Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.430137217044831
cohesive_energy=3.990966885422167
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=[4.88322609746958e-19, 5.26391928747432e-19, 5.537090403571319e-19, 5.72180534770518e-19, 5.790266355276e-19, 5.867619443165519e-19, 5.994720115540739e-19, 6.14000549271186e-19, 6.239116139291099e-19, 6.255666623920319e-19, 6.20768143373202e-19, 6.135647572267379e-19, 6.064927495642619e-19, 6.011126404272899e-19, 5.98680536296878e-19, 5.99640240100644e-19, 6.03600820739892e-19, 6.096794788892879e-19, 6.16818777970392e-19, 6.24001335820614e-19, 6.30373192294032e-19, 6.352950789136799e-19, 6.3835523628462e-19, 6.3937261844721e-19, 6.38308773162234e-19, 6.3505475241858e-19, 6.29676245458242e-19, 6.2225656546618795e-19, 6.12779690676078e-19, 6.010453490086619e-19, 5.86529628704622e-19, 5.682327715443419e-19, 5.44525363891044e-19, 5.137379376921e-19, 4.74245885840634e-19, 4.2342484301015397e-19, 3.5740234827628197e-19, 2.72342790777222e-19, 1.64737403684514e-19, 3.03942520529604e-20, -1.3588188207084718e-19, -3.42780884314398e-19, -6.09424732804482e-19, -9.8598751144677e-19, -1.6314804446358599e-18, -2.9899820343707996e-18, -6.2219087622419395e-18, -1.45313415262215e-17, -3.76708576715982e-17, -1.078780775558148e-16, -3.4449361113614395e-16]
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: 0.019342975411337872
Energy: 0.3488758626574513
Energy: 0.348974661026407
Energy: 0.34942698592087856
Energy: 0.02007691960742149
Energy: 0.019682529767880954
Energy: 0.3483996140598929
Energy: 0.5100236583881884
Energy: 0.3485397792437927
Energy: 0.021249967779598842
Energy: 0.34814114361693305
Energy: 0.3476816442074485
Energy: 0.3478493380625283
Energy: 0.4481625587981352
Energy: 0.3500433708045984
Energy: 0.3483776552294359
Energy: 0.3480681254303469
Energy: 0.3480208768360666
Energy: 0.44748970713827513
Energy: 0.3495719206905478
Energy: 0.34759955918328866
Energy: 0.020621781640322596
Energy: 0.020294941273385797
Energy: 0.3483752584109364
Energy: 0.5161390047750335
Energy: 0.34764276719499976
Energy: 0.020434165721010953
Energy: 0.019867181466077417
Energy: 0.3480561287031959
Energy: 0.5136474456803696
Energy: 0.44782094735054256
Energy: 0.019659389685897352
Energy: 0.431678207288098
Energy: 0.34789669195606915
Energy: 0.3482756166804263
Energy: 0.4501938393091652
Energy: 0.020004638234620814
Energy: 0.4280143776098851
Energy: 0.34778371604010433
Energy: 0.3488624964401065
Energy: 0.4488012627122576
Energy: 0.34882133454580877
Energy: 0.3478783756765977
Energy: 0.019975275811383666
Energy: 0.01952976299808495
Energy: 0.4481964525435181
Energy: 0.3491189881818989
Energy: 0.34785954437052796
Energy: 0.02020645659630841
Energy: 0.3485738881276247
Energy: 0.347684511098798
Energy: 0.45360495386833977
Energy: 0.34900212357162946
Energy: 0.019917754682035094
Energy: 0.020440764457900055
Energy: 0.3474785134416606
Energy: 0.4522654154378676
Energy: 0.3491372858119029
Energy: 0.019893721616342838
Energy: 0.42964674685286286
Energy: 0.02025968419861589
Energy: 0.3503650449519306
Energy: 0.4479920490299382
Energy: 0.34824081783508115
Energy: 0.34789550326472235
Energy: 0.019928418768455237
Energy: 0.3500089273126537
Energy: 0.4482186425011119
Energy: 0.34794473145086724
Energy: 0.3481160503742381

minimum gb energy = 0.019342975411337872 eV
minimum distance =  2.39617297823016 Angstroms
sigma value = 3


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

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Energy: 0.49129488110078984
Energy: 0.5550045677297574
Energy: 0.5434554384935096
Energy: 0.530401320442475
Energy: 0.5180145552074149
Energy: 0.521905692674621
Energy: 0.5557362386850585
Energy: 0.5240373433533962
Energy: 0.515546055522286
Energy: 0.49630808501186296
Energy: 0.501245399056062
Energy: 0.5476488769599703
Energy: 0.5142130403278712
Energy: 0.5077898492397973
Energy: 0.5096456310433102
Energy: 0.5769777304694156
Energy: 0.5334621749142769
Energy: 0.511598068700997
Energy: 0.5939311975280549
Energy: 0.4940224224044654
Energy: 0.4421241910272792
Energy: 0.4677146731531438
Energy: 0.5257839411893911
Energy: 0.5095298317060228
Energy: 0.42146214754090333
Energy: 0.5353366290806036
Energy: 0.5005210992266117
Energy: 0.5516205048520949
Energy: 0.5291065839546917
Energy: 0.5231022133143428
Energy: 0.6144305267900096
Energy: 0.48607343481405263
Energy: 0.46928513672392136
Energy: 0.5095282362809612
Energy: 0.5266234747672845
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Energy: 0.5832870959064922
Energy: 0.5049726841733694
Energy: 0.5480301995340987
Energy: 0.5910187996689562
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Energy: 0.5132394190071526
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Energy: 0.5233799274085362
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Energy: 0.5301363956371505
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Energy: 0.6393068260628619
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Energy: 0.5438028970751354
Energy: 0.5295221892747501
Energy: 0.506617340673953
Energy: 0.5554694564830978
Energy: 0.6228797226584087
Energy: 0.5683624225298629
Energy: 0.5444863073086826
Energy: 0.5494326637435795
Energy: 0.5497248910247113
Energy: 0.6029225469480309
Energy: 0.5317720409878142
Energy: 0.5904980550290211
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Energy: 0.5161781535791382
Energy: 0.5449275366774011
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Energy: 0.5921801868285872
Energy: 0.5883340363681417
Energy: 0.5162943916361584
Energy: 0.5905012723903168
Energy: 0.45000440399333924
Energy: 0.4271436709783656
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Energy: 0.5217734617639113
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Energy: 0.5666393332173494
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Energy: 0.6001841117344737
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Energy: 0.5301469839446085
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Energy: 0.5455664272703338
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Energy: 0.519786119591864
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Energy: 0.5461837928402293
Energy: 0.5476150563532737
Energy: 0.44753200763796985
Energy: 0.5941844774828257
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Energy: 0.45168389662031616
Energy: 0.559604197528771
Energy: 0.5095156809304688
Energy: 0.5836740516554432
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Energy: 0.42346435500381624
Energy: 0.5145386985628764
Energy: 0.572384215007345
Energy: 0.5444110953040926
Energy: 0.4605532820558477
Energy: 0.5402347206766411
Energy: 0.6233460973236239
Energy: 0.46973009608457295
Energy: 0.5200527938793867
Energy: 0.4304215671214027
Energy: 0.5140825971207473
Energy: 0.599669033774014
Energy: 0.48681019174541296
Energy: 0.5855491606833502
Energy: 0.6056186801155292
Energy: 0.5064628464395818
Energy: 0.5770927211380339
Energy: 0.4994727479177488
Energy: 0.5250218284984307
Energy: 0.5538927283238047
Energy: 0.5153543803529216
Energy: 0.5881377003790059
Energy: 0.635269772180912
Energy: 0.47821994319036093
Energy: 0.5633978918848849
Energy: 0.6304059460456688
Energy: 0.5910025816093382
Energy: 0.48571876620288384
Energy: 0.4411786689150851
Energy: 0.5833047036179891
Energy: 0.6086006694873449
Energy: 0.549236531399608
Energy: 0.5110806051146836
Energy: 0.5126835331018869
Energy: 0.5945501542320099
Energy: 0.5224119104082232
Energy: 0.5792077263473244
Energy: 0.5099163289871641
Energy: 0.5207487154577556
Energy: 0.5935102923264365
Energy: 0.5129340590633843
Energy: 0.5563134604641204
Energy: 0.5352023803319228
Energy: 0.49596519939297173
Energy: 0.5886275963416048
Energy: 0.5042311518159215
Energy: 0.5345050475627194
Energy: 0.5904430734113514
Energy: 0.4788678801460875
Energy: 0.6113125484819956
Energy: 0.5150660782756105
Energy: 0.5321533140606487
Energy: 0.5900436447411784

minimum gb energy = 0.40299543370208346 eV
minimum distance =  2.23542626710833 Angstroms
sigma value = 75


