
Energy: 1.6255546913934942
Energy: 1.8960122332791098
Energy: 1.5886832835884248
Energy: 1.6173934614674155
Energy: 1.586854955736064
Energy: 1.5602060523409427
Energy: 1.5968802857506221
Energy: 1.598128387033318
Energy: 1.74659931321007
Energy: 1.4870509211956244
Energy: 1.5852978116879348
Energy: 1.8339970712503364
Energy: 1.6017637686133024
Energy: 1.6335280714672262
Energy: 1.6008096996585954
Energy: 1.5683279208013907
Energy: 1.5735173839334615
Energy: 1.6511716606480316
Energy: 1.6651783603338302
Energy: 1.8605248694746699
Energy: 1.996611965794381
Energy: 1.8222668071893244
Energy: 1.6102509925093365
Energy: 1.5975157030188163
Energy: 1.7825332413446218
Energy: 1.6741670470955898
Energy: 1.6799845382791956
Energy: 1.8569217402525693
Energy: 1.604047126438967
Energy: 1.465592096204922
Energy: 1.8708117403299311
Energy: 1.8550741543348956
Energy: 1.936809618108684
Energy: 1.794377968137514
Energy: 1.7737654061676658
Energy: 1.7333825935180527
Energy: 1.7531134716749674
Energy: 1.4798012590963907
Energy: 1.552632163925751
Energy: 1.4872450069909797
Energy: 1.602769739346384
Energy: 1.626617738301193
Energy: 1.6134673232424999
Energy: 1.8124591446033693
Energy: 1.7080637173521132
Energy: 1.674966949022757
Energy: 1.595842958772212
Energy: 1.4362967531816186
Energy: 1.5217091983808948
Energy: 1.4644045604503662
Energy: 1.7394835562830384
Energy: 1.7088654518913458
Energy: 1.6021527345135878
Energy: 1.7220043236436553
Energy: 1.5105501724324757
Energy: 1.7157802444493904
Energy: 1.6433785190416024
Energy: 1.4739023040444967
Energy: 1.493968942504698
Energy: 1.5910075742289695
Energy: 1.876323408089013
Energy: 1.708852692968284
Energy: 1.9011517222859007
Energy: 1.8807348611631252

minimum gb energy = 1.4174902690377231 eV
minimum distance =  2.25039630393364 Angstroms
sigma value = 293


