Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349977866791
mass=58.6934
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: 0.018146669614120533
Energy: 0.01840468094157011
Energy: 1.4669377142559454
Energy: 0.01840468094157011
Energy: 0.01840468094157011
Energy: 1.2243205837995665
Energy: 0.01840468094157011
Energy: 1.2243205837995665
Energy: 1.4669377142566067
Energy: 0.01840468094157011
Energy: 0.018146669614120533
Energy: 0.01840468094157011
Energy: 0.01840468094157011
Energy: 1.2243205838002276
Energy: 0.01840468094157011
Energy: 1.2243205837995665

minimum gb energy = 0.018146669614120533 eV
minimum distance =  2.42645595695282 Angstroms
sigma value = 1


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

Energy: 1.5679808414222487
Energy: 1.5483711763375687
Energy: 1.455677077553175
Energy: 1.5483711763375687
Energy: 1.4452101240204058
Energy: 1.4950027159457755
Energy: 1.4530537907296424
Energy: 1.4950027159449737
Energy: 1.403088157184504
Energy: 1.5344869142743194
Energy: 1.4889283734463188
Energy: 1.5344869142735178
Energy: 1.4369801450477344
Energy: 1.5070847970943204
Energy: 1.4015800896714004
Energy: 1.507084797095122
Energy: 1.4089932277700083
Energy: 1.55435638975138
Energy: 1.4702856695172641
Energy: 1.554356389752182
Energy: 1.3782735703291933
Energy: 1.7182021715501703
Energy: 1.3769002956343692
Energy: 1.7182021715501703
Energy: 1.4493239384216552
Energy: 1.531940421261729
Energy: 1.3800229786732467
Energy: 1.531940421260927
Energy: 1.3209124412157094
Energy: 1.5576015472666596
Energy: 1.376455372858093
Energy: 1.5576015472674614
Energy: 1.4006705066927296
Energy: 1.7421548667348812
Energy: 1.4607907302396745
Energy: 1.7421548667340798
Energy: 1.3650347765595052
Energy: 1.5331768340995127
Energy: 1.3130181553402784
Energy: 1.5331768340995127
Energy: 1.4731050796911778
Energy: 1.513373914951226
Energy: 1.4006882767487565
Energy: 1.513373914951226
Energy: 1.4633933448245404
Energy: 1.556883072002161
Energy: 1.3808501808798619
Energy: 1.5568830720029627
Energy: 1.4509801610977937
Energy: 1.530559011296882
Energy: 1.447383032438145
Energy: 1.5305590112952792
Energy: 1.4173145643509224
Energy: 1.5392503354561524
Energy: 1.3897727724481934
Energy: 1.5392503354561524
Energy: 1.4310109651782412
Energy: 1.549301780331627
Energy: 1.4450302517189357
Energy: 1.549301780331627
Energy: 1.4291572626438405
Energy: 1.5488487763861252
Energy: 1.4444974815559757
Energy: 1.548848776386854
Energy: 1.4890225984526313
Energy: 1.5344855391103405
Energy: 1.3589359121014843
Energy: 1.5344855391103405
Energy: 1.4530348101314414
Energy: 1.5033813155710662
Energy: 1.4837677532680698
Energy: 1.5033813155702644
Energy: 1.3348975238888103
Energy: 1.554436613954181
Energy: 1.379279327641875
Energy: 1.554436613954181
Energy: 1.4836926804225856
Energy: 1.9424055596198893
Energy: 1.4031621936381182
Energy: 1.9424055596206908
Energy: 1.3799031411456677
Energy: 1.5345799179361241
Energy: 1.3258999108556957
Energy: 1.5345799179369257
Energy: 1.4010600563342102
Energy: 1.6656576752431544
Energy: 1.4627981860519017
Energy: 1.6656576752431544
Energy: 1.4312669549215185
Energy: 1.5545567018385644
Energy: 1.3633991478827492
Energy: 1.5545567018377628
Energy: 1.4136524799066268
Energy: 1.5303543125880652
Energy: 1.378069122177741
Energy: 1.5303543125880652
Energy: 1.3803216398571652
Energy: 1.7189013413168213
Energy: 1.4509039968259305
Energy: 1.7189013413168213
Energy: 1.4057795090988905
Energy: 1.5551161447589399
Energy: 1.3945960794356393
Energy: 1.5551161447589399
Energy: 1.440610468420437
Energy: 1.7470807594169249
Energy: 1.4006715045230564
Energy: 1.7470807594169249
Energy: 1.3913191272940117
Energy: 1.5305487910586564
Energy: 1.5459679240033313
Energy: 1.5305487910578548
Energy: 1.4442678874252712
Energy: 1.4913146150966885
Energy: 1.4477532980392311
Energy: 1.4913146150958867
Energy: 1.5148194208037835
Energy: 1.5500343213643495
Energy: 1.4632464059283885
Energy: 1.5500343213635477
Energy: 1.449445562442605
Energy: 1.5378270641547644
Energy: 1.4508984703401753
Energy: 1.5378270641547644
Energy: 1.4156944977741888
Energy: 1.5297164478146787
Energy: 1.417200276875713
Energy: 1.5297164478146787
Energy: 1.408787631486503
Energy: 1.5076848317379898
Energy: 1.4059851684858784
Energy: 1.507684831737188

minimum gb energy = 1.3130181553402784 eV
minimum distance =  2.23418724296207 Angstroms
sigma value = 1


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

Energy: 1.6646013966678017
Energy: 1.6473979835354127
Energy: 1.5480349800859223
Energy: 1.6473979835354127
Energy: 1.495098162231125
Energy: 1.5878902353218798
Energy: 1.5109142775054107
Energy: 1.587890235323708
Energy: 1.4562643494584546
Energy: 1.6505523116294425
Energy: 1.5317073376142876
Energy: 1.6505523116312708
Energy: 1.4486732268722264
Energy: 1.463291903387294
Energy: 1.4332369726713226
Energy: 1.4632919033900362
Energy: 1.4487896727336584
Energy: 1.6201578613965624
Energy: 1.5044423119814443
Energy: 1.6201578613947343
Energy: 1.5502480848617588
Energy: 1.6199888452489102
Energy: 1.53207502356213
Energy: 1.6199888452479965
Energy: 1.4952981973349364
Energy: 1.6968969656289596
Energy: 1.4531808097356158
Energy: 1.6968969656280455
Energy: 1.3669791792886672
Energy: 1.651088834602465
Energy: 1.4208426589952687
Energy: 1.651088834602465
Energy: 1.4493771767115298
Energy: 2.0804583797240923
Energy: 1.5504792719188798
Energy: 2.08045837972592
Energy: 1.4373715470678476
Energy: 1.6506677456136396
Energy: 1.5063870460937212
Energy: 1.6506677456154675
Energy: 1.4965091896548945
Energy: 1.5678159899453106
Energy: 1.5181305975772779
Energy: 1.5678159899453106
Energy: 1.4093939967078373
Energy: 1.6319466224675827
Energy: 1.478647062627429
Energy: 1.6319466224703247
Energy: 1.535007354612021
Energy: 1.614492203987575
Energy: 1.5007839151410967
Energy: 1.6144922039848328
Energy: 1.5347332919695953
Energy: 1.6145155498931925
Energy: 1.460087852039032
Energy: 1.6145155498922785
Energy: 1.409230432710732
Energy: 1.6319230629255512
Energy: 1.5734553997564065
Energy: 1.631923062923723
Energy: 1.4959282647255179
Energy: 1.5677331930718987
Energy: 1.5107658969495128
Energy: 1.5677331930728127
Energy: 1.4376105217174793
Energy: 1.6503668290489844
Energy: 1.3902433664692087
Energy: 1.6503668290480704
Energy: 1.4495406602868688
Energy: 2.0796289882304215
Energy: 1.5504031488413637
Energy: 2.07962898823225
Energy: 1.3669609992750011
Energy: 1.6504058835187132
Energy: 1.4208924150675426
Energy: 1.6504058835196274
Energy: 1.495184391698711
Energy: 1.6961401144516344
Energy: 1.4330052473022175
Energy: 1.6961401144516344
Energy: 1.550184052312228
Energy: 1.6200135535044193
Energy: 1.4027777892395787
Energy: 1.6200135535044193
Energy: 1.4487681066786569
Energy: 1.6208557073542107
Energy: 1.506181369225155
Energy: 1.620855707353297
Energy: 1.4490527796023016
Energy: 1.4631639118359108
Energy: 1.43032409699359
Energy: 1.4631639118359108
Energy: 1.456278038491745
Energy: 1.6505666621924933
Energy: 1.5765059552107006
Energy: 1.6505666621934072
Energy: 1.4952533129575427
Energy: 1.593808543370913
Energy: 1.5106712465678285
Energy: 1.5938085433727411
Energy: 1.6646013966678017
Energy: 1.6473979835354127
Energy: 1.5480349800868365
Energy: 1.6473979835363266
Energy: 1.495098162231125
Energy: 1.5878902353209658
Energy: 1.5109142775054107
Energy: 1.587890235323708
Energy: 1.4562643494575407
Energy: 1.6505523116294425
Energy: 1.478945191503332
Energy: 1.6505523116321847
Energy: 1.4486732268722264
Energy: 1.4632919033882081
Energy: 1.4332369726713226
Energy: 1.4632919033900362

minimum gb energy = 1.3669609992750011 eV
minimum distance =  2.2346017606473 Angstroms
sigma value = 25