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

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Energy: 0.48125184052084335
Energy: 0.528372840914169
Energy: 0.5180966353641757
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Energy: 0.5795263100290203
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Energy: 0.5201953286630497
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Energy: 0.40061076088334113
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Energy: 0.5187375160036218
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minimum gb energy = 0.3176300416251788 eV
minimum distance =  2.19993759996428 Angstroms
sigma value = 105


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

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Energy: 0.5993404778550459
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Energy: 0.5722926635231587
Energy: 0.636791506923953
Energy: 0.5944747492424016
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Energy: 0.5370429192289088
Energy: 0.571540471519552
Energy: 0.6282721951018165
Energy: 0.5972363165582636
Energy: 0.6004271908074054
Energy: 0.5499181385759938
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Energy: 0.6146526790137888
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Energy: 0.5893957235456414
Energy: 0.5513573806235315
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Energy: 0.5726398686155443
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Energy: 0.49088694400070554
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Energy: 0.4918934303408413
Energy: 0.617695845329432
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Energy: 0.6022439417261535
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Energy: 0.6273444692598154
Energy: 0.6476083326703493
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Energy: 0.6043614580409341
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Energy: 0.6097817205649904
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Energy: 0.602456739272795
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Energy: 0.5300902903790702
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Energy: 0.5558114413242621
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Energy: 0.5724392764155053
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Energy: 0.5784294835907111
Energy: 0.6067827860219615
Energy: 0.5811155009898823
Energy: 0.6133624761246113
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Energy: 0.5766525248819153
Energy: 0.5490659946117334
Energy: 0.6144290532853539
Energy: 0.5646025159780127
Energy: 0.5715329723165021
Energy: 0.5755805949384033
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Energy: 0.5630296658361282
Energy: 0.5616941308583195
Energy: 0.585733285870841
Energy: 0.611998160791998
Energy: 0.5527672977656066
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Energy: 0.6095390065353545
Energy: 0.5431365636159561
Energy: 0.6355364967058287
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Energy: 0.5477997292550518
Energy: 0.5603378477088056
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Energy: 0.5426615248368963
Energy: 0.5623348958653885
Energy: 0.6344903440697355
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Energy: 0.5835338794559378
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Energy: 0.577140782735213
Energy: 0.5323205592083144
Energy: 0.5882149880605008
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Energy: 0.5718241606956694
Energy: 0.5776192883894575
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Energy: 0.5887970068902153
Energy: 0.5684975216136547
Energy: 0.5722108815503472
Energy: 0.5931744475877007
Energy: 0.5717197403071193
Energy: 0.6805177725190079
Energy: 0.5701788959626284
Energy: 0.6040071731452218
Energy: 0.6165216278541338
Energy: 0.6063599554906949
Energy: 0.5168156854887316
Energy: 0.5936360019796995
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Energy: 0.61314661895065
Energy: 0.5820864809645259
Energy: 0.5263177663023069
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Energy: 0.6998023193886218
Energy: 0.5848454792795077
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Energy: 0.5631679150512638
Energy: 0.6463699740061326
Energy: 0.6363850964095804
Energy: 0.587791566206292
Energy: 0.5807613390522788
Energy: 0.5696078779585552
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Energy: 0.5686486258123763
Energy: 0.5426757109398942
Energy: 0.5366977868839315
Energy: 0.6546509182977223
Energy: 0.5247487330535635
Energy: 0.5703237624393871
Energy: 0.5476960434176669
Energy: 0.5372648786715555
Energy: 0.6558053757946778
Energy: 0.5196245609654914
Energy: 0.6050784275525577
Energy: 0.6200681788265213
Energy: 0.654721091692685
Energy: 0.5410047227333965
Energy: 0.5683812933260002
Energy: 0.6028866694158319
Energy: 0.6041401861586332
Energy: 0.6437288006946784
Energy: 0.5395824477714792
Energy: 0.5665629547538763
Energy: 0.57322586527911
Energy: 0.5266317347602287
Energy: 0.5672894671076676
Energy: 0.6432530743805431
Energy: 0.6989849187737993
Energy: 0.5806356111467416
Energy: 0.53316361167028
Energy: 0.5907938087128773
Energy: 0.6369938686027029
Energy: 0.6684904125367648
Energy: 0.5995172577089091
Energy: 0.6739302862185473
Energy: 0.6085570450574003
Energy: 0.5813569565282861
Energy: 0.6690018978299966
Energy: 0.6366583212710234
Energy: 0.6707337373031297
Energy: 0.5933695642430391
Energy: 0.577057710136339
Energy: 0.6665969417836298
Energy: 0.6422045385289405
Energy: 0.5861245441968315
Energy: 0.6056853427646551
Energy: 0.6061846210089814
Energy: 0.6523142567664025
Energy: 0.6172214234486416
Energy: 0.545812001039757
Energy: 0.5772365469143936
Energy: 0.6032429862107603
Energy: 0.6630401231352632
Energy: 0.5947399864649764
Energy: 0.5952667555214678
Energy: 0.6281351948559494
Energy: 0.5425560704642941
Energy: 0.6228176231963022
Energy: 0.523841457106741
Energy: 0.5630923809507054
Energy: 0.6484791245114933
Energy: 0.5420926142296284
Energy: 0.5845620318677638
Energy: 0.5711059954334412
Energy: 0.6083106900610574
Energy: 0.6219191480366185
Energy: 0.6048972044126377
Energy: 0.5233587756107627
Energy: 0.5751647138697243
Energy: 0.5931792725614106
Energy: 0.6178125616951884
Energy: 0.5862825600948215
Energy: 0.5877686630770083
Energy: 0.6344457781861432
Energy: 0.573862146859412
Energy: 0.5812266934170803
Energy: 0.5380925966956845
Energy: 0.6284088721882372
Energy: 0.5107785333993712
Energy: 0.5592353967825272
Energy: 0.5958933895844067
Energy: 0.5724217136791141
Energy: 0.5765867795174235

minimum gb energy = 0.435478720321772 eV
minimum distance =  2.22087662819719 Angstroms
sigma value = 165