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

Energy: 1.7522294884447671
Energy: 1.3852259450080466
Energy: 1.3870306194592616
Energy: 1.8547205253339456
Energy: 1.370572408797621
Energy: 1.5265550343183911
Energy: 1.3597491823994847
Energy: 1.4537544450897724
Energy: 1.3902253682823005
Energy: 1.531765517543393
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Energy: 1.7195858283316992
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Energy: 1.4674755454105537
Energy: 1.3591289125012274
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Energy: 1.456295976217304
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Energy: 1.3686528209714615
Energy: 1.4920441606932908
Energy: 1.5108048768528248
Energy: 1.382434025447713
Energy: 1.3870731464970354
Energy: 1.659480676558008
Energy: 1.3849349975487169
Energy: 1.4619119839789194
Energy: 1.4722686094503725
Energy: 1.453542616194738
Energy: 1.3833769553323547
Energy: 1.365349542996756
Energy: 1.4711517069033266
Energy: 1.6107516841941394
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Energy: 1.4608915348966618
Energy: 1.4959403149434554
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Energy: 1.3833835994432429
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Energy: 1.617014935717825
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Energy: 1.4604145142710911
Energy: 1.3819383837238848
Energy: 1.201045720751138
Energy: 1.454065865787345
Energy: 1.3689159115468312
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Energy: 1.5420181554393713
Energy: 1.3680475930331064
Energy: 1.8771873197607647
Energy: 1.4207712059847366
Energy: 1.3915803467562715
Energy: 1.4545791520633868
Energy: 1.4968469869645145
Energy: 1.361277720794468
Energy: 1.387316762135933
Energy: 1.38235073489866
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Energy: 1.4629945760263354
Energy: 1.5544877365181813
Energy: 1.4781789830173002
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Energy: 1.5086913004034697
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Energy: 1.7437558103662223
Energy: 1.3871845656511437
Energy: 1.4608851042946753
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Energy: 1.3604417755510532
Energy: 1.4542024183155626
Energy: 1.459641680254672
Energy: 1.5315704234485776
Energy: 1.7598980144176433
Energy: 1.3847373329345025
Energy: 1.389905028938619
Energy: 1.8791391895524667
Energy: 1.3838702666551477
Energy: 1.4565317798352793
Energy: 1.4600139996774324
Energy: 1.4619935475524775
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Energy: 1.3917098935136976
Energy: 1.525103029650989
Energy: 1.4170067201377086
Energy: 1.4678746500809383
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Energy: 1.453164405516285
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Energy: 1.6646360316493363
Energy: 1.387436869297767
Energy: 1.4584994519320331
Energy: 1.4761644430153111
Energy: 1.2202053524296712
Energy: 1.3978588454817018
Energy: 1.3682928594335382
Energy: 1.6647869377814764
Energy: 1.5321219885722006
Energy: 1.4883075048280578
Energy: 1.6789837389759956
Energy: 1.462998667278923
Energy: 1.4209872198279887
Energy: 1.4799076242457232
Energy: 1.4962445516972327
Energy: 1.363711842278735
Energy: 1.5931522056991594
Energy: 1.5323553456380619
Energy: 1.1995361100069912
Energy: 1.369117704965063
Energy: 1.3025589560145883
Energy: 1.7145469789907593
Energy: 1.3847461217613073
Energy: 1.4604386340486897
Energy: 1.4037376618326007
Energy: 1.460259022055303
Energy: 1.458903538473956
Energy: 1.371988369041681
Energy: 1.4889850896747323
Energy: 1.5089965101576588
Energy: 1.3850519143781879
Energy: 1.613228755548665
Energy: 1.7445304351804747
Energy: 1.381829639245724
Energy: 1.5372799875224719
Energy: 1.4919501872789738
Energy: 1.48739564931442
Energy: 1.3803419669600658
Energy: 1.383294863634874
Energy: 1.7213217757015753
Energy: 1.3835355566446073
Energy: 1.3868719796246312
Energy: 1.8796225962711028
Energy: 1.3857110898787646
Energy: 1.5271920267576198
Energy: 1.3864841351221375
Energy: 1.4534007225602066
Energy: 1.4528661746429572
Energy: 1.370215125014092
Energy: 1.7619043793391669
Energy: 1.5322359781397878
Energy: 1.3684964845555863
Energy: 1.3863672279494075
Energy: 1.4630733654857957
Energy: 1.3906137566227443
Energy: 1.5450348219448478
Energy: 1.459244286125142
Energy: 1.4604494933323322
Energy: 1.5928428784091737
Energy: 1.6493664994479766
Energy: 1.5553415865563405
Energy: 1.50944574925959
Energy: 1.37073426510894
Energy: 1.8571445601526024
Energy: 1.3951239570890803
Energy: 1.4610637581551962
Energy: 1.4984255430338962
Energy: 1.3613753471468109
Energy: 1.4520618482940308
Energy: 1.3819232773290993
Energy: 1.513450348895223
Energy: 1.2004841629908818
Energy: 1.4043929908136774
Energy: 1.7444484304950598
Energy: 1.6642027316243388
Energy: 1.3830073448795837
Energy: 1.5459144317440796
Energy: 1.5076474905234865
Energy: 1.3967576441594904
Energy: 1.3826663131786132
Energy: 1.5081991191323905

minimum gb energy = 1.1995361100069912 eV
minimum distance =  2.32580252217703 Angstroms
sigma value = 15


