Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6473073810338983
cohesive_energy=4.1514735882010125
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.015779351788047496
Energy: 0.016408647882989343
Energy: 1.408727494174362
Energy: 0.016408647883571267
Energy: 0.016408647882373187
Energy: 1.6107505127531512
Energy: 0.016408647882989343
Energy: 1.6107505127531512
Energy: 1.408727494174944
Energy: 0.016408647882989343
Energy: 0.01577935178743134
Energy: 0.016408647882989343
Energy: 0.016408647882989343
Energy: 1.6107505127525692
Energy: 0.016408647882989343
Energy: 1.6107505127525692

minimum gb energy = 0.01577935178743134 eV
minimum distance =  2.53457560189708 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.5710854878999838
Energy: 1.4090757514985237
Energy: 1.2215834454792813
Energy: 1.4090757514977768
Energy: 1.2458657817610455
Energy: 1.3480885400397788
Energy: 1.3448098725943
Energy: 1.3480885400420206
Energy: 1.2650759847974147
Energy: 1.39880844601002
Energy: 1.486920146431449
Energy: 1.3988084460092727
Energy: 1.321223273413372
Energy: 1.348239272531768
Energy: 1.3642962565511854
Energy: 1.348239272534757
Energy: 1.3231183971148806
Energy: 1.414124709707151
Energy: 1.3892837027454077
Energy: 1.414124709707151
Energy: 1.208153311379475
Energy: 1.6764963570915061
Energy: 1.2659025968999835
Energy: 1.6764963570922533
Energy: 1.356884643186472
Energy: 1.3980332044831847
Energy: 1.211210562346565
Energy: 1.398033204483932
Energy: 1.1572731672471683
Energy: 1.4171836222566236
Energy: 1.2280744470298592
Energy: 1.4171836222558765
Energy: 1.2249733346312195
Energy: 1.6431325741962401
Energy: 1.2502024315356148
Energy: 1.6431325741939982
Energy: 1.30718359399755
Energy: 1.397673679559612
Energy: 1.1440104334591474
Energy: 1.397673679560359
Energy: 1.2816662609395173
Energy: 1.3475629974222352
Energy: 1.2244409962048224
Energy: 1.347562997425224
Energy: 1.2867855003001294
Energy: 1.4168457660351435
Energy: 1.3296795513345474
Energy: 1.416845766036638
Energy: 1.3385363374899142
Energy: 1.395022879095859
Energy: 1.3567481971428053
Energy: 1.3950228790973533
Energy: 1.3276547556730158
Energy: 1.402997174737198
Energy: 1.2813878907360543
Energy: 1.4029971747379455
Energy: 1.4791257300267295
Energy: 1.4096468639304607
Energy: 1.246875704603418
Energy: 1.4096468639304607
Energy: 1.2449432463113763
Energy: 1.4097429239958261
Energy: 1.2543471724050148
Energy: 1.4097429239958261
Energy: 1.4865196722173002
Energy: 1.3989096398656584
Energy: 1.182748005468
Energy: 1.3989096398656584
Energy: 1.3496227029028816
Energy: 1.332839198153227
Energy: 1.3560030045768716
Energy: 1.332839198153227
Energy: 1.2034592964712847
Energy: 1.4140392027319622
Energy: 1.3346014205844623
Energy: 1.4140392027312152
Energy: 1.3550119311934339
Energy: 1.582447316297789
Energy: 1.2263924584533232
Energy: 1.5824473162955472
Energy: 1.2582576832185712
Energy: 1.3992796692101135
Energy: 1.2404183124290893
Energy: 1.3992796692123552
Energy: 1.225967826599723
Energy: 1.5962780083714319
Energy: 1.33509950266971
Energy: 1.596278008372179
Energy: 1.3272847320690253
Energy: 1.413747556936148
Energy: 1.1950724302512816
Energy: 1.413747556936148
Energy: 1.276994041795364
Energy: 1.3987284189942517
Energy: 1.2116022756663958
Energy: 1.3987284189949991
Energy: 1.3765996367873807
Energy: 1.6751975892324547
Energy: 1.356735392045277
Energy: 1.6751975892346964
Energy: 1.323949142672926
Energy: 1.4162981247661564
Energy: 1.184802211953616
Energy: 1.416298124767651
Energy: 1.2282681768898673
Energy: 1.6688958411069144
Energy: 1.2873502143252384
Energy: 1.66889584110542
Energy: 1.1858081993565914
Energy: 1.3953636645751593
Energy: 1.5353251804637384
Energy: 1.395363664577401
Energy: 1.245175249790748
Energy: 1.284365522142178
Energy: 1.2241720700397312
Energy: 1.284365522142178
Energy: 1.571150795596557
Energy: 1.4102815087385931
Energy: 1.2623110961174278
Energy: 1.4102815087385931
Energy: 1.246563502927931
Energy: 1.4026387538844554
Energy: 1.34489530436194
Energy: 1.4026387538822136
Energy: 1.2757141182309208
Energy: 1.394848801987729
Energy: 1.396171271084834
Energy: 1.3948488019862344
Energy: 1.3255943805660775
Energy: 1.5145274045237571
Energy: 1.2840404471162434
Energy: 1.5145274045319768

minimum gb energy = 1.1440104334591474 eV
minimum distance =  2.23870002614712 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.708695908997629
Energy: 1.517820656246536
Energy: 1.2805598925509576
Energy: 1.517820656246536
Energy: 1.31289694323508
Energy: 1.4310697803551349
Energy: 1.2989203780964278
Energy: 1.4310697803568388
Energy: 1.25932615175773
Energy: 1.556017381948218
Energy: 1.3607645869508311
Energy: 1.556017381948218
Energy: 1.4048114958512574
Energy: 1.2896506247330346
Energy: 1.2774015059660278
Energy: 1.2896506247279225
Energy: 1.4055773780005527
Energy: 1.4976557822914218
Energy: 1.3241761900328723
Energy: 1.4976557822914218
Energy: 1.3871334418174677
Energy: 1.4978781277092623
Energy: 1.313322754631105
Energy: 1.4978781277084101
Energy: 1.4354060688893389
Energy: 1.5625060084092526
Energy: 1.2655640278280123
Energy: 1.562506008410957
Energy: 1.2294664641008393
Energy: 1.5225048363155438
Energy: 1.3007200790638993
Energy: 1.5225048363163958
Energy: 1.2827548054263722
Energy: 1.312542640981061
Energy: 1.3069073996518181
Energy: 1.312542640981061
Energy: 1.4250278655973208
Energy: 1.5231190140603394
Energy: 1.2855143775379305
Energy: 1.5231190140603394
Energy: 1.4356142482691088
Energy: 1.4117373439740288
Energy: 1.295275442969392
Energy: 1.4117373439740288
Energy: 1.262000363616204
Energy: 1.505050795911612
Energy: 1.363663993341715
Energy: 1.505050795911612
Energy: 1.3320219575637635
Energy: 1.5294555939230223
Energy: 1.3752544694373747
Energy: 1.5294555939221703
Energy: 1.446672507135228
Energy: 1.5292728944332146
Energy: 1.2790503652638248
Energy: 1.5292728944332146
Energy: 1.2572789959574473
Energy: 1.5051729046679434
Energy: 1.4170406644022342
Energy: 1.5051729046679434
Energy: 1.4356001700078058
Energy: 1.4110934375766508
Energy: 1.2951363872064638
Energy: 1.4110934375766508
Energy: 1.4248710548621932
Energy: 1.522483563195172
Energy: 1.3090037155814314
Energy: 1.522483563195172
Energy: 1.2825363027960242
Energy: 1.3131368765543063
Energy: 1.3070889792329623
Energy: 1.3131368765551585
Energy: 1.229482392831616
Energy: 1.520999441683515
Energy: 1.3300650875926423
Energy: 1.520999441682663
Energy: 1.4353779363716748
Energy: 1.5544466152773255
Energy: 1.2808480193215055
Energy: 1.5544466152790297
Energy: 1.3866874851895008
Energy: 1.497542703881744
Energy: 1.3513743089686086
Energy: 1.497542703880892
Energy: 1.4050742371146288
Energy: 1.4974445163011392
Energy: 1.2981277512785054
Energy: 1.4974445163011392
Energy: 1.4048156397176446
Energy: 1.3140363809666946
Energy: 1.2649200481860883
Energy: 1.3140363809658424
Energy: 1.2592837194524602
Energy: 1.556072889202116
Energy: 1.6151198839224696
Energy: 1.556072889202116
Energy: 1.31284806028481
Energy: 1.43199767491791
Energy: 1.2987677562338111
Energy: 1.431997674902574
Energy: 1.708695908997629
Energy: 1.517820656245684
Energy: 1.282189399886413
Energy: 1.517820656245684
Energy: 1.3128969432333761
Energy: 1.4310697803542827
Energy: 1.2989203780955758
Energy: 1.431069780353431
Energy: 1.25932615175773
Energy: 1.556017381948218
Energy: 1.3607645869559433
Energy: 1.55601738194907
Energy: 1.4048114958521094
Energy: 1.2896506247372947
Energy: 1.2774015059668797
Energy: 1.2896506247355906

