Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456936597833
cohesive_energy=4.17898683463013
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.014321113822313235
Energy: 0.0148670754291031
Energy: 0.014643144872127289
Energy: 2.254506170893297
Energy: 0.014643144872564627
Energy: 0.01486707542887157
Energy: 0.014321113821181305
Energy: 0.014867075428408509
Energy: 0.014643144872564627
Energy: 1.5324423754423966
Energy: 0.9303323623286502
Energy: 0.014538800942192434
Energy: 0.017989287425237817
Energy: 0.9298802593152585
Energy: 0.01798928742480048
Energy: 0.014538800942192434
Energy: 0.9303323623281872
Energy: 0.01453880094172937
Energy: 0.01798928742480048
Energy: 0.9298802593152585
Energy: 0.014321113822544765
Energy: 0.01486707542887157
Energy: 0.014643144872564627
Energy: 2.2545061708930656
Energy: 0.014643144873259219
Energy: 0.014867075428640039
Energy: 0.014321113821181305
Energy: 0.014867075428640039
Energy: 0.014643144873027687
Energy: 1.5324423754421908
Energy: 0.9303323623281872
Energy: 0.014538800942398239
Energy: 0.01798928742480048
Energy: 0.9298802593152585
Energy: 0.01798928742456895
Energy: 0.01453880094172937
Energy: 0.9303323623284186
Energy: 0.01453880094172937
Energy: 0.017989287425237817
Energy: 0.929880259315027
Energy: 0.014321113822313235
Energy: 0.01486707542887157
Energy: 0.014643144872564627
Energy: 2.2685734922660066
Energy: 0.014643144872796155
Energy: 0.014867075428640039
Energy: 0.014321113821181305
Energy: 0.014867075428408509
Energy: 0.014643144872564627
Energy: 1.5324423754426284
Energy: 0.9303323623286502
Energy: 0.014538800942398239
Energy: 0.017989287425006283
Energy: 0.9298802593152585
Energy: 0.017989287425006283
Energy: 0.014538800942629769
Energy: 0.9303323623281872
Energy: 0.014538800942398239
Energy: 0.017989287425006283
Energy: 0.929880259315027
Energy: 0.014321113822544765
Energy: 0.014867075428640039
Energy: 0.01464314487235882
Energy: 2.163326098464602
Energy: 0.014643144872127289
Energy: 0.014867075428408509
Energy: 0.014321113820949773
Energy: 0.0148670754291031
Energy: 0.014643144873027687
Energy: 2.1633260984643705

minimum gb energy = 0.014321113820949773 eV
minimum distance =  2.27126006427385 Angstroms
sigma value = 3


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

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Energy: 1.6082283612886312
Energy: 1.5502743232011538
Energy: 1.6352223379546282
Energy: 1.5514533327000126
Energy: 1.6083287481262918
Energy: 1.5762732402680317
Energy: 1.6082283612886312
Energy: 1.5502743232039267
Energy: 1.6085063493224074
Energy: 1.6144321792128646
Energy: 1.6124213111555956
Energy: 1.5583295688762873
Energy: 1.5438473277704894
Energy: 1.487980302034589
Energy: 1.5210290705978977
Energy: 1.6144321792117557
Energy: 1.6124213111572592
Energy: 1.5583295688757328
Energy: 1.5438473277699347
Energy: 1.446897124129803
Energy: 1.519810020132504
Energy: 1.4911503785828317
Energy: 1.5753505605520952
Energy: 1.5314224434543535
Energy: 1.521259835104078
Energy: 1.4468971241303574
Energy: 1.5204553382053667
Energy: 1.49115037858505
Energy: 1.575350560553759
Energy: 1.496852476709156
Energy: 1.5795573268211165
Energy: 1.5338498860084766
Energy: 1.4563400303629477
Energy: 1.4185214827432233
Energy: 1.5329400295257025
Energy: 1.4968524767119284
Energy: 1.57955732682278
Energy: 1.5338498860068128
Energy: 1.4563400303640566
Energy: 1.4395379923744156
Energy: 1.4776659748185332
Energy: 1.4533536469537294
Energy: 1.563291709151966
Energy: 1.5185523869938957
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Energy: 1.4395379923744156
Energy: 1.47766597481687
Energy: 1.453353646954284
Energy: 1.5632917091525202
Energy: 1.5637666330381415
Energy: 1.4731853994836535
Energy: 1.4837714081109699
Energy: 1.4021648509331757
Energy: 1.5317684772542397
Energy: 1.3987916691490667
Energy: 1.5461552406554753
Energy: 1.4731853994830988
Energy: 1.4837714081093063
Energy: 1.4021648509337301
Energy: 1.543188720647732
Energy: 1.602445343760297
Energy: 1.4755073773519933
Energy: 1.4687437051762278
Energy: 1.5511446934502762
Energy: 1.5788460111863154
Energy: 1.543188720647732
Energy: 1.602445343760852
Energy: 1.475507377351439
Energy: 1.4687437051745642
Energy: 1.5660638547560495
Energy: 1.5562371164443822
Energy: 1.5856117305752067
Energy: 1.516338895505095
Energy: 1.500395859114728
Energy: 1.455760964221605
Energy: 1.566063854756604
Energy: 1.5562371164438278
Energy: 1.54485594220242
Energy: 1.516338895505095
Energy: 1.5930038298009133
Energy: 1.5581361857924163
Energy: 1.578570111983539
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Energy: 1.6349044604799716
Energy: 1.5765754180158007
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Energy: 1.5581361857940799
Energy: 1.578570111983539
Energy: 1.5913926589149698
Energy: 1.5896630992670997
Energy: 1.5314537999610967
Energy: 1.6115363147269879
Energy: 1.6245367039717078
Energy: 1.709637623912762
Energy: 1.5510348502699534
Energy: 1.5725056094454672
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Energy: 1.6115363147275423
Energy: 1.6245367039733714
Energy: 1.536299598294359
Energy: 1.4878598780080938
Energy: 1.4811942230839155
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Energy: 1.481194223082252
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Energy: 1.4992990462655473
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Energy: 1.530404310597917
Energy: 1.5192625105073707
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Energy: 1.4992990462649929
Energy: 1.3874074510806473
Energy: 1.5304043105968084
Energy: 1.5192625105112525
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Energy: 1.433319944201585
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Energy: 1.5446727998341625
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Energy: 1.4246770999282707
Energy: 1.5639749558499083
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Energy: 1.544672799834717
Energy: 1.4333199441993667
Energy: 1.4246770999293799
Energy: 1.5639749558499083
Energy: 1.5194161989444745
Energy: 1.4990154131447542
Energy: 1.3866381888134751
Energy: 1.4993167656987088
Energy: 1.4191474164426157
Energy: 1.5613699164203652
Energy: 1.5194161989428112
Energy: 1.4990154131469724
Energy: 1.3866381888129204
Energy: 1.4993167656992632
Energy: 1.4678855348911153
Energy: 1.4810208091654997
Energy: 1.4882978662529713
Energy: 1.536181862002425
Energy: 1.7969598522584889
Energy: 1.529048119737499
Energy: 1.4678855348911153
Energy: 1.4810208091654997
Energy: 1.4882978662540804
Energy: 1.5361818620035341
Energy: 1.623802905906574
Energy: 1.6114377488322635
Energy: 1.5314270458489712
Energy: 1.6034508017093867
Energy: 1.5510564999987413
Energy: 1.6636976352864472
Energy: 1.6238029059093466
Energy: 1.6114377488311544
Energy: 1.531427045848417
Energy: 1.603450801708832
Energy: 1.5829051812088153
Energy: 1.5780694733515166
Energy: 1.5546286292617693
Energy: 1.5931528454200141
Energy: 1.576567188957711
Energy: 1.6347596038634429
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Energy: 1.5780694733487441
Energy: 1.5546286292634328
Energy: 1.5931528454189052
Energy: 1.517204110185399
Energy: 1.5411599267525926
Energy: 1.5564850795603955
Energy: 1.5661192220224163
Energy: 1.4558754106477996
Energy: 1.5007644827545703
Energy: 1.5172041101848444
Energy: 1.594236002675876
Energy: 1.5564850795603955
Energy: 1.5661192220218616
Energy: 1.4685623515247528
Energy: 1.4760388512129177
Energy: 1.5976355889127105
Energy: 1.5431001072382327
Energy: 1.586632748015657
Energy: 1.551195661003066
Energy: 1.4685623515264166
Energy: 1.4760388512118088
Energy: 1.5976355889110472
Energy: 1.5431001072382327
Energy: 1.4078106326659634
Energy: 1.4867505871675126
Energy: 1.4925818325827505
Energy: 1.544588891977626
Energy: 1.3975575083238942
Energy: 1.5419036656580243
Energy: 1.4078106326631907
Energy: 1.486750587168067
Energy: 1.4925818325833051
Energy: 1.5445888919781805
Energy: 1.5451723361255727
Energy: 1.4497427270585312
Energy: 1.4775246190275124
Energy: 1.456711178281842
Energy: 1.482293598261521
Energy: 1.5185695843083973
Energy: 1.5451723361261274
Energy: 1.449742727057977
Energy: 1.4775246190269578
Energy: 1.456711178281842
Energy: 1.4564200778578442
Energy: 1.5340116058688011
Energy: 1.5795217031549744
Energy: 1.496473339906695
Energy: 1.536300484172803
Energy: 1.418681695274406
Energy: 1.4564200778589533
Energy: 1.5340116058710191
Energy: 1.5795217031544198
Energy: 1.4964733399050312
Energy: 1.5753505605515405
Energy: 1.4910151588019527
Energy: 1.5081326066116605
Energy: 1.4475451381106452
Energy: 1.5398065204334446
Energy: 1.5312450436983411
Energy: 1.5753505605509863
Energy: 1.491015158800289
Energy: 1.5182151638631998
Energy: 1.4475451381100906
Energy: 1.5439200604062895
Energy: 1.5584537027658574
Energy: 1.612469814919474
Energy: 1.6143880977651528
Energy: 1.5322278043506654
Energy: 1.4878664117101599
Energy: 1.543920060406844
Energy: 1.5584537027664118
Energy: 1.6124698149205832
Energy: 1.6143880977651528
Energy: 1.5761686598367268
Energy: 1.5514533327011215
Energy: 1.6083287481268465
Energy: 1.5762732402674773
Energy: 1.6082283612886312
Energy: 1.5502743232044809
Energy: 1.6478446773296334
Energy: 1.551453332700567
Energy: 1.608328748125183
Energy: 1.5762732402674773
Energy: 1.5438473277727074
Energy: 1.487980302034589
Energy: 1.5210290705978977
Energy: 1.614432179213419
Energy: 1.6124213111567045
Energy: 1.5583295688762873
Energy: 1.543847327771044
Energy: 1.4879803020340343
Energy: 1.521029070597343
Energy: 1.6144321792117557
Energy: 1.5753505605532045
Energy: 1.5314224434543535
Energy: 1.5582449918801347
Energy: 1.446897124129803
Energy: 1.520455338204812
Energy: 1.4911503785833862
Energy: 1.5753505605520952
Energy: 1.5314224434543535
Energy: 1.521259835104078
Energy: 1.4468971241292485
Energy: 1.4563400303635021
Energy: 1.4185214827426686
Energy: 1.5329400295262572
Energy: 1.496852476710265
Energy: 1.57955732682278
Energy: 1.5338498860073673
Energy: 1.4563400303629477
Energy: 1.4185214827432233
Energy: 1.532940029525148
Energy: 1.496852476711374