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

Energy: 1.5628315172888114
Energy: 1.7144425434693173
Energy: 1.7057499256727096
Energy: 1.71444254347038
Energy: 1.5882824783964127
Energy: 1.6419879905638073
Energy: 1.524290790249633
Energy: 1.6419879905638073
Energy: 1.5305333742181355
Energy: 1.7695626557121176
Energy: 1.5312353575182494
Energy: 1.7695626557121176
Energy: 1.532797745446019
Energy: 1.53987735743599
Energy: 1.4860640357290174
Energy: 1.5398773574370526
Energy: 1.4869575649462818
Energy: 1.7421621967520289
Energy: 1.5840416875182703
Energy: 1.7421621967520289
Energy: 1.638267768434827
Energy: 1.7676815112556914
Energy: 1.7469466161154248
Energy: 1.767681511254629
Energy: 1.5862387674526293
Energy: 1.8123107265218106
Energy: 1.5251977722636623
Energy: 1.812310726520748
Energy: 1.7450364371020581
Energy: 1.7217091917611318
Energy: 1.4435932701668441
Energy: 1.7217091917611318
Energy: 1.5244498026077191
Energy: 1.6414989063718834
Energy: 1.5860378604396168
Energy: 1.6414989063718834
Energy: 1.526779674307397
Energy: 1.7682506399599365
Energy: 1.4762739801860278
Energy: 1.7682506399599365
Energy: 1.5833105055799357
Energy: 1.712083899600513
Energy: 1.585950497697648
Energy: 1.7120838996015755
Energy: 1.5484132257615137
Energy: 1.714292744746618
Energy: 1.5230765320688664
Energy: 1.714292744746618
Energy: 1.530960689015528
Energy: 1.6616443394848532
Energy: 1.4743241377880385
Energy: 1.6616443394848532
Energy: 1.524211451012465
Energy: 1.6302545513561073
Energy: 1.5979572480366484
Energy: 1.6302545513550448
Energy: 1.5850979892832278
Energy: 1.7239207423137959
Energy: 1.4425890288044834
Energy: 1.7239207423127332
Energy: 1.5865817912763935
Energy: 1.5338445840145947
Energy: 1.486062639029622
Energy: 1.5338445840145947
Energy: 1.4222971392606312
Energy: 1.7697226250801614
Energy: 1.4221422940613968
Energy: 1.7697226250801614
Energy: 1.485646004110148
Energy: 1.6517115144954617
Energy: 1.5853562259250953
Energy: 1.6517115144943992
Energy: 1.5177338669445708
Energy: 1.6725881309236228
Energy: 1.486778675617405
Energy: 1.6725881309246855
Energy: 1.5984815531437933
Energy: 1.767317879396921
Energy: 1.5329791501015508
Energy: 1.7673178793979836
Energy: 1.534188994785439
Energy: 1.6411618593737853
Energy: 1.5233426276600721
Energy: 1.6411618593737853
Energy: 1.5636355049970605
Energy: 1.7156557399041736
Energy: 1.6500657023909882
Energy: 1.7156557399031112
Energy: 1.5863810439493264
Energy: 1.652081350868879
Energy: 1.5230979967583365
Energy: 1.652081350868879
Energy: 1.528392098335252
Energy: 1.767947843953252
Energy: 1.5270275094715642
Energy: 1.7679478439521896
Energy: 1.587055874983619
Energy: 1.539650028473779
Energy: 1.4870167513387709
Energy: 1.5396500284748413

minimum gb energy = 1.4221422940613968 eV
minimum distance =  2.23654202890163 Angstroms
sigma value = 9


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

Energy: 1.6298653110223404
Energy: 1.6300468334412201
Energy: 1.8793058592989296
Energy: 1.6300468334412201
Energy: 1.5687802435020834
Energy: 1.7266186832481016
Energy: 1.5892060998087392
Energy: 1.7266186832493693
Energy: 1.6050176374014007
Energy: 1.6469348084904472
Energy: 1.6224004461027826
Energy: 1.6469348084904472
Energy: 1.8990092698953727
Energy: 1.6143024203820373
Energy: 1.5197405296535755
Energy: 1.6143024203820373
Energy: 1.7337684530223898
Energy: 1.7277708224152655
Energy: 1.8786774041761882
Energy: 1.7277708224139983
Energy: 1.4686373886491342
Energy: 1.6460033747481
Energy: 1.6409198398924707
Energy: 1.6460033747468326
Energy: 1.5839511957597632
Energy: 1.5188865048104472
Energy: 1.5199472507153893
Energy: 1.5188865048104472
Energy: 1.6666368351698564
Energy: 1.6459067290712255
Energy: 1.502120281190663
Energy: 1.6459067290724934
Energy: 1.5846043611232283
Energy: 1.726529577579315
Energy: 1.6892624626552226
Energy: 1.726529577579315
Energy: 1.6231196398912224
Energy: 1.6307903574651739
Energy: 1.6408420002745048
Energy: 1.6307903574664413
Energy: 1.5284117179215657
Energy: 1.7432534471942678
Energy: 1.6055995326584944
Energy: 1.7432534471955354
Energy: 1.6246788432644237
Energy: 1.7166299625681363
Energy: 1.5200004126211524
Energy: 1.7166299625681363
Energy: 1.4683433350338664
Energy: 1.6470760174820842
Energy: 1.6646596343002986
Energy: 1.6470760174833516
Energy: 1.6028092265723644
Energy: 1.6014940990734996
Energy: 1.5881939529857905
Energy: 1.6014940990734996
Energy: 1.4683545630110326
Energy: 1.6470576145004567
Energy: 1.666950695198299
Energy: 1.6470576144991893
Energy: 1.6244105993803306
Energy: 1.7166654882529875
Energy: 1.5201216626818528
Energy: 1.7166654882542551
Energy: 1.5286540840673786
Energy: 1.7432754906640453
Energy: 1.6200725214740894
Energy: 1.7432754906627779
Energy: 1.6231502184692335
Energy: 1.6306071020761084
Energy: 1.6410075647932334
Energy: 1.6306071020761084
Energy: 1.5848209869816903
Energy: 1.726885949687209
Energy: 1.5893618070636883
Energy: 1.726885949687209
Energy: 1.6668159907679478
Energy: 1.6461655192376055
Energy: 1.5021256988852199
Energy: 1.646165519236338
Energy: 1.5841000066230115
Energy: 1.519019992854373
Energy: 1.5201330802723043
Energy: 1.519019992854373

minimum gb energy = 1.4683433350338664 eV
minimum distance =  2.32930110734232 Angstroms
sigma value = 25


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

Energy: 1.5413538878364932
Energy: 1.8897300324538466
Energy: 1.7424839033079842
Energy: 1.8897300324538466
Energy: 1.5136677074520006
Energy: 1.5557608300688088
Energy: 1.4939003106168722
Energy: 1.5557608300688088
Energy: 1.7043495991233313
Energy: 1.7947387565565613
Energy: 1.4942834708272126
Energy: 1.7947387565565613
Energy: 1.5402060831611732
Energy: 1.77829612558977
Energy: 1.7535644089112608
Energy: 1.778296125594473
Energy: 1.7526501950866715
Energy: 1.5133340538573994
Energy: 1.4937928489736614
Energy: 1.5133340538573994
Energy: 1.493411759708537
Energy: 1.7945102229344019
Energy: 1.7025590062313214
Energy: 1.7945102229344019
Energy: 1.4950955919233664
Energy: 1.735054156574113
Energy: 1.4933528246774124
Energy: 1.735054156574113
Energy: 1.7325653848571576
Energy: 1.6297150846606283
Energy: 1.540343980032415
Energy: 1.629715084671601
Energy: 1.4941848777707687
Energy: 1.6330747119815476
Energy: 1.5159701035733486
Energy: 1.63307471197998
Energy: 1.7931381779073077
Energy: 1.6619947381146498
Energy: 1.702359939411027
Energy: 1.6619947381146498
Energy: 1.6471324841503365
Energy: 1.7775070816373542
Energy: 1.9858494132999485
Energy: 1.7775070816389218
Energy: 1.4937606627861835
Energy: 1.5623983575798615
Energy: 1.7938197455899656
Energy: 1.562398357581429
Energy: 1.7423759371821286
Energy: 1.7948105221353476
Energy: 1.4933178533403477
Energy: 1.7948105221353476
Energy: 1.4940648843348574
Energy: 1.7599374521807585
Energy: 1.750186174721053
Energy: 1.7599374521807585
Energy: 1.4936750250411617
Energy: 1.757461850070559
Energy: 1.732555651726563
Energy: 1.7574618530663582
Energy: 1.513345357058991
Energy: 1.6619220796147391
Energy: 1.4935132787636574
Energy: 1.6619220796272438
Energy: 1.4934204506956423
Energy: 1.6379655612387778
Energy: 1.7934630782778505
Energy: 1.6379655612387778

minimum gb energy = 1.4933178533403477 eV
minimum distance =  2.32106530880559 Angstroms
sigma value = 17