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

Energy: 0.5862822481175345
Energy: 0.5772817877129028
Energy: 0.5792552639641074
Energy: 0.5373796626220537
Energy: 0.5526504324711689
Energy: 0.5620996406978038
Energy: 0.5270997550275771
Energy: 0.5545691412917915
Energy: 0.5403242471218627
Energy: 0.5546007715425885
Energy: 0.6500989939847897
Energy: 0.6353887103286296
Energy: 0.5326794263182061
Energy: 0.5698427926591761
Energy: 0.5486396769730933
Energy: 0.6528154065975313
Energy: 0.5958057524514627
Energy: 0.5811476784857972
Energy: 0.5590057831824503
Energy: 0.6080650167274171
Energy: 0.5928591925928065
Energy: 0.6015885543069691
Energy: 0.5498071134009646
Energy: 0.6311406917958218
Energy: 0.5584477814647864
Energy: 0.5843871520636947
Energy: 0.5621413879529341
Energy: 0.6058476564463011
Energy: 0.6162593255906059
Energy: 0.5379699620417663
Energy: 0.5711570371976752
Energy: 0.5701956770628144
Energy: 0.62123987871596
Energy: 0.5879101552840114
Energy: 0.5028886882939236
Energy: 0.6018205219588667
Energy: 0.599096584453652
Energy: 0.6114422428556715
Energy: 0.5432799507222834
Energy: 0.5097832992758002
Energy: 0.649149000098807
Energy: 0.5463985919845272
Energy: 0.6039884524607497
Energy: 0.6006252596526163
Energy: 0.6770415129738816
Energy: 0.6024942181179441
Energy: 0.5688252190750873
Energy: 0.6204277138063405
Energy: 0.6114915576014365
Energy: 0.6320608781082063
Energy: 0.5139697305653576
Energy: 0.5934012399879215
Energy: 0.6190665753677485
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Energy: 0.5667833705538059
Energy: 0.5118715351969989
Energy: 0.6104457129874331
Energy: 0.7157549344434069
Energy: 0.5962326706862912
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Energy: 0.7413704114263541
Energy: 0.6375469484369449
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Energy: 0.6144539203441809
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Energy: 0.568081916901269
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Energy: 0.5632575294114447
Energy: 0.617863666528792
Energy: 0.6653223430756616
Energy: 0.5869906725629843
Energy: 0.6453367159265411
Energy: 0.6047728113250554
Energy: 0.5681549587677205
Energy: 0.6413093764469946
Energy: 0.5853341378375448
Energy: 0.6234957049406421
Energy: 0.6147098708257295
Energy: 0.5509386267692312
Energy: 0.7131908867531066
Energy: 0.6881486629962098
Energy: 0.5735911239386651
Energy: 0.6441917574186611
Energy: 0.6263576418745596
Energy: 0.6802494745067743
Energy: 0.5288296010419405
Energy: 0.584629347581553
Energy: 0.6269157283714708
Energy: 0.5905834291969537
Energy: 0.5204596381476475
Energy: 0.6039779280051537
Energy: 0.6279594695102646
Energy: 0.47865350418937536
Energy: 0.5504818859061403
Energy: 0.5407032602057291
Energy: 0.5782813715334189
Energy: 0.6236694318357751
Energy: 0.5637863974311367
Energy: 0.5054026310941837
Energy: 0.6246983242150882
Energy: 0.6085325560713098
Energy: 0.6196093875552664
Energy: 0.6016399294512899
Energy: 0.558849217174226
Energy: 0.6187160739887715
Energy: 0.5880238130787118
Energy: 0.6056761124774175
Energy: 0.5797532445991563
Energy: 0.6110108868868647
Energy: 0.5322579815895943
Energy: 0.5106680417103497
Energy: 0.5890787409728943
Energy: 0.5926874342183132
Energy: 0.5975032471670202
Energy: 0.5358803751167917
Energy: 0.527691243637089
Energy: 0.6043887637759706
Energy: 0.6109602671420901
Energy: 0.6224721467073282
Energy: 0.5816932398687553
Energy: 0.5653298902892839
Energy: 0.6436019736136827
Energy: 0.5173944514916504
Energy: 0.5781436353903008
Energy: 0.6092793480789505
Energy: 0.47778933767549153
Energy: 0.6713057496708139
Energy: 0.5130516439668645
Energy: 0.570567894395368
Energy: 0.6656623313590072
Energy: 0.5555777798763301
Energy: 0.5428154650327762
Energy: 0.5678908286830938
Energy: 0.6000837012222453
Energy: 0.6951048055838601
Energy: 0.5856358753044558
Energy: 0.5444593145253793
Energy: 0.5710777964852307
Energy: 0.5614339401647321

minimum gb energy = 0.47778933767549153 eV
minimum distance =  2.21572076331005 Angstroms
sigma value = 41


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

Energy: 0.6542171603656499
Energy: 0.5379072150801227
Energy: 0.5442136723586322
Energy: 0.5254021593421857
Energy: 0.5197538713423562
Energy: 0.6226681337012352
Energy: 0.5288681408843706
Energy: 0.5360860550162214
Energy: 0.5267616087001608
Energy: 0.49050748647554376
Energy: 0.5553948793173694
Energy: 0.5636925164732908
Energy: 0.5472119251864929
Energy: 0.5617576793434989
Energy: 0.5495266614400652
Energy: 0.5443492015463436
Energy: 0.5234077292469836
Energy: 0.5405544689870261
Energy: 0.5269714963749497
Energy: 0.5848125542048209
Energy: 0.577019244066396
Energy: 0.5714344248470132
Energy: 0.5555038509833495
Energy: 0.54589192056047
Energy: 0.6208718885702441
Energy: 0.5616228014116713
Energy: 0.5500278819028788
Energy: 0.5477103081961053
Energy: 0.5380329754327762
Energy: 0.6797588349685433
Energy: 0.5267760383166532
Energy: 0.5418874114711835
Energy: 0.5693400906483368
Energy: 0.5402058097408311
Energy: 0.5197731804108553
Energy: 0.52231388327531
Energy: 0.5393053696461543
Energy: 0.5642993641181453
Energy: 0.5443722093693034
Energy: 0.5123642704891492
Energy: 0.6127414615834866
Energy: 0.5709366379603867
Energy: 0.5968787261744172
Energy: 0.624887124198321
Energy: 0.6700688597672798
Energy: 0.6104333118055367
Energy: 0.5893479225928715
Energy: 0.5961647172216732
Energy: 0.6293118287257354
Energy: 0.6137872181391557
Energy: 0.534039144179587
Energy: 0.5122064745741418
Energy: 0.5135098286381061
Energy: 0.5636969014057389
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Energy: 0.5160955402103726
Energy: 0.5107860555972839
Energy: 0.4914813975691792
Energy: 0.5647777626121726
Energy: 0.5191176981916992
Energy: 0.5976001640280385
Energy: 0.6244109460221803
Energy: 0.5874632971868684
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Energy: 0.599724685353751
Energy: 0.6147219823022056
Energy: 0.619020287116379
Energy: 0.5771087910027202
Energy: 0.5441468881329794
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Energy: 0.5784689417572945
Energy: 0.6015388381386632
Energy: 0.5623467773470364
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Energy: 0.634301352986422
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Energy: 0.5133382975081836
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Energy: 0.6131321659445229
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Energy: 0.5445918180574736
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Energy: 0.5477084141574333
Energy: 0.5210545062042155
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Energy: 0.6036975179928642
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Energy: 0.5511039925781183
Energy: 0.5771937178527206
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Energy: 0.5678816273878387
Energy: 0.49465349094328354
Energy: 0.5851979305919645
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Energy: 0.6190054398926952
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Energy: 0.563491431219801
Energy: 0.6154447521103977
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Energy: 0.5752179492303581
Energy: 0.5571528297089754
Energy: 0.7003091464755978
Energy: 0.524092829165505
Energy: 0.5826378336617805
Energy: 0.538770309234085
Energy: 0.6005187409957539
Energy: 0.532730903871599
Energy: 0.5415545874510063
Energy: 0.5796193023803021
Energy: 0.5419894132302838
Energy: 0.5788318757013694
Energy: 0.5110132700270722
Energy: 0.5379361673231108
Energy: 0.6098243575525982
Energy: 0.5593679236970447
Energy: 0.5014477519525071
Energy: 0.5914337467432238
Energy: 0.6142083968266688
Energy: 0.6110852049037339
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Energy: 0.5041694589382738
Energy: 0.5778890674133739
Energy: 0.5173306075005472
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Energy: 0.5726126665415385
Energy: 0.6222894323416815
Energy: 0.5280071770570471
Energy: 0.5520851396271235
Energy: 0.5579297098696764
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Energy: 0.5777077926586578
Energy: 0.5442668521838118
Energy: 0.53258367728447
Energy: 0.5546414229115044
Energy: 0.5292458269098921
Energy: 0.5421438042692511
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Energy: 0.5225760957699527
Energy: 0.5249753286078291
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Energy: 0.615490373882309
Energy: 0.5706964619288478
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Energy: 0.5620109956638156
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Energy: 0.614438032410465
Energy: 0.5681535249158471
Energy: 0.5960590633811221
Energy: 0.5249769333705057
Energy: 0.6154300256297066
Energy: 0.551304681550952
Energy: 0.5561830508348183
Energy: 0.5635980759738053
Energy: 0.6201309517261954
Energy: 0.4944753779309365
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Energy: 0.5646943670347833
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Energy: 0.5703258928771072
Energy: 0.5883101484691794
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Energy: 0.6185796021124849
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Energy: 0.5547751983629534
Energy: 0.5758555122466952
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Energy: 0.5304206537290177
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Energy: 0.5123479024684263
Energy: 0.6142466115398773
Energy: 0.6923264143651008
Energy: 0.5559203092310182
Energy: 0.5433679989798216
Energy: 0.6331857864403794
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Energy: 0.591443482138031
Energy: 0.5779937669894284
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Energy: 0.5316301684448932
Energy: 0.6039997285111681
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Energy: 0.5538341802082031
Energy: 0.5696411280361693
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Energy: 0.5190081118567161
Energy: 0.5418583045793298
Energy: 0.547598206695036
Energy: 0.5751845480355221
Energy: 0.529556561476001
Energy: 0.5652180869870636
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Energy: 0.5322838688891888
Energy: 0.5188774527738683
Energy: 0.5704285951997627
Energy: 0.6498866709602767
Energy: 0.5689376192738917
Energy: 0.5426743159408742
Energy: 0.5276015904547506
Energy: 0.5762086909778619
Energy: 0.5641115422241156
Energy: 0.5492026037344512
Energy: 0.5692138714572949
Energy: 0.5681230653900182
Energy: 0.5711022303385351
Energy: 0.5331250188214941
Energy: 0.5441904044847427
Energy: 0.5553733856026118
Energy: 0.5994831193236245
Energy: 0.5463936552728627
Energy: 0.650271568528558
Energy: 0.5348629654740109
Energy: 0.5412492699456901
Energy: 0.5989257372694661
Energy: 0.5504004825060075
Energy: 0.623093570653834
Energy: 0.5599934591965289
Energy: 0.5449037505024714
Energy: 0.5898090542103013
Energy: 0.548951066251242
Energy: 0.5970856700587652
Energy: 0.5466666020751167
Energy: 0.5659174015536726
Energy: 0.5191861948081746
Energy: 0.5540863868995548
Energy: 0.5798465010630993
Energy: 0.5298454664192415
Energy: 0.5565034900090715
Energy: 0.5229452488999646
Energy: 0.4830972432734429
Energy: 0.5643119025827579
Energy: 0.57550981922399
Energy: 0.5564185257149241
Energy: 0.5220250148167139
Energy: 0.42484952652936936
Energy: 0.5595632881288257
Energy: 0.5606301288714712
Energy: 0.5820254966911231
Energy: 0.5179378324197668