minimum gb energy = 1.2294664641008393 eV
minimum distance =  2.31783531113506 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.585243316670857
Energy: 1.611271399609273
Energy: 1.3686841923549475
Energy: 1.611271399609273
Energy: 1.4944633663245828
Energy: 1.4723091231743441
Energy: 1.340933284301298
Energy: 1.4723091231753347
Energy: 1.3604750485116703
Energy: 1.6551770071769625
Energy: 1.4698786334728526
Energy: 1.655177007177953
Energy: 1.3312100756080485
Energy: 1.394483180730905
Energy: 1.3465364810405887
Energy: 1.3944831807289242
Energy: 1.349924258150136
Energy: 1.6178417802997176
Energy: 1.3890658915471776
Energy: 1.6178417802977367
Energy: 1.587466973535691
Energy: 1.6542409746824718
Energy: 1.4125620826886849
Energy: 1.654240974680491
Energy: 1.5491003909879841
Energy: 1.6953073144949347
Energy: 1.3843504106121405
Energy: 1.6953073144929538
Energy: 1.456082691533074
Energy: 1.617425076121171
Energy: 1.3137897244584333
Energy: 1.617425076121171
Energy: 1.3924727515406852
Energy: 1.504083937352722
Energy: 1.548667489659338
Energy: 1.5040839373497508
Energy: 1.5364233096094846
Energy: 1.6544913821753278
Energy: 1.4171217602441604
Energy: 1.6544913821723566
Energy: 1.480949575228392
Energy: 1.6111788532177607
Energy: 1.39333795409437
Energy: 1.6111788532197413
Energy: 1.3605931192738756
Energy: 1.643857088304889
Energy: 1.393117591818008
Energy: 1.643857088304889
Energy: 1.4686212109683106
Energy: 1.5358990490272237
Energy: 1.3358376055430456
Energy: 1.5358990490272237
Energy: 1.3872985321939908
Energy: 1.5432898731907054
Energy: 1.4397156969945102
Energy: 1.5432898731907054
Energy: 1.3252166830275398
Energy: 1.619041029735284
Energy: 1.3294123119772865
Energy: 1.619041029735284
Energy: 1.3753803828416302
Energy: 1.8262383084112943
Energy: 1.3535928063217328
Energy: 1.8262383084122844
Energy: 1.2918023337372648
Energy: 1.6565778983712485
Energy: 1.313680724220826
Energy: 1.656577898372239
Energy: 1.3513512765490086
Energy: 1.5135258588687146
Energy: 1.352931674406381
Energy: 1.513525858867724
Energy: 1.4567926577662749
Energy: 1.4062760212777974
Energy: 1.3512705117399926
Energy: 1.4062775053994958
Energy: 1.4842720581572921
Energy: 1.6540639401201298
Energy: 1.477643205459031
Energy: 1.6540639401191395
Energy: 1.4771126878247685
Energy: 1.5089554549893605
Energy: 1.3420081795584256
Energy: 1.5089554549913413
Energy: 1.5885474837643452
Energy: 1.6135466352357715
Energy: 1.4520399864809619
Energy: 1.613546635236762
Energy: 1.400938754503821
Energy: 1.550251502335338
Energy: 1.422605079330878
Energy: 1.550251502337319
Energy: 1.3554251802387427
Energy: 1.6562958876307068
Energy: 1.5363555479463382
Energy: 1.6562958876307068
Energy: 1.4553434840273376
Energy: 1.3669781845902784
Energy: 1.3475206769920411
Energy: 1.3669781845823548

minimum gb energy = 1.2918023337372648 eV
minimum distance =  2.2499862499572 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.7522750199932016
Energy: 1.7619841577792041
Energy: 1.475969712752579
Energy: 1.7619841577792041
Energy: 1.6163411571995103
Energy: 1.5655186369816299
Energy: 1.5455111043379424
Energy: 1.5655186369828114
Energy: 1.4548285078679335
Energy: 1.6754249635866925
Energy: 1.452572741455797
Energy: 1.6754249635902372
Energy: 1.6177766295915037
Energy: 1.6566830185999322
Energy: 1.4418769066986703
Energy: 1.6566830185975692
Energy: 1.6267347663236944
Energy: 1.6318889641979057
Energy: 1.5491752622468418
Energy: 1.6318889641979057
Energy: 1.382157225944126
Energy: 1.6878640625189543
Energy: 1.5153584482466649
Energy: 1.6878640625189543
Energy: 1.567860808650098
Energy: 1.4410076304118409
Energy: 1.444563122060552
Energy: 1.4410076304118409
Energy: 1.4589655508836992
Energy: 1.6746843335259112
Energy: 1.4311075144079408
Energy: 1.674684333523548
Energy: 1.5758306911839643
Energy: 1.6384179502478795
Energy: 1.551506569731011
Energy: 1.638417950249061
Energy: 1.6410085504719478
Energy: 1.702083118886486
Energy: 1.5155881720861577
Energy: 1.702083118886486
Energy: 1.4269026693677422
Energy: 1.7486958046607772
Energy: 1.4731920154077147
Energy: 1.7486958046607772
Energy: 1.6168414010009429
Energy: 1.6691081554135982
Energy: 1.4334472759142347
Energy: 1.6691081554135982
Energy: 1.4077817026185098
Energy: 1.7801976878824983
Energy: 1.3799427040400383
Energy: 1.7801976878824983
Energy: 1.4975599735226266
Energy: 1.4693336363407663
Energy: 1.6055392780636664
Energy: 1.4693336363407663
Energy: 1.3848648908551573
Energy: 1.7800717589603725
Energy: 1.501069200339937
Energy: 1.7800717589603725
Energy: 1.6172042749056952
Energy: 1.6690317720240393
Energy: 1.4413415736283204
Energy: 1.669031772022858
Energy: 1.4272417007492118
Energy: 1.7484589712247862
Energy: 1.4527473415582883
Energy: 1.7484589712247862
Energy: 1.633489082101788
Energy: 1.52657382126483
Energy: 1.515596588074173
Energy: 1.526573821682902
Energy: 1.5731018098142295
Energy: 1.637194439223809
Energy: 1.5042079709085139
Energy: 1.637194439223809
Energy: 1.4589898852627792
Energy: 1.707794377651874
Energy: 1.431176338783258
Energy: 1.707794377651874
Energy: 1.4644891230901373
Energy: 1.4409658598110384
Energy: 1.4446463819928177
Energy: 1.4409658598110384

minimum gb energy = 1.3799427040400383 eV
minimum distance =  2.36745309424558 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.5275194442503766
Energy: 1.8169471215739477
Energy: 1.502187216617801
Energy: 1.8169471215739477
Energy: 1.548220783979052
Energy: 1.7593536680317592
Energy: 1.4398615473686007
Energy: 1.7593536680317592
Energy: 1.621663402755375
Energy: 2.060728054847276
Energy: 1.41490662405299
Energy: 2.060728054848738
Energy: 1.685705007777234
Energy: 1.8042460689449482
Energy: 1.6261685571699713
Energy: 1.8042460689434872
Energy: 1.6284680868343266
Energy: 1.547136268732625
Energy: 1.395477127102504
Energy: 1.5471362687311638
Energy: 1.3996359539155434
Energy: 1.600852182820283
Energy: 1.6233190185400945
Energy: 1.6008485616430141
Energy: 1.5531454294051736
Energy: 1.6346460182528233
Energy: 1.538139347429159
Energy: 1.6346460182542843
Energy: 1.6236641594903243
Energy: 1.8184554006270008
Energy: 1.5434223198232713
Energy: 1.8184554006270008
Energy: 1.3985477967887934
Energy: 1.4869860616334913
Energy: 1.5476597580758773
Energy: 1.4869860616028394
Energy: 1.7217710299240265
Energy: 1.702300697326949
Energy: 1.4953000790110162
Energy: 1.7023006973284103
Energy: 1.402409870464669
Energy: 1.816331272395205
Energy: 1.6983492100963289
Energy: 1.8163312723966663
Energy: 1.4222641644816076
Energy: 2.1950181206681405
Energy: 1.8336290723918047
Energy: 2.1950181206681405
Energy: 1.5827520971512938
Energy: 1.912106407194101
Energy: 1.5312097106206222
Energy: 1.912106407194101
Energy: 1.547585581877041
Energy: 1.5712567996881819
Energy: 1.7069238759784349
Energy: 1.5712567997013325
Energy: 1.5577026493545805
Energy: 1.906876469067069
Energy: 1.606498269100904
Energy: 1.9068764690685303
Energy: 1.4237106139239655
Energy: 1.856386081110907
Energy: 1.506369103437952
Energy: 1.8563860811123685
Energy: 1.4141257799850366
Energy: 1.5135889628867576
Energy: 1.6593564019803575
Energy: 1.5135891873155567

minimum gb energy = 1.395477127102504 eV
minimum distance =  2.33969116921453 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.5605226169533126
Energy: 2.073237232235852
Energy: 1.6479531309386217
Energy: 2.0732372322366794
Energy: 1.6894601289246727
Energy: 1.5468809631261842
Energy: 1.3955612189786195
Energy: 1.5468809631261842
Energy: 1.7474689812260797
Energy: 1.8088650866946068
Energy: 1.4440957661271203
Energy: 1.8088650866946068
Energy: 1.5319315504369986
Energy: 1.6782284411456974
Energy: 1.5947416756393633
Energy: 1.6782284411614206
Energy: 1.7424702104612775
Energy: 1.7449112100309894
Energy: 1.6408701529797596
Energy: 1.7449112100301618
Energy: 1.4785141318888149
Energy: 1.5796488620629476
Energy: 1.63103984137928
Energy: 1.5796488620612923
Energy: 1.4998193803412951
Energy: 1.6200125251772113
Energy: 1.4848967202522507
Energy: 1.6200125251772113
Energy: 1.6554296482537536
Energy: 1.710712050620577
Energy: 1.4614892470119238
Energy: 1.7107120506172666
Energy: 1.597350888789297
Energy: 2.0285191273546257
Energy: 1.7715809653993646
Energy: 2.0285191273546257
Energy: 1.822372180752263
Energy: 1.907343639591047
Energy: 1.4744018048000294
Energy: 1.9073436395902192
Energy: 1.4589159640828808
Energy: 1.914469607518298
Energy: 1.7869751489364816
Energy: 1.9144696075307115
Energy: 1.4939126798252893
Energy: 1.6017844784717192
Energy: 1.5138036755492636
Energy: 1.6017844784725468
Energy: 1.8047156258034658
Energy: 1.6568212137385032
Energy: 1.6478365048310495
Energy: 1.6568212137385032
Energy: 1.4445205268791304
Energy: 1.8133444605238844
Energy: 1.6841040388213067
Energy: 1.813344460425444
Energy: 1.6834581202687593
Energy: 1.726217352141358
Energy: 1.4950280034036205
Energy: 1.7262173521438404
Energy: 1.6030511915934496
Energy: 1.836306783824336
Energy: 1.5200405257506888
Energy: 1.836306783828474
Energy: 1.6153992834286544
Energy: 1.6094925293284472
Energy: 1.800931738012156
Energy: 1.6094925293284472
Energy: 1.6528924298224525
Energy: 1.7819860960446179
Energy: 1.4777382868671618
Energy: 1.7819860963548342
Energy: 1.5843367031826803
Energy: 1.8296551871955449
Energy: 1.6388501424209678
Energy: 1.8296551871955449
Energy: 1.554027338643978
Energy: 1.758322205285598
Energy: 1.494606916627237
Energy: 1.7583222052872534
Energy: 1.5003771481573973
Energy: 1.8789374342356064
Energy: 1.6722149533727386
Energy: 1.8789374342356064
Energy: 1.4982766372735072
Energy: 1.8474938514596526
Energy: 1.8132574551933345
Energy: 1.8474938514646178
Energy: 1.6048112101024739
Energy: 2.056858173256736
Energy: 1.4587492717004003
Energy: 2.056858173256736
Energy: 1.5870912011142868
Energy: 1.7439984789709775
Energy: 1.7072480741717528
Energy: 1.7439984789759426
Energy: 1.616677722085213
Energy: 1.9911253225860757
Energy: 1.7369854916782697
Energy: 1.9911253225827652
Energy: 1.706630385207088
Energy: 1.9995506821398223
Energy: 1.4501617710550405
Energy: 1.99955068214065
Energy: 1.496241270470596
Energy: 1.9901257035696882
Energy: 1.9070844957933353
Energy: 1.9901257035672053
Energy: 1.5848179648645278
Energy: 1.638291745895474
Energy: 1.7021351567229182
Energy: 1.638291745882271
Energy: 1.8475643947389204
Energy: 1.7069836792449546
Energy: 1.4931049335730138
Energy: 1.7069836792449546
Energy: 1.474436591327102
Energy: 1.8586392280991701
Energy: 1.6418637787212538
Energy: 1.8586392281016526