minimum gb energy = 1.3866381888129204 eV
minimum distance =  2.24172928613975 Angstroms
sigma value = 75


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

Energy: 1.952347969753824
Energy: 1.901526902451436
Energy: 1.857091559076352
Energy: 1.8766026546076975
Energy: 1.7136274253196682
Energy: 1.7912616268364565
Energy: 1.9523479697522006
Energy: 1.901526902450083
Energy: 1.8570915590774342
Energy: 1.8830553365169609
Energy: 1.9620004767618466
Energy: 1.7221239844249876
Energy: 1.6314001189193046
Energy: 1.6623624693683123
Energy: 1.5957907960079512
Energy: 1.6825158620660376
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Energy: 1.5238697797693255
Energy: 1.5158299104663424
Energy: 1.4863185045831357
Energy: 1.4804838824920903
Energy: 1.7301030973612825
Energy: 1.5583687721816037
Energy: 1.5238697797717606
Energy: 1.5158299104658013
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Energy: 1.654200553718348
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Energy: 1.5205077516334042
Energy: 1.528717365846818
Energy: 1.5387702553314535
Energy: 1.5604293110883332
Energy: 1.6542005537178068
Energy: 1.6410792701207422
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Energy: 1.528717365846818
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Energy: 1.6266061809245973
Energy: 1.6520059290401545
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Energy: 1.5287314143141137
Energy: 1.521294308999076
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Energy: 1.8604901781511682
Energy: 1.6075793975186263
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Energy: 1.5225716462473624
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Energy: 1.4997200202484524
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Energy: 1.486630132533132
Energy: 1.7430429212508372
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Energy: 1.476610006661798
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Energy: 1.6795752559315775
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Energy: 1.631404558483153
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Energy: 1.6314045584809882
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Energy: 1.5427410501803553
Energy: 1.596651230399244
Energy: 1.5064742572223397
Energy: 1.5081961494462137
Energy: 1.6123187122980238
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Energy: 1.6777784561267766
Energy: 1.7043223278375248
Energy: 1.7349532470425153
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Energy: 1.7971502829810964
Energy: 1.8870083010031533
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Energy: 1.9090503147365736
Energy: 1.6311667996346835
Energy: 1.7340296975468543
Energy: 1.6677311530248387
Energy: 1.647820305515717
Energy: 1.6627927409642813
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minimum gb energy = 1.46077821107518 eV
minimum distance =  2.20723072491725 Angstroms
sigma value = 105