minimum gb energy = 0.42484952652936936 eV
minimum distance =  2.24869108000131 Angstroms
sigma value = 185


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

Energy: 0.4846804407635469
Energy: 0.42774050911986583
Energy: 0.36664779575550144
Energy: 0.39980614561366146
Energy: 0.15769727654228574
Energy: 0.3251862684237567
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Energy: 0.4055955869090136
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Energy: 0.4773515089494252
Energy: 0.41500633394116676
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Energy: 0.40402580428692564
Energy: 0.4260276550488962
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Energy: 0.23128950748462163
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Energy: 0.40767375951390744
Energy: 0.45273205243372494
Energy: 0.21137120871476353
Energy: 0.357258647966163
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Energy: 0.41908484077143365
Energy: 0.43351485511328564
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Energy: 0.2164036758165042
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Energy: 0.5325595641560676
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Energy: 0.49747012976011595
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Energy: 0.40777080770690066
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Energy: 0.5259005393469406
Energy: 0.22378460053739074
Energy: 0.46378114412685056
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Energy: 0.4685014498809483
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Energy: 0.5000305104534837
Energy: 0.5013750210144471
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Energy: 0.1927270100677949
Energy: 0.5766437767397761
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Energy: 0.46557996490561526
Energy: 0.20976875310201515
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Energy: 0.47402466963567835
Energy: 0.46651913762633906
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Energy: 0.1859215552969483
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Energy: 0.4894539176873344
Energy: 0.5418695456834638
Energy: 0.44425635676418523
Energy: 0.4369083233843445
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Energy: 0.5916557555816526
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Energy: 0.42425681834952217
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Energy: 0.5880076163553846
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Energy: 0.43960133077708985
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Energy: 0.4188833861016439
Energy: 0.22030024001465348
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Energy: 0.42439097127884307
Energy: 0.44792743895049136
Energy: 0.2174980246822277
Energy: 0.2144494588326722
Energy: 0.4406417638418065
Energy: 0.4272958958003533
Energy: 0.46463941283892857
Energy: 0.45523102502221147
Energy: 0.216977588232322
Energy: 0.48569173678545924
Energy: 0.44412280429114265
Energy: 0.5022044006526637
Energy: 0.4498938729738143
Energy: 0.5042301282291509
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Energy: 0.4424057831188708
Energy: 0.4352592573982608
Energy: 0.23053931606075015
Energy: 0.43018575684973
Energy: 0.4471752075824781
Energy: 0.45361504988222073
Energy: 0.45343646431458745
Energy: 0.2220482781783452
Energy: 0.42554646743514146
Energy: 0.5201566041871702
Energy: 0.3992591332714971
Energy: 0.2519847985729538
Energy: 0.22389880476287172
Energy: 0.4601739636447012
Energy: 0.40793459417647476
Energy: 0.4091225486665615
Energy: 0.20958920488327654
Energy: 0.20804460532669278
Energy: 0.45771307343957174
Energy: 0.4292833519123255
Energy: 0.4330970087229525
Energy: 0.36166301917812893
Energy: 0.46780760509570146
Energy: 0.40891716781065907
Energy: 0.4402810241301498
Energy: 0.4161156441839104
Energy: 0.4689262737091574
Energy: 0.47746623870004506
Energy: 0.3846768386264849
Energy: 0.41450903681648327
Energy: 0.4266858804663499
Energy: 0.32902662897534024
Energy: 0.48013375547451187
Energy: 0.5387707304264968
Energy: 0.47513736555753683
Energy: 0.3945310830900254
Energy: 0.1657173671388821
Energy: 0.45078741373908615
Energy: 0.497121114501218
Energy: 0.5540920808392553
Energy: 0.30510468884781294

minimum gb energy = 0.15769727654228574 eV
minimum distance =  2.2237521986495 Angstroms
sigma value = 33


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

Energy: 0.5149409933327506
Energy: 0.5265007039018184
Energy: 0.5683843689402738
Energy: 0.5724512340622855
Energy: 0.4429197129647964
Energy: 0.47789796995150985
Energy: 0.5109904430448663
Energy: 0.5540991841909619
Energy: 0.5663921283124356
Energy: 0.46911595919289195
Energy: 0.5156929181541542
Energy: 0.5481038029329864
Energy: 0.565006327331814
Energy: 0.5881307466015632
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Energy: 0.5927122559645042
Energy: 0.5592413431573262
Energy: 0.5648353355758992
Energy: 0.5272289318511102
Energy: 0.4976292985230531
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Energy: 0.5666118469966144
Energy: 0.5802456745691885
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Energy: 0.5029303394340844
Energy: 0.5590009867012039
Energy: 0.5378273208349462
Energy: 0.5472762798480324
Energy: 0.5975255362819606
Energy: 0.5241390855319925
Energy: 0.5427249008636054
Energy: 0.5641639737845612
Energy: 0.5262766163653531
Energy: 0.6203075778756342
Energy: 0.4961030198974518
Energy: 0.6279683182278928
Energy: 0.5516840532710232
Energy: 0.5153333100524458
Energy: 0.5629294695789199
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Energy: 0.575008580200442
Energy: 0.6047597330179351
Energy: 0.5089895879483416
Energy: 0.5128608217945748
Energy: 0.5893254799759688
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Energy: 0.528285240179955
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Energy: 0.5980167992296923
Energy: 0.5417022903216964
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Energy: 0.5596994228042588
Energy: 0.4740985772972018
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Energy: 0.5325895386696409
Energy: 0.5601018679156233
Energy: 0.511967777942235
Energy: 0.5728181540558794
Energy: 0.523573273309357
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Energy: 0.5561286302040943
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Energy: 0.5984863976582512
Energy: 0.513449302592984
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Energy: 0.5254850218610313
Energy: 0.5058687129536734
Energy: 0.5716163109076725
Energy: 0.525404617975316
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Energy: 0.47488677313061106
Energy: 0.5049261596265823
Energy: 0.5925834838075834
Energy: 0.5345798291606312
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Energy: 0.5271797115960299
Energy: 0.5822139353634164
Energy: 0.5545088280094419
Energy: 0.5476512880121582
Energy: 0.4881118736556685
Energy: 0.5418197467942653
Energy: 0.5955307346210622
Energy: 0.6712625957986029
Energy: 0.49794983572667745
Energy: 0.5881465159772644
Energy: 0.5463706450175903
Energy: 0.5230582507844168
Energy: 0.5991796021728454
Energy: 0.489992206210773
Energy: 0.5841596148904334
Energy: 0.5507143574264342
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Energy: 0.4833057568256445
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Energy: 0.5543622547726543
Energy: 0.4650968987348083

minimum gb energy = 0.4399146453924427 eV
minimum distance =  2.26364381547277 Angstroms
sigma value = 219


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

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Energy: 0.6017072963759023
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Energy: 0.7168966156827616
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Energy: 0.5999887841856576
Energy: 0.6333537052542703
Energy: 0.6391092194372266
Energy: 0.629463312076158
Energy: 0.6699209852268628

minimum gb energy = 0.5159869127819848 eV
minimum distance =  2.23320006078001 Angstroms
sigma value = 15


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

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Energy: 0.6659910812700254
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minimum gb energy = 0.5041134893683528 eV
minimum distance =  2.24866565297764 Angstroms
sigma value = 293