minimum gb energy = 1.3955612189786195 eV
minimum distance =  2.24497606142945 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.282199648183997
Energy: 1.2800833001314131
Energy: 1.7095705390943823
Energy: 1.2800833001314131
Energy: 1.6270546479577552
Energy: 1.4340777599928733
Energy: 1.5684998325615307
Energy: 1.4340691604776052
Energy: 1.303649995553382
Energy: 1.6949040409139302
Energy: 1.5275020997945883
Energy: 1.6949040409120248
Energy: 1.3544040714294283
Energy: 1.6953655204756923
Energy: 1.4611336666744792
Energy: 1.6953655204756923
Energy: 1.6271892507338983
Energy: 1.4348536774331866
Energy: 1.8065431316489873
Energy: 1.4348614376011204
Energy: 1.282199648183997
Energy: 1.2800833001314131
Energy: 1.6920065719151574
Energy: 1.2800833001314131
Energy: 1.6270546479577552
Energy: 1.433676101571752
Energy: 1.467616683382987
Energy: 1.4336757178409263
Energy: 1.3036499955514766
Energy: 1.6949040409120248
Energy: 1.5275020978464848
Energy: 1.6949040409139302
Energy: 1.3544040714313335
Energy: 1.6953655204756923
Energy: 1.5384986690329754
Energy: 1.6953655204756923
Energy: 1.6271892507281827
Energy: 1.4346237319171171
Energy: 1.68431534484677
Energy: 1.4346226322226943
Energy: 1.2821996481859022
Energy: 1.280083300129508
Energy: 1.69200821139636
Energy: 1.280083300129508
Energy: 1.6270546479577552
Energy: 1.4336419263182365
Energy: 1.5029699367573992
Energy: 1.4336420754729533
Energy: 1.303649995553382
Energy: 1.6949040409120248
Energy: 1.5275020978046145
Energy: 1.6949040409120248

minimum gb energy = 1.280083300129508 eV
minimum distance =  2.27993456684918 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.4333076774955242
Energy: 2.148918962652349
Energy: 1.7509176081536304
Energy: 2.148918962651644
Energy: 1.881478552731756
Energy: 1.5543121639076043
Energy: 1.6144554883845041
Energy: 1.554312163906899
Energy: 1.5866887445045645
Energy: 1.7565326939203472
Energy: 1.641973436658454
Energy: 1.75653269404227
Energy: 1.5840576035759146
Energy: 1.9877669735733907
Energy: 1.6306617980607707
Energy: 1.987766973575506
Energy: 1.8690088505511555
Energy: 1.493489613973492
Energy: 1.5361811658198938
Energy: 1.4934896139770175
Energy: 1.4149377282347162
Energy: 1.414526348449266
Energy: 1.5261397210656062
Energy: 1.4145263484450352
Energy: 1.8984269221154957
Energy: 2.060964154286516
Energy: 1.446652363841455
Energy: 2.0609641542879262
Energy: 1.5164254841263436
Energy: 2.058146822409806
Energy: 1.7573995731628538
Energy: 2.0581468224112167
Energy: 1.4679028663551883
Energy: 1.9979979264157128
Energy: 1.5139289687718447
Energy: 1.9979979264143022
Energy: 1.4664153807345068
Energy: 1.496058905089523
Energy: 1.446310307533356
Energy: 1.496058905089523
Energy: 1.4449932833736543
Energy: 1.9729046551371872
Energy: 1.8013521444118812
Energy: 1.9729046551385974
Energy: 1.699936271259192
Energy: 2.0338179665020677
Energy: 1.4960276734620517
Energy: 2.0338179665006573
Energy: 1.3955244852556055
Energy: 1.6831556092026363
Energy: 1.8079758875428034
Energy: 1.6831556093090465
Energy: 1.7257430355547354
Energy: 1.9515189965522837
Energy: 1.5209186926712663
Energy: 1.9515189965529889
Energy: 1.453900613959651
Energy: 1.6709349981591262
Energy: 1.6637149126797273
Energy: 1.6709349981577157
Energy: 1.4404021767718234
Energy: 1.7898149806539196
Energy: 1.5649515256168773
Energy: 1.7898149806461634
Energy: 1.5991044997977144
Energy: 1.676310278787067
Energy: 1.4736427292360488
Energy: 1.676310278787067
Energy: 1.4473586291158105
Energy: 1.4857995513085105
Energy: 1.9102186370093635
Energy: 1.4857995513183824
Energy: 1.8177545176097998
Energy: 1.8197311918241783
Energy: 1.4174020252310249
Energy: 1.8197311918248835
Energy: 1.4590693889770021
Energy: 1.520865721886267
Energy: 1.6665610199091618
Energy: 1.5208657218848565
Energy: 1.6830023082095034
Energy: 1.9177456295697162
Energy: 1.6786168096919512
Energy: 1.9177456295704214
Energy: 1.676264300297657
Energy: 1.5437547872282562
Energy: 1.4613222197187499
Energy: 1.5437547872268458
Energy: 1.5435537345853303
Energy: 1.8189977584900752
Energy: 1.4263794866869837
Energy: 1.8189977584900752
Energy: 1.8551020717407873
Energy: 2.143198037047089
Energy: 1.464383139132395
Energy: 2.1431980370484993
Energy: 1.4446745609026657
Energy: 2.010777126328399
Energy: 1.8446753237037516
Energy: 2.0107771263312197
Energy: 1.6177296131372663
Energy: 1.6563866527198372
Energy: 1.4317403162747915
Energy: 1.6563866527191318
Energy: 1.6857993033441356
Energy: 1.8290731371282027
Energy: 1.6753019156296027
Energy: 1.8290731371303182
Energy: 1.600514847323937
Energy: 1.9689459172703059
Energy: 1.663347802552074
Energy: 1.9689459172710109
Energy: 1.6667242851148447
Energy: 1.652426339500421
Energy: 1.4297955205929593
Energy: 1.652426339500421
Energy: 1.4875439968935713
Energy: 2.0312276206983197
Energy: 1.8422353272117493
Energy: 2.031227620696204
Energy: 1.7615039632604104
Energy: 2.1465896003923146
Energy: 1.456967104990554
Energy: 2.14658960039161
Energy: 1.5716037288829539
Energy: 1.5582579345899163
Energy: 1.4986515656719532
Energy: 1.5582579345870962
Energy: 1.566030496894601
Energy: 1.608457898927095
Energy: 1.467236566494347
Energy: 1.6084578989292104
Energy: 1.7367817950152875
Energy: 1.9185379946174161
Energy: 1.6279084223212335
Energy: 1.9185379946153007
Energy: 1.557538728504705
Energy: 1.774720278364196
Energy: 1.9274834982045608
Energy: 1.7747202783634906

