Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
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=3.646125234663486
cohesive_energy=3.9070925642619274
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=[1.7494807537299598e-19, 2.47102100085186e-19, 3.02252224180734e-19, 3.46993006685184e-19, 3.85589441798244e-19, 4.1870162629312195e-19, 4.474078250445e-19, 4.72454652363822e-19, 4.94382041776746e-19, 5.1433074304668e-19, 5.32310369233428e-19, 5.4817672443993e-19, 5.621380916286059e-19, 5.743594949927579e-19, 5.849835282528119e-19, 5.941335590095859e-19, 6.01908922214388e-19, 6.085691704819259e-19, 6.140918733393239e-19, 6.184850416697519e-19, 6.218143647152039e-19, 6.24132714304602e-19, 6.25492962266868e-19, 6.25936765194486e-19, 6.254577143809199e-19, 6.23906807399208e-19, 6.210837721700999e-19, 6.17696770765824e-19, 6.129206822198699e-19, 6.0616750770756e-19, 5.97049520483466e-19, 5.85089271910656e-19, 5.697003653410859e-19, 5.5016342346609e-19, 5.25709401501348e-19, 4.951927431535499e-19, 4.571170154465399e-19, 4.0967496313716594e-19, 3.5053221486969e-19, 2.7830609220897e-19, 1.8777510150479997e-19, 7.35538464373158e-20, -7.05073075677648e-20, -2.5471404127332e-19, -4.92832736971668e-19, -8.0443686616506e-19, -1.219370173015014e-18, -1.7822933311942798e-18, -2.56272959138202e-18, -3.68739350138466e-18, -5.3720181449703e-18, -8.03422688355738e-18, -1.2560808462298558e-17, -2.1167156600091e-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: 0.01675765283329371
Energy: 0.01784521711531388
Energy: 0.1849365268191851
Energy: 0.18380122932214688
Energy: 0.022450537373871805
Energy: 0.0186852525408567
Energy: 0.1836927116044828
Energy: 0.18662417157083863
Energy: 0.1834791105128482
Energy: 0.021801190900728944
Energy: 0.01777348901499074
Energy: 0.19152574972993927
Energy: 0.18470792723321913
Energy: 0.1850870319980658
Energy: 0.18585804156605729
Energy: 0.1805939998495057
Energy: 0.19190488266088532
Energy: 0.18451782902866226
Energy: 0.18606954091029254
Energy: 0.18480112784642266
Energy: 0.18656160565235513
Energy: 0.022541061356656535
Energy: 0.017294107496789276
Energy: 0.1818211833444717
Energy: 0.1840208579818439
Energy: 0.1906145162466556
Energy: 0.021174478375754754
Energy: 0.017380904505965536
Energy: 0.18048891277709508
Energy: 0.185542464501191
Energy: 0.18308076145935992
Energy: 0.019082062897436993
Energy: 0.01894607961364275
Energy: 0.18977155522384087
Energy: 0.18160822089341866
Energy: 0.18421476097858044
Energy: 0.02003705894025772
Energy: 0.01771155654724644
Energy: 0.1843931041334547
Energy: 0.18092397462220033
Energy: 0.18182112398564534
Energy: 0.18301189323730477
Energy: 0.18727476587790934
Energy: 0.019720036839078723
Energy: 0.018833663089487404
Energy: 0.1807406473482619
Energy: 0.1841505904325623
Energy: 0.1855885061503373
Energy: 0.02095447193172708
Energy: 0.18956777906999128
Energy: 0.18764883139024705
Energy: 0.18212393594035717
Energy: 0.18320557273186067
Energy: 0.018311545151541268
Energy: 0.01764481767767833
Energy: 0.1867980957932602
Energy: 0.1817068951142164
Energy: 0.18472981984134149
Energy: 0.019145235243930032
Energy: 0.01770852421259501
Energy: 0.017689235253899486
Energy: 0.18842213252244555
Energy: 0.1824752575203062
Energy: 0.18617287040669694
Energy: 0.1874779133660243
Energy: 0.017685973214581516
Energy: 0.18991116614222972
Energy: 0.1815184969902688
Energy: 0.18309971130154806
Energy: 0.185575868812303

minimum gb energy = 0.01675765283329371 eV
minimum distance =  2.53885558559552 Angstroms
sigma value = 3


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

Energy: 1.561103698295574
Energy: 1.464352611996463
Energy: 1.410934098294239
Energy: 1.3441463507002553
Energy: 1.3835301837015275
Energy: 1.3793722311283325
Energy: 1.3409270884595952
Energy: 1.4144384208547953
Energy: 1.412449332695742
Energy: 1.463677688158813
Energy: 1.1309225046902862
Energy: 1.495525537886832
Energy: 1.4155061592384754
Energy: 1.3445317349023695
Energy: 1.1745387939944496
Energy: 1.1733407340741622
Energy: 1.3098103811761186
Energy: 1.494332769835944
Energy: 1.1949859954846918
Energy: 1.1874269060486022
Energy: 1.3175145621484317
Energy: 1.5280131143385434
Energy: 1.2978696565455576
Energy: 1.1694852593280496
Energy: 1.1742524877025546
Energy: 1.1697179844278547
Energy: 1.526159064321182
Energy: 1.2972031250584128
Energy: 1.1699464165113673
Energy: 1.3459995467281134
Energy: 1.3179540234351454
Energy: 1.4946995359503803
Energy: 1.2985534881899374
Energy: 1.1694741406595535
Energy: 1.1743792713267198
Energy: 1.1703536576068907
Energy: 1.4881692239519457
Energy: 1.301472320080932
Energy: 1.3171972305381472
Energy: 1.3407301154606415
Energy: 1.3546065431133614
Energy: 1.4710594253006222
Energy: 1.548007337763849
Energy: 1.5971542161358383
Energy: 1.2716280599044745
Energy: 1.5272900283955062
Energy: 1.4712059181059314
Energy: 1.4107703949830157
Energy: 1.4251634522420367
Energy: 1.1293888795518148
Energy: 1.5416104290233614
Energy: 1.4690002736156496
Energy: 1.481538864038668
Energy: 1.435511703626299
Energy: 1.547894020903191
Energy: 1.5395905571304502
Energy: 1.5223061126273258
Energy: 1.3627802903495854
Energy: 1.4239273931103238
Energy: 1.5001289333582384
Energy: 1.6126340605621439
Energy: 1.4888014728183978
Energy: 1.4481674884780225
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Energy: 1.4863292670498969
Energy: 1.6077505190599646
Energy: 1.485240614066335
Energy: 1.1014881907028902
Energy: 1.4307677919443145
Energy: 1.624086178823896
Energy: 1.6226539300322234
Energy: 1.6033468760277343
Energy: 1.3836914164738163
Energy: 1.3889630197969136
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Energy: 1.4750626685898143
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Energy: 1.5169420398614892
Energy: 1.51010648401474
Energy: 1.6170096146755513
Energy: 1.606203276502397
Energy: 1.097672657398434
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Energy: 1.441213035948213
Energy: 1.6081372942120338
Energy: 1.4741146043019797
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Energy: 1.296563807676084
Energy: 1.3006341555690497
Energy: 1.2701924898130672
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Energy: 1.3129140586807815
Energy: 1.2983659166608854
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Energy: 1.2986695277186702
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Energy: 1.7241391106781991
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Energy: 1.2752045617160168
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Energy: 1.5230428292751115
Energy: 1.3152060824833192
Energy: 1.097164755711991
Energy: 1.3143230319965915
Energy: 1.474072168856145
Energy: 1.5227574816503582
Energy: 1.3959085308223167
Energy: 1.1004180609673577
Energy: 1.5443781877032243
Energy: 1.4968563613941317
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Energy: 1.0984015143791779
Energy: 1.0989147190487967
Energy: 1.5482993332803099
Energy: 1.5530091117472227
Energy: 1.6216219774368825
Energy: 1.505494952811967
Energy: 1.4351126431680767
Energy: 1.5457467623044512
Energy: 1.434997929256278
Energy: 1.4324234001314053
Energy: 1.426948510680203
Energy: 1.437084678792647
Energy: 1.5445125946339822
Energy: 1.5444403285931465
Energy: 1.5071233896288077
Energy: 1.2721281387269803
Energy: 1.4778511290907943
Energy: 1.5477011158653513
Energy: 1.54326249240838
Energy: 1.0996313913764109
Energy: 1.097776958407431
Energy: 1.4364391104106085
Energy: 1.5454741284566802
Energy: 1.5437396043147722
Energy: 1.0997185533404699
Energy: 1.1309914369468355
Energy: 1.3668774100433594
Energy: 1.2972251621016346
Energy: 1.127465168211312
Energy: 1.0979155589080134
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Energy: 1.363658239204684
Energy: 1.298270214241737
Energy: 1.127719099941774
Energy: 1.4268710382611218
Energy: 1.1580366081621756
Energy: 1.2974981508561725
Energy: 1.2994508498241883
Energy: 1.126953805661996
Energy: 1.3167195992465368
Energy: 1.1276778948014492
Energy: 1.298356926801046
Energy: 1.2998211465316176
Energy: 1.217036690782078
Energy: 1.3213734377384672
Energy: 1.652052808782968
Energy: 1.5726814160316944
Energy: 1.4082871863265487
Energy: 1.4267973680170172
Energy: 1.0987138028960857
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Energy: 1.5460900214257565
Energy: 1.4553650336439294
Energy: 1.4320248128152946
Energy: 1.1994666883892933
Energy: 1.539101231539114
Energy: 1.5217323323593035
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Energy: 1.5675526074918247
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Energy: 1.5249403962722934
Energy: 1.51509868604641
Energy: 1.4779948082976933
Energy: 1.6361687099729147
Energy: 1.609273365034678
Energy: 1.5449375908607195
Energy: 1.2764507767632114
Energy: 1.4269346424967297
Energy: 1.4824278825147026
Energy: 1.4687063276158934
Energy: 1.5778007796984472
Energy: 1.3257530482224371
Energy: 1.4289447302997873
Energy: 1.2772485535070932
Energy: 1.624034870209079
Energy: 1.6054146245620808
Energy: 1.3863112995139655
Energy: 1.3380503537701067
Energy: 1.6110107866239542
Energy: 1.6109142138346007
Energy: 1.6055152686579457
Energy: 1.214532337304309
Energy: 1.3900210145659728
Energy: 1.6096172883282964
Energy: 1.6211835122040117
Energy: 1.612421006328925
Energy: 1.2694593996115917
Energy: 1.357864857908587
Energy: 1.4832795553559455
Energy: 1.4782836314494674
Energy: 1.3204995774556592
Energy: 1.2718551529056137
Energy: 1.3894802256509489
Energy: 1.605939578822053
Energy: 1.4188951493212096
Energy: 1.3067006367977616
Energy: 1.4257507683708557
Energy: 1.3945195485182673
Energy: 1.29676135209269
Energy: 1.3123788969570094
Energy: 1.4313789611380785
Energy: 1.2638597596317356
Energy: 1.3260879284055187
Energy: 1.2988825011195735
Energy: 1.234677285323243
Energy: 1.4333870073645514
Energy: 1.3230129405783466
Energy: 1.3120976039331702
Energy: 1.3003453674165588
Energy: 1.3024219947976465
Energy: 1.4262218196759209
Energy: 1.3044520069118328
Energy: 1.3185412963951502
Energy: 1.2979568374191737
Energy: 1.5875318616076057
Energy: 1.2727993967178244
Energy: 1.368278707227206
Energy: 1.3214404034348415
Energy: 1.486636215640858
Energy: 1.171722648163134
Energy: 1.1736230499733702
Energy: 1.4362171716802272
Energy: 1.6191773433105163
Energy: 1.4891091482910388
Energy: 1.4084461177935093
Energy: 1.4942677568898552
Energy: 1.4065710692040327
Energy: 1.4706005134885431
Energy: 1.5206696307490444
Energy: 1.3554568858955773
Energy: 1.1726068822832685
Energy: 1.3555215378363712
Energy: 1.520744353257249
Energy: 1.538518860110994
Energy: 1.531455313756541
Energy: 1.2406130950741519
Energy: 1.4945669205114274
Energy: 1.4129838300238753
Energy: 1.3675786233130955
Energy: 1.1727544408819066
Energy: 1.1743641149918647
Energy: 1.413171691371389
Energy: 1.3460880111548352
Energy: 1.6092139563992698
Energy: 1.4662212323974328
Energy: 1.340231514721504
Energy: 1.4945797511756347
Energy: 1.34378690329893
Energy: 1.3828562413460916
Energy: 1.379695134215878
Energy: 1.341013833825745
Energy: 1.4138452283511587
Energy: 1.3449385926727149
Energy: 1.46398193823483