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

Energy: 1.6731342148399937
Energy: 1.6736659364137298
Energy: 2.0282982223261112
Energy: 1.673665936412842
Energy: 1.7634051344572594
Energy: 1.7048434488113597
Energy: 1.5267236932127202
Energy: 1.7048434488122477
Energy: 1.93521507798714
Energy: 1.6644172499215188
Energy: 1.5250758734756138
Energy: 1.6644172499215188
Energy: 1.5278705827796468
Energy: 1.8661214532524553
Energy: 1.6836323653884993
Energy: 1.8661214532533428
Energy: 1.8238709945600649
Energy: 1.6444153043024359
Energy: 1.6011920894941996
Energy: 1.6444153043024359
Energy: 1.5449888234698648
Energy: 1.696219168018059
Energy: 1.902687304830135
Energy: 1.6962191680207224
Energy: 1.5278905603514021
Energy: 1.7024871830254062
Energy: 1.614933984012022
Energy: 1.7024871830254062
Energy: 1.934072272677485
Energy: 1.6955554277888056
Energy: 1.54299413581466
Energy: 1.69555542778703
Energy: 1.5443658032542782
Energy: 1.6980260471998536
Energy: 1.8178569617650953
Energy: 1.6980260472007414
Energy: 1.9246559909952825
Energy: 1.6431242623903404
Energy: 1.5262178651022607
Energy: 1.6431242623894526
Energy: 1.5315837439653603
Energy: 1.7085889829010763
Energy: 1.931496048386239
Energy: 1.7085889829010763
Energy: 1.5443019841997314
Energy: 1.7004883938201794
Energy: 1.544535902236292
Energy: 1.7004883938192916
Energy: 1.7557105444708443
Energy: 1.6736519608084783
Energy: 1.6799117234936605
Energy: 1.6736519608084783
Energy: 1.5254657926065915
Energy: 1.723044836622414
Energy: 1.765402121953959
Energy: 1.7230448366268534
Energy: 1.697196625500743
Energy: 1.7034086154790837
Energy: 1.5442485050634243
Energy: 1.703408615478196
Energy: 1.7595274404172512
Energy: 1.6945677053919102
Energy: 1.794166564016416
Energy: 1.694567705441586
Energy: 1.6143905070934483
Energy: 1.7650954876969753
Energy: 1.9346323483719363
Energy: 1.7650954876969753
Energy: 1.8749443451902248
Energy: 1.6691848372862659
Energy: 1.5447974085939422
Energy: 1.6691848372844904
Energy: 1.6943727142892293
Energy: 1.7616942416458068
Energy: 1.632557487821409
Energy: 1.7616942416466945
Energy: 1.6133477061616202
Energy: 1.8669935852349873
Energy: 1.663115345107394
Energy: 1.8669935852349873
Energy: 1.6587810790948991
Energy: 1.6637417496974543
Energy: 1.7885420889108266
Energy: 1.6637417496983418
Energy: 1.6135267391915888
Energy: 1.8469741981255785
Energy: 1.96024019813212
Energy: 1.8469741981246908
Energy: 1.8092162816129327
Energy: 1.6736296302307385
Energy: 1.5247858426560619
Energy: 1.6736296302307385
Energy: 1.5443988519844194
Energy: 1.761571727789924
Energy: 1.9156475055897197
Energy: 1.7615717277890364
Energy: 1.6475875004903136
Energy: 1.6640542001142276
Energy: 1.9201092376386595
Energy: 1.6640542001133396
Energy: 1.8101405281070257
Energy: 1.7088748973795918
Energy: 1.5268349303874167
Energy: 1.7088748973804795
Energy: 1.5674962251577076
Energy: 1.7743799232356405
Energy: 1.9914043189746253
Energy: 1.7743799232356405
Energy: 1.7564524129296608
Energy: 1.6962801726902312
Energy: 1.7902573166674924
Energy: 1.6962801726902312
Energy: 1.899422857360725
Energy: 1.8111849049286237
Energy: 1.5273673674293298
Energy: 1.8111849049295115
Energy: 1.5427149558442932
Energy: 1.7591608294794117
Energy: 1.8736016737957562
Energy: 1.7591608294794117

minimum gb energy = 1.5247858426560619 eV
minimum distance =  2.21524981483518 Angstroms
sigma value = 53


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

Energy: 1.429065144544276
Energy: 1.4287322947024577
Energy: 1.9726332438897511
Energy: 1.4287322947024577
Energy: 1.7944199377875025
Energy: 1.6216730162686965
Energy: 1.7909229617742592
Energy: 1.6216730162686965
Energy: 1.4607345478439604
Energy: 1.4286139713485335
Energy: 1.7673138832016484
Energy: 1.4286139713464898
Energy: 1.4607710971846108
Energy: 1.4287117039108337
Energy: 1.658558604941246
Energy: 1.4287117039108337
Energy: 1.794446048174879
Energy: 1.6216163404628468
Energy: 1.7358165896569324
Energy: 1.6216163404648907
Energy: 1.429065144544276
Energy: 1.4287322947024577
Energy: 1.9729461498650904
Energy: 1.4287322947024577
Energy: 1.7944199377875025
Energy: 1.6216730162707405
Energy: 1.7909229617722158
Energy: 1.6216730162707405
Energy: 1.4607345478439604
Energy: 1.4286139713485335
Energy: 1.767313883203692
Energy: 1.4286139713485335
Energy: 1.4607710971866545
Energy: 1.4287117039108337
Energy: 1.631285526713751
Energy: 1.4287117039128774
Energy: 1.794446048174879
Energy: 1.6216163404648907
Energy: 1.7301243865230838
Energy: 1.6216163404648907
Energy: 1.42906514454632
Energy: 1.4287322947024577
Energy: 2.1463537055087585
Energy: 1.4287322947024577
Energy: 1.7944199377875025
Energy: 1.6216730162686965
Energy: 1.7909229617763034
Energy: 1.6216730162686965
Energy: 1.4607345478460043
Energy: 1.4286139713485335
Energy: 1.767313883203692
Energy: 1.4286139713464898

minimum gb energy = 1.4286139713464898 eV
minimum distance =  2.2963184121128 Angstroms
sigma value = 9


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

Energy: 1.636686011716897
Energy: 1.798458438864347
Energy: 2.19545050063675
Energy: 1.7984584388673728
Energy: 1.9739233975990116
Energy: 1.7238799082127538
Energy: 1.6146334046331605
Energy: 1.7238799082104845
Energy: 1.6349681569959515
Energy: 1.555760197582377
Energy: 1.577445074864174
Energy: 1.555760197580864
Energy: 1.8882417104102436
Energy: 1.8863237956730876
Energy: 1.6308733136887967
Energy: 1.8863237956738441
Energy: 1.9445741793728772
Energy: 1.6730774045209142
Energy: 1.615592810220743
Energy: 1.6730774045201575
Energy: 1.6178385155843518
Energy: 1.6196477062855577
Energy: 1.9129026504833742
Energy: 1.6196477062870704
Energy: 2.1733725259141234
Energy: 1.639879276257141
Energy: 1.647358741166786
Energy: 1.639879276258654
Energy: 1.6462911050670666
Energy: 1.8957250196750954
Energy: 1.81804149510883
Energy: 1.8957250196781215
Energy: 1.6388425176157533
Energy: 1.8925624725730277
Energy: 1.6180111166884619
Energy: 1.8925624725730277
Energy: 1.6729481290521058
Energy: 1.7094672154665573
Energy: 1.6773073167264332
Energy: 1.7094672154665573
Energy: 1.6310513409570433
Energy: 1.7595678472537013
Energy: 2.109550882161466
Energy: 1.759567847255214
Energy: 1.900161378259947
Energy: 1.753051097580294
Energy: 1.6518039216113751
Energy: 1.753051097580294
Energy: 1.620564851511887
Energy: 1.681437515477787
Energy: 1.96744267310442
Energy: 1.6814375154792998
Energy: 1.8861731562052697
Energy: 1.7974407802016326
Energy: 1.5797862513742817
Energy: 1.7974407802001198
Energy: 1.6203240197921782
Energy: 1.7536994235978305
Energy: 1.8588772244113303
Energy: 1.7536994236001002
Energy: 1.6249080149133763
Energy: 1.8912853916243606
Energy: 1.8477074666554882
Energy: 1.8912853916273862
Energy: 1.755834461329606
Energy: 1.8610961329674902
Energy: 1.6214595539716903
Energy: 1.861096132969003
Energy: 1.6317443274231935
Energy: 1.6402272652211856
Energy: 1.9461555168551241
Energy: 1.6402272652234546
Energy: 1.9978858468367517
Energy: 1.7454947179484102
Energy: 1.621675872616103
Energy: 1.7454947179476537
Energy: 1.6154484899182824
Energy: 1.6987526630668544
Energy: 1.8639604715689047
Energy: 1.6987526630630718
Energy: 1.8242713545354494
Energy: 1.8839482594803758
Energy: 1.8383138948889985
Energy: 1.8839482594826453
Energy: 1.7673680911445482
Energy: 1.5804571594149328
Energy: 1.642323663754994
Energy: 1.58045715941342
Energy: 1.6166264511367787
Energy: 1.7122343596973706
Energy: 1.722255455897053
Energy: 1.7122343597019092
Energy: 2.0762308158587035
Energy: 1.7591451976527965
Energy: 1.6265616514095007
Energy: 1.7591451976543093
Energy: 1.6171149252164
Energy: 1.7632427730341365
Energy: 2.090031597496092
Energy: 1.7632427730341365
Energy: 1.7154826332173885
Energy: 1.5542684284535884
Energy: 1.616094518146913
Energy: 1.554268428454345
Energy: 1.7461911696534922
Energy: 1.856770505785213
Energy: 1.8768713830430428
Energy: 1.856770505785213
Energy: 1.6374330312412966
Energy: 1.8274715783057183
Energy: 1.887474295194416
Energy: 1.8274715783019362
Energy: 1.7302612225998673
Energy: 1.5535118849333882
Energy: 1.6146081235468732
Energy: 1.5535118849341447
Energy: 1.6165459429077895
Energy: 1.786970560279855
Energy: 2.0888790475744887
Energy: 1.786970560279855
Energy: 1.9874081492083127
Energy: 1.7204173938407195
Energy: 1.6250634343266133
Energy: 1.7204173938437455
Energy: 1.6197828401369359
Energy: 1.7069739967794135
Energy: 1.6999814519381111
Energy: 1.706973996778657
Energy: 1.6724125234916027
Energy: 1.7771308899815477
Energy: 1.6430592813388647
Energy: 1.7771308899823042
Energy: 1.8443760703284464
Energy: 1.9250992797426234
Energy: 1.8282352706334735
Energy: 1.9250992797426234
Energy: 1.6113146744560087
Energy: 1.9660160343200839
Energy: 2.0999922342869346
Energy: 1.9660160343208402

minimum gb energy = 1.5535118849333882 eV
minimum distance =  2.23685785003535 Angstroms
sigma value = 73