minimum gb energy = 1.3955244852556055 eV
minimum distance =  2.30186809921833 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.443361172493183
Energy: 1.4415413853074044
Energy: 1.7432635899158793
Energy: 1.4415413852738421
Energy: 1.6873023586630083
Energy: 2.0142231575497704
Energy: 1.6324989361793887
Energy: 2.0142231575508895
Energy: 1.5544400750151461
Energy: 1.9595391330283674
Energy: 1.6150438691141347
Energy: 1.9595391330283674
Energy: 1.4544395007683886
Energy: 1.6072224475725085
Energy: 1.6726615836409562
Energy: 1.6072224475725085
Energy: 1.527010348112227
Energy: 1.5486466648699124
Energy: 1.4914106641871812
Energy: 1.5486466648687938
Energy: 1.490938979646712
Energy: 1.5631046220912443
Energy: 1.7780931339332735
Energy: 1.5631046220912443
Energy: 1.8604598470605032
Energy: 1.755720516469671
Energy: 1.4868503690235804
Energy: 1.7557205164674332
Energy: 1.466688108589786
Energy: 1.733780340293585
Energy: 1.8826355929530048
Energy: 1.7337803402991787
Energy: 1.772449685986421
Energy: 1.4422497500383764
Energy: 1.4414111907392644
Energy: 1.442249749967921
Energy: 1.488237742724596
Energy: 1.551703418037503
Energy: 1.5017719596121275
Energy: 1.5517034180430966
Energy: 1.564137186783639
Energy: 1.8505198969124121
Energy: 1.6699371095150168
Energy: 1.85051989691465
Energy: 1.7441551020668449
Energy: 1.6219624794946061
Energy: 1.4663754273894298
Energy: 1.6219624794946061
Energy: 1.6146697214167773
Energy: 1.534876783386797
Energy: 1.8378032299276905
Energy: 1.534876783386797
Energy: 1.8591315461609008
Energy: 1.535882593014945
Energy: 1.5048296138212245
Energy: 1.5358825929970452
Energy: 1.4325572804825064
Energy: 1.9541045225146028
Energy: 1.7435930572076404
Energy: 1.9541045225146028
Energy: 1.7830784632113574
Energy: 1.8501449824470237
Energy: 1.4058917942862479
Energy: 1.8501449824481424
Energy: 1.544622521255233
Energy: 1.5131310629614487
Energy: 1.49174828377118
Energy: 1.5131310629390993
Energy: 1.5453784408927134
Energy: 1.545422972606166
Energy: 1.525271013680847
Energy: 1.5454229726028097
Energy: 1.6500397943651286
Energy: 1.9320268773687792
Energy: 1.4643112610752744
Energy: 1.9320268773676605
Energy: 1.5799863824853697
Energy: 1.9530449766225682
Energy: 1.939534576696748
Energy: 1.9530449766225682
Energy: 1.8575165339704334
Energy: 1.5171906902702228
Energy: 1.4913046327525188
Energy: 1.5171906902702228
Energy: 1.6811557351416724
Energy: 1.6504477943369644
Energy: 1.8720359155804893
Energy: 1.6504477943369644

minimum gb energy = 1.4058917942862479 eV
minimum distance =  2.27211045284693 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.4949683839861279
Energy: 1.497630574401843
Energy: 1.8194317617707847
Energy: 1.4976305743978877
Energy: 1.8164509313086104
Energy: 1.9406978753839643
Energy: 1.5577089942395248
Energy: 1.9406978754005768
Energy: 1.6095538964011653
Energy: 1.763673388691085
Energy: 1.654209994073035
Energy: 1.763673388711653
Energy: 1.4894467770523252
Energy: 1.690621132260729
Energy: 1.518534162276835
Energy: 1.6906211322638935
Energy: 1.4560678510326528
Energy: 1.5701733404021025
Energy: 1.4783642139227708
Energy: 1.5701733404005203
Energy: 1.4922113421402747
Energy: 1.6667436206478874
Energy: 1.729532475037404
Energy: 1.666743620651052
Energy: 1.778506626223273
Energy: 2.0685639323386034
Energy: 1.4496940567704482
Energy: 2.068563932340976
Energy: 1.4874164807307446
Energy: 1.6672164874632849
Energy: 1.9764697728150862
Energy: 1.6672164873952888
Energy: 1.9477428771557352
Energy: 1.5653181862343266
Energy: 1.5670368648537911
Energy: 1.5653181862351175
Energy: 1.4598937337945672
Energy: 1.577315641039192
Energy: 1.6525805670402502
Energy: 1.577315639840468
Energy: 1.6553518056891416
Energy: 1.8341820967834153
Energy: 1.450156111379149
Energy: 1.8341820967834153
Energy: 1.4998228233173028
Energy: 1.5896489156272848
Energy: 1.5588365518482024
Energy: 1.5896489156257025
Energy: 1.5785858386175202
Energy: 1.568428415996133
Energy: 1.5035086728478482
Energy: 1.5684284160000526
Energy: 1.6941212300235016
Energy: 1.7409017872440857
Energy: 1.445993767453271
Energy: 1.7409017868257892
Energy: 1.4462316623656986
Energy: 1.716599719398763
Energy: 1.7829435429123184
Energy: 1.716599719400345
Energy: 1.8394806362848355
Energy: 1.4818171267741278
Energy: 1.4983348017086866
Energy: 1.4818171267741278
Energy: 1.5029867523375409
Energy: 1.6384080129696759
Energy: 1.6120038397413112
Energy: 1.638408012972049
Energy: 1.6059812663112543
Energy: 1.823832444655198
Energy: 1.4971482470314565
Energy: 1.8238324446528607
Energy: 1.5017210372270595
Energy: 1.693790573411089
Energy: 1.5043821960555726
Energy: 1.693790584095293
Energy: 1.4563051003650878
Energy: 1.5325136942664421
Energy: 1.504234797716257
Energy: 1.532513694265651
Energy: 1.5004068683363705
Energy: 1.8145190904383628
Energy: 1.5195768544449086
Energy: 1.8145190904249147
Energy: 1.6334934318454677
Energy: 1.7534004779498864
Energy: 1.7466425928189564
Energy: 1.7534004779514687
Energy: 1.8265430516203007
Energy: 1.9446261838771046
Energy: 1.4651345124387327
Energy: 1.944626183878687
Energy: 1.5003931297802067
Energy: 1.4957688618086535
Energy: 1.923118094532273
Energy: 1.4957688630445585
Energy: 1.5310768683791511
Energy: 1.569466267326509
Energy: 1.5152971295722013
Energy: 1.569466267325718
Energy: 1.4443472568389322
Energy: 1.7533225725323365
Energy: 1.660616876949937
Energy: 1.7533225725339188
Energy: 1.594129727884941
Energy: 1.6708448461171916
Energy: 1.5620941458598117
Energy: 1.6708448461164005
Energy: 1.4539686074886082
Energy: 1.6206983403983628
Energy: 1.5161854725622033
Energy: 1.6206983403983628
Energy: 1.482600838452782
Energy: 1.667211473737928
Energy: 1.705945840949677
Energy: 1.667211471884485
Energy: 1.7709533953453223
Energy: 1.7555063535909607
Energy: 1.511716261299783
Energy: 1.7555063535822588
Energy: 1.4826033717441165
Energy: 1.7127931479527898
Energy: 1.762639405761594
Energy: 1.712793147831792

minimum gb energy = 1.4443472568389322 eV
minimum distance =  2.29112501715166 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.355323310628431
Energy: 1.9919882554110793
Energy: 1.592545586958238
Energy: 1.9919882554110793
Energy: 1.6731479534343383
Energy: 1.837998079403541
Energy: 1.8000415670733256
Energy: 1.8379980794030208
Energy: 1.3202557913608588
Energy: 1.571934098687542
Energy: 1.471121075090283
Energy: 1.571934098687542
Energy: 1.5098994479623842
Energy: 1.7440403007410665
Energy: 1.7992109879951703
Energy: 1.7440403007416174
Energy: 1.4436872354195716
Energy: 1.7445809283535794
Energy: 1.470874860939
Energy: 1.7445809283533036
Energy: 1.253520038527312
Energy: 1.573811486099052
Energy: 1.2667718152808316
Energy: 1.573811486099052
Energy: 1.4625241498389618
Energy: 1.7443363950616029
Energy: 1.4370994512059831
Energy: 1.7443363950613582
Energy: 1.7992937742586894
Energy: 1.7441355810235744
Energy: 1.509879491277544
Energy: 1.7441355810219825
Energy: 1.5919949942982972
Energy: 1.5720752141230905
Energy: 1.2507176497254349
Energy: 1.5720752141233658

minimum gb energy = 1.2507176497254349 eV
minimum distance =  2.36085558592056 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.4425941354168526
Energy: 1.5889818349783127
Energy: 1.7588964435729164
Energy: 1.5889818349925107
Energy: 1.9159153619490972
Energy: 1.8852089052267713
Energy: 1.4132886201163282
Energy: 1.885208905229013
Energy: 1.396137262926095
Energy: 1.8604499935368883
Energy: 1.755377933661861
Energy: 1.8604499935361412
Energy: 1.3840709395650486
Energy: 1.61366445864187
Energy: 1.4834882614247888
Energy: 1.6136644586411224
Energy: 1.4017786188560102
Energy: 1.731544717680428
Energy: 1.6956051864653643
Energy: 1.7315447178364698
Energy: 1.3914040873853786
Energy: 1.5874789808735754
Energy: 1.4689812389223003
Energy: 1.587478980869839
Energy: 1.4487728090259009
Energy: 1.5061503287689424
Energy: 1.3830180016662244
Energy: 1.5061503287674478
Energy: 1.396141885315078
Energy: 1.5265827857186607
Energy: 1.4736354538919543
Energy: 1.526582785714177
Energy: 1.4801071255072598
Energy: 1.803270556013007
Energy: 1.3637094610479994
Energy: 1.803270558899883
Energy: 1.4244259884650137
Energy: 1.487437139194983
Energy: 1.5358965265523363
Energy: 1.4874371391964774
Energy: 1.3319550090975896
Energy: 1.8038918104032546
Energy: 1.387274786206857
Energy: 1.8038918104047492
Energy: 1.4191843114206193
Energy: 1.8505674038160094
Energy: 1.6088067326350757
Energy: 1.8505674038167563
Energy: 1.381669980751306
Energy: 1.4328903814718248
Energy: 1.4367928743202019
Energy: 1.4328903814710776
Energy: 1.4138263632636194
Energy: 1.7220355419616873
Energy: 1.5647814331556396
Energy: 1.7220355419616873
Energy: 1.8577288450321197
Energy: 1.9864740141435686
Energy: 1.3865565112995055
Energy: 1.9864740141435686
Energy: 1.419634196253223
Energy: 1.560085922059569
Energy: 1.898519534274502
Energy: 1.5600859222194152
Energy: 1.7855629949127698
Energy: 1.7466530585660085
Energy: 1.3798645016389053
Energy: 1.746653058567503
Energy: 1.4141493344451885
Energy: 1.5905399399178588
Energy: 1.7788950055375046
Energy: 1.5905399399186062
Energy: 1.5011576641603954
Energy: 1.5080354053179266
Energy: 1.4713646199666315
Energy: 1.5080354053179266
Energy: 1.5002801563009114
Energy: 1.8196962657231663
Energy: 1.5118410759592922
Energy: 1.8196962657239137
Energy: 1.3439977357184827
Energy: 1.7365581942793697
Energy: 1.4838099010551213
Energy: 1.7365581942763806
Energy: 1.4265551651243173
Energy: 1.4945454365018143
Energy: 1.4230856461387373
Energy: 1.4945454365010669
Energy: 1.3939659503256243
Energy: 1.753954537687471
Energy: 1.3674436760513269
Energy: 1.7539545376882184
Energy: 1.658196913214311
Energy: 1.5976067159961296
Energy: 1.3897681839089966
Energy: 1.5976067072562918
Energy: 1.6925291876950634
Energy: 1.6732915061470766
Energy: 1.466738483948163
Energy: 1.673291506120175
Energy: 1.5342090120174592
Energy: 1.7731075223190573
Energy: 1.4157542152214615
Energy: 1.7731075223145736
Energy: 1.4024303396342372
Energy: 1.7344121775808214
Energy: 1.5254990527441514
Energy: 1.7344121775785797
Energy: 1.6712234617303134
Energy: 1.4531907605728636
Energy: 1.4158081058225458
Energy: 1.4531907605758525
Energy: 1.3793868680719235
Energy: 2.036641999343625
Energy: 1.796922964791363
Energy: 2.036641999343625
Energy: 1.9186023753257755
Energy: 1.589262534993139
Energy: 1.4133357433288942
Energy: 1.589262534993139
Energy: 1.404126614687084
Energy: 1.4214221789911563
Energy: 1.749312541836652
Energy: 1.421422178990409
Energy: 1.79423263979654
Energy: 1.7946011271341487
Energy: 1.41429645120143
Energy: 1.7946011271348958
Energy: 1.4242592886006715
Energy: 1.7964633120032014
Energy: 1.3375100444964116
Energy: 1.796463312018894