minimum gb energy = 1.097164755711991 eV
minimum distance =  2.20664916599206 Angstroms
sigma value = 75


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

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Energy: 1.7170101510309757
Energy: 1.6214948570582208
Energy: 1.622900174472152
Energy: 1.6052832866905045
Energy: 1.6070137167621905
Energy: 1.6222584907942492
Energy: 1.3984364981321324
Energy: 1.62210915674975
Energy: 1.6796575875811932
Energy: 1.493611019915393
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Energy: 1.422023311737733
Energy: 1.54891329938877
Energy: 1.526153005003578
Energy: 1.6841283251522894
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Energy: 1.4220794651580504
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Energy: 1.5134877575134278
Energy: 1.8122389634956702
Energy: 1.7554771825009652
Energy: 1.4382742078868487
Energy: 1.557282704539251
Energy: 1.5255906950781921
Energy: 1.812161109633077
Energy: 1.7665649984875023
Energy: 1.5527568800511988
Energy: 1.4415203391934635
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Energy: 1.4415817320156212
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Energy: 1.4738130275242978
Energy: 1.5841344683878784
Energy: 1.5609862867509772
Energy: 1.7432693353003568
Energy: 1.4886055485738976
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Energy: 1.7618023460881969
Energy: 1.637958480040701
Energy: 1.6461755123425494
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Energy: 1.6354468956942112
Energy: 1.7180837529380633
Energy: 1.7715280213310842
Energy: 1.7154150779064283
Energy: 1.748340163236186
Energy: 1.7144903420697046
Energy: 1.4531138000581125
Energy: 1.6600019319508228
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Energy: 1.4401653062818436
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Energy: 1.7016999979547263
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Energy: 1.5531113084495192
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Energy: 1.7567473489868008
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Energy: 1.6052409720247451
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Energy: 1.5683656214954251
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Energy: 1.714495082410576
Energy: 1.719910753814596
Energy: 1.739854665360191
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Energy: 1.7132201602946637
Energy: 1.6559509061812145
Energy: 1.6159322843562807
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Energy: 1.7115630744048034
Energy: 1.5279822101314813
Energy: 1.7139290065997361
Energy: 1.4860828771900698
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Energy: 1.6863184396524395
Energy: 1.4418752893558482
Energy: 1.5195011456022247
Energy: 1.5041477625772748
Energy: 1.506147737123857
Energy: 1.6368692774382325
Energy: 1.4430037950305061
Energy: 1.548183534965281
Energy: 1.5822226896342675
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Energy: 1.442703529755242
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Energy: 1.5929644081081642
Energy: 1.6096207814163896
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Energy: 1.5729381269871836
Energy: 1.5662771389272874
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Energy: 1.8149274662728718
Energy: 1.5020658407075749
Energy: 1.696950126971192
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minimum gb energy = 1.3971949924829814 eV
minimum distance =  2.29651282973548 Angstroms
sigma value = 105


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

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Energy: 1.5732631245268054
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Energy: 1.5703782044532741
Energy: 1.672780239862255
Energy: 1.5725072401148177
Energy: 1.5835890497819507
Energy: 1.5829170484834898
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Energy: 1.62115006425477
Energy: 1.5422002001462263
Energy: 1.535056346884852
Energy: 1.5353908798425253
Energy: 1.5353878013122937
Energy: 1.4948799591696087
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Energy: 1.5722915756056948
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Energy: 1.5322892429957284
Energy: 1.6420553081763558
Energy: 1.5376359314932022
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Energy: 1.4994368555228779
Energy: 1.6719164635218782
Energy: 1.6561581450453593
Energy: 1.5396248066324154
Energy: 1.6546323136827423
Energy: 1.6361385882348942
Energy: 1.6389734191856484
Energy: 1.6487892988210762
Energy: 1.6540161593175144
Energy: 1.7336575259866414
Energy: 1.756909754773433
Energy: 1.6400069468857383
Energy: 1.6489638425048314
Energy: 1.6537052655239664
Energy: 1.5795187962544446
Energy: 1.5741583468088598
Energy: 1.4718710501973788
Energy: 1.4717911518316222
Energy: 1.6416286666741835
Energy: 1.4999881700709132
Energy: 1.4711333316916964
Energy: 1.4732730211991334
Energy: 1.4708167398814094
Energy: 1.6665026652575803
Energy: 1.4928242542160173
Energy: 1.4718526343920926
Energy: 1.4718548359969403
Energy: 1.4704004110563273
Energy: 1.4532260761047935
Energy: 1.44589906033423
Energy: 1.4714631910315097
Energy: 1.4717851066382646
Energy: 1.4709833308271587
Energy: 1.5737200754627332

minimum gb energy = 1.44589906033423 eV
minimum distance =  2.29937091854629 Angstroms
sigma value = 165


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

Energy: 1.6813514233189546
Energy: 1.5698228084800425
Energy: 1.5246448281254925
Energy: 1.5256425355510144
Energy: 1.4973574838462327
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Energy: 1.6805340799465345
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Energy: 1.5059351682954045
Energy: 1.5660066946555915
Energy: 1.590429296682965
Energy: 1.639410131397936
Energy: 1.699214045679515
Energy: 1.6969611251585175
Energy: 1.6156485421191733
Energy: 1.6689685179267182
Energy: 1.6522278311339367
Energy: 1.5066154629225361
Energy: 1.5071046526555283
Energy: 1.5205118417502224
Energy: 1.6705907480973212
Energy: 1.5837129443981148
Energy: 1.6067791380027623
Energy: 1.6200225239068071
Energy: 1.5958194576724158
Energy: 1.595250916861846
Energy: 1.5889055958017115
Energy: 1.583779094381361
Energy: 1.566959201020708
Energy: 1.5085972128029341
Energy: 1.659810182832216
Energy: 1.5894341726521994
Energy: 1.5468865179631737
Energy: 1.566493539698004
Energy: 1.6348159550752528
Energy: 1.5671382623431556
Energy: 1.6893871320159657
Energy: 1.6652005091448203
Energy: 1.5249696874290208
Energy: 1.5084014603916254
Energy: 1.5664600179189447
Energy: 1.5910471742369328
Energy: 1.523046084910109
Energy: 1.527471414996547
Energy: 1.6251790296679893

minimum gb energy = 1.48381543469398 eV
minimum distance =  2.29007957594756 Angstroms
sigma value = 41