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

Energy: 2.461108580497646
Energy: 1.4752213168241914
Energy: 1.4755851007238139
Energy: 1.7286138769582964
Energy: 1.7538130392813454
Energy: 1.8906700620742969
Energy: 1.6926596961832194
Energy: 1.665506095444713
Energy: 1.5256302636588142
Energy: 1.799836030635856
Energy: 1.7828594143771
Energy: 1.7416684928597144
Energy: 1.760719936011611
Energy: 1.8119405668412822
Energy: 1.4762806573130554
Energy: 1.4807577458362082
Energy: 1.4135617629032398
Energy: 1.435512891573256
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Energy: 1.7612012753771362
Energy: 1.6099361371199563
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Energy: 1.7418896001905662
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Energy: 1.4898184298659907
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Energy: 1.6570656630692244
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Energy: 1.4663996812484217
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Energy: 1.4444188095867925
Energy: 1.431021034670229
Energy: 1.7003488325060276
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Energy: 1.903785032045803
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Energy: 1.539444018571555
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Energy: 1.496394391057304
Energy: 1.677182558025063
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Energy: 1.73003131954396
Energy: 1.4310810373525
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Energy: 1.8541248922277
Energy: 1.7921200501426675
Energy: 1.7636641595112263
Energy: 1.7116908389743826
Energy: 1.7264516940252237
Energy: 1.51364851249874
Energy: 1.4294646277010177
Energy: 1.4600679254805997
Energy: 1.4414623238072701
Energy: 1.5489732947917088
Energy: 1.5960576543353666
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Energy: 1.4620219250094741
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Energy: 1.7960141332390078
Energy: 1.5941962226663076
Energy: 1.556655247462639
Energy: 1.611684556121371
Energy: 1.615737946183253
Energy: 1.65294601469415
Energy: 1.5802838833968837
Energy: 1.6022622164300793
Energy: 1.6689158419491716
Energy: 1.8055766679921976
Energy: 1.4568784960293781
Energy: 1.710125411887633
Energy: 1.5397763464130445
Energy: 1.7421626964398838
Energy: 1.5823110826110836
Energy: 1.6984809843428752
Energy: 1.4660145724975053
Energy: 1.6739551220214255
Energy: 1.8507273803385582
Energy: 1.5281231235508383
Energy: 1.6245713692760455
Energy: 1.5393967142136495
Energy: 1.7418143185670882
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Energy: 1.664123543514345
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Energy: 1.5089484839853013
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Energy: 1.6560927580412996
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Energy: 1.6932341923454457
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Energy: 1.5506570335485275
Energy: 1.4122728229687118
Energy: 1.473332873322774
Energy: 1.501057789055981
Energy: 1.8037322473029318
Energy: 1.8706205760074142
Energy: 1.7346188082923468
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Energy: 1.4753186239398546
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Energy: 1.4480342447140317
Energy: 1.6992205340145
Energy: 1.859481113108781
Energy: 1.612612855752327
Energy: 1.913707313190665
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Energy: 1.67763159105776
Energy: 1.5389258995735007
Energy: 1.4601562031466138
Energy: 1.4393103131624851
Energy: 1.4519342372881545
Energy: 1.8263161348758783
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Energy: 1.765699724708984
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Energy: 1.6732263179835174
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Energy: 1.8891838286143579
Energy: 1.4874914325922675
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Energy: 1.8857393546175478
Energy: 1.4514667075431877
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Energy: 1.6743447284776558
Energy: 1.675257660314679
Energy: 1.5859770365022872
Energy: 1.548053588288307
Energy: 1.4820392050283264
Energy: 1.6049545351675878
Energy: 1.8496888262231241
Energy: 1.7114545312174185
Energy: 1.804865312918929
Energy: 1.6814608229840056
Energy: 1.6515019380322489
Energy: 1.6586601822796647
Energy: 1.582829128631375
Energy: 1.5187368861708257
Energy: 1.5266774516582653
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Energy: 1.5809677661264183
Energy: 1.7651106308169577
Energy: 1.7443505538218913
Energy: 1.7221127584941427
Energy: 1.6534536456974862
Energy: 1.7270429836025496
Energy: 1.5637522078359232
Energy: 1.6708826454727275
Energy: 1.6931483846484712
Energy: 1.8277690428748763