minimum gb energy = 1.3319550090975896 eV
minimum distance =  2.20587321451448 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.3608399493318954
Energy: 1.3596254569622839
Energy: 1.5510267230926384
Energy: 1.3596254569643504
Energy: 1.7572290417063152
Energy: 2.058295047066931
Energy: 1.357335972494277
Energy: 2.0582950471010273
Energy: 1.330703129295
Energy: 1.5803345355220864
Energy: 1.9233446189798447
Energy: 1.580334535521053
Energy: 1.5902819911149157
Energy: 1.4396829190278504
Energy: 1.340221807665863
Energy: 1.4396829190278504
Energy: 1.3051499319953461
Energy: 1.787866283898925
Energy: 1.7444203792942026
Energy: 1.7878662839009913
Energy: 1.4792694441697782
Energy: 1.7260664159328618
Energy: 1.339834681176734
Energy: 1.7260664159287291
Energy: 1.3271718655678988
Energy: 1.474877346507046
Energy: 1.3541253190467966
Energy: 1.474877346507046
Energy: 1.2920145444310716
Energy: 1.762695162206167
Energy: 1.3493190062011673
Energy: 1.762695162205134
Energy: 1.524952875619587
Energy: 1.363719202093519
Energy: 1.3196981563313825
Energy: 1.363719202093519
Energy: 1.5247820388114206
Energy: 1.3636728422598126
Energy: 1.3330496047142897
Energy: 1.3636728422598126
Energy: 1.28600820771458
Energy: 1.5761808344485064
Energy: 1.320383778236999
Energy: 1.5761808377739972
Energy: 1.3216793288538227
Energy: 1.4746832118476814
Energy: 1.3546088636938767
Energy: 1.4746832118476814
Energy: 1.479603133642232
Energy: 1.8200244451002336
Energy: 1.3398016213668833
Energy: 1.820024445101267
Energy: 1.3040034651144097
Energy: 1.7871561745100613
Energy: 1.6486468302359953
Energy: 1.7871561745100613
Energy: 1.592403476620048
Energy: 1.4397498016362502
Energy: 1.3399618434018272
Energy: 1.4397498016362502
Energy: 1.3306930255472813
Energy: 1.5801625968525876
Energy: 1.8132863792183842
Energy: 1.5801625968525876
Energy: 1.543383477801482
Energy: 2.067268583876589
Energy: 1.3574280975367865
Energy: 2.067268583876589
Energy: 1.3608399493287957
Energy: 1.3596254569653838
Energy: 1.551022891693019
Energy: 1.359625456963317
Energy: 1.7572290416980496
Energy: 2.0582950473963852
Energy: 1.3573359724932437
Energy: 2.0582950473436914
Energy: 1.330703129295
Energy: 1.5803345355231193
Energy: 1.9233446189788113
Energy: 1.5803345355231193
Energy: 1.5902819911138824
Energy: 1.4396829190278504
Energy: 1.3402218076679295
Energy: 1.4396829190278504
Energy: 1.3051499319922466
Energy: 1.7878662838937587
Energy: 1.7444203792890363
Energy: 1.7878662838937587
Energy: 1.4792694441697782
Energy: 1.7260664161032953
Energy: 1.339834681176734
Energy: 1.7260664160671326
Energy: 1.3271718655678988
Energy: 1.474877346507046
Energy: 1.3541253186161344
Energy: 1.474877346507046

minimum gb energy = 1.28600820771458 eV
minimum distance =  2.32392927874178 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.3309984061087632
Energy: 1.3303467246228835
Energy: 1.7474246613970172
Energy: 1.3303467246228835
Energy: 1.3731028571260282
Energy: 1.5798260147221919
Energy: 1.3194043534984943
Energy: 1.5798260147215533
Energy: 1.308045991695144
Energy: 1.4581112207689209
Energy: 1.6615702018847553
Energy: 1.458111220771475
Energy: 1.5370666848143275
Energy: 1.5223303361799239
Energy: 1.294467746108332
Energy: 1.5223303311537877
Energy: 1.277574300601396
Energy: 1.8923365779253427
Energy: 1.6667413508589652
Energy: 1.8923365779259813
Energy: 1.287792877818293
Energy: 1.9192742262363114
Energy: 1.317348455560881
Energy: 1.919274226233757
Energy: 1.3136288857289218
Energy: 1.6429267380307826
Energy: 1.3615949802836531
Energy: 1.6429267380307826
Energy: 1.2965287337110747
Energy: 1.6480906873868864
Energy: 1.30743176881682
Energy: 1.6480906873824162
Energy: 1.4373124011911926
Energy: 1.7308597922019524
Energy: 1.3395659828296649
Energy: 1.7308597922013138
Energy: 1.4368446119119063
Energy: 1.8872261372375163
Energy: 1.3115606936816473
Energy: 1.8872261372451795
Energy: 1.31509235545853
Energy: 1.7701866295093678
Energy: 1.296952009690541
Energy: 1.7701866295068132
Energy: 1.3146788454681286
Energy: 1.3790667927640154
Energy: 1.3094839084617718
Energy: 1.379066792764654
Energy: 1.2945237914082268
Energy: 1.8505246609550956
Energy: 1.3150801439848174
Energy: 1.8505246609416848
Energy: 1.30726605310402
Energy: 1.7450269545818782
Energy: 1.4704584602707527
Energy: 1.7450269545844326
Energy: 1.3579065205137182
Energy: 1.775681411419242
Energy: 1.3380202276276185
Energy: 1.7756814114211577
Energy: 1.3075661265861083
Energy: 1.7014325859112818
Energy: 1.6634287846038855
Energy: 1.7014325859068116
Energy: 1.352983180041757
Energy: 1.7122447207168456
Energy: 1.3147327070654464
Energy: 1.7122447207174842
Energy: 1.2870303635944462
Energy: 1.4743085693228886
Energy: 1.749823275745293
Energy: 1.4743085693248044
Energy: 1.7009599908933704
Energy: 1.987773919265541
Energy: 1.3141444857193014
Energy: 1.9877739192680957
Energy: 1.304611956625379
Energy: 1.3157230999757077
Energy: 1.8188089586701526
Energy: 1.3157230999769847
Energy: 1.3734403100201384
Energy: 1.5371014804956418
Energy: 1.3119378372713117
Energy: 1.5371014805070786
Energy: 1.3121211168772193
Energy: 1.7830414232111718
Energy: 1.6257766372264797
Energy: 1.7830414232098946
Energy: 1.6700542902789517
Energy: 1.5655625537158229
Energy: 1.3086059912375683
Energy: 1.5655625536953874
Energy: 1.312245352311791
Energy: 1.826848239374809
Energy: 1.6568404685894695
Energy: 1.82684823937417
Energy: 1.5735189899015545
Energy: 1.472926953986835
Energy: 1.2986687774131613
Energy: 1.472926953986835
Energy: 1.3112842776953297
Energy: 1.4053812180907177
Energy: 1.329173407535209
Energy: 1.405381218091995
Energy: 1.4839382930844054
Energy: 1.8112506474164152
Energy: 1.3141960111284152
Energy: 1.8112506474176924
Energy: 1.4432040476177923
Energy: 1.9517659704248613
Energy: 1.3406750744810734
Energy: 1.9517659704248613
Energy: 1.4556932162004552
Energy: 1.7640790597723621
Energy: 1.3107012753532419
Energy: 1.7640790597736395
Energy: 1.3134059424815123
Energy: 1.839037863834314
Energy: 1.3312921477761552
Energy: 1.8390378638318174
Energy: 1.2979247275007098
Energy: 1.4029635458630312
Energy: 1.316135404243098
Energy: 1.4029635458611154
Energy: 1.3089121490370161
Energy: 1.7702919946353435
Energy: 1.2971075590025747
Energy: 1.770291994633428
Energy: 1.3095406620994625
Energy: 1.8208101849949774
Energy: 1.5221859291908593
Energy: 1.820810184987314
Energy: 1.3338442860843758
Energy: 1.730471277599514
Energy: 1.3214372067247673
Energy: 1.730471277596321
Energy: 1.3052939751761248
Energy: 1.7202803018868824
Energy: 1.432738725832194
Energy: 1.7202803001857467
Energy: 1.3726047825078562
Energy: 1.7596922271950342
Energy: 1.3116271620243392
Energy: 1.7596922272014204
Energy: 1.3156662835020552
Energy: 1.8864268291161768
Energy: 1.3066597741535806
Energy: 1.8864268291173956
Energy: 1.6661062481882076
Energy: 1.7684112919352626
Energy: 1.314114568665543
Energy: 1.7684112925729416