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

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Energy: 0.6907511148392492
Energy: 0.689363463412696
Energy: 0.6994580977796707
Energy: 0.5628344919057463
Energy: 0.5692365906058463
Energy: 0.6663245338101365
Energy: 0.5738484510097008
Energy: 0.5996214047623151
Energy: 0.6358657990745199
Energy: 0.5705812424954316
Energy: 0.6259325799973496
Energy: 0.5697014760069145
Energy: 0.5896639695333938
Energy: 0.6829389746576517
Energy: 0.6434786100689697
Energy: 0.6265262594782479
Energy: 0.570009277584637
Energy: 0.6458946182129028
Energy: 0.6565463753720576
Energy: 0.6392320757484728
Energy: 0.6283611070102538
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Energy: 0.6059669589516223
Energy: 0.7227031728193495
Energy: 0.6206139352705861
Energy: 0.6263391505547851
Energy: 0.6625841741060134
Energy: 0.5920648476654816
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Energy: 0.6908882236143307
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Energy: 0.6325745761336702
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Energy: 0.6750715141482448
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Energy: 0.6306538502068447
Energy: 0.5574065288093789
Energy: 0.6169090800928351
Energy: 0.6630873083096337
Energy: 0.6725280809148046
Energy: 0.6632031354083953
Energy: 0.5651812132394213
Energy: 0.5846358637120646
Energy: 0.618062664006909
Energy: 0.646663991291691
Energy: 0.6734124625255555
Energy: 0.6410873906110613
Energy: 0.5657333879846552
Energy: 0.6158241745404316
Energy: 0.6170723732045835
Energy: 0.6144987136842776
Energy: 0.64009147456786
Energy: 0.5661683469751203
Energy: 0.6150017486597572
Energy: 0.5723604941928626
Energy: 0.644320188818186
Energy: 0.6434640010063057
Energy: 0.6204579029487405
Energy: 0.6147934645821965
Energy: 0.6881004183054943
Energy: 0.6450219830460012
Energy: 0.6434158994619791
Energy: 0.61783812756248
Energy: 0.6527026335290173
Energy: 0.57169020011452
Energy: 0.7134443831984898
Energy: 0.6998427307011764
Energy: 0.5102087986993994
Energy: 0.5149777582957349
Energy: 0.6855786562008138
Energy: 0.6296866399353388
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Energy: 0.5129285915408843
Energy: 0.6258519748462849
Energy: 0.5852394454344276
Energy: 0.6952605443439099
Energy: 0.5877642444340384
Energy: 0.6183641843569746
Energy: 0.7024967233113864
Energy: 0.5726060203209778
Energy: 0.6914022719663115
Energy: 0.6450165576318243
Energy: 0.5849246443747929
Energy: 0.6869918057342462
Energy: 0.7078113440569063
Energy: 0.6412151102082391
Energy: 0.5117386537461844
Energy: 0.6987731534125015
Energy: 0.6340483267193214
Energy: 0.6340507204464302
Energy: 0.6410842292985003
Energy: 0.7088364511566266
Energy: 0.6123777854496865
Energy: 0.631293874724807
Energy: 0.5890540123828549
Energy: 0.6206771505965663
Energy: 0.6282753253439629
Energy: 0.6179261184750778
Energy: 0.6573951187599889
Energy: 0.5563578001619187
Energy: 0.6429380630677902
Energy: 0.5759934709400049
Energy: 0.5951619069695383
Energy: 0.6543286682480506
Energy: 0.6024074138841444
Energy: 0.6461156033536538
Energy: 0.622980664721762
Energy: 0.663507576471493
Energy: 0.6335185507975684
Energy: 0.6089908461074988
Energy: 0.6231203111301937
Energy: 0.6157684511126492
Energy: 0.6758338984670847
Energy: 0.6212754536615865
Energy: 0.681162279187161
Energy: 0.5872727343459208
Energy: 0.5425411947279399
Energy: 0.7355398311713298
Energy: 0.6051056307147797
Energy: 0.6820552354994309
Energy: 0.5875819532599973
Energy: 0.6377853499309623
Energy: 0.7354198956697394
Energy: 0.5945677851257887
Energy: 0.6759513820059248
Energy: 0.6506684018457667
Energy: 0.7232731718261417
Energy: 0.6098166680740479
Energy: 0.6075663473797659
Energy: 0.6767009545726334
Energy: 0.6476780180793752
Energy: 0.6699662563733818
Energy: 0.6317581693970523
Energy: 0.6409438638584163
Energy: 0.6164199228780953
Energy: 0.5621432956481804
Energy: 0.5641378359153919
Energy: 0.6918395405697145
Energy: 0.547430706118347
Energy: 0.6520468818456358
Energy: 0.5630138596816421
Energy: 0.5698354988153757
Energy: 0.6911269314885351
Energy: 0.5474396850224753
Energy: 0.5726143989937624
Energy: 0.5649287809109385
Energy: 0.6336010323055706
Energy: 0.740700362401916
Energy: 0.6655918077244567
Energy: 0.5751622010506114
Energy: 0.5657878572920747
Energy: 0.6324839094101441
Energy: 0.6847854830396715
Energy: 0.5781098055213673
Energy: 0.6728536843504265
Energy: 0.593376680095661
Energy: 0.6038290833968855
Energy: 0.6936081483065003
Energy: 0.587876410496184
Energy: 0.6863236834074118
Energy: 0.6156173886603399
Energy: 0.5748388278987261
Energy: 0.6660063974381865
Energy: 0.5825730261222031
Energy: 0.6753033039092765
Energy: 0.5112465111135853
Energy: 0.5693214306030674
Energy: 0.6184860930702347
Energy: 0.6835111648009847
Energy: 0.5972864947506106
Energy: 0.5108639696085351
Energy: 0.5734176830304721
Energy: 0.6749889570239163
Energy: 0.6841403216684534
Energy: 0.6827733284479532
Energy: 0.6394870692535788
Energy: 0.617785145900693
Energy: 0.6859235302559197
Energy: 0.6438177739886691
Energy: 0.6370610373975708
Energy: 0.6705099414607633
Energy: 0.5899375124543588
Energy: 0.6852264946002843
Energy: 0.6426720223971089
Energy: 0.4918335723185255
Energy: 0.665134418400154
Energy: 0.6355634158991788
Energy: 0.6160959755813173
Energy: 0.6333450016331879
Energy: 0.5699250292528847
Energy: 0.6673248568782562
Energy: 0.6955153085324478
Energy: 0.6284798652963025
Energy: 0.5840073476493257

minimum gb energy = 0.4918335723185255 eV
minimum distance =  2.25090325737398 Angstroms
sigma value = 293