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

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Energy: 1.3104309144795796
Energy: 1.3108617424388105
Energy: 1.2981093713764704
Energy: 1.2975134139405147
Energy: 1.4510960424929393
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Energy: 1.4797003804435
Energy: 1.300249197996532
Energy: 1.3632779132440838
Energy: 1.3388671348183891
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Energy: 1.3625574262272964
Energy: 1.3460540782455621
Energy: 1.3435881733526094
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Energy: 1.5145113568181745
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Energy: 1.4951608477917249
Energy: 1.4186223365959083
Energy: 1.4999677701554024
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Energy: 1.4953103286986316
Energy: 1.3513334539042505
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Energy: 1.4322074134127183
Energy: 1.4802824567754205
Energy: 1.4899283548409694
Energy: 1.3846115921449709
Energy: 1.4954411031478148
Energy: 1.4995871219130685
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Energy: 1.3242132052726416
Energy: 1.39542464571149
Energy: 1.4976251439722388
Energy: 1.4599328730703907
Energy: 1.474858759680145
Energy: 1.373741781308288
Energy: 1.395423255467025
Energy: 1.4967383068670208
Energy: 1.4828055619704703
Energy: 1.3267429285579297
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Energy: 1.3930107691830433
Energy: 1.4922434218986265
Energy: 1.4828179780536048
Energy: 1.4170716635786982
Energy: 1.4084169718918542
Energy: 1.3242056311427912
Energy: 1.3257543351715313
Energy: 1.494352937024298
Energy: 1.3952278405020002
Energy: 1.3561907243251194
Energy: 1.3643567250660538
Energy: 1.3707368767308443
Energy: 1.4983088136528058
Energy: 1.3938084616516209
Energy: 1.355199004281506
Energy: 1.375096512285881
Energy: 1.4717658788599348
Energy: 1.3215421487265333
Energy: 1.3225567179315165
Energy: 1.2976151218693797
Energy: 1.3239450979847467
Energy: 1.418119511453672
Energy: 1.3573561529819145
Energy: 1.3850854719400991
Energy: 1.3435472172105545
Energy: 1.2995706928055726
Energy: 1.4181743634782413
Energy: 1.3138461058399764
Energy: 1.298020224373404
Energy: 1.3169901748855586
Energy: 1.3004333280132143
Energy: 1.3062010140112799
Energy: 1.312495923423887
Energy: 1.3648508287279777
Energy: 1.3210999497516676
Energy: 1.503925231277734
Energy: 1.5070732988883464
Energy: 1.3156699563151375
Energy: 1.312791884785883
Energy: 1.2964245045074074
Energy: 1.4689537644103674
Energy: 1.4742157015982325
Energy: 1.310974607000935
Energy: 1.2980442455306045
Energy: 1.2999257034624545
Energy: 1.4834347447836038
Energy: 1.298690966269172
Energy: 1.311696055601468
Energy: 1.2979582950321984
Energy: 1.3144574666735305
Energy: 1.5267944366405475
Energy: 1.2985596304897384
Energy: 1.3147057991655215
Energy: 1.2977170758445278
Energy: 1.3232508593176866

minimum gb energy = 1.2945485287284113 eV
minimum distance =  2.30694635975634 Angstroms
sigma value = 185


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

Energy: 1.643413250667813
Energy: 1.0165810040870367
Energy: 0.8985372528711002
Energy: 0.8754671609036762
Energy: 0.7848163858386134
Energy: 0.7884534092604318
Energy: 0.8618573996964386
Energy: 0.9344429732600116
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Energy: 0.9467452024340862
Energy: 0.9431438650480036
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Energy: 1.0570025113478858
Energy: 0.9973373171886063
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Energy: 1.0127913567937439
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Energy: 0.8622309669466486
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Energy: 0.9320105905950178
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Energy: 0.893763578544398
Energy: 0.9316515747896496
Energy: 0.9238962835981087
Energy: 0.9337603090857141
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Energy: 0.9641300915961062
Energy: 0.9930964813560457
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Energy: 0.8624406283065866
Energy: 0.8898472130665075
Energy: 1.0074650928372344
Energy: 0.9462089297875063
Energy: 0.8030756241648996
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Energy: 0.87613130012843
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Energy: 0.9066400078582517
Energy: 0.8997241954039402
Energy: 0.8928624784563678
Energy: 1.0063028913789425
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Energy: 0.8045746567132486
Energy: 0.8052157705954388
Energy: 0.9299016792122211
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Energy: 0.9021838004516857
Energy: 0.9015632031589352
Energy: 0.9456374262614273
Energy: 1.191828258602201
Energy: 0.9847724723390574
Energy: 1.022349497712924
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Energy: 0.9121801334393757
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Energy: 0.8587456184503347
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Energy: 0.904800710952474
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Energy: 0.8323321223098806
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Energy: 0.9016935852822264
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Energy: 0.9003172290556702
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Energy: 0.9434201133866953
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Energy: 0.9330979919621852
Energy: 0.9357025565765608
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Energy: 1.0289126656464638
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Energy: 0.9080655351547144
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Energy: 0.8082757772217608
Energy: 1.0426800837286994
Energy: 0.9194438772815261
Energy: 0.9105043811492161
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Energy: 1.0290404187444304
Energy: 1.02152373993681
Energy: 1.0331875386866616
Energy: 0.9792252645432812
Energy: 0.8872588384048196
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Energy: 0.9066344532836961
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Energy: 1.025395570190961
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Energy: 0.8359082234092464
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Energy: 1.0124481443806583
Energy: 0.8880092590842933
Energy: 0.8741454083116358
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Energy: 0.9293724975114633
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Energy: 0.8561776905384184
Energy: 1.0321003547990046
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Energy: 0.8737708873589483
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Energy: 1.1814795598837569
Energy: 0.9303551129643376
Energy: 0.9952668535417658
Energy: 1.0016909165374903
Energy: 0.9232388414338715
Energy: 0.8941999545942625
Energy: 0.937244405741609
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Energy: 0.9237463687536052
Energy: 0.8599530369268494
Energy: 0.9102832985586155
Energy: 0.8938902561585262
Energy: 0.9618146372144248
Energy: 0.98014761524153
Energy: 0.8995766017021892
Energy: 0.9859111562294597
Energy: 0.7862390729934023
Energy: 0.7868822446495367
Energy: 1.0023964685346805
Energy: 0.9082174942032757
Energy: 0.8890349014121665
Energy: 0.9764929244805576
Energy: 0.8544676960494295
Energy: 0.9152166260982787
Energy: 0.8941718810619413
Energy: 0.8981289281487541
Energy: 0.8930440036743407
Energy: 0.8082378008184093
Energy: 0.9108903984668819
Energy: 1.1603981919013506
Energy: 0.8996907030199413
Energy: 0.9412718387711478
Energy: 0.94317925123898
Energy: 0.8600270268806772
Energy: 0.9089149675236782
Energy: 0.889601801935309
Energy: 0.895907277265
Energy: 1.0281745249453513
Energy: 0.9310079436353642
Energy: 0.9255912688372905
Energy: 0.8627169119350905
Energy: 0.8836906862301287
Energy: 0.9249346722727305
Energy: 0.9034975146331412
Energy: 0.8944860969849878
Energy: 0.9053525318837488
Energy: 0.883879209651606
Energy: 0.9070291933876292
Energy: 0.8707680003719915
Energy: 0.8724064975679073
Energy: 0.8750566367925635
Energy: 0.8868752501912037
Energy: 1.0129923532562983
Energy: 0.8669703612515406
Energy: 0.8714686888469905
Energy: 0.9358216430374701
Energy: 0.9729801392507946
Energy: 0.8653630662350751
Energy: 0.8637517865789811
Energy: 0.8592650881627324
Energy: 0.9571336158399266
Energy: 0.9233094914138121
Energy: 0.9017105917601584
Energy: 0.8728373252493972
Energy: 0.9873281059217894
Energy: 0.9118390314135285
Energy: 1.0227882936360022
Energy: 0.89477455700315
Energy: 1.0132518258045184
Energy: 0.9195247906187237
Energy: 0.7851523829814046
Energy: 0.8594744004518423
Energy: 0.8674664830074263
Energy: 0.9251547027515689
Energy: 1.0083181399219627

minimum gb energy = 0.7848163858386134 eV
minimum distance =  2.29027866780386 Angstroms
sigma value = 33