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

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Energy: 1.5475373814793303
Energy: 1.5930680544252533
Energy: 1.566659080574756
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Energy: 1.8576734843432916
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Energy: 1.8212995861265926
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Energy: 1.6387070104782653
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Energy: 1.6511914866923143
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Energy: 1.4956878176274402
Energy: 1.4876585262613546
Energy: 1.7435280150802304
Energy: 1.6915064331152967
Energy: 1.4831894241327843
Energy: 1.5540184702834818
Energy: 1.6715735285106201
Energy: 1.5061003175884065
Energy: 1.6733861815747983
Energy: 1.7398607189274473
Energy: 1.4831894241337003
Energy: 1.5540184702856186
Energy: 1.6715735285109252
Energy: 1.5061003175874907
Energy: 1.7653709016632444
Energy: 1.7532485438913803
Energy: 1.5850300546616811
Energy: 1.6294525692945725
Energy: 1.5376404796577259
Energy: 1.5368055252258725
Energy: 1.7653709016611074
Energy: 1.7532485438922962
Energy: 1.5850300546619867
Energy: 1.6294525692948776
Energy: 1.8147805088443532
Energy: 1.7937792399947683
Energy: 1.835852122218941
Energy: 1.7332000562012644
Energy: 1.865419138956066
Energy: 1.8322843762181995
Energy: 1.8147805088437428
Energy: 1.7937792399938526
Energy: 1.835852122219857
Energy: 1.7332000562015697
Energy: 1.7571328450063333
Energy: 1.599529465606081
Energy: 1.641019393501289
Energy: 1.8455380399966985
Energy: 1.8205638821159216
Energy: 1.6163069010023867
Energy: 1.7571328450066384
Energy: 1.599529465608523
Energy: 1.6410193935015944
Energy: 1.8455380399948673
Energy: 1.8229942551733211
Energy: 1.50870448755894
Energy: 1.624957809789598
Energy: 1.5117190416973143
Energy: 1.6545031824073517
Energy: 1.634485272839432
Energy: 1.8229942551717948
Energy: 1.5087044875494768
Energy: 1.6249578097892927
Energy: 1.5117190416982302
Energy: 1.5303875618915608
Energy: 1.5844907673412543
Energy: 1.5951891492636578
Energy: 1.6175308925900371
Energy: 1.6770707121571629
Energy: 1.4878485199582563
Energy: 1.5303875618912557
Energy: 1.5844907673412543
Energy: 1.5951891492636578
Energy: 1.6175308925900371
Energy: 1.802099848984081
Energy: 1.5711847480230212
Energy: 1.5471929493402032
Energy: 1.5913524408748008
Energy: 1.5303771649953009
Energy: 1.6644092720536219
Energy: 1.8020998489837756
Energy: 1.5711847480245473
Energy: 1.5471929493414245
Energy: 1.5913524408757167

minimum gb energy = 1.4604833032167064 eV
minimum distance =  2.26228615606038 Angstroms
sigma value = 165


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

Energy: 1.5839267386556466
Energy: 1.7374253103885229
Energy: 1.6082669621399404
Energy: 2.0069563719703583
Energy: 1.6079828182853086
Energy: 1.7374907900585748
Energy: 1.5839267386556466
Energy: 1.7374253103874748
Energy: 1.6082669621420362
Energy: 1.91099838883309
Energy: 1.732521992356988
Energy: 1.8247708671584675
Energy: 1.4966958579870435
Energy: 1.5603747759902007
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Energy: 1.4692838367726253
Energy: 1.732521992358036
Energy: 1.8247708671595153
Energy: 1.4966958579870435
Energy: 1.5603747759902007
Energy: 1.3551353155721848
Energy: 1.5469245070777828
Energy: 1.4857992891571874
Energy: 1.4463263448845272
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Energy: 1.5551007451998742
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Energy: 1.4463263448834789
Energy: 1.410902404790954
Energy: 1.6623804917459841
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Energy: 1.7016989969694893
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Energy: 1.4074068094080228
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Energy: 1.880731449908594
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Energy: 1.422131735064719
Energy: 1.4084367420244348
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Energy: 1.4881337654995832
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Energy: 1.422131735064719
Energy: 1.4084367420244348
Energy: 1.466796214122196
Energy: 1.496370148177928
Energy: 1.7418147359677638
Energy: 1.4556667403929602
Energy: 1.767720513145618
Energy: 1.4964841649338307
Energy: 1.7799448798044986
Energy: 1.496370148177928
Energy: 1.7418147359688119
Energy: 1.4556667403950558
Energy: 1.767720513145618
Energy: 1.7168289319458043
Energy: 2.002279685502468
Energy: 1.496059336519234
Energy: 1.5411174577898779
Energy: 1.5310812789530435
Energy: 1.6668297258003935
Energy: 1.7168289319458043
Energy: 2.002279685502468
Energy: 1.496059336519234
Energy: 1.5411174577898779
Energy: 1.3547857891651915
Energy: 1.5477192893338556
Energy: 1.6623574393627316
Energy: 1.411032825757091
Energy: 1.447396079060618
Energy: 1.4713095566113403
Energy: 1.3547857891651915
Energy: 1.5477192893359517
Energy: 1.6623574393627316
Energy: 1.411032825756043
Energy: 1.4464533486802653
Energy: 1.4857992891550915
Energy: 1.546789139148358
Energy: 1.3551275407942962
Energy: 1.5551007452009222
Energy: 1.5052166754952983
Energy: 1.4464533486792175
Energy: 1.4857992891540435
Energy: 1.546789139148358
Energy: 1.3551275407942962
Energy: 1.5604437133687676
Energy: 1.496713709757554
Energy: 1.8248032807173173
Energy: 1.7322752159904473
Energy: 1.4695490178983925
Energy: 1.447219816036166
Energy: 1.5604437133687676
Energy: 1.496713709757554
Energy: 1.8248032807173173
Energy: 1.7322752159914954
Energy: 1.7414823539340685
Energy: 1.607982818286357
Energy: 1.7374907900575265
Energy: 1.5839267386556466
Energy: 1.7374253103874748
Energy: 1.608266962143084
Energy: 1.741482353935116
Energy: 1.607982818286357
Energy: 1.7374907900585748
Energy: 1.5839267386556466

minimum gb energy = 1.3547316359179034 eV
minimum distance =  2.26781415961548 Angstroms
sigma value = 41


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

Energy: 1.703649291598487
Energy: 1.591482167059993
Energy: 1.177383055100846
Energy: 1.941434326579145
Energy: 1.1765247435330857
Energy: 1.590995408355217
Energy: 1.7036492916001138
Energy: 1.5914821670608061
Energy: 1.1773830551020656
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Energy: 1.7608252612730353
Energy: 1.5194234663393384
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Energy: 1.3924167852556917
Energy: 1.4257118976351524
Energy: 1.4276821953158154
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Energy: 1.5679114388066293
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Energy: 1.2088923323077105
Energy: 1.3796423075403774
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Energy: 1.5679114388090691
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Energy: 1.208892332307304
Energy: 1.5898731289071164
Energy: 1.706439495511723
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Energy: 1.519254950761234
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Energy: 1.4207459744723607
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Energy: 1.3799959233108703
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Energy: 1.5714559815601516
Energy: 1.1754274377380254
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Energy: 1.260281509064969
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Energy: 1.420247429131522
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Energy: 1.589694143936143
Energy: 1.1761010914968757
Energy: 1.5198629873210519
Energy: 1.7706439454922256
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Energy: 1.7096569602797098
Energy: 1.5896941439381762
Energy: 1.1761010914964691
Energy: 1.5198629873198322
Energy: 1.3042327704793513
Energy: 1.7694425548993475
Energy: 1.175684691083535
Energy: 1.378450859745336
Energy: 1.2051425260348272
Energy: 1.2805365063190601
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Energy: 1.3784508597449296
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Energy: 1.4260569221784085
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Energy: 1.2028929552734204
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Energy: 1.4213607929605083
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Energy: 1.3920728147463826
Energy: 1.2017950984765444
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Energy: 1.1753510875401085
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Energy: 1.7043707759565077
Energy: 1.590396346043504
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Energy: 1.275248914097777
Energy: 1.7613243595815693
Energy: 1.5049385076283512
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Energy: 1.4904320258902837
Energy: 1.4260396314416721
Energy: 1.4260409842502983
Energy: 1.4904320258923165
Energy: 1.201817325707401
Energy: 1.2020394923446742
Energy: 1.4904320258910968
Energy: 1.4260396314432986
Energy: 1.4260409842490784
Energy: 1.4904320258894705
Energy: 1.1751574830452864
Energy: 1.5048660786843786
Energy: 1.7610440321227834
Energy: 1.274877401942731
Energy: 1.2008996086722614
Energy: 1.3927445079530938
Energy: 1.1751574830456932
Energy: 1.5048660786835655
Energy: 1.7610440321235965
Energy: 1.274877401943544
Energy: 1.1757373560205613
Energy: 1.5904397197865965
Energy: 1.7043800202243535
Energy: 1.5827087354544667
Energy: 1.1766604614016705
Energy: 1.7695917453680827
Energy: 1.1757373560213746
Energy: 1.5904397197865965
Energy: 1.7043800202255732
Energy: 1.5827087354569065
Energy: 1.2009205233216058
Energy: 1.3929621011514506
Energy: 1.7612564767054233
Energy: 1.519274893832186
Energy: 1.17523467390666
Energy: 1.4213861319124506
Energy: 1.200920523321199
Energy: 1.3929621011502307
Energy: 1.7612564767058299
Energy: 1.5192748938325926
Energy: 1.2020577628629427
Energy: 1.3920728147439427
Energy: 1.4260452151902094
Energy: 1.4211240670309027
Energy: 1.4902494538747002
Energy: 1.2014897413079595
Energy: 1.2020577628609095
Energy: 1.3920728147447559
Energy: 1.4260452151898029
Energy: 1.4211240670304963
Energy: 1.378218623244842
Energy: 1.176315920147365
Energy: 1.7694677731427433
Energy: 1.3041445641165517
Energy: 1.2804109930205936
Energy: 1.2051579496860692
Energy: 1.3782186232452482
Energy: 1.1763159201477715
Energy: 1.7694677731431498
Energy: 1.304144564116145
Energy: 1.5198864921454363
Energy: 1.1754739037233137
Energy: 1.589773578615683
Energy: 1.7098581955247685
Energy: 1.5722517604121289
Energy: 1.770818319461958
Energy: 1.5198864921474693
Energy: 1.175473903722094
Energy: 1.5897735786160896
Energy: 1.7098581955247685
Energy: 1.420419052537617
Energy: 1.2017589231989603
Energy: 1.3947780020864553
Energy: 1.7561404642077518
Energy: 1.5184179134506355
Energy: 1.1779895033553522
Energy: 1.420419052537617
Energy: 1.2017589231989603
Energy: 1.3947780020880818
Energy: 1.7561404642081584