Energy: 1.6946680024891925
Energy: 1.5457063963644353
Energy: 1.5355344702071299
Energy: 1.7195903163439306
Energy: 1.8104530132553724
Energy: 1.5542609552300153
Energy: 1.5188822546530012
Energy: 1.527756730575462
Energy: 1.5252952403929723
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Energy: 1.5981297698671788
Energy: 1.496817188104322
Energy: 1.6454777974634254
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Energy: 1.5016349370284263
Energy: 1.489835759046931
Energy: 1.5353177612942028
Energy: 1.5759836894805865
Energy: 1.6803295574720705
Energy: 1.650186193388933
Energy: 1.6809138898596807
Energy: 1.803222756510783
Energy: 1.7322489139653727
Energy: 1.7812391700326349
Energy: 1.598640159796494
Energy: 1.561598316017909
Energy: 1.6317182717395016
Energy: 1.791553218112257
Energy: 1.685391589848844
Energy: 1.696847530189234
Energy: 1.6904113927998206
Energy: 1.4551381232183382
Energy: 1.8954092562111917
Energy: 1.7150784949832365
Energy: 1.6668398614574194
Energy: 1.987847729351658
Energy: 1.7355028701131863
Energy: 1.7540271406842105
Energy: 1.5694766123417532
Energy: 1.4319362410628118
Energy: 1.5950792582867812
Energy: 1.830131082910733
Energy: 1.5269120360392512
Energy: 1.654168501084648
Energy: 1.6388692751031426
Energy: 1.7482462776453667
Energy: 1.4466525574380216
Energy: 1.4954975693307992
Energy: 1.460133559277034
Energy: 1.5043542415329076
Energy: 1.6838815927599815
Energy: 1.7290635163634311
Energy: 1.9326761299152755
Energy: 1.6549170795325256
Energy: 1.862750819969668
Energy: 1.4809664584828643
Energy: 1.4274397117287063
Energy: 1.4150070364013025
Energy: 1.5047364909711791
Energy: 1.4832877617068685
Energy: 1.717614197988663
Energy: 1.7539703194753042
Energy: 1.7944816826990648
Energy: 1.9418038789074246
Energy: 1.678126109517527
Energy: 1.504039931434039
Energy: 1.6517376072370136
Energy: 1.542602641732316
Energy: 1.8950375842026315
Energy: 1.772106358320551
Energy: 1.7383498497421626
Energy: 1.5370815139557719
Energy: 1.524068364071389
Energy: 1.7395656523439764
Energy: 1.864117418153685
Energy: 1.769062941370027
Energy: 1.6968281875618203
Energy: 1.7371578220229198
Energy: 1.509494228612651
Energy: 1.493044985035676
Energy: 1.435640796889524
Energy: 1.5334969740959792
Energy: 1.7924399177629529
Energy: 1.8050293536393616
Energy: 1.9419750420325383
Energy: 1.6664176744193735
Energy: 1.7326140656749491
Energy: 1.6770965628234304
Energy: 1.538436225255635
Energy: 1.5132575012394238
Energy: 1.4556576426804004
Energy: 1.5482607026214668
Energy: 1.5483908292535122
Energy: 1.6488540554655733
Energy: 1.7924645218102826
Energy: 1.7706680691451229
Energy: 1.7095006353007616
Energy: 1.4674967303973256
Energy: 1.4762963088691359
Energy: 1.5205625038728037
Energy: 1.7054443709445397
Energy: 1.7593298954099212
Energy: 1.7521602383746249
Energy: 1.605853397843873
Energy: 1.56726596833137
Energy: 1.923662904351249
Energy: 1.6154366050140927
Energy: 1.6725923569892733
Energy: 1.654226143349325
Energy: 1.5698589798396687
Energy: 1.7706535087584583
Energy: 1.658020678754756
Energy: 1.6397569947535664
Energy: 1.4574016077463428
Energy: 1.7493242276743581
Energy: 1.859692453754935
Energy: 1.582363565718998
Energy: 1.577518995336577
Energy: 1.6116987035188288
Energy: 1.6507286580661353
Energy: 1.637843949371895
Energy: 1.5391709982449062
Energy: 1.7003947718195478
Energy: 1.841886001103421
Energy: 1.6799388949186393
Energy: 1.6046878531855473
Energy: 1.7141057005401867
Energy: 1.5477403065536648
Energy: 1.6559010791241437
Energy: 1.5742359485020503
Energy: 1.6285297643333982
Energy: 1.596863468486778
Energy: 1.5700122317034677
Energy: 1.4866877947236645
Energy: 1.8424743668476788
Energy: 1.483321736115759
Energy: 1.530610282194388
Energy: 1.8593519978812942
Energy: 1.8070780931076358
Energy: 1.6508626818440482
Energy: 1.702799490504797
Energy: 1.6134289934762205
Energy: 1.5217066656007505
Energy: 1.8664967287308731
Energy: 1.5885198656069874
Energy: 1.5870819362169455
Energy: 1.8441465272350983
Energy: 1.4834684505791234
Energy: 1.4543547091974498
Energy: 1.513204830090636
Energy: 1.5142912404176614
Energy: 1.551405305919252
Energy: 1.6584443069185435
Energy: 1.6573222011547446
Energy: 1.7027857921833396
Energy: 1.6480030818945435
Energy: 1.680445000974508
Energy: 1.4846014436851303
Energy: 1.4406142897753185
Energy: 1.4316809100411645
Energy: 1.5346943241210038
Energy: 1.6776483947524634
Energy: 1.708703777328053
Energy: 1.7221909005824378
Energy: 1.7994423677032074
Energy: 1.8160774952360668
Energy: 1.6405787209032097
Energy: 1.666930415991422
Energy: 1.5807856085492074
Energy: 1.443412708312684
Energy: 1.899239054218618
Energy: 1.7014944464450297
Energy: 1.708165228628065
Energy: 1.5304532092361929
Energy: 1.6005124153515664