minimum gb energy = 1.277574300601396 eV
minimum distance =  2.23080064108561 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.1695442585552607
Energy: 1.1691692639581062
Energy: 1.4233721574100244
Energy: 1.1691692639581062
Energy: 1.1722896067728241
Energy: 1.207073637759382
Energy: 1.1992418142147967
Energy: 1.207073637759382
Energy: 1.1828379326568104
Energy: 1.8981734515045723
Energy: 1.9789606568626241
Energy: 1.8981734515045723
Energy: 1.5505274359892003
Energy: 1.207441242933135
Energy: 1.1991762765006395
Energy: 1.207441242933135
Energy: 1.1975936860087353
Energy: 1.6327973664132047
Energy: 1.6259767477120013
Energy: 1.632797366411534
Energy: 1.1964994844346615
Energy: 1.169639690421981
Energy: 1.1728279127507364
Energy: 1.169639690421981
Energy: 1.1832148624469736
Energy: 1.3673149757529777
Energy: 1.171170515461977
Energy: 1.3673149757546486
Energy: 1.1830524475760658
Energy: 1.7966164792936048
Energy: 1.1978820638034373
Energy: 1.7966164792919337
Energy: 1.1978819622611365
Energy: 1.2775264838960552
Energy: 1.2490739550348624
Energy: 1.2775264838960552
Energy: 1.2067010216928664
Energy: 1.7100586615457036
Energy: 1.1972488076204622
Energy: 1.7100586615507165
Energy: 1.1688661250406667
Energy: 1.2080316379498774
Energy: 1.1975953761654177
Energy: 1.2080316379482066
Energy: 1.1690008426191325
Energy: 1.3691563385803691
Energy: 1.1987205497133626
Energy: 1.3691563385803691
Energy: 1.1973475281289878
Energy: 1.7116389452815333
Energy: 1.323941825146908
Energy: 1.711638945283204
Energy: 1.182595890480047
Energy: 1.2743201299134945
Energy: 1.1971343839890534
Energy: 1.2743201299134945
Energy: 1.2120196697581471
Energy: 1.7116141876314743
Energy: 1.198591001201017
Energy: 1.7116141876314743

minimum gb energy = 1.1688661250406667 eV
minimum distance =  2.29348221586275 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.1404797529488673
Energy: 1.577860737731752
Energy: 1.4116635193435187
Energy: 1.5778607377310514
Energy: 1.5639835068824266
Energy: 1.601155792031818
Energy: 1.0938121542403476
Energy: 1.601155792029717
Energy: 1.1061771797995685
Energy: 1.6135212703837107
Energy: 1.55870555121129
Energy: 1.6135212709612428
Energy: 1.685049275774052
Energy: 1.601632353799832
Energy: 1.0908403218238674
Energy: 1.601632353799832
Energy: 1.1132090945090543
Energy: 1.8802482001225893
Energy: 1.1563074829084354
Energy: 1.8802482001218888
Energy: 1.096456479442533
Energy: 1.3655018698391848
Energy: 1.1152104629828312
Energy: 1.3655018698405856
Energy: 1.1118303797257187
Energy: 1.8372586569491842
Energy: 1.642216030209129
Energy: 1.8372586569463825
Energy: 1.0867411622025303
Energy: 1.6822027165299496
Energy: 1.1153888233690594
Energy: 1.6822027165299496
Energy: 1.1112027870483825
Energy: 1.7072736754211195
Energy: 1.5294362584233687
Energy: 1.7072736754211195
Energy: 1.363518520533147
Energy: 1.902020478210694
Energy: 1.090080171961095
Energy: 1.902020478210694
Energy: 1.1112155339678533
Energy: 1.4213414610573856
Energy: 1.2431701998915035
Energy: 1.4213414610559847
Energy: 1.6404198172632742
Energy: 1.8680254226728312
Energy: 1.0991375205825036
Energy: 1.8680254226714306
Energy: 1.150724608637437
Energy: 1.6113796529143751
Energy: 1.145570145367846
Energy: 1.6113796529074353
Energy: 1.6974511167550375
Energy: 1.6707064503610298
Energy: 1.0971492674531271
Energy: 1.6707064503652318
Energy: 1.1134838715139888
Energy: 1.703111127502043
Energy: 1.09730364570366
Energy: 1.703111127502043
Energy: 1.123322929288845
Energy: 1.437570933001229
Energy: 1.1012051569913333
Energy: 1.437570932999128
Energy: 1.2244442419080053
Energy: 1.837622354558341
Energy: 1.0966171384046688
Energy: 1.837622354558341
Energy: 1.1340997278938834
Energy: 1.6820366037657275
Energy: 1.2389542411524483
Energy: 1.6820366037664276
Energy: 1.1159917700045796
Energy: 1.8870230215631296
Energy: 1.2313917544437862
Energy: 1.8870230215638297
Energy: 1.1159451591352356
Energy: 1.8866102858591896
Energy: 1.1243936298982642
Energy: 1.8866102858605902
Energy: 1.134378739002006
Energy: 1.6761627899496887
Energy: 1.234490397326652
Energy: 1.6761627899468874
Energy: 1.224234448488047
Energy: 1.8363876919780175
Energy: 1.0966781959914116
Energy: 1.8363876919780175
Energy: 1.1238293833604862
Energy: 1.437772932179896
Energy: 1.0997895124522128
Energy: 1.4377729321805963
Energy: 1.1120896845535044
Energy: 1.6934593869098975
Energy: 1.213257206832731
Energy: 1.6934593869098975
Energy: 1.6970919828599755
Energy: 1.6594944241372072
Energy: 1.097895001507955
Energy: 1.6594944241372072
Energy: 1.1538300260806027
Energy: 1.6356309653736723
Energy: 1.1301382998832408
Energy: 1.6356309653757732
Energy: 1.6411164521470964
Energy: 1.8721066032702836
Energy: 1.099922487830417
Energy: 1.8721066032702836
Energy: 1.111524835356777
Energy: 1.420298908475169
Energy: 1.2355466511754414
Energy: 1.4202989084821722
Energy: 1.3690899791248625
Energy: 1.8629217838429843
Energy: 1.0899496581172077
Energy: 1.862921783844385
Energy: 1.1118655286564265
Energy: 1.7078491389417663
Energy: 1.6380906821151746
Energy: 1.7078491389417663
Energy: 1.0875964385866896
Energy: 1.6915669302953855
Energy: 1.1153562056774902
Energy: 1.6915669302988876
Energy: 1.11077597789704
Energy: 1.8506514100590041
Energy: 1.8537606632814483
Energy: 1.8506514100562028
Energy: 1.1105470518749974
Energy: 1.3656985180595023
Energy: 1.1153383738171148
Energy: 1.3656985180581018
Energy: 1.111604003210487
Energy: 1.8770874774393418
Energy: 1.1577410373985226
Energy: 1.8770874774407424
Energy: 1.6997565293587522
Energy: 1.6016165599852323
Energy: 1.091229369115431
Energy: 1.6016165599852323

minimum gb energy = 1.0867411622025303 eV
minimum distance =  2.30361738516459 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.0422252926110323
Energy: 1.0410862587310274
Energy: 1.5481196472539696
Energy: 1.0410862587310274
Energy: 1.0949875046308586
Energy: 1.5015994282481684
Energy: 0.997194632800369
Energy: 1.5015994282481684
Energy: 1.0064629844428963
Energy: 1.8519876258720744
Energy: 1.727639776819851
Energy: 1.8519876258708696
Energy: 1.3959552047689854
Energy: 1.4725362286606634
Energy: 0.9970011479784116
Energy: 1.4725362286618684
Energy: 0.9919966554661354
Energy: 1.4474673179707072
Energy: 1.3979805466078017
Energy: 1.4474673179707072
Energy: 1.0279901653583547
Energy: 1.5014347164862283
Energy: 0.988299781771724
Energy: 1.5014347164862283
Energy: 1.0275877096959487
Energy: 1.8568638579727466
Energy: 1.0936181305914914
Energy: 1.8568638578908392
Energy: 1.0038821075768694
Energy: 1.0423062199391757
Energy: 1.0439192800155117
Energy: 1.0423062199391757
Energy: 0.9923809831515465
Energy: 1.500594625158169
Energy: 1.4598967433678396
Energy: 1.500594625156964
Energy: 1.462496921570732
Energy: 1.8789486387623078
Energy: 0.9872099914745905
Energy: 1.8789486387623078
Energy: 1.0277695796199002
Energy: 1.8332346761697729
Energy: 0.9982757435060463
Energy: 1.8332346761697729
Energy: 1.8267256663791325
Energy: 1.4691821546954138
Energy: 0.9970541785366827
Energy: 1.4691821546954138
Energy: 0.985054878162585
Energy: 1.501078791319892
Energy: 1.0270543511011465
Energy: 1.501078791319892
Energy: 1.555486437602308
Energy: 1.9319109910624959
Energy: 1.179091629443207
Energy: 1.9319109910624959
Energy: 1.0408404927248849
Energy: 1.0914585726219592
Energy: 0.9960787712634386
Energy: 1.0914585726219592
Energy: 1.231110482404893
Energy: 1.5005684795377665
Energy: 0.9972353586182529
Energy: 1.5005684795389715
Energy: 0.985094727786663
Energy: 1.8485590437979997
Energy: 1.0030628850872407
Energy: 1.8485590437979997
Energy: 1.1844816528249191
Energy: 1.9375760282007808
Energy: 1.179479748538574
Energy: 1.9375760282007808
Energy: 1.1800270805256623
Energy: 1.4702703299594655
Energy: 0.9957235126743025
Energy: 1.4702703299594655
Energy: 1.1869707760056833
Energy: 1.4890397557397894
Energy: 0.9975885970420955
Energy: 1.4890397557397894