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

Energy: 1.6672653730632352
Energy: 1.6673649958811565
Energy: 2.0514181233301767
Energy: 1.6673649958787562
Energy: 1.71398192476929
Energy: 1.7038987653048403
Energy: 1.5539366881520131
Energy: 1.7038987653048403
Energy: 1.6786824418225947
Energy: 1.6654874623111862
Energy: 1.590876922022552
Energy: 1.665487462309986
Energy: 1.6868302065671419
Energy: 1.7995189206835718
Energy: 1.598463369875303
Energy: 1.7995189206835718
Energy: 1.6983022060312756
Energy: 1.7215769773655967
Energy: 1.5900795958653327
Energy: 1.7215769773655967
Energy: 1.6290646474786097
Energy: 1.600336428041023
Energy: 2.099195730940347
Energy: 1.600336428041023
Energy: 2.1736562107436663
Energy: 1.8136248139747364
Energy: 1.653473032519841
Energy: 1.8136248139747364
Energy: 1.6588772987111289
Energy: 1.553020459048053
Energy: 1.931639203216996
Energy: 1.553020459048053
Energy: 2.096535391659589
Energy: 1.5535031018870542
Energy: 1.5535371758148198
Energy: 1.5535031018870542
Energy: 1.553225974341266
Energy: 1.7753646022553293
Energy: 1.552718871426631
Energy: 1.7753646022553293
Energy: 1.612239513703331
Energy: 1.5536055973303027
Energy: 1.9739673464732093
Energy: 1.5536055973303027
Energy: 1.7839481871302438
Energy: 1.79901547109124
Energy: 1.6441705726567695
Energy: 1.7990154710900397
Energy: 1.6278158214520018
Energy: 1.675970096272809
Energy: 1.910399324862298
Energy: 1.675970096272809
Energy: 2.07678006247558
Energy: 1.7815991830977793
Energy: 1.6829412233358576
Energy: 1.7815991830977793
Energy: 1.633708657433202
Energy: 1.8136790537397618
Energy: 1.9969620581995051
Energy: 1.8136790537409622
Energy: 1.9986240998300364
Energy: 1.5534343906122923
Energy: 1.6562710650277346
Energy: 1.5534343906122923
Energy: 1.6656417988448877
Energy: 1.6677835424782652
Energy: 1.5539981219515946
Energy: 1.6677835424782652
Energy: 1.666470990777236
Energy: 1.7986144834924234
Energy: 1.6519224781399537
Energy: 1.7986144834959967
Energy: 1.7932622871752175
Energy: 1.5528979039066872
Energy: 1.6548238967753475
Energy: 1.552897903905487
Energy: 1.6364618120440784
Energy: 1.7492108844754344
Energy: 2.0503144884252933
Energy: 1.7492108844754344
Energy: 2.087305936160672
Energy: 1.6004367136581474
Energy: 1.6836595250653248
Energy: 1.6004367136569475
Energy: 1.5981733125271738
Energy: 1.7144127467439036
Energy: 1.8607651159829646
Energy: 1.7144127467439036

minimum gb energy = 1.552718871426631 eV
minimum distance =  2.25083109877988 Angstroms
sigma value = 7


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

Energy: 1.5805040899615226
Energy: 1.5816055572636967
Energy: 2.1588552985863725
Energy: 1.5816055572619994
Energy: 2.0324867284215675
Energy: 1.729842083884416
Energy: 1.6105164165647305
Energy: 1.729842083884416
Energy: 1.6340639916207884
Energy: 1.82333924040028
Energy: 1.5899629153034884
Energy: 1.8233392404019773
Energy: 1.5886390505232568
Energy: 1.6877304481994322
Energy: 1.6104960392140357
Energy: 1.6877304481994322
Energy: 1.6290451603272054
Energy: 1.6852028354209727
Energy: 1.575579840059006
Energy: 1.68520283542267
Energy: 1.6284308777665506
Energy: 1.5805097741481855
Energy: 2.040270598950808
Energy: 1.5805097741481855
Energy: 1.7534874805061518
Energy: 1.8310556546703154
Energy: 1.5906158368412848
Energy: 1.8310556546737098
Energy: 1.6289163400465505
Energy: 1.5810116439679391
Energy: 2.1286581352414924
Energy: 1.5810116439662414
Energy: 1.7783992254945589
Energy: 1.670922852915417
Energy: 1.6368699821270747
Energy: 1.670922852915417
Energy: 1.6085271894320243
Energy: 1.6880513516467317
Energy: 1.7504437381897462
Energy: 1.6880513516467317
Energy: 1.5865143015564667
Energy: 1.8230667444595101
Energy: 1.5751076556279606
Energy: 1.8230667444578126
Energy: 1.5819998597121412
Energy: 1.684599025683637
Energy: 1.5754974914905127
Energy: 1.6845990256844856
Energy: 1.5813422546439948
Energy: 1.582900243805256
Energy: 1.5762229692124379
Energy: 1.5829002438069533
Energy: 1.5901965996960843
Energy: 1.5748406252672658
Energy: 1.6379931066016749
Energy: 1.5748406252630225
Energy: 1.609392464773385
Energy: 1.8831226750014072
Energy: 1.8063203766588263
Energy: 1.8831226750005583
Energy: 2.2053439310956677
Energy: 1.572627485723529
Energy: 1.6532520628210428
Energy: 1.5726274857243778
Energy: 1.6085738722553318
Energy: 1.685506728395623
Energy: 1.7818575392150253
Energy: 1.685506728395623
Energy: 1.5986938912979052
Energy: 1.863538229604714
Energy: 1.637912308185594
Energy: 1.8635382296064114
Energy: 1.6084482986143465
Energy: 1.8232642278124545
Energy: 1.6398924393980152
Energy: 1.8232642278150004
Energy: 1.6095712078503255
Energy: 1.686785152110377
Energy: 1.5737952065196026
Energy: 1.686785152110377
Energy: 1.5869508641348329
Energy: 1.820610789429242
Energy: 1.6379566990505143
Energy: 1.8206107894300907
Energy: 1.6281201633737736
Energy: 1.8195773711770016
Energy: 1.7408129297268968
Energy: 1.8195773711770016
Energy: 2.0444188930528417
Energy: 1.674585676611265
Energy: 1.6304368982984534
Energy: 1.674585676612962
Energy: 1.5868488826588936
Energy: 1.5811161957156714
Energy: 2.070436050484756
Energy: 1.58111619571652
Energy: 1.6105204836737292
Energy: 1.6875726141034266
Energy: 1.5947840371147473
Energy: 1.6875726141042753
Energy: 1.5862998528669299
Energy: 1.8195280001334682
Energy: 1.5747856336877062
Energy: 1.819528000130922
Energy: 1.6297631576396598
Energy: 1.6890342017753923
Energy: 1.5963894876140046
Energy: 1.6890342017770896
Energy: 1.6644661656144548
Energy: 1.6846012567078568
Energy: 1.610375463713344
Energy: 1.6846012567061592
Energy: 1.6419470271116186
Energy: 1.5818811970479865
Energy: 1.7840522696839964
Energy: 1.5818811970471376
Energy: 1.5851018864708069
Energy: 1.6337180987508282
Energy: 1.6088414097733537
Energy: 1.6337180987516766
Energy: 1.6419505130074414
Energy: 1.5815970232927994
Energy: 2.0166302301328503
Energy: 1.5815970232902534

minimum gb energy = 1.572627485723529 eV
minimum distance =  2.23267919268 Angstroms
sigma value = 29


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

Energy: 1.4820285510884792
Energy: 1.4745941686966113
Energy: 1.9440880960844913
Energy: 1.474594168696874
Energy: 1.4243793917010776
Energy: 1.4829487812239786
Energy: 1.4798530861858
Energy: 1.482948781223683
Energy: 1.5990095638420405
Energy: 1.5505813112135867
Energy: 1.7328930092610273
Energy: 1.5505813112138822
Energy: 1.4797527733896698
Energy: 1.4248185905094712
Energy: 1.480042989717323
Energy: 1.424818590509734
Energy: 1.482431975406476
Energy: 1.5228933791125159
Energy: 1.7331551981765416
Energy: 1.5228933791125159
Energy: 1.4752408982180791
Energy: 1.5515231525279822
Energy: 1.4752697893286217
Energy: 1.5515231525279822
Energy: 1.4752946654027164
Energy: 1.523033533487563
Energy: 1.4824198313150683
Energy: 1.5230335334878586
Energy: 1.4800916966174305
Energy: 1.424684398976188
Energy: 1.4797493205901464
Energy: 1.4246843989767792
Energy: 1.7328583295798032
Energy: 1.5505702318002674
Energy: 1.7328996027278987
Energy: 1.5505702318002674

minimum gb energy = 1.4243793917010776 eV
minimum distance =  2.29299265419292 Angstroms
sigma value = 5


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

Energy: 1.4894982385435123
Energy: 1.4945245365472135
Energy: 1.86950783381175
Energy: 1.4945245365472135
Energy: 1.7288880747133977
Energy: 1.5809800676752568
Energy: 1.5070694231102029
Energy: 1.5809800676760586
Energy: 1.4617499520784436
Energy: 1.4881626871335798
Energy: 1.764345836494086
Energy: 1.4881626871335798
Energy: 1.5100378195790165
Energy: 1.5704071316820605
Energy: 1.4670883210460528
Energy: 1.5704071316820605
Energy: 1.4869402593812109
Energy: 1.5763301827730158
Energy: 1.728495527193174
Energy: 1.5763301827738174
Energy: 1.587021166268682
Energy: 1.4962899023976515
Energy: 1.4608157255021603
Energy: 1.49628990239685
Energy: 1.463194435123434
Energy: 1.5739857928229741
Energy: 1.450903767334592
Energy: 1.5739857928237757
Energy: 1.457221223061661
Energy: 1.4969446773616117
Energy: 1.4694491213217231
Energy: 1.4969446773600084
Energy: 1.4625718038165951
Energy: 1.5748595368234772
Energy: 1.4937801361799967
Energy: 1.5748595368234772
Energy: 1.4623702751990741
Energy: 1.5750148228075056
Energy: 1.509928850013976
Energy: 1.5750148228075056
Energy: 1.5165124732533624
Energy: 1.5712101678098818
Energy: 1.4643583811315135
Energy: 1.5712101678130885
Energy: 1.5118229902705875
Energy: 1.4797115328782238
Energy: 1.4944375104583179
Energy: 1.4797115328774224
Energy: 1.6594694527895704
Energy: 1.496085033051684
Energy: 1.4933422234988258
Energy: 1.4960850330508824
Energy: 1.4844528318860961
Energy: 1.495225283610947
Energy: 1.479469041849788
Energy: 1.4952252836101454
Energy: 1.8304708819122852
Energy: 1.5692826217722036
Energy: 1.4644531315640545
Energy: 1.5692826217730051
Energy: 1.4650107875270453
Energy: 1.4882108263282965
Energy: 1.8425689000831926
Energy: 1.4882108263274947
Energy: 1.71219759925323
Energy: 1.4816006756607578
Energy: 1.4880375288030152
Energy: 1.4816006756599562
Energy: 1.469948059089023
Energy: 1.4948931406446135
Energy: 1.990453675711664
Energy: 1.4948931406446135
Energy: 1.5468321928391147
Energy: 1.576858026536042
Energy: 1.457593832997364
Energy: 1.576858026536042
Energy: 1.4822304223661593
Energy: 1.5913050686621537
Energy: 1.4731836617334841
Energy: 1.591305068663757
Energy: 1.4788148840245054
Energy: 1.5683154570324744
Energy: 1.4626382498952484
Energy: 1.5683154570332762
Energy: 1.5157450391374976
Energy: 1.5747317955018996
Energy: 1.4634945613663506
Energy: 1.5747317955018996
Energy: 1.501443343970442
Energy: 1.496274902179665
Energy: 1.5147443093789013
Energy: 1.496274902179665
Energy: 1.4938800241847
Energy: 1.5056952551732117
Energy: 1.5074607577020098
Energy: 1.5056952551724099
Energy: 1.4935187605353628
Energy: 1.4888652040670063
Energy: 1.4680164261595758
Energy: 1.4888652040662047
Energy: 1.5211789001515654
Energy: 1.495460425315296
Energy: 1.489803930565276
Energy: 1.495460425315296
Energy: 1.4670395905611542
Energy: 1.4537220565210829
Energy: 1.5569391944604862
Energy: 1.4537220565210829
Energy: 1.8672014590171595
Energy: 1.5818563539620358
Energy: 1.4647115332502358
Energy: 1.5818563539604324
Energy: 1.4765692563770512
Energy: 1.4694513058128504
Energy: 1.7701190384846466
Energy: 1.4694513058120489
Energy: 1.9988802853063203
Energy: 1.6396805401581345
Energy: 1.4697488357301305
Energy: 1.6396805401589363
Energy: 1.4590020226653144
Energy: 1.473551119648389
Energy: 1.7416187118328474
Energy: 1.4735511196475874
Energy: 1.7137399470946981
Energy: 1.5745014743036436
Energy: 1.4772326656201005
Energy: 1.5745014743036436
Energy: 1.4679150135584558
Energy: 1.8054127207304558
Energy: 1.5106369294077526
Energy: 1.8054127207304558