minimum gb energy = 1.174851811901759 eV
minimum distance =  2.19997673166816 Angstroms
sigma value = 185


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

Energy: 1.4843402747091192
Energy: 1.8975125387381784
Energy: 1.4444961035225652
Energy: 1.9040174308300715
Energy: 1.4977021281746332
Energy: 1.81496818590041
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Energy: 1.4063765705803999
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Energy: 1.304376805057564
Energy: 1.2587160866123697
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Energy: 1.2587160866114044
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Energy: 1.4930897303293875
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Energy: 1.405366047232907
Energy: 1.9290632399973386
Energy: 1.4444961035080857
Energy: 2.008413463755947
Energy: 1.4930897303308355
Energy: 1.731432936966782
Energy: 1.405366047232907
Energy: 1.2587160866114044
Energy: 1.2220678319701515
Energy: 1.4414352974873594
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Energy: 1.8406982366207163
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Energy: 1.6830254828164397
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Energy: 1.2229685840482307
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Energy: 1.8406982366207163
Energy: 1.3742577843132247
Energy: 1.7793649123718347
Energy: 1.4050397420886793
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Energy: 1.6970269735627965
Energy: 1.9116474721207286
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Energy: 1.9116474721192804
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Energy: 1.8328278834206675
Energy: 1.2231705026254323
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Energy: 1.2226886330269997
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Energy: 1.7212577078527895
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Energy: 1.36294570685038
Energy: 1.7754315337494824
Energy: 1.549995663285492
Energy: 1.22319613819311
Energy: 1.8199151168630092
Energy: 1.4044940934341903
Energy: 1.8933125139685945
Energy: 1.520652669585396
Energy: 1.466349303127597
Energy: 1.3478735795844292
Energy: 1.8199151168654222
Energy: 1.4044940934351557
Energy: 1.8933125139700424
Energy: 1.520652669611459
Energy: 1.9424762511692715
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Energy: 1.864919473255081
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Energy: 1.2233660215479454
Energy: 1.942476251168306
Energy: 1.4059138125209092
Energy: 1.8649194732541157
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Energy: 1.827418206662261
Energy: 1.7930226138719754
Energy: 1.2230415107490276
Energy: 1.826140110742726
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Energy: 1.934372399483038
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Energy: 1.3673088812478078
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Energy: 1.6984990186504154
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Energy: 1.6984990186489672
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Energy: 1.883795918359756
Energy: 1.2232614045867332
Energy: 1.3022875225560022
Energy: 1.3751010747133077
Energy: 1.779364912370387
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Energy: 1.8837959183578252
Energy: 1.2232614045876984
Energy: 1.3022875225564847
Energy: 1.3751010747142731
Energy: 1.8328278834187366
Energy: 1.2719773541399395
Energy: 1.5137593328779737
Energy: 1.6970269735632793
Energy: 1.9116474721202459
Energy: 1.40466119675713
Energy: 1.8328278834206675
Energy: 1.2719773541404222
Energy: 1.5137593328770085
Energy: 1.6970269735627965
Energy: 1.2197729148344711
Energy: 1.261124944440421
Energy: 1.54994592962451
Energy: 1.223170502624467
Energy: 1.7348616887631112
Energy: 1.4302823814339083
Energy: 1.2197729148330232
Energy: 1.2611249444028176
Energy: 1.549945929625958
Energy: 1.223170502624467
Energy: 1.2231855142993486
Energy: 1.7371280420723378
Energy: 1.2603441779978357
Energy: 1.2226886330298958
Energy: 1.7754315337499649
Energy: 1.5499956632850094
Energy: 1.2231855142993486
Energy: 1.7371280420713724
Energy: 1.2603441769987371
Energy: 1.222688633029413
Energy: 1.5206526695762252
Energy: 1.4630583035720306
Energy: 1.3037260877072014
Energy: 1.8199151168654222
Energy: 1.4044940934351557
Energy: 1.8933125139700424
Energy: 1.5206526695897395
Energy: 1.463058303572996
Energy: 1.3037260877072014
Energy: 1.8199151168630092
Energy: 1.37452952193154
Energy: 1.2666153281998602
Energy: 1.2233660215498758
Energy: 1.9424762511692715
Energy: 1.4059138125199442
Energy: 1.8649194732545982
Energy: 1.3745295219325053
Energy: 1.2666153281993777
Energy: 1.2233660215479454
Energy: 1.9424762511687887
Energy: 1.8261401107422432
Energy: 1.6830254828164397
Energy: 1.2222643590001732
Energy: 1.8469758499721007
Energy: 1.7930226138729408
Energy: 1.222536287729736
Energy: 1.8261401107432087
Energy: 1.6830254828145088
Energy: 1.2222643589992077
Energy: 1.8469758499749964
Energy: 1.3031570947935045
Energy: 1.2720457956945794
Energy: 1.7049224069616449
Energy: 1.329386349858946
Energy: 1.4414352974863942
Energy: 1.2220366404496417
Energy: 1.3031570947920568
Energy: 1.2720457956940967
Energy: 1.7049224069621276
Energy: 1.3293863498034406

minimum gb energy = 1.2197729148330232 eV
minimum distance =  2.27101069351986 Angstroms
sigma value = 33