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

Energy: 0.7161498222420969
Energy: 0.6656199692158805
Energy: 0.8400134697048117
Energy: 0.6707264091695481
Energy: 0.6103695165974732
Energy: 0.6063238183546731
Energy: 0.6651097635485668
Energy: 0.857766246786759
Energy: 0.6716490095243373
Energy: 0.6106758911494039
Energy: 0.727868357518354
Energy: 0.6843092244142481
Energy: 0.6508887342160822
Energy: 0.6585861362322101
Energy: 0.7202814723262457
Energy: 0.7260076306265391
Energy: 0.6838936394205123
Energy: 0.6048480572370603
Energy: 0.656658530517843
Energy: 0.7230183121983224
Energy: 0.6996109510099642
Energy: 0.6506531606432772
Energy: 0.6912148600290836
Energy: 0.678865486123902
Energy: 0.6548989011827222
Energy: 0.7168881389366637
Energy: 0.6508295195971584
Energy: 0.6595431369404946
Energy: 0.649522800077671
Energy: 0.6475144993151226
Energy: 0.8186135255713342
Energy: 0.7349084236181346
Energy: 0.5851444271442015
Energy: 0.7207613774312134
Energy: 0.6461594715671296
Energy: 0.8163638467859383
Energy: 0.7291563007167993
Energy: 0.6111970891418359
Energy: 0.7175008232637698
Energy: 0.5622586164750586
Energy: 0.6810177268837788
Energy: 0.6133994699352504
Energy: 0.5759229692119681
Energy: 0.8503090403052488
Energy: 0.6793579943117181
Energy: 0.6878220365266059
Energy: 0.6154308774411312
Energy: 0.5863935639741489
Energy: 0.8381730331442505
Energy: 0.6797068627305227
Energy: 0.6561323089603167
Energy: 0.7322311758519895
Energy: 0.6585111892328545
Energy: 0.6881810566639461
Energy: 0.6129544145148051
Energy: 0.6618473032820985
Energy: 0.647132008193618
Energy: 0.6763316822991764
Energy: 0.6703670903328794
Energy: 0.6206558401248727
Energy: 0.7549072583106615
Energy: 0.5178507935176503
Energy: 0.7256515086487627
Energy: 0.6504770906693724
Energy: 0.8398895727637841
Energy: 0.7443313502295451
Energy: 0.51836199449138
Energy: 0.7246263191777785
Energy: 0.6520986984968817
Energy: 0.8346521660227549
Energy: 0.7249144472746775
Energy: 0.6549210388215353
Energy: 0.6780280958527594
Energy: 0.6652491407295592
Energy: 0.6085741270784927
Energy: 0.7230397744677033
Energy: 0.6549317295988464
Energy: 0.6761353413656578
Energy: 0.6091527184289646
Energy: 0.6128889784571725
Energy: 0.6647172764329627
Energy: 0.6057648611966578
Energy: 0.6879222264258872
Energy: 0.5709429782114274
Energy: 0.6783731305308187
Energy: 0.7351814911960408
Energy: 0.6822459352897334
Energy: 0.7195857343404786
Energy: 0.568288055039794
Energy: 0.681955499328154
Energy: 0.6736223551401566
Energy: 0.682342059275077
Energy: 0.7174371539054647
Energy: 0.6576118183913144
Energy: 0.6588909504479683
Energy: 0.6828765774105976
Energy: 0.6729388246171696
Energy: 0.6599035994712498
Energy: 0.6566760198986052
Energy: 0.654540153873148
Energy: 0.7302329208288296
Energy: 0.7184946346861234
Energy: 0.6681124157463219
Energy: 0.6707183213561266
Energy: 0.6609529833159242
Energy: 0.7310407437906471
Energy: 0.7240815096078611
Energy: 0.5201994401816996
Energy: 0.6378806422660673
Energy: 0.6584670988771367
Energy: 0.5796227420449319
Energy: 0.6677522539280538
Energy: 0.8599195299439919
Energy: 0.659637211001832
Energy: 0.6111824505247027
Energy: 0.6066279378912075
Energy: 0.6681092031092624
Energy: 0.855064452968568
Energy: 0.6736031087362634
Energy: 0.6097084715725745
Energy: 0.726129567893511
Energy: 0.6828929028394964
Energy: 0.6578083124250594
Energy: 0.6545214275948665
Energy: 0.7225078320812967
Energy: 0.725917685547684
Energy: 0.680261740953478
Energy: 0.6040077440949528
Energy: 0.6553043212897491
Energy: 0.7227614965217785
Energy: 0.7190063592768879
Energy: 0.6504044896726032
Energy: 0.6915963329591857
Energy: 0.6826617110978492
Energy: 0.656444023312203
Energy: 0.7143822052700485
Energy: 0.6513170415528827
Energy: 0.6608579446138454
Energy: 0.6810259444485787
Energy: 0.6462346214270016
Energy: 0.7311564001172524
Energy: 0.732666152711408
Energy: 0.5796079749852021
Energy: 0.7163957315615008
Energy: 0.6451232993122193
Energy: 0.816780607156515
Energy: 0.7271113717840733
Energy: 0.6135787341976087
Energy: 0.7183263958170373
Energy: 0.6449664082773179
Energy: 0.6785808166718196
Energy: 0.6135777484405084
Energy: 0.6628855964013122
Energy: 0.8461465426951323
Energy: 0.6755780612737017
Energy: 0.681631602345631
Energy: 0.6150807859420176
Energy: 0.6639885826787109
Energy: 0.8355490794025343
Energy: 0.6767467045914634
Energy: 0.654323163159164
Energy: 0.7268044176591518
Energy: 0.6873741198061835
Energy: 0.6817959310768638
Energy: 0.6116701096811898
Energy: 0.6583374531027804
Energy: 0.6815681245959014
Energy: 0.6628554066254716
Energy: 0.671768923447858
Energy: 0.6181595516111675
Energy: 0.7572411680915009
Energy: 0.517823178202635
Energy: 0.7249097689395254
Energy: 0.6518835120228346
Energy: 0.8448726949959106
Energy: 0.7452991889051723
Energy: 0.5179392251025878
Energy: 0.7268658275037582
Energy: 0.6475518120671138
Energy: 0.8420471234252752
Energy: 0.7256049783744795
Energy: 0.6489028666432788
Energy: 0.6545086984530694
Energy: 0.5907025428000288
Energy: 0.6127773139486574
Energy: 0.7509253559707619
Energy: 0.6564851856038765
Energy: 0.686397692704814
Energy: 0.5752567700804168
Energy: 0.6146078373222393
Energy: 0.6582770863578301
Energy: 0.6060233261692357
Energy: 0.6877935585431099
Energy: 0.5647108769427505
Energy: 0.6794930507714022
Energy: 0.7395802906820044
Energy: 0.6829593272981936
Energy: 0.6871995763472262
Energy: 0.56860796050696
Energy: 0.6827561780591804
Energy: 0.681062725278522
Energy: 0.6789013825178457
Energy: 0.7202666228090692
Energy: 0.6601123402531034
Energy: 0.6598782072219138
Energy: 0.6808492656835793
Energy: 0.6835339980835753
Energy: 0.6573622444422744
Energy: 0.6587868892383929
Energy: 0.6543342707917065
Energy: 0.7336692436588711
Energy: 0.7192629782446418
Energy: 0.672401290429037
Energy: 0.6699191037091324
Energy: 0.6610849499577597
Energy: 0.7282803549392607
Energy: 0.7241801967541798
Energy: 0.5074182982644798
Energy: 0.6372671069908985
Energy: 0.6570882625744286

minimum gb energy = 0.5074182982644798 eV
minimum distance =  2.24303595664754 Angstroms
sigma value = 15