minimum gb energy = 1.450903767334592 eV
minimum distance =  2.22086564219389 Angstroms
sigma value = 1


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

Energy: 1.5978446237485033
Energy: 1.5990285805604136
Energy: 1.9655514269853083
Energy: 1.5990285805604136
Energy: 1.5684750840734605
Energy: 1.5436682089989338
Energy: 1.432214787769231
Energy: 1.5436682089989338
Energy: 1.4161858156473455
Energy: 1.4416614454604002
Energy: 1.6912703073525468
Energy: 1.4416614454604002
Energy: 1.4558371958372565
Energy: 1.5471401983649054
Energy: 1.4317500290549787
Energy: 1.5471401983649054
Energy: 1.427270336694596
Energy: 1.4416625272039387
Energy: 1.7653672358706327
Energy: 1.4416625272039387
Energy: 1.4034600438100697
Energy: 1.445034868433193
Energy: 1.4316180463300252
Energy: 1.4450348684320846
Energy: 1.415937922237933
Energy: 1.5931355379808456
Energy: 1.434781411068966
Energy: 1.5931355379797372
Energy: 1.4129279707787783
Energy: 1.4451924394595683
Energy: 1.429302967649652
Energy: 1.445192439460677
Energy: 1.4409731698946393
Energy: 1.4516643407877083
Energy: 1.458511780563692
Energy: 1.4516643407888166
Energy: 1.4411531893515266
Energy: 1.4524895932317872
Energy: 1.4843643743355373
Energy: 1.4524895932306785
Energy: 1.413428079214392
Energy: 1.4448282147957727
Energy: 1.4598808323494854
Energy: 1.4448282147957727
Energy: 1.4166865778471107
Energy: 1.5771924929916774
Energy: 1.640119115884593
Energy: 1.5771924929916774
Energy: 1.404523838234593
Energy: 1.4449973869553636
Energy: 1.4334908517534195
Energy: 1.444997386953197
Energy: 1.4289854970862077
Energy: 1.4485659026040756
Energy: 1.4418630776002335
Energy: 1.448565902602967
Energy: 1.5877316335824936
Energy: 1.5433942353174643
Energy: 1.4340901502649377
Energy: 1.5433942353196815
Energy: 1.4159598943052798
Energy: 1.44160898142821
Energy: 1.810883825424145
Energy: 1.4416089814271018
Energy: 2.025075078804764
Energy: 1.471754654723562
Energy: 1.4291211270289188
Energy: 1.471754654723562
Energy: 1.5978446237496118
Energy: 1.5990285805604136
Energy: 1.965546443710322
Energy: 1.5990285805604136
Energy: 1.568475084072352
Energy: 1.543668209000042
Energy: 1.432214787769231
Energy: 1.543668209000042
Energy: 1.416185815648454
Energy: 1.4416614454604002
Energy: 1.6912703073525468
Energy: 1.4416614454604002
Energy: 1.4558371958350396
Energy: 1.547140198363797
Energy: 1.4317500290549787
Energy: 1.547140198363797
Energy: 1.4272703366957045
Energy: 1.4416625272039387
Energy: 1.7653672358706327
Energy: 1.4416625272039387
Energy: 1.4034600438111784
Energy: 1.445034868433193
Energy: 1.4316180463289168
Energy: 1.4450348684320846
Energy: 1.415937922237933
Energy: 1.5931355379808456
Energy: 1.434781411068966
Energy: 1.5931355379786285

minimum gb energy = 1.4034600438100697 eV
minimum distance =  2.24129566822115 Angstroms
sigma value = 17


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

Energy: 1.4339689442624537
Energy: 1.4343778170139851
Energy: 1.832295106044082
Energy: 1.4343778170139851
Energy: 1.6336512561868706
Energy: 1.423080431546439
Energy: 1.4073458879616092
Energy: 1.423080431546439
Energy: 1.404046602163513
Energy: 1.4193493577610927
Energy: 1.757304396363491
Energy: 1.4193493577610927
Energy: 1.6100286360480605
Energy: 1.6964354107527204
Energy: 1.401701742955755
Energy: 1.6964354107547759
Energy: 1.4052115416448856
Energy: 1.435147740793969
Energy: 1.8059170522363288
Energy: 1.435147740793284
Energy: 1.444500550982377
Energy: 1.910566005247128
Energy: 1.4169592722571465
Energy: 1.910566005247128
Energy: 1.4344348828098281
Energy: 1.504599929193291
Energy: 1.419329117641148
Energy: 1.504599929192606
Energy: 1.4296659006016363
Energy: 1.71543728258712
Energy: 1.4014318091127265
Energy: 1.7154372825864348
Energy: 1.4345309657328955
Energy: 1.7151124442200407
Energy: 1.48136587001665
Energy: 1.7151124442193557
Energy: 1.4193795854460065
Energy: 1.7144144872865412
Energy: 1.4159639317805974
Energy: 1.714414487285856
Energy: 1.3960043074782864
Energy: 1.6918982495754193
Energy: 1.4112815720848129
Energy: 1.6918982495747341
Energy: 1.3947243488884091
Energy: 1.4997880834084436
Energy: 1.3940294054732363
Energy: 1.4997880834098136
Energy: 1.438148294037906
Energy: 1.7067828647143755
Energy: 1.40569090326107
Energy: 1.7067828647321879
Energy: 1.4351219319828434
Energy: 1.5238427929654332
Energy: 1.4329257069464496
Energy: 1.5238427929661182
Energy: 1.4270641036211849
Energy: 1.699769889676292
Energy: 1.4465777038735779
Energy: 1.6997698896756068
Energy: 1.410604744288869
Energy: 1.420704764703959
Energy: 1.7774821204764997
Energy: 1.420704764703959
Energy: 1.4738630045795464
Energy: 1.7003400480844895
Energy: 1.405664358776412
Energy: 1.700340048086545
Energy: 1.3955783272151765
Energy: 1.5653111943821634
Energy: 1.7039891542520644
Energy: 1.5653111943828486
Energy: 1.6303718639544753
Energy: 1.694562851925704
Energy: 1.4066349431227934
Energy: 1.6945628519263893
Energy: 1.4108954329531882
Energy: 1.4197391904973786
Energy: 1.5742767416867218
Energy: 1.4197391904966936
Energy: 1.5067800664125734
Energy: 1.413158172134374
Energy: 1.4316208494050655
Energy: 1.4131581721350588
Energy: 1.4321482131800956
Energy: 1.5668518197732655
Energy: 1.5094780316916967
Energy: 1.5668518197725803
Energy: 1.6342646371013896
Energy: 1.7078492445964597
Energy: 1.4134114463797984
Energy: 1.7078492445964597
Energy: 1.407415477631946
Energy: 1.4129234904591363
Energy: 1.632292631044416
Energy: 1.4129234904557106
Energy: 1.499421799657346
Energy: 1.5652086202514244
Energy: 1.3980639049175265
Energy: 1.5652086202521096
Energy: 1.4088105716822934
Energy: 1.5257049028364513
Energy: 1.4718238033178024
Energy: 1.5257049028371366
Energy: 1.6193749496883605
Energy: 1.4892803621077362
Energy: 1.4136417937257706
Energy: 1.4892803621104767
Energy: 1.4449273561636635
Energy: 1.7005559599900968
Energy: 1.4269192122108225
Energy: 1.700555959990782
Energy: 1.4330451979369951
Energy: 1.5231643182793535
Energy: 1.4295033591572843
Energy: 1.5231643182793535
Energy: 1.4089799358523547
Energy: 1.7044797579492437
Energy: 1.4932583484436532
Energy: 1.704479757949929
Energy: 1.3939134649897333
Energy: 1.5228824402803267
Energy: 1.3949236172791926
Energy: 1.522882440281012
Energy: 1.4087356152503239
Energy: 1.6950992552260173
Energy: 1.4050798666162396
Energy: 1.6950992552239623
Energy: 1.4137556843414452
Energy: 1.495876850703685
Energy: 1.643457244926976
Energy: 1.4958768507064255
Energy: 1.485247616954352
Energy: 1.7198202756980752
Energy: 1.4200233923688377
Energy: 1.7198202756987604
Energy: 1.399486949729508
Energy: 1.4356904563009611
Energy: 1.4701558984327907
Energy: 1.4356904563002764
Energy: 1.4190390839145903
Energy: 1.5069549761247842
Energy: 1.4324432041922235
Energy: 1.5069549761254695
Energy: 1.413194187873057
Energy: 1.9090904634847004
Energy: 1.4284388028436097
Energy: 1.9090904634833301
Energy: 1.8069139837052197
Energy: 1.5268465203402553
Energy: 1.410924494650237
Energy: 1.5268465203423105

minimum gb energy = 1.3939134649897333 eV
minimum distance =  2.23278146235641 Angstroms
sigma value = 89