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

Energy: 1.658681405313477
Energy: 1.927690200101313
Energy: 1.5637534088213563
Energy: 1.8817609093474728
Energy: 1.5866166210548314
Energy: 1.8821846210164082
Energy: 1.658681405312947
Energy: 1.9276902001042275
Energy: 1.5637534088210912
Energy: 1.8373677354481808
Energy: 1.9722587213553069
Energy: 1.907690837208774
Energy: 1.510589974965384
Energy: 1.6127428815622638
Energy: 1.3584290170571773
Energy: 1.3606955580769335
Energy: 1.9722587213566318
Energy: 1.9076908372111587
Energy: 1.5105899749638183
Energy: 1.6127428815601441
Energy: 1.6474053595235605
Energy: 1.3414980141970307
Energy: 1.6974967819169768
Energy: 1.8961525635470355
Energy: 1.3911239739832657
Energy: 1.423893730061814
Energy: 1.64740535952462
Energy: 1.3414980141986206
Energy: 1.697496781916447
Energy: 1.8961525635486252
Energy: 1.4679594812724195
Energy: 1.394131788910245
Energy: 1.567484288078086
Energy: 1.5099775883856241
Energy: 1.706730074985925
Energy: 1.8527112263721548
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Energy: 1.3941317889115696
Energy: 1.567484288076496
Energy: 1.509977588386154
Energy: 1.4731828650752574
Energy: 1.4201529370239738
Energy: 1.4915531709873369
Energy: 1.8678867316575791
Energy: 1.5691043598380938
Energy: 1.5027493193582564
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Energy: 1.4201529370237087
Energy: 1.4915531709894567
Energy: 1.8678867316575791
Energy: 1.87047644309316
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Energy: 1.6537469074010789
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Energy: 1.8878033011887563
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Energy: 1.6269688740468808
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Energy: 1.4154512403266548
Energy: 1.4237979718325398
Energy: 1.6475026419436631
Energy: 1.339771986689197
Energy: 1.6954225620656402
Energy: 1.9068841558760659
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Energy: 1.6267637050896588
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Energy: 1.6908658749042125
Energy: 1.3843124910691553
Energy: 1.697360117308951
Energy: 1.5030638463380313
Energy: 1.473832026031805
Energy: 1.4038317039613988
Energy: 1.5119041395462653
Energy: 1.850308489958825
Energy: 1.697360117307626
Energy: 1.5030638463375015
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Energy: 1.4038317039627237
Energy: 1.3441627564558027
Energy: 1.7187160132675072
Energy: 1.8721148023021839
Energy: 1.3851421283895864
Energy: 1.6511076639323539
Energy: 1.4155325848408493
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Energy: 1.718716013268832
Energy: 1.8721148023035088
Energy: 1.3851421283922358
Energy: 1.4401010316679979
Energy: 1.5596414516624444
Energy: 1.5114143609019641
Energy: 1.734638379754069
Energy: 1.9116904698255077
Energy: 1.554549495896799
Energy: 1.4401010316685279
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Energy: 1.5114143609003745
Energy: 1.734638379753274
Energy: 1.5590440335838749
Energy: 1.7679280988810777
Energy: 1.705034216185601
Energy: 1.93258021753509
Energy: 1.6093602871409212
Energy: 1.9067531576537093
Energy: 1.5590440335830797
Energy: 1.7679280988810777
Energy: 1.7050342161871908
Energy: 1.932580217534825
Energy: 1.5102032405518013
Energy: 1.6131279426234344
Energy: 1.3348065568826069
Energy: 1.4286411164856767
Energy: 1.749509887079587
Energy: 1.9007571775791
Energy: 1.510203240553126
Energy: 1.6131279426207847
Energy: 1.334806556881547
Energy: 1.4286411164867365
Energy: 1.6029207719861402
Energy: 1.906889909975295
Energy: 1.3337523582502497
Energy: 1.4117057207011952
Energy: 1.4999404578997773
Energy: 1.3757537324671323
Energy: 1.6029207719861402
Energy: 1.9068899099731753
Energy: 1.33375235824972
Energy: 1.4117057206998704
Energy: 1.5731048553044702
Energy: 1.5170984457163923
Energy: 1.7413171999299821
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Energy: 1.576351370778927

minimum gb energy = 1.305658697843328 eV
minimum distance =  2.21677632561362 Angstroms
sigma value = 219


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

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Energy: 1.4727047596205
Energy: 1.66671820798287
Energy: 1.3562726571485135
Energy: 1.3470973795718626
Energy: 1.429994387052903

minimum gb energy = 1.2353192363942003 eV
minimum distance =  2.27417627839984 Angstroms
sigma value = 15


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

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minimum gb energy = 1.4365880765174168 eV
minimum distance =  2.24255276113588 Angstroms
sigma value = 293


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

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Energy: 1.7426562755418227
Energy: 1.7645716838083996
Energy: 1.7393131414910923
Energy: 1.7451705793330918
Energy: 1.4694569173067158
Energy: 1.6304525644412071
Energy: 1.7426562755418227
Energy: 1.7105588098240734
Energy: 1.620142122315715
Energy: 1.5185408244556688
Energy: 1.5288220667508654
Energy: 1.5457536555713902
Energy: 1.6670068064908987
Energy: 1.7105588098252615
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Energy: 1.518540824456461
Energy: 1.5288220667508654
Energy: 1.7725376645613824
Energy: 1.9006716590430215
Energy: 1.5449065048679784
Energy: 2.101160848522335
Energy: 1.5456247046827671
Energy: 1.8336628594693247
Energy: 1.7725376645625708
Energy: 1.9006716590442096
Energy: 1.5449065048687707
Energy: 2.0797689767227174
Energy: 1.7656601659994533
Energy: 1.6669364712182098
Energy: 1.5500043070377212
Energy: 1.5288275210393734
Energy: 1.5187581395729608
Energy: 1.6200193593710428
Energy: 1.765660165998265
Energy: 1.6669364712178136
Energy: 1.5500043070377212
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Energy: 1.7538159293005675
Energy: 1.7694387913400031
Energy: 1.7738244574410567
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Energy: 1.7594474328186467
Energy: 1.7694387913400031
Energy: 1.773824457442245
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Energy: 1.8633897406838436
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Energy: 1.8633897406842397
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Energy: 1.4843523526786566
Energy: 1.5799013366650059
Energy: 1.75171419976346
Energy: 1.8050783708985645
Energy: 1.673044237679803
Energy: 1.4605203668320759
Energy: 1.4843523526790523
Energy: 1.5799013366642138
Energy: 1.7517141997646481
Energy: 1.8050783708985645
Energy: 1.4917311982693058
Energy: 1.5860486065687691
Energy: 1.5787179581613933
Energy: 1.8989958623834626
Energy: 1.799535099846038
Energy: 2.0599140418627093
Energy: 1.4917311982685135
Energy: 1.5860486065798598
Energy: 1.5787179581613933
Energy: 1.898995862384255
Energy: 1.5491380021942251
Energy: 1.7316728851862337
Energy: 1.8062421332652798
Energy: 2.0485015931672286
Energy: 1.7043029927165223
Energy: 1.743604105454002
Energy: 1.5491380021942251
Energy: 1.7316728851866297
Energy: 1.8062421332648835
Energy: 2.0485015931668324
Energy: 1.569443928653294
Energy: 1.5374019452672023
Energy: 1.5357001299850361
Energy: 1.5561519086474587
Energy: 1.6409263596037944
Energy: 1.6407256168117714
Energy: 1.5694439286536899
Energy: 1.537401945266806
Energy: 1.5357001299854325
Energy: 1.5561519086478548
Energy: 2.028869792821753
Energy: 1.806299895758168
Energy: 1.731298325827165
Energy: 1.5490767235439258
Energy: 1.7437373813658679
Energy: 1.7045334044359057
Energy: 2.028869792822149
Energy: 1.8062998957577716
Energy: 1.731298325826769
Energy: 1.5490767235455103
Energy: 1.8989646467332553
Energy: 1.5787304384182002
Energy: 1.5859216898103838
Energy: 1.5025318356822848
Energy: 2.059871373906218
Energy: 1.752889986346396
Energy: 1.8989646467340473
Energy: 1.5787304384182002
Energy: 1.5859216898175137
Energy: 1.5025318356814925
Energy: 1.8052247084894881
Energy: 1.7525586421633117
Energy: 1.57990133666461
Energy: 1.4841015363467522
Energy: 1.4605893632300324
Energy: 1.673044237679407
Energy: 1.805224708489092
Energy: 1.752558642164104
Energy: 1.5799013366642138
Energy: 1.484101536346356
Energy: 1.6398985303225415
Energy: 1.8633806651785931
Energy: 1.7287185595216914
Energy: 2.0588226930472096
Energy: 1.655587677168408
Energy: 1.5932633992484122
Energy: 1.6398985303229376
Energy: 1.8633806651785931
Energy: 1.7287185595228798
Energy: 2.0588226930476057