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

Energy: 1.303817933666187
Energy: 1.2849408655420183
Energy: 1.2931151399018963
Energy: 1.2823476212838267
Energy: 1.2696318742479307
Energy: 1.269686002357069
Energy: 1.2838343274772062
Energy: 1.2865911680045405
Energy: 1.292890369122474
Energy: 1.2838062695530923
Energy: 1.2819482509303461
Energy: 1.2896580847055832
Energy: 1.281338702359044
Energy: 1.2802645860537476
Energy: 1.2737911570816396
Energy: 1.3060277850156294
Energy: 1.282309492993812
Energy: 1.2753425084985284
Energy: 1.2979522870873152
Energy: 1.297435757138615
Energy: 1.281858373813907
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Energy: 1.3045928974090433
Energy: 1.2786052652080193
Energy: 1.2878936773145226
Energy: 1.2729289063982363
Energy: 1.2817024061884632
Energy: 1.301171510101455
Energy: 1.2964381686593915
Energy: 1.2777980244142606
Energy: 1.2839648001741257
Energy: 1.2959002877137897
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Energy: 1.2959785728085937
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Energy: 1.2763083952835568
Energy: 1.2991273643396082
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Energy: 1.301586237748455
Energy: 1.2918248939956292
Energy: 1.2969584829553302
Energy: 1.2909858092889062
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Energy: 1.2699143137108726
Energy: 1.301673802511925
Energy: 1.294550490115062
Energy: 1.2988345855427796
Energy: 1.283292729989587
Energy: 1.2917341412529901
Energy: 1.2886105661519136
Energy: 1.2963198523297996
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Energy: 1.2871671648439165
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Energy: 1.2988926417051136
Energy: 1.286709377744599
Energy: 1.2940368790467065
Energy: 1.2859504200415142
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Energy: 1.2873385895153675
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Energy: 1.2933696986490788
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Energy: 1.2932260836634526
Energy: 1.2924333761207265
Energy: 1.3003349231494186
Energy: 1.288738620007476
Energy: 1.2806165083788557
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Energy: 1.2841840065432426
Energy: 1.295354983832816
Energy: 1.2860067955263028
Energy: 1.2820784566445749
Energy: 1.2714268658302221
Energy: 1.2837033196592469
Energy: 1.2798624768542135
Energy: 1.2666990381014749
Energy: 1.2754263588877308
Energy: 1.2931005662962407
Energy: 1.2913648915536524
Energy: 1.2785827162156522
Energy: 1.295965474920785
Energy: 1.3009927941988912
Energy: 1.297748369662699
Energy: 1.282019933480835
Energy: 1.287893726232711
Energy: 1.2860580803432633
Energy: 1.2884900426189907
Energy: 1.2805605162111273
Energy: 1.2846146731025736
Energy: 1.2839390343946149
Energy: 1.2880611454369184
Energy: 1.2887872560448166
Energy: 1.282924418591097
Energy: 1.284971027314229
Energy: 1.280262830620241
Energy: 1.2739178878659128
Energy: 1.2691020431270805
Energy: 1.2928591317102156
Energy: 1.2695905345798664
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Energy: 1.2755655190621797
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Energy: 1.280713291326263
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Energy: 1.2802157584962757
Energy: 1.297637840713716
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Energy: 1.2737041639020428
Energy: 1.2679817007324614
Energy: 1.2895182644584866
Energy: 1.2961728718572951
Energy: 1.2881258712824073
Energy: 1.2767270344716286
Energy: 1.2841188301098958
Energy: 1.2896338070735123
Energy: 1.2949850987463605
Energy: 1.2902514340418976
Energy: 1.3336606158791477
Energy: 1.2820856452333103
Energy: 1.2776294976665838
Energy: 1.2873192911321865
Energy: 1.2877634026729163
Energy: 1.271121850732391
Energy: 1.2899260536913806
Energy: 1.3036289564309433
Energy: 1.287639862093589
Energy: 1.285990661308548
Energy: 1.278936493681277
Energy: 1.273019330629914
Energy: 1.278751394629395
Energy: 1.283604434743417
Energy: 1.2813449664006087
Energy: 1.2723896015118419
Energy: 1.291362501775296
Energy: 1.2839007493806525
Energy: 1.2759123098862628
Energy: 1.2811588736045783
Energy: 1.2805556774940987
Energy: 1.2829846885345788
Energy: 1.2861499906192189
Energy: 1.2780713883929369
Energy: 1.290340326822417
Energy: 1.2798487360513977
Energy: 1.2783687424263095
Energy: 1.2811909299799122
Energy: 1.2834231332651638
Energy: 1.2794469750486508
Energy: 1.2828661698580186
Energy: 1.283944991345184
Energy: 1.283823240927179
Energy: 1.2833402818190205
Energy: 1.2722094160604023
Energy: 1.2832102267792382
Energy: 1.2936961988148767
Energy: 1.2784216032984042
Energy: 1.27391761907497
Energy: 1.325010276167661
Energy: 1.2838054150335632
Energy: 1.2810022558205945
Energy: 1.2922994197796112
Energy: 1.2817016355040762

minimum gb energy = 1.2609396521769654 eV
minimum distance =  2.29639549947967 Angstroms
sigma value = 219


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

Energy: 1.7137261222127533
Energy: 1.7524583902558886
Energy: 1.7552828877692528
Energy: 1.7347777015934092
Energy: 1.71725561523149
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Energy: 1.7291635863756074
Energy: 1.7635483846571587
Energy: 1.764188962045728
Energy: 1.7280855670505053
Energy: 1.7242467431643846
Energy: 1.7592794706907957
Energy: 1.7445140754601431
Energy: 1.7412737869707349
Energy: 1.7302497929039413
Energy: 1.7242859704562266
Energy: 1.7574457455684787
Energy: 1.7435915044801447
Energy: 1.767669929965072
Energy: 1.7727190545279206
Energy: 1.7289704755429562
Energy: 1.7385443010609658
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Energy: 1.741147073553328
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Energy: 1.7307294133690472
Energy: 1.7381185652404332
Energy: 1.748913086968877
Energy: 1.7390880524313301
Energy: 1.7357713430704071
Energy: 1.7251211398919573
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Energy: 1.7193083342903948
Energy: 1.7245990473062487
Energy: 1.7391973224896615
Energy: 1.7397674434654222
Energy: 1.752909351496053
Energy: 1.7420229910163043
Energy: 1.729358217395362
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Energy: 1.7502225783447047
Energy: 1.7430312023620642
Energy: 1.7283283491297277
Energy: 1.7644052935136523
Energy: 1.764333529192311
Energy: 1.716050355648917
Energy: 1.724002728047092
Energy: 1.7633483890572623
Energy: 1.8019598828208268
Energy: 1.7284956515507743
Energy: 1.7176760840234722
Energy: 1.7257512935259052
Energy: 1.7638599831376833
Energy: 1.7591318802557667
Energy: 1.7325482341891965
Energy: 1.764065517221754
Energy: 1.7217706949190532
Energy: 1.7294132600386685
Energy: 1.737443515606222
Energy: 1.7438060899890906
Energy: 1.7564083883385981
Energy: 1.7164777708877819
Energy: 1.727981817622883
Energy: 1.7408373780081474
Energy: 1.7471832997881809
Energy: 1.7455203825848464
Energy: 1.7416976488903464
Energy: 1.7301319292053856
Energy: 1.728475708013454
Energy: 1.740319103598501
Energy: 1.7450302276644025
Energy: 1.754730597516021
Energy: 1.7313020553238168
Energy: 1.7302107450335045
Energy: 1.7393902695694767

minimum gb energy = 1.7137261222127533 eV
minimum distance =  2.33106984792642 Angstroms
sigma value = 15


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

Energy: 1.9648236438919022
Energy: 1.9518667437253994
Energy: 2.0403809239954604
Energy: 1.9569291881824393
Energy: 1.9983831663145237
Energy: 1.9456473460778967
Energy: 1.9655538283822562
Energy: 1.990188191763502
Energy: 1.9664669946817614
Energy: 1.9925092559855733
Energy: 1.950042353183714
Energy: 1.968141566764153
Energy: 1.9674252438446294
Energy: 1.9669080313426097
Energy: 1.969339771065696
Energy: 1.9661953629006246
Energy: 1.9578642444720602
Energy: 1.956898130687821
Energy: 1.9547428870136292
Energy: 1.9703512879576794
Energy: 1.9830846282601418
Energy: 1.9706930352281087
Energy: 1.9670316505509349
Energy: 1.9729485125100035
Energy: 2.000887068830985
Energy: 2.0236210443836256
Energy: 1.9542440448801655
Energy: 1.9653750408400905
Energy: 1.957042583375482
Energy: 2.0010505459238774
Energy: 1.9891566325126453
Energy: 2.0491214067030814
Energy: 1.9647283743971606
Energy: 2.0273685414332503
Energy: 1.9445495146339415
Energy: 1.9732447676762812
Energy: 2.0143205283666004
Energy: 1.9702361543973057
Energy: 2.0006949501773814
Energy: 1.9939542629837286
Energy: 2.019047061535409
Energy: 1.959002624595528
Energy: 1.9655938399043391
Energy: 1.9661921914346305
Energy: 1.9602674794224464
Energy: 2.0181191951224524
Energy: 1.9466602851288064
Energy: 1.949583194385247
Energy: 1.9675648965678638
Energy: 1.9631571606524898
Energy: 1.966780516172195
Energy: 2.015391286356398
Energy: 1.968432467446056
Energy: 1.980494206638375
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minimum gb energy = 1.9332382366910155 eV
minimum distance =  2.29476232417335 Angstroms
sigma value = 293