minimum gb energy = 0.985054878162585 eV
minimum distance =  2.32556578887757 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.9486139467143979
Energy: 1.522169448671737
Energy: 1.5570677430571915
Energy: 1.522169448672678
Energy: 1.2422960563841652
Energy: 1.5245555692397912
Energy: 0.8976109055572417
Energy: 1.5245555681883498
Energy: 0.892800053756812
Energy: 0.8926165642957846
Energy: 1.6655024145745114
Energy: 0.8926165642948439
Energy: 0.9377256559253979
Energy: 1.5382814642117832
Energy: 0.8976611429654564
Energy: 1.5382814641393778
Energy: 0.8977690920089216
Energy: 1.5365545579052005
Energy: 1.2752723386146319
Energy: 1.5365545579042597
Energy: 1.2771911530623725
Energy: 1.52385862366904
Energy: 0.8986809781022463
Energy: 1.5238586236709217
Energy: 1.0080778046355627
Energy: 1.201203799732205
Energy: 0.9375667753292636
Energy: 1.2012038011711206
Energy: 1.2315005981951992
Energy: 1.2409518605131904
Energy: 0.8945925688047747
Energy: 1.2409518605122494
Energy: 0.8989759577738269
Energy: 1.533876231526145
Energy: 1.6414222061131112
Energy: 1.5338762318957426
Energy: 0.8738409566144146
Energy: 1.5310402951506705
Energy: 0.9494380754120146
Energy: 1.5310402951506705
Energy: 0.9021292812954573
Energy: 1.2019806173737668
Energy: 1.2435699213132487
Energy: 1.2019806173690621
Energy: 1.5844272423143846
Energy: 1.6468600878253714
Energy: 0.8946272630034887
Energy: 1.646860087818785
Energy: 0.8983251594178957
Energy: 1.5353572837004636
Energy: 1.1963995497833122
Energy: 1.5353572836938771
Energy: 1.6276352522824253
Energy: 1.6098175588564896
Energy: 0.8972550685600635
Energy: 1.6098175588555486
Energy: 1.0421530050439203
Energy: 1.2030888091856076
Energy: 0.8692245510167153
Energy: 1.2030888091865486
Energy: 1.3588707387992522
Energy: 1.6439895811512149
Energy: 1.0443273584118908
Energy: 1.6439895811512149
Energy: 0.8989821267299283
Energy: 1.240896127881382
Energy: 0.9074894753803504
Energy: 1.2408961278804411
Energy: 1.3435435073903923
Energy: 1.5725403112204315
Energy: 0.897670920450773
Energy: 1.5725403112213723
Energy: 0.9543336802364802
Energy: 1.5022727608609332
Energy: 0.8743465340765886
Energy: 1.5022727608590511
Energy: 1.629098544936937
Energy: 1.632792670116791
Energy: 1.0438525768154716
Energy: 1.6327926701158502
Energy: 0.8990422430126399
Energy: 1.6438408283266732
Energy: 0.8725048314740301
Energy: 1.643840828325732
Energy: 1.0444582579858819
Energy: 1.5186225301061183
Energy: 0.8970750594997016
Energy: 1.5186225301164678
Energy: 1.0423980770480525
Energy: 1.6261148163227224
Energy: 1.2325234335492172
Energy: 1.6261148163217813
Energy: 0.8696894417344583
Energy: 1.6330037289160557
Energy: 1.0453743643179094
Energy: 1.6330037289188786
Energy: 0.9008876584163004
Energy: 1.6436745594051685
Energy: 1.3625699283994979
Energy: 1.6436745594032864
Energy: 0.8721084985902128
Energy: 1.2355517917168972
Energy: 0.8924354629122132
Energy: 1.2355517917168972

minimum gb energy = 0.8692245510167153 eV
minimum distance =  2.30106148071367 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.311512683215306
Energy: 1.3114187034957032
Energy: 1.4927701584946653
Energy: 1.3114187034957032
Energy: 1.570692723820863
Energy: 1.3190563611501271
Energy: 0.79765379604493
Energy: 1.319056361141642
Energy: 0.8244387556931534
Energy: 1.2969591601703931
Energy: 1.5610758901795032
Energy: 1.2969591601711643
Energy: 1.0795295622318135
Energy: 1.3929416408268498
Energy: 0.7971971798891111
Energy: 1.3929416408276212
Energy: 0.7929969010213916
Energy: 1.32840858439873
Energy: 0.8820450800061721
Energy: 1.3284085843979587
Energy: 0.8290549966385521
Energy: 1.3320413599922254
Energy: 0.7976173528933329
Energy: 1.3320413599798833
Energy: 0.7968468324954269
Energy: 1.3209312538876405
Energy: 0.8295793138822686
Energy: 1.320931253889183
Energy: 1.1904497191355914
Energy: 1.0685677642553386
Energy: 0.7939614752207915
Energy: 1.0685677642591955
Energy: 0.7990129351144135
Energy: 1.4202768709888045
Energy: 1.0791287536516414
Energy: 1.4202768709888045
Energy: 1.1594881889217685
Energy: 1.3374424947173147
Energy: 0.8296354349708583
Energy: 1.337442494716543
Energy: 0.7967264063716499
Energy: 1.3109952981613557
Energy: 1.5715487828641048
Energy: 1.3109952979878667
Energy: 1.2801339194619648
Energy: 1.3118580085183944
Energy: 1.312395832288278
Energy: 1.3118580085168516
Energy: 0.7989432774651911
Energy: 1.4232479960135804
Energy: 1.569143417505882
Energy: 1.4232479960104947
Energy: 1.4826843546531978
Energy: 1.513307998973202
Energy: 0.8253966948859007
Energy: 1.5133079989747449
Energy: 0.7969277265883441
Energy: 1.324184561023019
Energy: 1.0804997922990334
Energy: 1.3241845610214762
Energy: 1.4838707592747566
Energy: 1.3496924021452696
Energy: 0.7938445043723549
Energy: 1.3496924021475838
Energy: 0.7998357395263616
Energy: 1.422303634726646
Energy: 1.1816380592673463
Energy: 1.4223036347258744
Energy: 1.2004065979945409
Energy: 1.5161911637411007
Energy: 0.880925159217202
Energy: 1.5161911637387868
Energy: 0.7964477960174855
Energy: 1.0684477167701023
Energy: 0.7899009405059939
Energy: 1.0684477167708737
Energy: 1.2101031643078468
Energy: 1.4198018677034154
Energy: 0.802789726387921
Energy: 1.4198018677041866
Energy: 0.832950409156593
Energy: 1.5134707090658024
Energy: 0.7807128757873427
Energy: 1.5134707090665738
Energy: 1.6282449426548107
Energy: 1.5924676016804353
Energy: 0.7976265178899102
Energy: 1.592467601681207
Energy: 1.315254199654579
Energy: 1.313225831357948
Energy: 0.7822756109430442
Energy: 1.313225831360262
Energy: 1.413935238460621
Energy: 1.4220841055910016
Energy: 0.8020802811123495
Energy: 1.4220841055902305
Energy: 0.8276224720030151
Energy: 1.511234809216394
Energy: 0.7818076431215939
Energy: 1.5112348092171655
Energy: 1.4090948516190327
Energy: 1.5222513665880693
Energy: 0.7972991435127272
Energy: 1.5222513665872979
Energy: 0.7964540670621636
Energy: 1.4197744777959551
Energy: 1.0914740488705579
Energy: 1.419774477793641
Energy: 0.7993425346398642
Energy: 1.4234329064351077
Energy: 0.8030588287756476
Energy: 1.4234329064351077
Energy: 0.7988967044322838
Energy: 1.5110716628075431
Energy: 1.211942484257445
Energy: 1.5110716628075431
Energy: 0.7792848415167939
Energy: 1.4573875659671216
Energy: 0.8002686781008729
Energy: 1.4573875659671216
Energy: 0.804040480889147
Energy: 1.4202956052009517
Energy: 1.2171479665595102
Energy: 1.4202956052055802
Energy: 0.7837218195600542
Energy: 1.4772243482882037
Energy: 0.8298801717380538
Energy: 1.477224348286661