minimum gb energy = 1.4605203668316797 eV
minimum distance =  2.2567026243778 Angstroms
sigma value = 293


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

Energy: 1.1870131323848663
Energy: 1.5724030562340163
Energy: 1.2369258923237811
Energy: 2.0433631818009834
Energy: 1.2368558032571362
Energy: 1.4195429753341569
Energy: 1.187013132385582
Energy: 1.572403056235448
Energy: 1.2369258923223492
Energy: 1.6415306277557051
Energy: 1.4461574470783887
Energy: 1.873914022669775
Energy: 1.2362607920309805
Energy: 1.5298230223834515
Energy: 1.5954014695433305
Energy: 1.3102776018298543
Energy: 1.4461574470776726
Energy: 1.923217996106022
Energy: 1.2362607920316964
Energy: 1.366542971107157
Energy: 1.475184522550644
Energy: 1.199233630023928
Energy: 1.6928218355429625
Energy: 1.5525508984621348
Energy: 1.5346424723497691
Energy: 1.2348932543893778
Energy: 1.4751845225492122
Energy: 1.199233630023928
Energy: 1.6928218355436786
Energy: 1.5525508984614191
Energy: 1.6928011784895687
Energy: 1.1998010461217556
Energy: 1.4750689810274593
Energy: 1.2349114542543702
Energy: 1.5346973757873659
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Energy: 1.6928011784902846
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Energy: 1.2349114542536541
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Energy: 1.310796226470513
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Energy: 1.595437848099352
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Energy: 1.6222272990644533
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Energy: 1.3107962264690811
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Energy: 1.550543709532032
Energy: 1.1870131323848663
Energy: 1.572403056235448
Energy: 1.2369258923223492
Energy: 1.886531504299746
Energy: 1.2368558032571362
Energy: 1.362664932343381
Energy: 1.1870131323848663
Energy: 1.572403056236164
Energy: 1.5954014695433305
Energy: 1.3102776018284228
Energy: 1.4461574470776726
Energy: 1.8739140226704907
Energy: 1.2362607920324122
Energy: 1.366542971107157
Energy: 1.5954014695447623
Energy: 1.3102776018291384
Energy: 1.446157447076957
Energy: 1.9232179961067382
Energy: 1.5346424723497691
Energy: 1.234893254388662
Energy: 1.4751845225492122
Energy: 1.199233630023928
Energy: 1.6928218355422469
Energy: 1.5525508984614191
Energy: 1.5346424723490533
Energy: 1.234893254388662
Energy: 1.4751845225492122
Energy: 1.199233630023928
Energy: 1.5346973757873659
Energy: 1.5523942731328686
Energy: 1.6928011784895687
Energy: 1.1998010461217556
Energy: 1.4750689810253117
Energy: 1.2349114542543702
Energy: 1.5346973757873659
Energy: 1.5523942731321527
Energy: 1.6928011784902846
Energy: 1.1998010461231876
Energy: 1.5951427716065134
Energy: 1.5954378481000677
Energy: 1.2363298282159287
Energy: 1.9374288278829288
Energy: 1.4462295425834877
Energy: 1.310796226469797
Energy: 1.5951427716065134
Energy: 1.595437848099352
Energy: 1.2363298282187924
Energy: 1.6222272990644533
Energy: 1.2369258923223492
Energy: 1.8279069254207212
Energy: 1.23685580325642
Energy: 1.362664932342665
Energy: 1.1870131323848663
Energy: 1.5724030562340163
Energy: 1.2369258923223492
Energy: 1.6415306277549893
Energy: 1.2368558032571362
Energy: 1.362664932341949
Energy: 1.2362607920309805
Energy: 1.366542971107873
Energy: 1.5954014695440466
Energy: 1.3102776018298543
Energy: 1.4461574470776726
Energy: 1.9232179961067382
Energy: 1.2362607920302646
Energy: 1.366542971107157
Energy: 1.5954014695426146
Energy: 1.3102776018298543
Energy: 1.6928218355429625
Energy: 1.5525508984621348
Energy: 1.5346424723497691
Energy: 1.2348932543893778
Energy: 1.475184522549928
Energy: 1.1992336300246438
Energy: 1.6928218355429625
Energy: 1.5525508984621348
Energy: 1.5346424723497691
Energy: 1.234893254388662
Energy: 1.4750689810260276
Energy: 1.2349114542536541
Energy: 1.5346973757873659
Energy: 1.5523942731321527
Energy: 1.6928011784902846
Energy: 1.1998010461224715
Energy: 1.4750689810253117
Energy: 1.2349114542536541
Energy: 1.5346973757873659
Energy: 1.5523942731321527
Energy: 1.4462295425842036
Energy: 1.310796226469797
Energy: 1.5951427716065134
Energy: 1.5954378481000677
Energy: 1.2363298282180764
Energy: 1.818916032287837
Energy: 1.44622954258134
Energy: 1.310796226471229
Energy: 1.5951427716065134
Energy: 1.5954378481000677
Energy: 1.187013132385582
Energy: 1.5724030562347322
Energy: 1.236925892323065
Energy: 2.107247449921745
Energy: 1.2368558032571362
Energy: 1.362664932341949
Energy: 1.1870131323848663
Energy: 1.5724030562347322
Energy: 1.2369258923223492
Energy: 1.6415306277549893
Energy: 1.4461574470776726
Energy: 1.7551091011456916
Energy: 1.2362607920324122
Energy: 1.366542971107157
Energy: 1.5954014695418985
Energy: 1.3102776018298543
Energy: 1.446157447076957
Energy: 1.923217996106022
Energy: 1.2362607920295485
Energy: 1.366542971107157
Energy: 1.4751845225492122
Energy: 1.199233630023928
Energy: 1.6928218355429625
Energy: 1.5525508984621348
Energy: 1.5346424723497691
Energy: 1.234893254388662
Energy: 1.4751845225492122
Energy: 1.199233630023928
Energy: 1.6928218355436786
Energy: 1.5525508984614191
Energy: 1.6928011784902846
Energy: 1.1998010461224715
Energy: 1.4750689810260276
Energy: 1.2349114542543702
Energy: 1.5346973757873659
Energy: 1.5523942731321527
Energy: 1.6928011784902846
Energy: 1.1998010461224715
Energy: 1.4750689810253117
Energy: 1.2349114542529385
Energy: 1.2363298282159287
Energy: 1.923217996107454
Energy: 1.4462295425834877
Energy: 1.310796226469797
Energy: 1.5951427716065134
Energy: 1.5954378481000677
Energy: 1.236329828215213
Energy: 1.622227299065885
Energy: 1.44622954258134
Energy: 1.310796226469797
Energy: 1.2368558032571362
Energy: 1.362664932342665
Energy: 1.1870131323848663
Energy: 1.5724030562333005
Energy: 1.236925892323065
Energy: 1.8865315042990303
Energy: 1.236855803257852
Energy: 1.362664932341949
Energy: 1.1870131323841502
Energy: 1.5724030562347322
Energy: 1.5954014695440466
Energy: 1.3102776018298543
Energy: 1.4461574470783887
Energy: 1.8739140226704907
Energy: 1.2362607920324122
Energy: 1.366542971107157
Energy: 1.5954014695433305
Energy: 1.3102776018291384
Energy: 1.4461574470776726
Energy: 1.9232179961067382

minimum gb energy = 1.1870131323841502 eV
minimum distance =  2.31706718883629 Angstroms
sigma value = 15