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

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Energy: 1.9358180712131399
Energy: 2.027385668401839
Energy: 1.923657405413195
Energy: 1.9660059113160748
Energy: 2.0248680082573287
Energy: 1.9304053938324195
Energy: 2.021681035422882
Energy: 1.925729024381116
Energy: 1.966982813918954
Energy: 2.026014990754005
Energy: 1.9301648655150758
Energy: 1.9325068766951388
Energy: 1.9321273011571578
Energy: 1.9315053122855743
Energy: 1.932506867687062
Energy: 1.9849045080237944
Energy: 1.9312953541735276
Energy: 1.931248258645854
Energy: 1.9306334562776657
Energy: 1.9342627250165532
Energy: 1.9833166588199123
Energy: 1.9307934015350112
Energy: 1.9885432382864032
Energy: 1.9325557988766917
Energy: 1.9316525186583884
Energy: 2.0618013474076684
Energy: 2.0522457346882055
Energy: 1.9910834447439123
Energy: 1.9366693636102124
Energy: 1.9310924117845139
Energy: 1.9420551327877684
Energy: 1.9934575312836647
Energy: 1.9855418759934427
Energy: 1.9253442706004524
Energy: 1.9262153195493723
Energy: 1.9514723779720875
Energy: 1.9923323835055318
Energy: 1.986241843564572
Energy: 1.925887486857535
Energy: 1.9256736817149414
Energy: 1.991643285725334
Energy: 1.9957302671839001
Energy: 2.0181126875125197
Energy: 1.9271431930156289
Energy: 2.0174643352153754
Energy: 2.028368058551196
Energy: 1.9302178622229749
Energy: 2.018800890940084
Energy: 1.9262147642133007
Energy: 1.9304458137354474
Energy: 2.027769302211407
Energy: 1.9299766198497346
Energy: 1.9320483068363115
Energy: 1.9997490210874524
Energy: 1.9316545605372493
Energy: 1.9803733017661578
Energy: 1.9309611775378777
Energy: 1.9332916241959608
Energy: 1.9304600942559886
Energy: 1.9316836521102785
Energy: 1.9798869993575476
Energy: 1.930471267283675
Energy: 1.9270592526826948
Energy: 1.92896794705835
Energy: 1.9750269221812842
Energy: 1.930416253528703
Energy: 1.971282752546573
Energy: 1.9314095817607595
Energy: 1.9280613186479636
Energy: 1.9734813026125912
Energy: 1.9339333886588777
Energy: 1.9716556704076715
Energy: 1.9310630655118213
Energy: 1.9317278009519538
Energy: 2.027877567872657
Energy: 2.024358792136192
Energy: 1.9238256680709929
Energy: 1.9296930706111621
Energy: 1.935465090836305
Energy: 2.0291315396738594
Energy: 2.0247859868682556
Energy: 1.9322726142501165
Energy: 1.9980167401913211
Energy: 1.9328505493118369
Energy: 2.02747816201965
Energy: 1.99503018665878
Energy: 2.0742161873265283
Energy: 1.996563760175317
Energy: 1.9346172283387368
Energy: 1.9337675869156237
Energy: 1.9942909091578938
Energy: 1.9826809869317787
Energy: 1.9349333806169573
Energy: 1.9311172554290612
Energy: 2.0950391440480667
Energy: 1.9224580186651967
Energy: 1.9323311138390715
Energy: 1.9319920119438942
Energy: 1.9307623473092128
Energy: 1.9230263411991164
Energy: 1.9237416543233443
Energy: 1.9320910283387445
Energy: 1.9346795709195574
Energy: 1.9319798959471512
Energy: 1.92233999035595
Energy: 1.920829125361984
Energy: 1.9836512676572915
Energy: 1.9333822208230869
Energy: 1.934590668362809
Energy: 1.9223318984249271
Energy: 1.9208653709229682
Energy: 1.986167807430576
Energy: 1.933783297925549
Energy: 1.9926459229574236
Energy: 1.9338920070722656
Energy: 2.0194656543421217
Energy: 1.9296486537052027
Energy: 1.9317994133023535
Energy: 1.99154056948009
Energy: 1.9990755093185633
Energy: 1.9363239227529574
Energy: 1.9293712225717567
Energy: 2.027457485732863
Energy: 1.9816509653842391
Energy: 1.9293653350491975
Energy: 2.0207090257409206
Energy: 1.9319488562109661
Energy: 2.028023690095634
Energy: 1.980288887096165
Energy: 1.9280508706214818
Energy: 2.019941601372369
Energy: 1.9314516697417201
Energy: 1.926603600140002
Energy: 1.930111243438827
Energy: 1.9857623836131892
Energy: 1.9835333904485861
Energy: 1.9286172050506698
Energy: 1.9896920945142453
Energy: 1.9294686078256138
Energy: 2.0588811550660777
Energy: 1.9830098406040897
Energy: 1.9280962932040748
Energy: 2.071052197899407
Energy: 1.9311130431535954
Energy: 1.932664502837947
Energy: 1.9937133063803198
Energy: 1.9253520982620524
Energy: 2.025285106388656
Energy: 1.9303575875543963
Energy: 1.9345045859139414
Energy: 1.9908170859392949
Energy: 1.926174393287363
Energy: 1.9312125449541693
Energy: 1.9795607774588844
Energy: 1.9308048232441393
Energy: 1.9358054607453705
Energy: 1.9296543869824576
Energy: 1.9324363727830338
Energy: 1.9799838283429474
Energy: 1.9310876660225038
Energy: 1.9315423093645994
Energy: 1.9310184696229713
Energy: 1.971339196775154
Energy: 2.025593133606341
Energy: 1.9756583078294427
Energy: 1.927534708142903
Energy: 1.9314359938209582
Energy: 1.9707736488967125
Energy: 1.9957942451243003
Energy: 1.972782056285775
Energy: 1.929104063846619
Energy: 1.9315941955883966
Energy: 1.9319688758215852
Energy: 2.0249634058895754
Energy: 2.029948182877063
Energy: 2.0255988066621398
Energy: 2.028506693747873
Energy: 1.9240354694534678
Energy: 2.0242663580673628
Energy: 2.0294200191059617
Energy: 2.0052831096846626
Energy: 2.027787730683631
Energy: 1.9323543337673597
Energy: 2.0273261769252744
Energy: 1.9894818697607441
Energy: 1.930482237391054
Energy: 2.028565228488371
Energy: 1.930811138714855
Energy: 2.0307290640649795
Energy: 2.052030639328895
Energy: 1.930702342911798
Energy: 2.028667185581101
Energy: 1.921804062869999
Energy: 1.9712627656362711
Energy: 1.9312029296789783
Energy: 1.9846910993742253
Energy: 2.027386154032217
Energy: 2.068691637193752
Energy: 1.9333408464586574
Energy: 1.9318441029576705
Energy: 1.9853141937491694
Energy: 2.0969102171715837

minimum gb energy = 1.920829125361984 eV
minimum distance =  2.31324676256119 Angstroms
sigma value = 293