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

Energy: 1.2778413182531028
Energy: 1.2779924421988724
Energy: 2.078548010447042
Energy: 1.2779924421988724
Energy: 1.2781408371402772
Energy: 1.3159059906885326
Energy: 1.300434873096459
Energy: 1.3159059906885326
Energy: 1.2971831974686296
Energy: 1.3762932995652042
Energy: 2.206562952766293
Energy: 1.3762932995652042
Energy: 1.3217241433005515
Energy: 1.3162466394440597
Energy: 1.3008706128700838
Energy: 1.3162466394440597
Energy: 1.2966490765581031
Energy: 1.4101476680872456
Energy: 2.1241927899991837
Energy: 1.4101476680872456
Energy: 1.2968151341701435
Energy: 1.278771936416925
Energy: 1.2774760560775174
Energy: 1.278771936416925
Energy: 1.2974146893953782
Energy: 1.5094585847059918
Energy: 1.2780506772213744
Energy: 1.5094585847059918
Energy: 1.318705564342111
Energy: 1.5092632415546234
Energy: 1.2998053977820403
Energy: 1.5092632415546234
Energy: 1.296958753833155
Energy: 1.4098433189557047
Energy: 1.2835683810466492
Energy: 1.409843318953912
Energy: 1.3153863286768215
Energy: 1.278953093741617
Energy: 1.2966566323541595
Energy: 1.278953093741617
Energy: 1.2776300244496002
Energy: 1.316812463428721
Energy: 1.2966593988977957
Energy: 1.316812463428721
Energy: 1.2777350229099464
Energy: 1.5104010568797646
Energy: 1.3006837489024177
Energy: 1.5104010568797646
Energy: 1.2967187563765876
Energy: 1.2800944301869606
Energy: 1.315598092496109
Energy: 1.2800944301851682
Energy: 1.2969256728078271
Energy: 1.4089753782868208
Energy: 1.2970053155846055
Energy: 1.4089753782868208
Energy: 1.2836059229171801
Energy: 1.280061695000889
Energy: 1.2965861549191213
Energy: 1.2800616950026815

minimum gb energy = 1.2774760560775174 eV
minimum distance =  2.25570584831018 Angstroms
sigma value = 13


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

Energy: 1.2847086326937596
Energy: 1.2519376733063874
Energy: 1.727437924252665
Energy: 1.251937673206529
Energy: 1.4889845209754606
Energy: 1.645703918907162
Energy: 1.2444450758117085
Energy: 1.6457039189041567
Energy: 1.252900895143733
Energy: 1.4363102317346508
Energy: 1.9300454948847796
Energy: 1.436310231682809
Energy: 1.245647446775023
Energy: 1.4678158837388149
Energy: 1.2420783470211267
Energy: 1.467815883743323
Energy: 1.259494317582375
Energy: 1.5285455641637407
Energy: 1.3329275449998734
Energy: 1.528545564159984
Energy: 1.2436275361106983
Energy: 1.2849500769945272
Energy: 1.2586886657676326
Energy: 1.284950076991522
Energy: 1.2599093893219997
Energy: 1.450510672227718
Energy: 1.6174907705298132
Energy: 1.450510672227718
Energy: 1.247589112875039
Energy: 1.4670878338982323
Energy: 1.2588186970729378
Energy: 1.4670878339004862
Energy: 1.2597894034417902
Energy: 1.348592496009064
Energy: 1.4745474898174178
Energy: 1.3485924960053073
Energy: 1.4800734012083343
Energy: 1.5487528508685862
Energy: 1.2424305460195337
Energy: 1.5487528508708404
Energy: 1.2604360450674879
Energy: 1.3709720416368905
Energy: 1.243695307416172
Energy: 1.3709720416391444
Energy: 1.6120080258228762
Energy: 1.5489166939265784
Energy: 1.250890986470774
Energy: 1.548916693925076
Energy: 1.293936526192177
Energy: 1.2664680418316638
Energy: 1.2572377473739114
Energy: 1.2664680418354204
Energy: 1.6249882984760682
Energy: 1.3710123022013827
Energy: 1.2506910980092985
Energy: 1.3710123022021339
Energy: 1.2608183464148943
Energy: 1.2494950270231788
Energy: 1.2530144205703766
Energy: 1.2494950270201735
Energy: 1.2412507597290101
Energy: 1.370612085216624
Energy: 1.239449603864158
Energy: 1.3706120852218833
Energy: 1.2568429807687125
Energy: 1.3364854420169028
Energy: 1.2395178632051729
Energy: 1.3364854420169028
Energy: 1.280886942417674
Energy: 1.345222065744879
Energy: 1.2542349765447707
Energy: 1.3452220657433764
Energy: 1.2571817738007993
Energy: 1.2678790279347127
Energy: 1.2544100111529006
Energy: 1.2678790279347127
Energy: 1.2567971323454172
Energy: 1.2679356098397347
Energy: 1.2543510137386649
Energy: 1.2679356098419887
Energy: 1.2805187913743183
Energy: 1.3453633355239032
Energy: 1.2543137087551592
Energy: 1.3453633355201464
Energy: 1.2567187791447365
Energy: 1.3364821534697118
Energy: 1.23937658797622
Energy: 1.3364821534697118
Energy: 1.241072675328406
Energy: 1.3707192684735365
Energy: 1.2392922746081239
Energy: 1.3707192684735365
Energy: 1.2603811927561959
Energy: 1.2493569475244626
Energy: 1.2552530805645055
Energy: 1.2493569475267166
Energy: 1.6252591944656032
Energy: 1.5993245501897466
Energy: 1.2513740022027595
Energy: 1.5993245501897466
Energy: 1.2940893210567088
Energy: 1.2665626424630918
Energy: 1.2561408359189075
Energy: 1.266562642461589
Energy: 1.612072565359637
Energy: 1.548855013650543
Energy: 1.2509651958091588
Energy: 1.548855013650543
Energy: 1.2604768453739885
Energy: 1.3711354427128848
Energy: 1.2431769272124222
Energy: 1.3711354427106306
Energy: 1.4801012940413814
Energy: 1.5489198622327935
Energy: 1.2421045305148146
Energy: 1.5489198622350475
Energy: 1.2605924821473053
Energy: 1.3487162021854424
Energy: 1.6934463277094212
Energy: 1.3487162021711672
Energy: 1.2481096010405242
Energy: 1.4660829774137665
Energy: 1.2587901355565954
Energy: 1.466082977412264
Energy: 1.25945651912945
Energy: 1.4507172605621281
Energy: 1.8015409000472096
Energy: 1.4507172605606253
Energy: 1.2436122961519707
Energy: 1.278237442709171
Energy: 1.2587760492426114
Energy: 1.278237442711425
Energy: 1.25990799046706
Energy: 1.5284900824454435
Energy: 1.3195968122974056
Energy: 1.5284900824454435
Energy: 1.2458688210558972
Energy: 1.4674734573014476
Energy: 1.242369835049827
Energy: 1.4674734572984423

minimum gb energy = 1.2392922746081239 eV
minimum distance =  2.23388253952188 Angstroms
sigma value = 37


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

Energy: 1.3588401365978617
Energy: 1.3586343223733879
Energy: 1.1874187633067086
Energy: 1.3586343223733879
Energy: 1.4485548161168222
Energy: 1.593020368241916
Energy: 1.1597324371832682
Energy: 1.593020368241916
Energy: 1.180485269095638
Energy: 1.629692389132335
Energy: 1.5697193783309025
Energy: 1.629692389132335
Energy: 1.3014530665012307
Energy: 1.3447414160803577
Energy: 1.1604033469928503
Energy: 1.3447414160816504
Energy: 1.1592370393515754
Energy: 1.184839421957507
Energy: 1.3011972655186013
Energy: 1.184839421957507
Energy: 1.1974732370463743
Energy: 1.7531218900385739
Energy: 1.3044663461148653
Energy: 1.7531218900385739
Energy: 1.1751858503402013
Energy: 1.93375439209639
Energy: 1.6350882994428368
Energy: 1.93375439209639
Energy: 1.1428373250449786
Energy: 1.1858174518536493
Energy: 1.19005047151503
Energy: 1.1858174518536493
Energy: 1.1605821704916781
Energy: 1.5925936270537588
Energy: 1.4667019136540742
Energy: 1.5925936270537588
Energy: 1.5691029212574938
Energy: 1.6306367896494924
Energy: 1.303363601767325
Energy: 1.6306367896494924
Energy: 1.1584240913984474
Energy: 1.8351091073856574
Energy: 1.301115413483732
Energy: 1.83510910738695
Energy: 1.5446150750530998
Energy: 1.1853004272903862
Energy: 1.160337466985443
Energy: 1.1853004272916787
Energy: 1.3007161585322318
Energy: 1.592472756696118
Energy: 1.3651836524045342
Energy: 1.592472756696118
Energy: 1.6372369472711457
Energy: 1.9351371787570109
Energy: 1.142620710563524
Energy: 1.9351371787570109
Energy: 1.3577209887718071
Energy: 1.392888904985724
Energy: 1.1427486435837457
Energy: 1.3928889049844313
Energy: 1.3580895157602635
Energy: 1.5931711736513539
Energy: 1.1596621516679246
Energy: 1.5931711736526464
Energy: 1.300610610423874
Energy: 1.3299663371636936
Energy: 1.1606388022643996
Energy: 1.3299663371636936
Energy: 1.3008707798465227
Energy: 1.8354640983316381
Energy: 1.1583700348482513
Energy: 1.8354640983303454
Energy: 1.1584406372348302
Energy: 1.1866319458054582
Energy: 1.158527934429715
Energy: 1.1866319458054582
Energy: 1.1587167475424278
Energy: 1.5928466698039265
Energy: 1.300763425576795
Energy: 1.5928466698039265

minimum gb energy = 1.142620710563524 eV
minimum distance =  2.23148447551777 Angstroms
sigma value = 25