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

Energy: 1.7976743920717062
Energy: 1.799146166708904
Energy: 1.5664195183957659
Energy: 1.965398054990981
Energy: 1.5604961279971814
Energy: 1.8775229936041284
Energy: 1.7976743920704084
Energy: 1.7991461667085795
Energy: 1.5664195183967395
Energy: 1.951626335490252
Energy: 1.7073639480235525
Energy: 1.843084887387191
Energy: 1.651451951582372
Energy: 1.4927231075947855
Energy: 1.4806174519274637
Energy: 1.6648602094323224
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Energy: 1.8430848873845949
Energy: 1.651451951581723
Energy: 1.492723107597057
Energy: 1.692888007120341
Energy: 1.7285009159441294
Energy: 1.9240461849304382
Energy: 1.5873716077038214
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Energy: 1.644396622133046
Energy: 1.6928880071174204
Energy: 1.7285009159418576
Energy: 1.9240461849291401
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Energy: 1.81703027880343
Energy: 1.6219118968740953
Energy: 1.4923900777265955
Energy: 1.5133680932326807
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Energy: 1.5575625922968492
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Energy: 1.7591393080777824
Energy: 1.5833873705383394
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Energy: 1.7317137367980333
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Energy: 1.7466586510027708
Energy: 1.8000606190213306
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Energy: 1.8000606190223043
Energy: 1.4711385501539822
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Energy: 1.5449905920443245
Energy: 1.5103374315773574
Energy: 1.6817159524112923
Energy: 1.5681277702282752
Energy: 1.8647042096950723
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Energy: 1.5367813519415814
Energy: 1.510337431577682
Energy: 1.6817159523960403
Energy: 1.5681277702273015
Energy: 1.5271400035447464
Energy: 1.6854582832476142
Energy: 1.4776731626393023
Energy: 1.5143463748675343
Energy: 1.6889930044388508
Energy: 1.6876527022761139
Energy: 1.5271400035470182
Energy: 1.685458283249561
Energy: 1.4776731626367061
Energy: 1.5143463748678587
Energy: 1.7515052003934648
Energy: 1.9230534068388483
Energy: 1.5570578045686574
Energy: 1.9126714109678167
Energy: 1.6826328383862146
Energy: 1.690197751221939
Energy: 1.7515052003931404
Energy: 1.923053406838199
Energy: 1.5570578045702799
Energy: 1.9126714109694392
Energy: 1.5710946534444508
Energy: 1.5610940638046649
Energy: 1.489615140658824
Energy: 1.5000791872183128
Energy: 1.6432149070945379
Energy: 1.6405681176396023
Energy: 1.5710946534438017
Energy: 1.5610940638069366
Energy: 1.489615140658824
Energy: 1.5000791872186372
Energy: 1.732067854853978
Energy: 1.6240289235360925
Energy: 1.9227796664213999
Energy: 1.4940301483594
Energy: 1.9383241245283982
Energy: 1.70243959786295
Energy: 1.7441876922379833
Energy: 1.6240289235393375
Energy: 1.9227796664217245
Energy: 1.4940301483623206
Energy: 1.67743386703107
Energy: 1.6626314875981716
Energy: 1.5384084548622408
Energy: 1.441077489931645
Energy: 1.7122236387836185
Energy: 1.6185688059616345
Energy: 1.6774338670291227
Energy: 1.6626314875994697
Energy: 1.5384084548628898
Energy: 1.4410774899342411
Energy: 1.6118711852048853
Energy: 1.814333445836147
Energy: 1.594116463170508
Energy: 1.5575308773739132
Energy: 1.5664287344404828
Energy: 1.6630670254059887
Energy: 1.6118711852045606
Energy: 1.8143334458351734
Energy: 1.5941164631672629
Energy: 1.5575308775698309
Energy: 1.619145231907013
Energy: 1.5849294750174219
Energy: 1.5620318342935349
Energy: 1.5200648009598245
Energy: 1.4836686819692362
Energy: 1.762615515281668
Energy: 1.6191452319040924
Energy: 1.5849294750177463
Energy: 1.562031834294184
Energy: 1.5200648009598245
Energy: 1.6948742830254802
Energy: 1.5604531591142115
Energy: 1.7400464779962117
Energy: 1.4450870336277666
Energy: 1.5485909562364262
Energy: 1.6254984171744082
Energy: 1.7250898047568801
Energy: 1.5604531591103172
Energy: 1.7400464779958875
Energy: 1.4450870336271178
Energy: 1.7813288863959496
Energy: 1.7237166629747762
Energy: 1.798664597787193
Energy: 1.5077214180026142
Energy: 1.9127680817496056
Energy: 1.681543444021291
Energy: 1.7813288863943268
Energy: 1.7237166629747762
Energy: 1.7986645977875173
Energy: 1.5077214180022895
Energy: 1.5676492999341334
Energy: 1.6330602418642215
Energy: 1.5928398220061242
Energy: 1.6451657091640635
Energy: 1.5366176083695102
Energy: 1.5618453760606366
Energy: 1.5676492999325105
Energy: 1.633060241866493
Energy: 1.5928398220061242
Energy: 1.6451657091611427
Energy: 1.710085074824977
Energy: 1.6133193802998649
Energy: 1.6304831284448091
Energy: 1.9324653882674692
Energy: 1.6482703306264745
Energy: 1.9366206600398677
Energy: 1.7100850748265701
Energy: 1.613319380300514
Energy: 1.6304831284480543
Energy: 1.9324653882700653
Energy: 1.6030913398995579
Energy: 1.6410351653071569
Energy: 1.705838355471093
Energy: 1.5600516230140333
Energy: 1.46851280951681
Energy: 1.6669425421688544
Energy: 1.6030913398989088
Energy: 1.6410351653055342
Energy: 1.7058383554701193
Energy: 1.5600516230117616
Energy: 1.6280425104302116
Energy: 1.7953494546854938
Energy: 1.8382150656996792
Energy: 1.603994594322204
Energy: 1.8505501229819323
Energy: 1.5159822934080975
Energy: 1.6280425104269667
Energy: 1.7953494546838713
Energy: 1.8382150657016265
Energy: 1.6039945943225284
Energy: 1.7490641524692638
Energy: 1.617495113524327
Energy: 1.6963700027636495
Energy: 1.558610706085145
Energy: 1.6004872465719924
Energy: 1.4651328378014503
Energy: 1.7490641524692638
Energy: 1.6174951135210818
Energy: 1.6963700027600797
Energy: 1.558610706089039
Energy: 1.571358500122925
Energy: 1.839073709417887
Energy: 1.584323507489435
Energy: 1.710363392084024
Energy: 1.4441384336105212
Energy: 1.5307222362754709
Energy: 1.5713585001226005
Energy: 1.839073709418536
Energy: 1.5843235074881372
Energy: 1.7103633920827261
Energy: 1.6764470959795905
Energy: 1.7645712778173048
Energy: 1.778348254890191
Energy: 1.730867923690578
Energy: 1.4986304800988015
Energy: 1.812096344229301
Energy: 1.676447095975696
Energy: 1.7645712778182783
Energy: 1.778348254888568
Energy: 1.7308679236883064
Energy: 1.4961092859821807
Energy: 1.6397825996998852
Energy: 1.7733985048673682
Energy: 1.691542168360677
Energy: 1.6321064583998266
Energy: 1.4721327069008614
Energy: 1.4961092859838034
Energy: 1.6397825997005342
Energy: 1.773398504866719
Energy: 1.6915421683616507
Energy: 1.9603689885401319
Energy: 1.6340506356275417
Energy: 1.6543491413682718
Energy: 1.7015355705813746
Energy: 1.932264471168632
Energy: 1.643987106599816
Energy: 1.9603689885372113
Energy: 1.6340506356285154
Energy: 1.6543491413698943
Energy: 1.7015355705797521
Energy: 1.6488924185946867
Energy: 1.5770894444109693
Energy: 1.6522053434059587
Energy: 1.5941419429692232
Energy: 1.5634302491461907
Energy: 1.4575156864148282
Energy: 1.6488924185940377
Energy: 1.5770894444099957
Energy: 1.6522053434020643
Energy: 1.5941419429724684
Energy: 1.5158545284755858
Energy: 1.6374410275785853
Energy: 1.7007102946054131
Energy: 1.7983500582062633
Energy: 1.567791117462622
Energy: 1.8378628874760234
Energy: 1.515854528474612
Energy: 1.6374410275857245
Energy: 1.7007102946044395
Energy: 1.7983500582088594
Energy: 1.443789028306395
Energy: 1.692606544643266
Energy: 1.5805284290167796
Energy: 1.8135073023079553
Energy: 1.628199587448552
Energy: 1.6472570571589435
Energy: 1.443789028306395
Energy: 1.6926065446448888
Energy: 1.5805284290193757
Energy: 1.81350730230471
Energy: 1.5534831350228353
Energy: 1.559784322509408
Energy: 1.6152953705939037
Energy: 1.6365877076065927
Energy: 1.8080300554629165
Energy: 1.4794040095708196
Energy: 1.5534831350205636
Energy: 1.5597843225116794
Energy: 1.615295370591632
Energy: 1.6365877076078907