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

Energy: 0.7476134896812109
Energy: 0.6584747812616719
Energy: 0.6578678461052486
Energy: 0.6760421348703131
Energy: 0.6471075738198164
Energy: 0.6960039815032711
Energy: 0.6717875290302353
Energy: 0.6530329377703147
Energy: 0.6747448480023
Energy: 0.5655890943387448
Energy: 0.618817081398802
Energy: 0.6572536344403899
Energy: 0.5757908147519037
Energy: 0.5948650248745553
Energy: 0.6508844891130934
Energy: 0.6502262081048032
Energy: 0.6860964810316291
Energy: 0.5858055844282937
Energy: 0.650798151759579
Energy: 0.6358157587177898
Energy: 0.6569522012725122
Energy: 0.6848460525813399
Energy: 0.6346106500178745
Energy: 0.625452896347424
Energy: 0.6905617724423396
Energy: 0.6653149773613188
Energy: 0.6899546582400025
Energy: 0.655722473814324
Energy: 0.6493584994850097
Energy: 0.6496175134963347
Energy: 0.6528559924846572
Energy: 0.6138200855101373
Energy: 0.5938468317924818
Energy: 0.6794186218758079
Energy: 0.626299696857192
Energy: 0.6483391140902104
Energy: 0.6237891738315786
Energy: 0.6016151702146911
Energy: 0.6998673086686742
Energy: 0.7053660300647464
Energy: 0.656038078438318
Energy: 0.6161341489868873
Energy: 0.6235154978728865
Energy: 0.5931478861454865
Energy: 0.6493886075352182
Energy: 0.6442330836395832
Energy: 0.6142910161479262
Energy: 0.561052335300533
Energy: 0.5844798413601786
Energy: 0.677923684418273
Energy: 0.6250771702114961
Energy: 0.6120159254836435
Energy: 0.5969195260091351
Energy: 0.741752912136386
Energy: 0.6241259246834214
Energy: 0.635614781525951
Energy: 0.5939383037885095
Energy: 0.5975650378254888
Energy: 0.7156067014188102
Energy: 0.6288040397996811
Energy: 0.5833735442326423
Energy: 0.6027532338986753
Energy: 0.6244649633801347
Energy: 0.7152950452324092
Energy: 0.6686224303424027
Energy: 0.5973563909865566
Energy: 0.6071067455591699
Energy: 0.6179475861843987
Energy: 0.664470228249274
Energy: 0.6976510944982608
Energy: 0.6483676825743369
Energy: 0.5875408799053243
Energy: 0.6103603583455987
Energy: 0.5936098718499918
Energy: 0.6131412370971705
Energy: 0.657596325533548
Energy: 0.5897378115520266
Energy: 0.6127542187934556
Energy: 0.6337680808827568
Energy: 0.678928408960436
Energy: 0.5833725261600113
Energy: 0.6209103772929421
Energy: 0.6333215377289292
Energy: 0.6332611944390834
Energy: 0.6088284164823227
Energy: 0.5798313659226173
Energy: 0.6186525400822286
Energy: 0.6542786520597891
Energy: 0.6945838984447046
Energy: 0.6000241895724966
Energy: 0.6901194778933114
Energy: 0.6394326220855696
Energy: 0.6101805358660036
Energy: 0.6092371670431097
Energy: 0.6398851675762917
Energy: 0.6228637054400622
Energy: 0.6121905775557216
Energy: 0.6042476496419051
Energy: 0.613468676031441
Energy: 0.641901719785177
Energy: 0.6366854979878919
Energy: 0.7030948856110601
Energy: 0.6184347424549913
Energy: 0.6037469108928534
Energy: 0.5999082344256544
Energy: 0.6204483076917613
Energy: 0.7311966035315642
Energy: 0.6103955576529656
Energy: 0.6056874959841203
Energy: 0.5859519065156049
Energy: 0.5825834809867622
Energy: 0.6632131078721266
Energy: 0.6516834383527853
Energy: 0.6773107575339113
Energy: 0.6013919433016436
Energy: 0.5803640041141471
Energy: 0.6717709535502301
Energy: 0.6509108784114013
Energy: 0.66799548856966
Energy: 0.6054910231827864
Energy: 0.6549736525313741
Energy: 0.663279998555771
Energy: 0.6687946754781019
Energy: 0.5916785133492996
Energy: 0.6769725515078058
Energy: 0.6538660556369257
Energy: 0.6694686308624292
Energy: 0.6581970805050815
Energy: 0.607166847839625
Energy: 0.6561170984556498
Energy: 0.592788994412798
Energy: 0.6296898442608216
Energy: 0.6503495606077951
Energy: 0.7110480150467632
Energy: 0.6566398957616739
Energy: 0.5913093469224954
Energy: 0.6870328588460253
Energy: 0.6397906390850362
Energy: 0.7027038251574474
Energy: 0.6254411125430236
Energy: 0.6279711013202247
Energy: 0.6477666496190663
Energy: 0.6345327476780784
Energy: 0.7656071705585124
Energy: 0.714751491172218
Energy: 0.6202912597296812
Energy: 0.6191377726186235
Energy: 0.687168490014177
Energy: 0.6330802142296641
Energy: 0.6764842987902261
Energy: 0.6919490551617566
Energy: 0.6739533690235182
Energy: 0.6791870523196092
Energy: 0.6619527359290974
Energy: 0.6827475984427365
Energy: 0.7043590197201757
Energy: 0.6789836369657846
Energy: 0.6271834970093534
Energy: 0.6434785787041835
Energy: 0.6814699753669909
Energy: 0.6249555260733721
Energy: 0.6436527724790626
Energy: 0.7137610398090677
Energy: 0.7118852661134835
Energy: 0.6234667925367455
Energy: 0.6196268086227802
Energy: 0.6474044779410137
Energy: 0.6960569454131167
Energy: 0.7151160316110367
Energy: 0.6829131554929693
Energy: 0.6317236272759628
Energy: 0.6843912611214016
Energy: 0.6595734409517743
Energy: 0.6093485955245057
Energy: 0.6291726058696019
Energy: 0.6575401928185067
Energy: 0.7026853979872252
Energy: 0.6602422373706189
Energy: 0.6089931422879183
Energy: 0.6130571774726221
Energy: 0.6317736649275729
Energy: 0.6350689136596734
Energy: 0.659587255519923
Energy: 0.5786613435482069
Energy: 0.6254966269477954
Energy: 0.6317676787589863
Energy: 0.6256801555508031
Energy: 0.6067679623197262
Energy: 0.5876662157920004
Energy: 0.5877437812957492
Energy: 0.6370747903053834
Energy: 0.6652982411970605
Energy: 0.6634806931369798
Energy: 0.5931943045926904
Energy: 0.6336565243305651
Energy: 0.6014662602827221
Energy: 0.6863077976634558
Energy: 0.6637550481011587
Energy: 0.6002243762863945
Energy: 0.6452729240798821
Energy: 0.6697545922505398
Energy: 0.6444996896104366
Energy: 0.5924164071699516
Energy: 0.614973255388832
Energy: 0.6200148388398524
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Energy: 0.6691341109644731
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Energy: 0.607156560698793
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Energy: 0.6414566884963709
Energy: 0.6219826896125705
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Energy: 0.559460312596949
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Energy: 0.5424428294553308
Energy: 0.595336431309337
Energy: 0.66141911336961
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Energy: 0.6270266905333967
Energy: 0.6483347481156706
Energy: 0.5853867348434734
Energy: 0.6712845529615633
Energy: 0.5523700394273733
Energy: 0.6585227255099783
Energy: 0.6854709655647997
Energy: 0.6598620742846649
Energy: 0.7169624000924025
Energy: 0.645621490031445
Energy: 0.6228910258622015
Energy: 0.6969627320295212
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Energy: 0.6340620446457335
Energy: 0.6336368868803386
Energy: 0.6968430742582045
Energy: 0.6642206487799031
Energy: 0.6696915206245512
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Energy: 0.6871314176188342
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Energy: 0.6242306092720513
Energy: 0.6581139100774928
Energy: 0.6454930541440511
Energy: 0.6898536106983192
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Energy: 0.6416374661667631
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Energy: 0.6247337607599908
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Energy: 0.5974177679263739
Energy: 0.6918215886970382
Energy: 0.6393364915300269
Energy: 0.6163890904856208
Energy: 0.6111281164941343
Energy: 0.7094992656191899
Energy: 0.6669140163329712
Energy: 0.6376719564417741
Energy: 0.6072721197391274
Energy: 0.6064284541319581
Energy: 0.7285525366130869
Energy: 0.664349509104664
Energy: 0.5906642489078978
Energy: 0.6096229713074436
Energy: 0.6210166812881507
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Energy: 0.6673137613225419
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Energy: 0.5951448380696782
Energy: 0.6262660645122992
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Energy: 0.7032916297210844
Energy: 0.640695576503334
Energy: 0.5989236876721734
Energy: 0.6257634051694233
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Energy: 0.6466413442532298
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Energy: 0.6789765652472234
Energy: 0.572184548845643
Energy: 0.5976772139741185
Energy: 0.6200929973101931
Energy: 0.6125324235600936
Energy: 0.6366411570965043
Energy: 0.5971992519947265
Energy: 0.6436266907669996
Energy: 0.6144324223221108
Energy: 0.6468854808180567
Energy: 0.6280187210259245
Energy: 0.612085463913251
Energy: 0.6408302286100565
Energy: 0.6563753587726535
Energy: 0.6609363487255016
Energy: 0.6330426747511138
Energy: 0.6450055461146832
Energy: 0.6006698633634147
Energy: 0.6396506523750105
Energy: 0.6748760191319054
Energy: 0.6236918507064699
Energy: 0.6293747267382707
Energy: 0.6059158416967131
Energy: 0.5939237399203199
Energy: 0.6797235457607359
Energy: 0.6759556328921502
Energy: 0.6514554828389527
Energy: 0.6595375146678891
Energy: 0.6006850782026149
Energy: 0.6836828685199645
Energy: 0.6175293945140251
Energy: 0.6279354547453594
Energy: 0.6512360334239987
Energy: 0.6481845896332238
Energy: 0.6338725879504048
Energy: 0.5979635553548268
Energy: 0.602348457414454
Energy: 0.6630407851309186
Energy: 0.6501737874022177
Energy: 0.6187561360008045
Energy: 0.633209158126012
Energy: 0.550211135680936
Energy: 0.6636447908992772
Energy: 0.5640836894110987
Energy: 0.678318073263214
Energy: 0.5666617659438943
Energy: 0.6551537920401784
Energy: 0.6105324833913844
Energy: 0.5955872149889014
Energy: 0.6699386799511016
Energy: 0.5954638467554606
Energy: 0.5477765453809332
Energy: 0.6124173995267892
Energy: 0.6253266800963693
Energy: 0.6279582548205439
Energy: 0.6517489073682052
Energy: 0.7624308089194705
Energy: 0.6777960322579095
Energy: 0.6386154772784028
Energy: 0.6298306784004459
Energy: 0.6810719019361978
Energy: 0.6159729007425316
Energy: 0.6833815610973848
Energy: 0.6956495430452885
Energy: 0.6670986405670853
Energy: 0.6605991692850849
Energy: 0.6157277868050702
Energy: 0.6656478868301842
Energy: 0.6709984759085332
Energy: 0.667128667910243
Energy: 0.6600164591156324
Energy: 0.6562335459258959
Energy: 0.5720418749924808
Energy: 0.6790632947454258
Energy: 0.6877735953074646
Energy: 0.6823332506080448
Energy: 0.699815789455192
Energy: 0.6157175182114787
Energy: 0.6354019173834391
Energy: 0.690142784069056
Energy: 0.7163727944668193
Energy: 0.6995966862780746
Energy: 0.6559557125273952
Energy: 0.6494114795267165
Energy: 0.66330886953687
Energy: 0.6696124926815299
Energy: 0.6873613290470661
Energy: 0.635073073910332
Energy: 0.6367736192353423
Energy: 0.6808719373956827
Energy: 0.6384218310220646
Energy: 0.6789592201609694
Energy: 0.6081765976790869
Energy: 0.6313011677943343
Energy: 0.6766329285569468
Energy: 0.6171090625716211
Energy: 0.567668481476703
Energy: 0.6417075596628109
Energy: 0.6292914909359314
Energy: 0.7104063550528734
Energy: 0.6178895325258821
Energy: 0.5810525657462491
Energy: 0.6431970588776769
Energy: 0.5811479490187305
Energy: 0.5871179508005384
Energy: 0.6844157430977298
Energy: 0.6033573199952265
Energy: 0.6342765366654524
Energy: 0.6261903302450581
Energy: 0.6257352520457116
Energy: 0.6515786682881083
Energy: 0.6036643523811374
Energy: 0.6405259981347249
Energy: 0.6647388968257659
Energy: 0.7121096237520023
Energy: 0.608316064684129
Energy: 0.6655115320957838
Energy: 0.6640984025926701
Energy: 0.6630137256733045
Energy: 0.6485131244802967
Energy: 0.6066475218873207
Energy: 0.6727599231506555
Energy: 0.6634947620383345
Energy: 0.6106256041386126
Energy: 0.605676273191233
Energy: 0.6839337277748352
Energy: 0.6250912834129645
Energy: 0.6251818569321356
Energy: 0.625926417262155
Energy: 0.629830197845964
Energy: 0.6530164544541658
Energy: 0.6383133446533795
Energy: 0.6179733999525143
Energy: 0.6175309083713798
Energy: 0.6000609595436762
Energy: 0.626975505236693
Energy: 0.6274919956754681
Energy: 0.6333256165840306
Energy: 0.6016785746305494
Energy: 0.6050180373584811
Energy: 0.620177684666216
Energy: 0.6215723981254266
Energy: 0.6382591939783179
Energy: 0.6231081873805655
Energy: 0.6080623247547527
Energy: 0.5696317570993884
Energy: 0.6544136598519155
Energy: 0.7142137478096263
Energy: 0.5859453653142626
Energy: 0.6176041522756458
Energy: 0.5726194048104499
Energy: 0.6589077535451131
Energy: 0.6977396041892698
Energy: 0.6733426601785075
Energy: 0.688091469155568
Energy: 0.6432941377978703
Energy: 0.7087045111157283
Energy: 0.626376315790909
Energy: 0.6767182246172495
Energy: 0.6718988786856079
Energy: 0.5982100505368563
Energy: 0.6758975373016572
Energy: 0.628669843591558