minimum gb energy = 1.4122728229687118 eV
minimum distance =  2.29557609599732 Angstroms
sigma value = 437


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

Energy: 1.989566912557271
Energy: 1.5353602402061177
Energy: 1.58850477772113
Energy: 1.63452440616226
Energy: 1.7753337749020859
Energy: 1.8244315027980245
Energy: 1.6444379157427662
Energy: 1.7049435325322464
Energy: 1.5982419801365106
Energy: 1.6813731503341864
Energy: 1.9548148597305788
Energy: 1.600111483879922
Energy: 1.6309345198510092
Energy: 1.8077385267312696
Energy: 1.597651109276415
Energy: 1.5565970882524236
Energy: 1.5485825440188214
Energy: 1.5560142616632207
Energy: 1.634469904537131
Energy: 1.855130356931022
Energy: 1.6841444868524937
Energy: 1.6979052428261212
Energy: 1.7180209935886828
Energy: 1.8281745256837927
Energy: 1.6178665100401792
Energy: 1.522589877078985
Energy: 1.557673055103496
Energy: 1.5019087412786825
Energy: 1.576939103706616
Energy: 1.890757896946001
Energy: 1.8179136278696884
Energy: 1.7094558267353186
Energy: 1.9841739535844458
Energy: 1.862086422870828
Energy: 1.5114646204280402
Energy: 1.6224578616035072
Energy: 1.6066282548355786
Energy: 1.865810754882451
Energy: 1.6986532291677194
Energy: 1.7688031487727143
Energy: 1.6959085349596545
Energy: 1.817580842645951
Energy: 1.610419746848996
Energy: 1.6942110436895204
Energy: 1.665161504853608
Energy: 1.7231534319043282
Energy: 1.7572989485021187
Energy: 1.8164011600527334
Energy: 1.535268901677182
Energy: 1.5668491299045453
Energy: 1.4699738210857316
Energy: 1.6849182117710113
Energy: 1.5994201218583324
Energy: 1.6815994372377756
Energy: 1.67805263405081
Energy: 1.6390475240849962
Energy: 1.5271188854602824
Energy: 1.6207895281785603
Energy: 1.440036606047149
Energy: 1.4446708301823215
Energy: 1.7066339893787708
Energy: 1.7680221872023978
Energy: 1.586707589738093
Energy: 1.8711038622710763
Energy: 1.7119337896205826
Energy: 1.7412194404588468
Energy: 1.6797006490000819
Energy: 1.6230820691856829
Energy: 1.4734203793839646
Energy: 1.4715423503247511
Energy: 1.4725355127997743
Energy: 1.470364679104374
Energy: 1.4955973104698344
Energy: 1.6031548070621109
Energy: 1.7162308976093805
Energy: 1.7035473607072333
Energy: 1.6172083887635293
Energy: 1.6350384511654217
Energy: 1.6703008108036155
Energy: 1.8318547673803356
Energy: 1.901919943571677
Energy: 1.4661420241263525
Energy: 1.7099951610167454
Energy: 1.7494315527152475
Energy: 1.5722288482671922
Energy: 1.5301778016867351
Energy: 1.5730273492130722
Energy: 1.6926308502701763
Energy: 1.7220856387846086
Energy: 1.6858444759090825
Energy: 1.7060790621594302
Energy: 1.4351866012107446
Energy: 1.8048764969655724
Energy: 1.8157599817881709
Energy: 1.5467842996386625
Energy: 1.5552748944709633
Energy: 1.50394628385547
Energy: 1.5344658532575892
Energy: 1.6506542734031682
Energy: 1.757450397710054
Energy: 1.7966166864733857
Energy: 1.5847092951274515
Energy: 1.7708626639719764
Energy: 1.791596841768033
Energy: 1.7390547859628478
Energy: 1.6002949946980929
Energy: 1.7635776557165126
Energy: 1.8587461310016598
Energy: 1.8228338169534732
Energy: 1.6475860975284002
Energy: 1.5330288186088226
Energy: 1.8266583171141832
Energy: 1.5879731178824508
Energy: 1.7091946464573158
Energy: 1.6891846349557067
Energy: 1.5988181265064991
Energy: 1.6042800100023198
Energy: 1.60213378785195
Energy: 1.5645240664121474
Energy: 1.6786282835653945
Energy: 1.7300121695753978
Energy: 1.715306474079709
Energy: 1.5654914574390746
Energy: 1.758773616805415
Energy: 1.7229188894943805
Energy: 1.6537366192285827
Energy: 1.6861956527982176
Energy: 1.6211294294743575
Energy: 1.665750084192325
Energy: 1.7599158232531869
Energy: 1.561159128373102
Energy: 1.6544993309997564
Energy: 1.6339048639851625
Energy: 1.592620346888026
Energy: 1.7645403344777493
Energy: 1.763710832744337
Energy: 1.6300344109513696
Energy: 1.696005899526622
Energy: 1.6445147320547633
Energy: 1.5764462331878752

minimum gb energy = 1.4351866012107446 eV
minimum distance =  2.27856602707541 Angstroms
sigma value = 33