minimum gb energy = 0.7792848415167939 eV
minimum distance =  2.30203261413579 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.175290236873173
Energy: 1.360123014038235
Energy: 1.085447922140221
Energy: 1.360123014039542
Energy: 1.3707617224373245
Energy: 1.2815029950851218
Energy: 0.7418754574426971
Energy: 1.2815029950877355
Energy: 0.7682069413616125
Energy: 1.1869359487771645
Energy: 1.4970614315636233
Energy: 1.1869359487836992
Energy: 1.1659270770688352
Energy: 1.3690163267962434
Energy: 0.8095576256230642
Energy: 1.369016326794283
Energy: 0.7434576025823134
Energy: 1.5184984635363055
Energy: 1.1280860916648956
Energy: 1.5184984635376122
Energy: 0.9592647697697658
Energy: 1.2803990053166485
Energy: 0.743677939336137
Energy: 1.2803990053101737
Energy: 0.7424920546714977
Energy: 1.1849881056443867
Energy: 0.7501253510839889
Energy: 1.1849881056443867
Energy: 0.7496824367335094
Energy: 1.1892999888785762
Energy: 0.7417465329700781
Energy: 1.1892999888804772
Energy: 0.8103217623939715
Energy: 1.4592091933494962
Energy: 1.0593171799505472
Energy: 1.4592091933560307
Energy: 1.1269534920723236
Energy: 1.42608834754896
Energy: 0.7406318122380122
Energy: 1.4260883475522275
Energy: 0.7416052770687648
Energy: 1.2754826156514694
Energy: 1.413001160287681
Energy: 1.2754826156495092
Energy: 1.5463017866824968
Energy: 1.2764676115800788
Energy: 0.7698772288603641
Energy: 1.2764676115748512
Energy: 0.8097775022248958
Energy: 1.368997674578779
Energy: 1.5921480962186079
Energy: 1.368997674578779
Energy: 1.200735348366942
Energy: 1.4086756464950099
Energy: 1.1756412989296028
Energy: 1.4086756464923962
Energy: 0.7417960700281313
Energy: 1.2836805051642923
Energy: 1.6198098559177336
Energy: 1.2836805051669062
Energy: 1.340873127574069
Energy: 1.2130457140475361
Energy: 0.7693814844415433
Energy: 1.213045714051457
Energy: 0.8094760328845638
Energy: 1.3683067716835624
Energy: 1.167551141091442
Energy: 1.368306771682909
Energy: 1.3785151452626565
Energy: 1.4195166645195083
Energy: 0.7405600568156547
Energy: 1.4195166645182014
Energy: 0.7419543201765461
Energy: 1.28431739779089
Energy: 0.9599077082651667
Energy: 1.2843173977895828
Energy: 0.7526912513329911
Energy: 1.2793979274267715
Energy: 0.7417094132719103
Energy: 1.2793979274241574
Energy: 0.8097634266641536
Energy: 1.2866947099541066
Energy: 0.7515033782913032
Energy: 1.286694709952146
Energy: 1.0743142616386212
Energy: 1.4174575544323718
Energy: 0.7454498062341136
Energy: 1.4174575544362926
Energy: 0.7412725959374943
Energy: 1.3477629306782675
Energy: 0.7127021841111053
Energy: 1.3477629306782675
Energy: 1.487647294476998
Energy: 1.2697042595832897
Energy: 0.7424584284614935
Energy: 1.269704259586557
Energy: 0.7708961356627677
Energy: 1.3548155762782819
Energy: 0.7130177118855486
Energy: 1.3548155762776284
Energy: 1.4353565608837364
Energy: 1.4176744171390447
Energy: 0.8120251933535629
Energy: 1.417674417140352
Energy: 1.1773024521839253
Energy: 1.358022044058747
Energy: 0.7064829866995851
Energy: 1.3580220440580932
Energy: 1.5221740314069343
Energy: 1.2810130386976895
Energy: 0.7421166250368314
Energy: 1.2810130387009568
Energy: 0.7725697249054387
Energy: 1.485584436892914
Energy: 0.7088933466046077
Energy: 1.4855844368922606
Energy: 1.24153790530538
Energy: 1.3663459936559021
Energy: 0.81160326091994
Energy: 1.3663459936559021
Energy: 0.7414576201418722
Energy: 1.3689022235120445
Energy: 0.9877022188211517
Energy: 1.3689022235120445
Energy: 1.2490209594257429
Energy: 1.2819704674099315
Energy: 0.7423450162789608
Energy: 1.2819704674131986
Energy: 0.8097383158331558
Energy: 1.4913640281694593
Energy: 1.0874193863802946
Energy: 1.491364028167499
Energy: 0.7234181203434843
Energy: 1.2871749642298973
Energy: 0.8117365720253039
Energy: 1.2871749642259764
Energy: 0.7323802006463186
Energy: 1.3686902150976679
Energy: 1.0931831745209812
Energy: 1.3686902150970144
Energy: 0.7116368746395844
Energy: 1.3466268673089983
Energy: 0.812794045594346
Energy: 1.346626867307038
Energy: 0.7433948202624541
Energy: 1.4818535739244665
Energy: 1.4130553284435186
Energy: 1.4818535739290404

minimum gb energy = 0.7064829866995851 eV
minimum distance =  2.18069698530066 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.0953322639940148
Energy: 1.2501462593249515
Energy: 1.3546033270246058
Energy: 1.2501462593249515
Energy: 1.41002283876807
Energy: 1.1600384326213395
Energy: 0.7336551427920283
Energy: 1.1600384326224733
Energy: 1.0548977659025285
Energy: 1.0560571959289589
Energy: 1.384095818445448
Energy: 1.0560571959295255
Energy: 1.2397202527644073
Energy: 1.1599424096662674
Energy: 0.733197238805556
Energy: 1.1599424096645672
Energy: 0.823593388285861
Energy: 1.0635716695499793
Energy: 1.044641873828721
Energy: 1.0635716695494126
Energy: 1.284164273736254
Energy: 1.2286285174417775
Energy: 0.7333846901682785
Energy: 1.2286285173749265
Energy: 0.6794828015272938
Energy: 1.0748651544462726
Energy: 0.7041035306044213
Energy: 1.074865154445139
Energy: 0.8842974970740446
Energy: 1.1886618733751906
Energy: 0.7892411830823418
Energy: 1.1886618733757577
Energy: 0.7871221797350177
Energy: 1.0613957637278173
Energy: 0.8848194166061577
Energy: 1.0613957637221498
Energy: 0.702488813226009
Energy: 1.0740176930644258
Energy: 0.6797114761901
Energy: 1.0740176930644258
Energy: 0.7338052593710312
Energy: 1.1590930486800528
Energy: 1.0665428632818328
Energy: 1.1590930486109352
Energy: 1.0451698014290283
Energy: 1.3019093458439686
Energy: 0.7700206015363928
Energy: 1.3019093458473692
Energy: 0.7344078737200351
Energy: 1.0857584437244803
Energy: 1.421968636961748
Energy: 1.0857584437239136
Energy: 1.4479471392183023
Energy: 1.0552540351800084
Energy: 1.0561127466678621
Energy: 1.0552540351817086
Energy: 0.7340421364721835
Energy: 1.1668521558584872
Energy: 1.4230570073033713
Energy: 1.1668521558590543
Energy: 0.6240057905208561
Energy: 1.4385465994132616
Energy: 1.0994049016956449
Energy: 1.4385465994160953
Energy: 0.6796865897519679
Energy: 1.0613591546280285
Energy: 1.6174379568915636
Energy: 1.0613591546274619
Energy: 1.2559234705716182
Energy: 1.0558579013592029
Energy: 1.0562614428267314
Energy: 1.0558579013614697
Energy: 0.7351268648663343
Energy: 1.1674804707166286
Energy: 1.46506196898145
Energy: 1.167480470716062
Energy: 1.2831215202242992
Energy: 1.3468102208017503
Energy: 0.7700264113386731
Energy: 1.3468102208011834
Energy: 0.733366872498751
Energy: 1.086476966604075
Energy: 1.2883774959111918
Energy: 1.086476966604075
Energy: 0.7048450336602909
Energy: 1.0869959563597957
Energy: 0.6777941199298779
Energy: 1.086995956359229
Energy: 0.7340604354485978
Energy: 1.1668934360512628
Energy: 1.3170581761419113
Energy: 1.1668934360506962
Energy: 0.7320571187108817
Energy: 1.394783961380405
Energy: 0.7888924639675811
Energy: 1.3947839613860724
Energy: 0.6794471531293792
Energy: 0.8860088189328764
Energy: 0.7871852411890529
Energy: 0.88600881893401
Energy: 1.3037601514755828
Energy: 1.1618266440363052
Energy: 0.7346980748531878
Energy: 1.1618266440380056
Energy: 0.7180727114351305
Energy: 1.2368121506480827
Energy: 1.044898371830773
Energy: 1.236812150647516
Energy: 1.3184814279885047
Energy: 1.2710289139502113
Energy: 0.6800461085885889
Energy: 1.2710289139519115
Energy: 1.1119769612911847
Energy: 1.0564359993232681
Energy: 0.6225830485970176
Energy: 1.0564359993232681
Energy: 1.6449066120164009
Energy: 1.167097308606897
Energy: 0.6817359668800306
Energy: 1.167097308606897
Energy: 1.0990995291274814
Energy: 1.3196370788175662
Energy: 0.6252893023518201
Energy: 1.319637078811332
Energy: 1.4535050776352767
Energy: 1.2708915974789097
Energy: 0.6810858195502847
Energy: 1.270891597478343
Energy: 1.057480230206604
Energy: 1.057075610353774
Energy: 0.6236423120103309
Energy: 1.057075610356041
Energy: 1.4617017172251283
Energy: 1.166390961027734
Energy: 0.7360053563012989
Energy: 1.1663909610266006
Energy: 0.770446014688428
Energy: 1.3557404608017865
Energy: 1.2677504477458361
Energy: 1.3557404608012196
Energy: 1.102138639184124
Energy: 1.2697190920353338
Energy: 0.680456386449805
Energy: 1.269719092034767
Energy: 0.7335409658973019
Energy: 1.1614826983657944
Energy: 0.8660866806583999
Energy: 1.1614826983652276
Energy: 1.088176245095809
Energy: 1.166733756753064
Energy: 0.7360580576424223
Energy: 1.166733756754764
Energy: 0.7339917855665078
Energy: 1.2677480742233822
Energy: 0.9423869714191871
Energy: 1.2677480742239489
Energy: 0.6441238668239648
Energy: 1.2070096177070337
Energy: 0.7357984484134861
Energy: 1.2070096177444136
Energy: 0.7926521172491172
Energy: 1.161948154667135
Energy: 1.3027620166683376
Energy: 1.1619481546665682
Energy: 0.6230040160603352
Energy: 1.2361811266425775
Energy: 0.720362478645566
Energy: 1.236181126643711
Energy: 0.6811472715863328
Energy: 1.3562930378395393
Energy: 1.319358207722075
Energy: 1.3562930378389724

minimum gb energy = 0.6225830485970176 eV
minimum distance =  2.18513742179311 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01784479602412941
Energy: 0.019480911128323033
Energy: 2.235614670181702
Energy: 0.019480911129146
Energy: 0.8200880712042844
Energy: 2.403177150284081
Energy: 3.6311118388255386
Energy: 2.4031771502845163
Energy: 0.01784479602412941
Energy: 0.019480911128758722
Energy: 0.8218137197117388
Energy: 0.019480911128758722
Energy: 0.8200880712038486
Energy: 2.403177150284081
Energy: 3.6311118388251264
Energy: 2.4031771502832333
Energy: 0.01784479602412941
Energy: 0.019480911128758722
Energy: 0.8217678630432901
Energy: 0.019480911129146
Energy: 0.8200880712042844
Energy: 2.4031771502845163
Energy: 3.6311118388259738
Energy: 2.4031771502845163

minimum gb energy = 0.01784479602412941 eV
minimum distance =  2.55139323203316 Angstroms
sigma value = 1