minimum gb energy = 0.5424428294553308 eV
minimum distance =  2.22410759403896 Angstroms
sigma value = 437


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

Energy: 0.6003833885245028
Energy: 0.617794723795813
Energy: 0.617429853464627
Energy: 0.6083173837538846
Energy: 0.5390520018279784
Energy: 0.5578590437476026
Energy: 0.617682790480348
Energy: 0.609461402588267
Energy: 0.6017644942392669
Energy: 0.5708138806939693
Energy: 0.682249947779277
Energy: 0.6366586509577805
Energy: 0.6042424237215417
Energy: 0.6026799609747777
Energy: 0.6393508204048945
Energy: 0.6574633048888189
Energy: 0.6343884850065676
Energy: 0.5699988156799464
Energy: 0.6258396729314746
Energy: 0.6691483616634863
Energy: 0.5946729735486592
Energy: 0.6507361477036512
Energy: 0.5753759839711106
Energy: 0.5905561854132125
Energy: 0.6364454536323016
Energy: 0.6246973092103686
Energy: 0.6512527985939871
Energy: 0.5732496131514973
Energy: 0.5794791421785976
Energy: 0.6400091563676789
Energy: 0.5953191791479275
Energy: 0.6058718024823495
Energy: 0.526648378498718
Energy: 0.6127136582486933
Energy: 0.6185594881016893
Energy: 0.590162302435232
Energy: 0.5761602990477338
Energy: 0.5867348409791707
Energy: 0.6123765002973124
Energy: 0.6021630714971876
Energy: 0.5967889515542916
Energy: 0.587188848125677
Energy: 0.6400802663609179
Energy: 0.5907745933984841
Energy: 0.6036770164806091
Energy: 0.5916994750175946
Energy: 0.5877261867835935
Energy: 0.5315002802013612
Energy: 0.5929124669714694
Energy: 0.6671433501878201
Energy: 0.629082331443886
Energy: 0.5657697871705821
Energy: 0.6224028909323649
Energy: 0.6083072031422315
Energy: 0.6654168758431666
Energy: 0.6255750814624332
Energy: 0.5897089147869806
Energy: 0.6564435530193212
Energy: 0.6155907580971104
Energy: 0.5482226892836346
Energy: 0.6065063596871945
Energy: 0.6133743432496696
Energy: 0.5964803217580088
Energy: 0.6056348495493307
Energy: 0.7224144713665558
Energy: 0.605702480012575
Energy: 0.5863618331411238
Energy: 0.5953148536976286
Energy: 0.577488567046904
Energy: 0.6547192693982719
Energy: 0.6439538726869841
Energy: 0.5892130597784411
Energy: 0.5548072825365479
Energy: 0.6413137985682157
Energy: 0.6226560801528231
Energy: 0.6441705287195301
Energy: 0.5874442564740436
Energy: 0.6116209251255789
Energy: 0.6417230964322401
Energy: 0.6270877167160743
Energy: 0.5460110051721883
Energy: 0.5733201707351456
Energy: 0.6284395016372789
Energy: 0.6559176362248558
Energy: 0.5602538570313828
Energy: 0.5719702792817627
Energy: 0.5301228125660227
Energy: 0.6318732487052892
Energy: 0.6090434280393567
Energy: 0.5758471813096157
Energy: 0.6210043178847107
Energy: 0.5490354592615405
Energy: 0.5453734851698855
Energy: 0.5660963188431483
Energy: 0.6441256704922595
Energy: 0.5706125114890238
Energy: 0.5627826812620816
Energy: 0.5460791383770696
Energy: 0.5666914155957677
Energy: 0.6476266396724311
Energy: 0.5516960533695957
Energy: 0.6391700760381309
Energy: 0.6194893316757147
Energy: 0.5841145002509928
Energy: 0.5268550927706732
Energy: 0.5710688022186711
Energy: 0.5938521209872757
Energy: 0.6153365587585574
Energy: 0.5406320315934804
Energy: 0.5590798232699027
Energy: 0.5367730956422535
Energy: 0.5345794450790419
Energy: 0.641363246042758
Energy: 0.5710803059559305
Energy: 0.6264501874975619
Energy: 0.5359237938043939
Energy: 0.5405265241868628
Energy: 0.6189085176127593
Energy: 0.6280813538770208
Energy: 0.5549441288511688
Energy: 0.5729713413535812
Energy: 0.5390634620030581
Energy: 0.5940829756641579
Energy: 0.6256799391487999
Energy: 0.6169726529151092
Energy: 0.5748879067629314
Energy: 0.6363172402840535
Energy: 0.5595290172781516
Energy: 0.6542636086034967
Energy: 0.6150215533295652
Energy: 0.5929868893213919
Energy: 0.6498494572931068
Energy: 0.6498616647231938
Energy: 0.6174795163312807
Energy: 0.5262607794216307
Energy: 0.5227054624857779
Energy: 0.6244046541160894
Energy: 0.6328076701018889
Energy: 0.5596205638263537
Energy: 0.5945970420846074

minimum gb energy = 0.5227054624857779 eV
minimum distance =  2.24334510113581 Angstroms
sigma value = 33