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

Energy: 1.9330327939692795
Energy: 1.9173571335824995
Energy: 2.057824068165015
Energy: 1.9399474741841503
Energy: 1.9176732827789003
Energy: 1.9333945873135183
Energy: 1.9388964757624638
Energy: 2.058986928977841
Energy: 1.9390817295588139
Energy: 1.9184383312583366
Energy: 1.92967165112643
Energy: 1.9375854032365614
Energy: 1.9357213761988044
Energy: 1.9363282031745859
Energy: 1.9366098929635762
Energy: 2.0690169645670067
Energy: 1.938283839670641
Energy: 1.919585633120159
Energy: 1.9377794307004155
Energy: 1.9358184281107957
Energy: 1.939366136012015
Energy: 1.937922174086127
Energy: 1.9387559584267988
Energy: 1.9407021523131425
Energy: 2.0668839920978836
Energy: 1.9374145934555782
Energy: 1.937057655296764
Energy: 1.9391763699981739
Energy: 2.061203468536749
Energy: 2.066423913154247
Energy: 2.0606080309956263
Energy: 1.9322605760252642
Energy: 1.9206108684150693
Energy: 1.9360114769467311
Energy: 2.065084119431626
Energy: 2.05932768681189
Energy: 1.9340702016377112
Energy: 1.918827775508616
Energy: 1.9372112201299894
Energy: 1.924123507000671
Energy: 1.9383696927823257
Energy: 1.9196673298636284
Energy: 1.9344196799358966
Energy: 1.9402965242419898
Energy: 1.9381242999477997
Energy: 1.9372251376461913
Energy: 1.920479669995424
Energy: 1.9320691365056983
Energy: 1.9387893016530853
Energy: 1.9368056164260365
Energy: 1.9382366471996766
Energy: 2.0596602109495383
Energy: 1.9370706514908456
Energy: 1.9399565287748888
Energy: 1.9188897806936618
Energy: 1.939456657982917
Energy: 2.058131509616901
Energy: 1.9387809909907234
Energy: 1.938829990252422
Energy: 1.9180941040860375
Energy: 2.058929136734304
Energy: 1.9248786830527045
Energy: 1.9364117165633798
Energy: 1.9372977193990109
Energy: 1.938951859172505
Energy: 2.059243859026303
Energy: 1.9259998697143998
Energy: 1.935883664145636
Energy: 1.9372346621228929
Energy: 1.93803232972441
Energy: 1.9377700121349921
Energy: 2.0717444831108516
Energy: 1.9401384514064466
Energy: 1.933252283300501
Energy: 1.9185666228675233
Energy: 1.9385361721236043
Energy: 2.0739582364538562
Energy: 1.9397494169076153
Energy: 1.9332403219433394
Energy: 1.9181517993108101
Energy: 1.9374279637717413
Energy: 1.920578942251583
Energy: 1.93571318110738
Energy: 1.9228784807015338
Energy: 2.0665922707574906
Energy: 1.9362940685147934
Energy: 1.9364080184838333
Energy: 1.9354881326501967
Energy: 1.9255754877503264
Energy: 2.0652053284054044
Energy: 1.938482353807149
Energy: 1.9392631116622912
Energy: 2.0736951238373997
Energy: 2.0591626216517156
Energy: 1.941696386331952
Energy: 1.937467802065621
Energy: 1.9377993239425357
Energy: 2.0716304847447033
Energy: 2.0681210211245635
Energy: 1.9386074316230664
Energy: 1.9297753656038268
Energy: 1.9368014729768668
Energy: 1.942994697397423
Energy: 2.0599041498073167
Energy: 2.0670965818313505
Energy: 1.926233085583031
Energy: 1.936535694023631
Energy: 1.926055727902446
Energy: 2.059935612084954
Energy: 2.0647214934260285
Energy: 1.933419018327403
Energy: 1.940068609226726
Energy: 2.060180570507985
Energy: 1.9393196153572752
Energy: 1.9175522446262099
Energy: 1.9341462160008593
Energy: 1.939235511059049
Energy: 1.9408886831025816
Energy: 1.9393386560478523
Energy: 1.9181713697284863
Energy: 2.06623508928464
Energy: 1.9374123580158036
Energy: 1.9356916465534963
Energy: 1.9365804471321866
Energy: 1.9364589221290414
Energy: 2.0682659811889756
Energy: 1.938391566705177
Energy: 1.9200439468868165
Energy: 1.9373259208440121
Energy: 1.9352961679101635
Energy: 1.939973097265928
Energy: 1.9385329036367522
Energy: 1.9379539224363505
Energy: 1.940767847786512
Energy: 2.066554945776503
Energy: 1.9379324750412483
Energy: 1.9373600993915445
Energy: 1.939683785792471
Energy: 2.0593823021796998
Energy: 2.066057740758533
Energy: 2.061348333867207
Energy: 1.9316109315670644
Energy: 1.9209265174777181
Energy: 1.9361598497748738
Energy: 2.0651567353227
Energy: 2.059528291658115
Energy: 1.9342703712438176
Energy: 1.919040699983954
Energy: 1.9368850909537567
Energy: 2.06569599352259
Energy: 1.9388215447038495
Energy: 1.9185330361506507
Energy: 1.9334133092623107
Energy: 1.9406448996535413
Energy: 1.9382717153573055
Energy: 1.9373827179110632
Energy: 1.9194982825041516
Energy: 1.932865353949078
Energy: 1.9387919776706428
Energy: 1.937118711442377
Energy: 1.9381240941643278
Energy: 2.0597233895694242
Energy: 1.937206559109666
Energy: 1.9393880228732743
Energy: 1.9187455311236115
Energy: 1.9392276792636425
Energy: 2.0583575449635214
Energy: 1.9379665187088608
Energy: 1.939115145743891
Energy: 1.9177346509929096
Energy: 2.0591467508078853
Energy: 1.9245971133804574
Energy: 1.9365349315336449
Energy: 1.9370207773827186
Energy: 1.9391195532026195
Energy: 2.059354329975376
Energy: 1.9256789273444306
Energy: 1.9360074685580344
Energy: 1.9372528189455673
Energy: 1.938698548959788
Energy: 1.9374218281029618
Energy: 2.071812244085942
Energy: 1.9403156733064717
Energy: 1.9332847516718625
Energy: 1.918896942988169
Energy: 1.9379770369952791
Energy: 2.0742948578664087
Energy: 1.9405908715917455
Energy: 1.9332458169415052
Energy: 1.918845923976841
Energy: 1.9376328028590328
Energy: 1.9201272031504661
Energy: 1.935815916885495
Energy: 1.922238184288819
Energy: 2.066741484058517
Energy: 1.9365521994023818
Energy: 1.9361229688416743
Energy: 1.9358029935185883
Energy: 1.925131480715802
Energy: 1.9385524284011513
Energy: 1.9388123105967279
Energy: 1.9396165337425857
Energy: 2.0737033197018113
Energy: 2.0593586924859637
Energy: 1.9400691385357347
Energy: 1.9376570745907902
Energy: 1.9375941599382251
Energy: 2.0689042700408486
Energy: 1.9380897217176223
Energy: 1.9371048943134754
Energy: 1.930248154340125
Energy: 1.9368813391310213
Energy: 1.9430140644853076
Energy: 2.0607076040517236
Energy: 2.0661128958572132
Energy: 1.9267538072809773
Energy: 1.936823626057824
Energy: 1.9265157380117404
Energy: 2.059623593339144
Energy: 2.0682422689929383

minimum gb energy = 1.9173571335824995 eV
minimum distance =  2.31830003116907 Angstroms
sigma value = 15