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

Energy: 1.2346384215167958
Energy: 1.7571137773689371
Energy: 1.0526586212054365
Energy: 1.757113777367928
Energy: 1.4833564840028406
Energy: 1.298428620710366
Energy: 1.047475522689923
Energy: 1.298428620710366
Energy: 1.1704273879300708
Energy: 1.1709176277661886
Energy: 1.3572402379756614
Energy: 1.1709176277661886
Energy: 1.2515067888565683
Energy: 1.4402727471198224
Energy: 1.055616044878207
Energy: 1.4402727471178038
Energy: 1.0640252722887789
Energy: 1.298956659846427
Energy: 1.1372334434632272
Energy: 1.298956659846427
Energy: 1.1447279441815619
Energy: 1.2941439835350674
Energy: 1.0660806933108666
Energy: 1.2941439835350674
Energy: 1.0504181655609
Energy: 1.0439691258326955
Energy: 1.252636514319209
Energy: 1.0439691258316863
Energy: 1.0365925440855943
Energy: 1.4473778035852598
Energy: 1.1727091116295978
Energy: 1.4473778035852598
Energy: 1.0503679741575032
Energy: 1.2992274515864541
Energy: 1.6286639365884887
Energy: 1.2992274515854447
Energy: 1.0242027821408264
Energy: 1.280561668211828
Energy: 1.1054006888853656
Energy: 1.280561668211828
Energy: 1.0503138920859327
Energy: 1.0434687287207878
Energy: 1.5328021022252099
Energy: 1.0434687287197786
Energy: 1.3585447162910196
Energy: 1.5999000800352896
Energy: 1.1729310194043159
Energy: 1.5999000800352896
Energy: 1.057909713531838
Energy: 1.2098027077240763
Energy: 1.406843537750093
Energy: 1.2098027077250857
Energy: 1.3476729393093902
Energy: 1.3914872997680123
Energy: 1.0660207500951209
Energy: 1.3914872997659935
Energy: 1.0647071135658095
Energy: 1.0413009944431513
Energy: 1.1439847565769112
Energy: 1.0413009944552638
Energy: 1.4424797547497399
Energy: 1.7073665420923316
Energy: 1.0488636167847354
Energy: 1.7073665420943502
Energy: 1.1753597555124258
Energy: 1.4496598447241915
Energy: 1.0253862003309397
Energy: 1.449659844725201
Energy: 1.4277976677198156
Energy: 1.1886993498673204
Energy: 1.0476806165099262
Energy: 1.1886993498552536
Energy: 1.2370787301196386
Energy: 1.0617809692824405
Energy: 1.0240881996238986
Energy: 1.0617809692834501
Energy: 1.674997498603155
Energy: 1.7064782420885858
Energy: 1.0489609226348813
Energy: 1.7064782420906044
Energy: 1.1755561895638773
Energy: 1.706068300752391
Energy: 1.0375623849685305
Energy: 1.7060683007503723
Energy: 1.1702516488248362
Energy: 1.440911507080054
Energy: 1.059161935883092
Energy: 1.4409115070810632
Energy: 1.0645433431376163
Energy: 1.4255628684927681
Energy: 1.3484714200628019
Energy: 1.4255628684937773
Energy: 1.1436264393599243
Energy: 1.7698938160440592
Energy: 1.0648677855491788
Energy: 1.7698938160430495
Energy: 1.04785808679243
Energy: 1.706952561409157
Energy: 1.4424546787352353
Energy: 1.7069525614101664
Energy: 1.0310512182820095
Energy: 1.3305609860539367
Energy: 1.1701714045306797
Energy: 1.3305609860539367

minimum gb energy = 1.0240881996238986 eV
minimum distance =  2.23896752437125 Angstroms
sigma value = 41


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

Energy: 1.3497197300072836
Energy: 1.3510789311368079
Energy: 0.9560570005566367
Energy: 1.3510789311376352
Energy: 1.4172086439829108
Energy: 1.1458492515525698
Energy: 0.9446315316340982
Energy: 1.145849251554225
Energy: 0.9723691250849065
Energy: 0.9422027836198549
Energy: 1.7184905182473027
Energy: 0.9422027836206824
Energy: 1.2140546882703758
Energy: 1.3395569201961444
Energy: 0.9443258685577028
Energy: 1.3395569201969721
Energy: 0.9379945197254063
Energy: 1.369867900100241
Energy: 1.0175685954508786
Energy: 1.369867900100241
Energy: 1.0102710328296878
Energy: 1.1443842061336784
Energy: 0.9444659749513006
Energy: 1.1443842061345058
Energy: 0.9430733894835494
Energy: 1.1451930731117848
Energy: 1.0108549834467944
Energy: 1.1451930731117848
Energy: 0.926851835412147
Energy: 1.1634803603524135
Energy: 0.9393820991872099
Energy: 1.1634803603532413
Energy: 0.9480050828979111
Energy: 1.5294648146401895
Energy: 1.3159115524570357
Energy: 1.5294648146401895
Energy: 0.9293725186683899
Energy: 1.135127526884815
Energy: 0.973702284627478
Energy: 1.1351275268839878
Energy: 0.9432869230852119
Energy: 1.1476476864624179
Energy: 1.5410411440730336
Energy: 1.1476476864624179
Energy: 0.9309148509116909
Energy: 1.3514763864835153
Energy: 1.3510958398948154
Energy: 1.351476386484343
Energy: 0.9480702931304256
Energy: 1.5238488351654091
Energy: 1.6624105986171795
Energy: 1.5238488351654091
Energy: 1.2035678938570045
Energy: 1.355720742297339
Energy: 0.9735474184384889
Energy: 1.3557207422940292
Energy: 0.9433364938256432
Energy: 1.1478000886356066
Energy: 1.3450008063922445
Energy: 1.1478000886347788
Energy: 1.1945332071624575
Energy: 1.3896406663697605
Energy: 0.9394567759169297
Energy: 1.3896406663697605
Energy: 0.9478638487971167
Energy: 1.5236307078671638
Energy: 1.2480854661071676
Energy: 1.5236307078671638
Energy: 1.1888444251275576
Energy: 1.3562578993471421
Energy: 0.9444954490062994
Energy: 1.3562578993438323
Energy: 0.9434955548092425
Energy: 1.1624473867351768
Energy: 0.9261483591768702
Energy: 1.1624473867343492
Energy: 1.179321311296574
Energy: 1.3573736396714309
Energy: 0.9480353865660476
Energy: 1.3573736396697755
Energy: 0.977618419012788
Energy: 1.5236296304172263
Energy: 0.9305892037922717
Energy: 1.5236296304172263
Energy: 1.5410345538232069
Energy: 1.685886894916388
Energy: 0.944649122682059
Energy: 1.685886894916388
Energy: 1.3550467643559896
Energy: 1.3530195669247878
Energy: 0.9308807207081565
Energy: 1.35301956692396
Energy: 1.3500682186660897
Energy: 1.5236663325820943
Energy: 0.9481981889226002
Energy: 1.523666332581267
Energy: 0.9773918954230552
Energy: 1.3362968399082484
Energy: 0.9352572946176411
Energy: 1.3362968399090758
Energy: 1.3324509599477181
Energy: 1.678473114235375
Energy: 0.9444623224497541
Energy: 1.678473114234547
Energy: 0.943246031312127
Energy: 1.5275142854463122
Energy: 1.1945354730965607
Energy: 1.5275142854463122
Energy: 0.9384237406103408
Energy: 1.5245713147034863
Energy: 0.9481161455755148
Energy: 1.5245713147034863
Energy: 0.9483546637548615
Energy: 1.336073189722973
Energy: 1.1888240914121109
Energy: 1.3360731897221452
Energy: 0.925950384756995
Energy: 1.567989687579232
Energy: 0.9494055896352372
Energy: 1.5679896875784045
Energy: 0.9432476058881194
Energy: 1.356287144077127
Energy: 1.1791878946812138
Energy: 1.3562871440779543
Energy: 0.9308163811265944
Energy: 1.5247364905186913
Energy: 0.9826742184825619
Energy: 1.5247364905186913

minimum gb energy = 0.925950384756995 eV
minimum distance =  2.23115385778318 Angstroms
sigma value = 15