minimum gb energy = 1.4400900460232338 eV
minimum distance =  2.2706028361343 Angstroms
sigma value = 437


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

Energy: 1.5596028074621255
Energy: 1.721811058242717
Energy: 1.53690148002238
Energy: 1.9576246699676685
Energy: 1.5366142052466418
Energy: 1.581602630881335
Energy: 1.559602807460943
Energy: 1.721811058242717
Energy: 1.5369014800211978
Energy: 1.8986739719239938
Energy: 1.5894361222937214
Energy: 1.881939271105412
Energy: 1.6309278211939948
Energy: 1.4800656816617053
Energy: 1.6212567677211829
Energy: 1.6480084957260293
Energy: 1.589436122292539
Energy: 1.8819392711042295
Energy: 1.630927821195177
Energy: 1.480065681660523
Energy: 1.5318404191457842
Energy: 1.5101237330512707
Energy: 1.8383075481462214
Energy: 1.5201590211885498
Energy: 1.9909646647243902
Energy: 1.5740518027199468
Energy: 1.531840419144602
Energy: 1.5101237330512707
Energy: 1.8383075481474036
Energy: 1.5201590211885498
Energy: 1.6954451951530762
Energy: 1.6430096658249356
Energy: 1.8268918576096147
Energy: 1.4436081070862126
Energy: 1.6665378627748377
Energy: 1.5701151887429
Energy: 1.6954451951542584
Energy: 1.6430096658237534
Energy: 1.8268918576096147
Energy: 1.4436081070850304
Energy: 1.6227372174028263
Energy: 1.6719004999250378
Energy: 1.5500961232480226
Energy: 1.698067326365665
Energy: 1.4736953429924902
Energy: 1.6823250055046053
Energy: 1.6227372174028263
Energy: 1.667283707758845
Energy: 1.5500961232492052
Energy: 1.6980673263692116
Energy: 1.6037834453240953
Energy: 1.6828048736355783
Energy: 1.5012621355928355
Energy: 1.6921459172008473
Energy: 1.6073364175852975
Energy: 1.6569147113408165
Energy: 1.603783445322913
Energy: 1.6828048736355783
Energy: 1.5012621355928355
Energy: 1.692145917199665
Energy: 1.8121345940476574
Energy: 1.5523314244693656
Energy: 1.717402066435741
Energy: 1.4567927466976316
Energy: 1.724026741271854
Energy: 1.5097741164944805
Energy: 1.8121345940464748
Energy: 1.5523314244693656
Energy: 1.7174020664369234
Energy: 1.4567927466976316
Energy: 1.6626864840068551
Energy: 1.5297839862329288
Energy: 1.7306461747456805
Energy: 1.4553399572882195
Energy: 1.8398296552145124
Energy: 1.6073232666488975
Energy: 1.6626864840068551
Energy: 1.5297839862329288
Energy: 1.7306461747456805
Energy: 1.4553399572882195
Energy: 1.588917858182024
Energy: 1.5977151957020164
Energy: 1.7495488040104346
Energy: 1.5579094837666814
Energy: 1.542745434277242
Energy: 1.644275735104374
Energy: 1.588917858182024
Energy: 1.5977151957020164
Energy: 1.749548804011617
Energy: 1.5579094837666814
Energy: 1.5984439695076382
Energy: 1.5790809704029438
Energy: 1.5295170193336791
Energy: 1.7177448063792842
Energy: 1.631504259936266
Energy: 1.8152299040289446
Energy: 1.5984439695076382
Energy: 1.5790809704017617
Energy: 1.5295170193348613
Energy: 1.7177448063792842
Energy: 1.6244004417083295
Energy: 1.557902319737375
Energy: 1.604090867611164
Energy: 1.450728418638555
Energy: 1.5341643350189689
Energy: 1.640690205377578
Energy: 1.624400441704783
Energy: 1.5579023197397392
Energy: 1.6040908676135288
Energy: 1.4507284186397371
Energy: 1.712685326816718
Energy: 1.5296701781043875
Energy: 1.8367554626065534
Energy: 1.519105633766735
Energy: 1.8370222167317334
Energy: 1.5296930572973233
Energy: 1.7126853268143536
Energy: 1.5296701781043875
Energy: 1.8367554626065534
Energy: 1.5191056337679172
Energy: 1.6218578021114847
Energy: 1.641392605563716
Energy: 1.534164335017787
Energy: 1.4514201776599007
Energy: 1.6034910276046885
Energy: 1.5651072988125756
Energy: 1.6218578021114847
Energy: 1.6413926055625339
Energy: 1.5341643350189689
Energy: 1.4514201776575362
Energy: 1.64286471486317
Energy: 1.8151865153836193
Energy: 1.6313919397326397
Energy: 1.7208892158971592
Energy: 1.5012734075097074
Energy: 1.579498043884107
Energy: 1.6428647148596232
Energy: 1.8151865153824367
Energy: 1.6313919397338221
Energy: 1.7208892158983413

minimum gb energy = 1.4436081070850304 eV
minimum distance =  2.29336970325548 Angstroms
sigma value = 33