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

Energy: 1.8617455809995118
Energy: 1.9942701196293506
Energy: 2.0426153993762615
Energy: 2.030289206924931
Energy: 1.9845039315995958
Energy: 1.8679247468873632
Energy: 1.9958132475293142
Energy: 2.079552536213035
Energy: 2.025709533706173
Energy: 1.8688170656989427
Energy: 1.8507618616960275
Energy: 2.020732327744924
Energy: 1.9027380423672644
Energy: 1.9971840773617382
Energy: 1.961547358041432
Energy: 1.8617541686568502
Energy: 2.02015272692979
Energy: 1.9025758864052078
Energy: 1.9567978521641716
Energy: 1.9379251342768773
Energy: 2.055335124800978
Energy: 1.9335381285670779
Energy: 1.8700036468222514
Energy: 1.9974484205407403
Energy: 1.9647544750156718
Energy: 2.046049255887754
Energy: 1.948034791884368
Energy: 1.8710326206154235
Energy: 1.956992283048045
Energy: 1.8705411418485485
Energy: 1.876737378156695
Energy: 1.8689319045913453
Energy: 1.999208138543185
Energy: 2.0465151923513027
Energy: 1.8592425918185642
Energy: 1.8630077533861253
Energy: 1.8690592686800318
Energy: 1.9789214888937254
Energy: 2.057855869176969
Energy: 1.9755207050481045
Energy: 1.938293148120025
Energy: 2.0080721183527284
Energy: 1.8681974657466964
Energy: 1.8718775554127336
Energy: 1.985456981314208
Energy: 1.9167578229835
Energy: 2.0088692359606406
Energy: 1.911920894322099
Energy: 1.8697452236831247
Energy: 2.042509564559869
Energy: 1.8515462282867743
Energy: 1.8697086184849558
Energy: 1.8705984809848457
Energy: 2.0717501699232366
Energy: 1.8515550497321498
Energy: 1.875544836343104
Energy: 1.8706564151098963
Energy: 1.8697278146431089
Energy: 2.0708481106881633
Energy: 1.957988778524714
Energy: 1.8699312196641922
Energy: 1.8695430114775833
Energy: 1.8722925984815475
Energy: 1.8965073230586886
Energy: 2.0826566022651236
Energy: 1.8710258688753227
Energy: 1.8707213593731158
Energy: 1.873303658065757
Energy: 1.9510742918724628
Energy: 2.082181538235561
Energy: 1.900344331421839
Energy: 1.8684662436559178
Energy: 1.8801254938415988
Energy: 1.8685589543545988
Energy: 2.0545828289372876
Energy: 1.8697780102461448
Energy: 1.868935928508451
Energy: 1.950001865828238
Energy: 1.8674091399304085
Energy: 2.0169433287562604
Energy: 1.8824232105406842
Energy: 1.8491490948914007
Energy: 2.0028046231215013
Energy: 1.8721569244872538
Energy: 1.8706293484231016
Energy: 1.896325404754593
Energy: 1.852932910528344
Energy: 1.9712674642576506
Energy: 1.8695470758069692
Energy: 1.87189842631707
Energy: 1.9446380828837944
Energy: 1.9655151409074727
Energy: 1.8927466766252414
Energy: 1.8438312952622626
Energy: 1.8366637959101844
Energy: 1.9785250116034203
Energy: 1.9500429940114283
Energy: 1.8883162719899258
Energy: 1.8433952891931449
Energy: 1.867963035912324
Energy: 1.9969148822559544
Energy: 1.965980282446115
Energy: 1.8930378240050505
Energy: 1.8443351624750084
Energy: 1.8423486544341077
Energy: 1.9787530264829527
Energy: 1.8829508722911459
Energy: 1.8905428307837182
Energy: 1.8446143671241437
Energy: 1.840180168519076
Energy: 1.9290287829810344
Energy: 1.9453135436828488
Energy: 2.0198686606714307
Energy: 1.8723987903378552
Energy: 2.0041615563996444
Energy: 1.8850324094389619
Energy: 1.9433404230915334
Energy: 1.8452381462613148
Energy: 1.8808420495175016
Energy: 2.0085552035481045
Energy: 2.041667756145536
Energy: 1.8419274444688063
Energy: 1.8746118307445212
Energy: 2.0260372468949246
Energy: 1.9719624561380307
Energy: 2.034493737800601
Energy: 1.8451426033514695
Energy: 1.8741788737803087
Energy: 2.0367031073979933
Energy: 2.0153973779202046
Energy: 1.864349386804745
Energy: 1.900601925807025
Energy: 2.0709439278724306
Energy: 1.941593023010192
Energy: 1.9452112134038484
Energy: 1.8646267554384668
Energy: 1.8997097786141302
Energy: 1.9771136579523272
Energy: 1.9448984484409115
Energy: 1.9099504919636248
Energy: 1.868401392476131
Energy: 1.845912807001047
Energy: 1.8408771498355634
Energy: 2.0501342095728554
Energy: 1.9020710770137026
Energy: 1.865932900166669
Energy: 1.8450966063622738
Energy: 1.840271940713807
Energy: 1.923817924853537
Energy: 1.8767320083572099
Energy: 2.121824753549685
Energy: 2.0672826208736796
Energy: 1.844518225640282
Energy: 1.8442564083768591
Energy: 1.8695526129652347
Energy: 2.118412571984115
Energy: 2.067604571178683
Energy: 1.8448657421669292
Energy: 1.9420294090722228
Energy: 1.8721009502913595
Energy: 1.8431918040722488
Energy: 1.9150988944082148
Energy: 2.034709653864048
Energy: 2.09266786575787
Energy: 1.8685755780269029
Energy: 1.8434547546751698
Energy: 1.9146857309301748
Energy: 1.8921270695369117
Energy: 2.0902265355293856
Energy: 1.8666663092574334
Energy: 2.1125936061091055
Energy: 2.0907096891515375
Energy: 1.8556027905749004
Energy: 1.899463521516308
Energy: 1.873383697342169
Energy: 2.1155088350450053
Energy: 2.091265885299959
Energy: 1.8534211052400138
Energy: 1.8986211046152046
Energy: 1.8736357131029802
Energy: 1.8668699691904982
Energy: 1.9002659489875176
Energy: 1.8953582064873022
Energy: 1.8683800604383498
Energy: 1.8732378768600544
Energy: 1.8666370607920872
Energy: 1.937539882382568
Energy: 1.881754730682078
Energy: 1.867089287465016
Energy: 1.873151653220836
Energy: 1.9181232001939141
Energy: 1.8717358969141642
Energy: 2.0464818523308543
Energy: 1.870987414676454
Energy: 1.873783642773439
Energy: 1.8717620988067432
Energy: 1.872675911492652
Energy: 1.9652981292934932
Energy: 1.8685712850464518
Energy: 1.8740753537822956
Energy: 2.0173609180087513
Energy: 1.9017116463638966
Energy: 1.8744462516151754
Energy: 1.9499887435221004
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Energy: 2.0181386044778424
Energy: 1.8684394065488437
Energy: 1.873289110512174
Energy: 1.8474914524715853
Energy: 1.9668975030804179
Energy: 1.8593839548896958
Energy: 1.8555645374050096
Energy: 1.9580639449164958
Energy: 1.8875724947370407
Energy: 1.960373359110494
Energy: 1.8597870922820552
Energy: 1.858494104139206
Energy: 2.0038376182282045
Energy: 1.8518913146788403
Energy: 1.9670157196714806
Energy: 1.8950496276089885
Energy: 1.8943159446923172
Energy: 1.8909081733140025
Energy: 1.8672664781050037
Energy: 1.887418859091336
Energy: 1.8955911977446054
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Energy: 1.9399043928908934
Energy: 1.9187169583391044
Energy: 1.853795431812115
Energy: 1.8598122544479267
Energy: 1.944462488956247
Energy: 1.8608358815886685
Energy: 1.9050106218243323
Energy: 2.079111774214522
Energy: 1.8602600459098293
Energy: 1.868438942130998
Energy: 1.8480311801071994
Energy: 2.0015280322353153
Energy: 1.9642863923685916
Energy: 1.9374514003463326
Energy: 1.995405705414197
Energy: 2.026464245868755
Energy: 1.9356988220258737
Energy: 1.8458038200133469
Energy: 1.9620361340357468
Energy: 1.951308374005506
Energy: 2.0320909761239783
Energy: 1.947591108569114
Energy: 1.8709481890230368
Energy: 1.9210474046593031
Energy: 1.9425919856368867
Energy: 1.8693244573383985
Energy: 1.9191378446257534
Energy: 2.0843247054693492
Energy: 1.950389774820164
Energy: 1.9423466954155508
Energy: 1.8677181048890006
Energy: 1.9201942835198271
Energy: 2.0844127116478663
Energy: 1.862706950466788
Energy: 1.9243816593579903
Energy: 1.8704146621052415
Energy: 1.9849668812973162
Energy: 1.9614079813993506
Energy: 1.8595710553730638
Energy: 1.9022169697738682
Energy: 1.8713195453449751
Energy: 1.9468455068868964
Energy: 1.8549215688466212
Energy: 1.8651668838008637
Energy: 2.073743999978599
Energy: 2.1687978503209426
Energy: 2.041294293693491
Energy: 1.8557179143548588
Energy: 1.8628606165514314
Energy: 2.037602599884134
Energy: 2.0317365074737856
Energy: 2.0409548681394916
Energy: 1.8548895981764664
Energy: 1.906076262687682
Energy: 2.0071306640188724
Energy: 1.8690161549783737
Energy: 1.8716420490667434
Energy: 2.097134470065717
Energy: 1.9440199676282248
Energy: 1.9666611803454228
Energy: 1.8700931669465302
Energy: 1.8706183118774637
Energy: 2.053225092117994
Energy: 2.0734920155186476
Energy: 1.8705140602504597
Energy: 1.87151781829984
Energy: 2.0573462599633676
Energy: 1.8788560498035534
Energy: 1.863204831112855
Energy: 1.8703436032225005
Energy: 1.8717154378139613
Energy: 2.0568373585380257
Energy: 1.8924968774634434
Energy: 1.8708610532398875
Energy: 1.869806041443644
Energy: 1.8717337198795465
Energy: 1.928891945453429
Energy: 2.09291363943067
Energy: 1.871646705560624
Energy: 1.8706189606293802
Energy: 1.8716023745548633
Energy: 1.9529754591841755
Energy: 1.9974352114826988
Energy: 1.8700314663323458
Energy: 1.8700943145084967
Energy: 1.8707393401452481
Energy: 1.8680799047443655
Energy: 2.005885616803662
Energy: 1.8700960721074622
Energy: 1.871032791909657
Energy: 1.8714668753013006
Energy: 1.8673275598852959
Energy: 2.0144802108251216
Energy: 1.8953009037577653
Energy: 1.9774654405195342
Energy: 2.0249569219021186
Energy: 1.9157379912424897
Energy: 1.9544020879519584
Energy: 1.9695057448300914
Energy: 1.9844653617495942
Energy: 2.0154107945245134
Energy: 1.8710998711448843
Energy: 1.9800651720012277
Energy: 1.9779476350014502
Energy: 1.8479294587103035
Energy: 1.845238743516045
Energy: 1.8763744898749204
Energy: 1.838427870513372
Energy: 1.9779062340629954
Energy: 1.849193559438833
Energy: 1.9380530898219388
Energy: 1.8760283808562765
Energy: 1.8386740295031136
Energy: 1.9904147334376514
Energy: 1.9227099055593708
Energy: 1.9268849799170662
Energy: 1.8904651321602712
Energy: 1.8406691585749844
Energy: 1.9799732062756807
Energy: 1.8627513031125937
Energy: 1.9225898752426944
Energy: 1.914800564757192
Energy: 1.8407000443448864
Energy: 1.8834945335709528
Energy: 1.970480938447239
Energy: 1.889266062302027
Energy: 1.8731302316971439
Energy: 1.915138510588205
Energy: 1.8457364350699987
Energy: 1.9721360356891369
Energy: 1.8450528780574083
Energy: 1.8729794923021168
Energy: 1.909839679893986
Energy: 1.9974273079452802
Energy: 1.8645500025561188
Energy: 1.8704150464083873
Energy: 1.9699467439815537
Energy: 1.9409274449500127
Energy: 2.006737925906659
Energy: 1.8634579817299137
Energy: 1.867672463611916
Energy: 1.9730354994830661
Energy: 1.9398228598211236
Energy: 1.8634576555717863
Energy: 1.8782783608058928
Energy: 2.0356621219511215
Energy: 1.9099054767316943
Energy: 1.9112131950137277
Energy: 1.8642503127982848
Energy: 1.898296903863859
Energy: 1.9312265962819999
Energy: 1.9441883269383395
Energy: 1.914883562284427
Energy: 1.8673517803752129
Energy: 1.8457105070849495
Energy: 1.8417964848662123
Energy: 1.9065601093778934
Energy: 1.8768460471781434
Energy: 1.868037500711572
Energy: 1.8457033169875672
Energy: 1.8382120799252641
Energy: 1.8930775895440337
Energy: 1.87761132607368
Energy: 2.1663689177363707
Energy: 2.1014634166780057
Energy: 1.8470907125141867
Energy: 2.103369485084085
Energy: 1.872483083598048
Energy: 1.8667042426914575
Energy: 2.064637275050274
Energy: 1.8449411104433509
Energy: 2.1045115049448264
Energy: 1.8430565627994222
Energy: 1.8434289790423195
Energy: 2.1035036927584185
Energy: 2.077372028800765
Energy: 1.8765297499377371
Energy: 1.86794263147009
Energy: 1.8435944934895079
Energy: 2.080544758270897
Energy: 1.981706694535443
Energy: 1.8765963166070319
Energy: 1.8674560293743483
Energy: 2.0938838332368697
Energy: 2.0742248829557863
Energy: 2.0761131407132973
Energy: 1.8507928989827238
Energy: 1.8723207273657587
Energy: 2.1077131490030356
Energy: 2.0752296394000855
Energy: 2.074791573742318
Energy: 1.8953966676918597
Energy: 1.8721339656066578
Energy: 1.8670660030575312
Energy: 1.868882888022157
Energy: 1.925063029577676
Energy: 1.8675162456916339
Energy: 1.8753108127333036
Energy: 1.8678665807625554
Energy: 1.9020026524975215
Energy: 1.8730208836757485
Energy: 1.8662810089273973
Energy: 1.874819103519825
Energy: 1.9344448265018546
Energy: 1.8728991975455536
Energy: 1.9676600221218705
Energy: 1.8701577909386733
Energy: 1.873312162217226
Energy: 1.9353626233392327
Energy: 1.875032300535988
Energy: 1.9725310066200927
Energy: 1.8673033048975167
Energy: 1.8738028220047793
Energy: 2.040004427955652
Energy: 1.867823043898032
Energy: 1.8610815331146005
Energy: 1.9730453793940907
Energy: 1.9206102984918867
Energy: 2.0008530553580894
Energy: 1.8684263244116006
Energy: 1.8732027349079434
Energy: 2.0264367925236604
Energy: 1.9807293866397904
Energy: 1.8727191144621673
Energy: 1.872072843136407
Energy: 2.0143737433812174
Energy: 1.852854023434103
Energy: 1.8685690391792436
Energy: 1.8625888001806592
Energy: 1.8628109879326897
Energy: 2.0076730442913284
Energy: 1.8513302965019591
Energy: 1.8681464945724175
Energy: 1.8740236773528192
Energy: 1.872779669659039
Energy: 1.873503766844646
Energy: 1.8664970386087942
Energy: 1.8585560080276435
Energy: 1.8891945550715905
Energy: 1.8920762696409044
Energy: 1.954403709427601
Energy: 1.8653384572801344
Energy: 1.870341191504854
Energy: 1.872805978512069
Energy: 1.8584258807927314
Energy: 1.8476712118636165
Energy: 2.1527131679378577
Energy: 2.0250893054916435
Energy: 1.8616395233033742
Energy: 1.9824534353310346
Energy: 1.8457923437898827
Energy: 1.9954035870986928
Energy: 2.0056418277010475
Energy: 2.0704956958120824
Energy: 1.9670544434190205
Energy: 1.923138145568268
Energy: 1.9466768627073359
Energy: 1.8476545851468893
Energy: 1.9388726762902901
Energy: 1.9896805228324763
Energy: 1.8688164158919383
Energy: 1.9780455012991836
Energy: 1.8488157249794626