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

Energy: 1.2267699845005358
Energy: 1.5083365908127955
Energy: 1.6982700705650868
Energy: 1.5083365908120947
Energy: 1.5606385308672486
Energy: 1.3634377699435754
Energy: 0.8840118936921538
Energy: 1.3634377699407714
Energy: 0.9136702660602856
Energy: 1.2047090567941379
Energy: 1.6179267390086072
Energy: 1.2047090567955399
Energy: 1.3748718925588523
Energy: 1.3688506169518673
Energy: 0.8838868825048638
Energy: 1.3688506169518673
Energy: 0.8800542787205086
Energy: 1.5154206079552506
Energy: 0.8616241477728772
Energy: 1.5154206079559516
Energy: 1.0932439735893198
Energy: 1.364874959016883
Energy: 0.8841094244033858
Energy: 1.364874959016883
Energy: 0.8830503376050441
Energy: 1.2162647057617446
Energy: 0.9225797667145063
Energy: 1.2162647057624458
Energy: 0.9228571158326578
Energy: 1.2174690043203042
Energy: 0.8839731385506777
Energy: 1.217469004316098
Energy: 0.8863028484462521
Energy: 1.517392050750836
Energy: 1.093020913215058
Energy: 1.5173920507494343
Energy: 0.8533310903872008
Energy: 1.3661688989803844
Energy: 0.8808012017255352
Energy: 1.3661688989782814
Energy: 0.8831323370325478
Energy: 1.3636587218124019
Energy: 1.5275541949020992
Energy: 1.3636587218124019
Energy: 0.8563111585178205
Energy: 1.2064887666837012
Energy: 0.9143068446406045
Energy: 1.2064887666977218
Energy: 0.8865329556895393
Energy: 1.5195595503547592
Energy: 1.5332059923902333
Energy: 1.5195595503547592
Energy: 0.8566183698244221
Energy: 1.508924478909569
Energy: 1.2277014377886235
Energy: 1.508924478909569
Energy: 0.8831533456276944
Energy: 1.3633730520828264
Energy: 1.5553799006118758
Energy: 1.3633730520835272
Energy: 1.085633248088303
Energy: 1.2059222919945558
Energy: 0.9144490054831581
Energy: 1.2059222919938546
Energy: 0.8863502432864224
Energy: 1.5194308356376345
Energy: 1.4762373989063604
Energy: 1.5194308356376345
Energy: 1.0819124404472924
Energy: 1.5142679707002322
Energy: 0.8807540856694545
Energy: 1.5142679707002322
Energy: 0.8833598992315105
Energy: 1.3650688340756316
Energy: 1.2038046334792933
Energy: 1.3650688340749306
Energy: 1.0774968582786966
Energy: 1.0497020479054482
Energy: 0.8841516424831797
Energy: 1.0497020478970358
Energy: 0.8865679325857587
Energy: 1.3924413876359387
Energy: 1.1225492515172655
Energy: 1.3924413876359387
Energy: 1.0795178257089293
Energy: 1.3778677962583692
Energy: 0.890496608186147
Energy: 1.3778677962569672
Energy: 0.8832752102472579
Energy: 1.3638233004280018
Energy: 0.8533848067833709
Energy: 1.3638233004287028
Energy: 1.410219361292676
Energy: 1.0442402365569905
Energy: 0.8839248823993735
Energy: 1.0442402365576915
Energy: 0.9168634460725572
Energy: 1.3924316781786885
Energy: 0.8575216930921765
Energy: 1.392431678177987
Energy: 1.3944731755052262
Energy: 1.5226593804151172
Energy: 0.8902734515675419
Energy: 1.522659380415818
Energy: 1.2300646812334697
Energy: 1.5061142980042799
Energy: 0.8572492609192022
Energy: 1.5061142980056819
Energy: 1.5509494390633636
Energy: 1.3634878676079158
Energy: 0.8840988732817235
Energy: 1.3634878676072144
Energy: 0.9166915851180703
Energy: 1.5471721041274853
Energy: 0.8631592268278
Energy: 1.5471721041281865
Energy: 1.2036888297586583
Energy: 1.522999393664317
Energy: 0.8902708841276334
Energy: 1.522999393664317
Energy: 0.8831990688263424
Energy: 1.5087121857730128
Energy: 1.0819153900159746
Energy: 1.5087121857723116
Energy: 1.1930460335556508
Energy: 1.3671245729723365
Energy: 0.8840617601841316
Energy: 1.3671245729723365
Energy: 0.886341472339793
Energy: 1.5395857818526175
Energy: 1.076949780899483
Energy: 1.5395857818526175
Energy: 0.8603229884434829
Energy: 1.3928748230354615
Energy: 0.8901534511201858
Energy: 1.3928748230354615
Energy: 0.8769510401748387
Energy: 1.5081033813683817
Energy: 1.0792507128609787
Energy: 1.5081033813683817
Energy: 0.85317681247982
Energy: 1.0453399803500925
Energy: 0.8872108383992657
Energy: 1.0453399803542986
Energy: 0.886665340710588
Energy: 1.5392800701050424
Energy: 1.4099970228658636
Energy: 1.5392800701057434

minimum gb energy = 0.85317681247982 eV
minimum distance =  2.26776379666743 Angstroms
sigma value = 85


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

Energy: 1.1564379701418477
Energy: 1.4114171987994373
Energy: 1.0683794593686722
Energy: 1.4114171987988293
Energy: 1.6639890728098703
Energy: 1.2689821973575788
Energy: 0.8112238940596233
Energy: 1.2689821973575788
Energy: 1.1091738848104078
Energy: 1.1101493179521615
Energy: 1.0685176504398508
Energy: 1.1101493179509456
Energy: 1.383532562213576
Energy: 0.9800122960257712
Energy: 0.8108691804928323
Energy: 0.9800122960251632
Energy: 0.8502349800311707
Energy: 1.0778198192505504
Energy: 0.77078543254352
Energy: 1.0778198192511586
Energy: 1.229923106060441
Energy: 0.984577040211654
Energy: 0.810836282987302
Energy: 0.9845770402128701
Energy: 0.8069491104955386
Energy: 1.1315574727141493
Energy: 0.8910701657001795
Energy: 1.1315574727147573
Energy: 1.072566248555138
Energy: 1.2687861636565232
Energy: 0.8109368276224853
Energy: 1.2687861636565232
Energy: 0.810104938475628
Energy: 1.0921941661412518
Energy: 1.037877077378019
Energy: 1.092194166140644
Energy: 0.9282070618463263
Energy: 1.1319568972294312
Energy: 0.8078534600518351
Energy: 1.1319568972300391
Energy: 0.8105826662006811
Energy: 1.2746086780002917
Energy: 1.184486285030632
Energy: 1.2746086779990755
Energy: 0.7715606579267772
Energy: 0.9800990447519906
Energy: 0.8509982059405301
Energy: 0.9800990447525986
Energy: 0.8104921314805589
Energy: 1.092354640345988
Energy: 1.398044907215321
Energy: 1.092354640347812
Energy: 0.7743121712312713
Energy: 1.1100673388589073
Energy: 1.1100943232626488
Energy: 1.1100673388589073
Energy: 0.8106139741850767
Energy: 1.268657174152419
Energy: 1.5203899554905707
Energy: 1.2686571741518111
Energy: 0.7737377439923636
Energy: 1.4118400904139923
Energy: 1.1570521831094738
Energy: 1.4118400904139923
Energy: 0.8102545159224565
Energy: 1.092723861067826
Energy: 1.521279445519871
Energy: 1.0927238610684342
Energy: 0.9776787442683628
Energy: 1.1100609448251522
Energy: 1.11023668393297
Energy: 1.1100609448251522
Energy: 0.8106243721551913
Energy: 1.268717938877093
Energy: 1.3829027366571358
Energy: 1.268717938877701
Energy: 0.9681130971946816
Energy: 1.4364702658221484
Energy: 0.8510178386089218
Energy: 1.4364702658221484
Energy: 0.8104222429811779
Energy: 1.0939443727620817
Energy: 1.2297733907504464
Energy: 1.0939443727614735
Energy: 0.9661726478170405
Energy: 1.1360312066983103
Energy: 0.8080662533918915
Energy: 1.1360312066983103
Energy: 0.8115943195286899
Energy: 1.268584435353481
Energy: 1.0729408258872146
Energy: 1.268584435354089
Energy: 0.9721758326908113
Energy: 1.1313717159268966
Energy: 0.8109239489777257
Energy: 1.131371716031418
Energy: 0.8103573719625741
Energy: 0.9799535169668311
Energy: 0.9258991476387303
Energy: 0.9799535169662229
Energy: 1.262402430768803
Energy: 1.1101844184465746
Energy: 0.8118846301413284
Energy: 1.1101844184453586
Energy: 0.8534703518865792
Energy: 0.9802345008174019
Energy: 0.7711940594469024
Energy: 0.9802345008174019
Energy: 1.257464323464276
Energy: 1.432571214996427
Energy: 0.8104603262058281
Energy: 1.432571214996427
Energy: 1.1127170366071046
Energy: 1.1105015287228093
Energy: 0.7743714233836276
Energy: 1.1105015287222013
Energy: 1.5212841479356716
Energy: 1.2683693435477497
Energy: 0.8119163120291033
Energy: 1.2683693435477497
Energy: 1.1590364109221145
Energy: 1.4129286775178271
Energy: 0.7739067911018317
Energy: 1.4129286775184353
Energy: 1.4061019130977794
Energy: 1.4324933404109534
Energy: 0.8111066117052183
Energy: 1.4324933404103455
Energy: 1.11273634372099
Energy: 1.1104330581983204
Energy: 0.7843039588952806
Energy: 1.1104330581989283
Energy: 1.3837131967534035
Energy: 1.2684462960283969
Energy: 0.8100684409354706
Energy: 1.2684462960290048
Energy: 0.8536215922681216
Energy: 1.437171348201589
Energy: 0.9684948230839174
Energy: 1.437171348202197
Energy: 1.0781271866809947
Energy: 1.4256973767612668
Energy: 0.8111224750219028
Energy: 1.4256973767612668
Energy: 0.8105438630897998
Energy: 1.1098740193238201
Energy: 0.9658240886630363
Energy: 1.1098740193232122
Energy: 1.0642156305814852
Energy: 1.109996202454699
Energy: 0.8118221894910007
Energy: 1.109996202452267
Energy: 0.8105520571776528
Energy: 1.3992773210964062
Energy: 0.9723065392307431
Energy: 1.3992773210970142
Energy: 0.7802974752686163
Energy: 1.319329711476085
Energy: 0.8069305816315744
Energy: 1.319329711476085
Energy: 0.8099976550429681
Energy: 1.1101767928736566
Energy: 1.2624410448513719
Energy: 1.1101767928736566
Energy: 0.7709110664994322
Energy: 0.9800033630582021
Energy: 0.8500527702853803
Energy: 0.9800033630569861
Energy: 0.8106538196420945
Energy: 1.3995509275263982
Energy: 1.2568585754550958
Energy: 1.3995509275257902

minimum gb energy = 0.77078543254352 eV
minimum distance =  2.25307514780903 Angstroms
sigma value = 113


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

Energy: 0.020522327935568574
Energy: 0.02143618854749788
Energy: 1.2235835430662498
Energy: 0.021436188548900083
Energy: 1.2229119983182513
Energy: 0.45538606620838046
Energy: 0.45468696028154587
Energy: 0.4553860662079131
Energy: 0.020522327935568574
Energy: 0.02143618854796528
Energy: 1.2239749065168244
Energy: 0.021436188549315553
Energy: 1.2229119983178358
Energy: 0.4553860662079131
Energy: 0.45468696061501096
Energy: 0.4553860662079131
Energy: 0.020522327935568574
Energy: 0.02143618854796528
Energy: 1.223974893808327
Energy: 0.021436188548900083
Energy: 1.2229119983173686
Energy: 0.45538606620838046
Energy: 0.4546869604578601
Energy: 0.4553860662079131

minimum gb energy = 0.020522327935568574 eV
minimum distance =  2.48492829418172 Angstroms
sigma value = 1