minimum gb energy = 1.8366637959101844 eV
minimum distance =  2.26517240632061 Angstroms
sigma value = 437


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

Energy: 1.873811869191198
Energy: 1.665184830899127
Energy: 1.7328605632027665
Energy: 1.870670721475413
Energy: 1.6672888663249095
Energy: 1.84333110001097
Energy: 1.7774943446669047
Energy: 1.734228748212352
Energy: 1.8697802416382194
Energy: 1.8433159185772687
Energy: 1.65716976822099
Energy: 1.9345645016704862
Energy: 1.6609030726613339
Energy: 2.0262672184671344
Energy: 1.6668795428423309
Energy: 1.6644499344665997
Energy: 1.936034990656926
Energy: 1.6626077174735987
Energy: 1.9337111500983322
Energy: 1.6664439718523647
Energy: 1.8492672070964207
Energy: 1.6674259502926825
Energy: 1.756138368654782
Energy: 1.7335965978597185
Energy: 1.666400601355635
Energy: 1.8496423898499936
Energy: 1.6674441629988626
Energy: 1.7579095111771506
Energy: 1.7330865995339146
Energy: 1.665834191293514
Energy: 1.734939881970424
Energy: 1.6915084564498104
Energy: 1.928465775054847
Energy: 1.8470789443115518
Energy: 1.6638452119628124
Energy: 1.7354568744868921
Energy: 1.7315390719233783
Energy: 1.9277389262704414
Energy: 1.846803710149348
Energy: 1.7528855026773804
Energy: 1.8334375579617026
Energy: 1.7754725241620497
Energy: 1.683822067656976
Energy: 1.6897475571843592
Energy: 1.8474410486036044
Energy: 1.6900707276222093
Energy: 1.7756559596947914
Energy: 1.685143540597194
Energy: 1.6874544048804192
Energy: 1.845982337199424
Energy: 1.6628038113342507
Energy: 1.744686994303315
Energy: 1.755746712153407
Energy: 1.6919841047321174
Energy: 1.8421650721718554
Energy: 1.7841821955682737
Energy: 1.6690992800709776
Energy: 1.8467540369232025
Energy: 1.6932233248921127
Energy: 1.8433991893382393
Energy: 1.853329226975
Energy: 1.8459114960845437
Energy: 1.8493169110724546
Energy: 1.6651459818469376
Energy: 1.7522773377285197
Energy: 1.8505465140821369
Energy: 1.8466267293281458
Energy: 1.8484183780454688
Energy: 1.734228768687812
Energy: 1.7527671918699135
Energy: 1.8674497470591278
Energy: 1.663553032238831
Energy: 1.6694791581793582
Energy: 1.7343790679879858
Energy: 1.9384016111418871
Energy: 1.8704823324255841
Energy: 1.661919158905116
Energy: 1.6693082182900756
Energy: 1.7356556044676272
Energy: 1.9377749989057511
Energy: 1.7344935413760783
Energy: 1.929415560131489
Energy: 1.779005225038918
Energy: 1.6633308776106697
Energy: 1.7334217991749767
Energy: 1.7334284926296917
Energy: 1.9296503410574162
Energy: 1.7779995722572843
Energy: 1.975678089532905
Energy: 1.7311102299033896
Energy: 1.783419832983988
Energy: 1.864958852409027
Energy: 1.6632376162217548
Energy: 2.049769466378147
Energy: 1.7795852558385752
Energy: 1.688327779996844
Energy: 1.6861164737105276
Energy: 1.6641356803445841
Energy: 2.0446743804233143
Energy: 1.7793792460755924
Energy: 1.6635775861946955
Energy: 1.6649251182424005
Energy: 1.7789338629151248
Energy: 1.8426192704521496
Energy: 1.6672528587954913
Energy: 1.664115222409571
Energy: 1.664533494742864
Energy: 1.780368294512998
Energy: 1.8439048554684212
Energy: 1.7413236926106614
Energy: 1.6660732389807498
Energy: 1.665682273632871
Energy: 1.662772138463082
Energy: 1.9720739950262973
Energy: 1.6655322127248777
Energy: 1.6660936089086573
Energy: 1.6645219571890277
Energy: 1.6625917831118942
Energy: 1.9424291875456758
Energy: 1.6651906227879434
Energy: 1.6638135116176132
Energy: 1.6664149352032789
Energy: 1.752473043180685
Energy: 1.9374115253773854
Energy: 1.840682726364232
Energy: 1.6635501919470022
Energy: 1.6696482945292506
Energy: 1.7558606058745627
Energy: 1.9352472547104818
Energy: 1.6653440120902288
Energy: 1.6668578904354516
Energy: 1.7817163220040293
Energy: 2.0898565599887773
Energy: 1.6642262668223629
Energy: 1.668672657051305
Energy: 1.9896046263943457
Energy: 1.7806548005737064
Energy: 1.9474700753403191
Energy: 1.664560360396981
Energy: 1.7775383256010688

minimum gb energy = 1.65716976822099 eV
minimum distance =  2.32522513267336 Angstroms
sigma value = 33