Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_003
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=3.606302589178085
cohesive_energy=4.204648203132152
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: 0.016362543594882744
Energy: 0.016899065100513894
Energy: 2.374142671736436
Energy: 0.016899065101144136
Energy: 0.016899065100513894
Energy: 1.7944577646787947
Energy: 0.016899065100513894
Energy: 1.7944577646787947
Energy: 2.3741426717388863
Energy: 0.016899065099883648
Energy: 0.016362543594882744
Energy: 0.016899065100513894
Energy: 0.016899065100513894
Energy: 1.7944577646787947
Energy: 0.016899065100513894
Energy: 1.7944577646794246

minimum gb energy = 0.016362543594882744 eV
minimum distance =  2.44412591448155 Angstroms
sigma value = 1


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

Energy: 1.791425517197913
Energy: 1.8967232592981438
Energy: 1.6495120403238386
Energy: 1.8967232593019656
Energy: 1.7240420242665904
Energy: 1.8854802784676314
Energy: 1.7211806878656017
Energy: 1.8854802784661027
Energy: 1.5664008702476302
Energy: 1.8782678169935263
Energy: 1.7182135707501938
Energy: 1.8782678169950549
Energy: 1.7022642283267808
Energy: 1.9098348572894406
Energy: 1.712094320585874
Energy: 1.9098348572871475
Energy: 1.7060651037376562
Energy: 1.8971283552569647
Energy: 1.6940397446661157
Energy: 1.8971283552516143
Energy: 1.637787433047256
Energy: 1.8342702510774374
Energy: 1.6841384493256444
Energy: 1.83427025107438
Energy: 1.7242142629247446
Energy: 1.8783134276765738
Energy: 1.6397162399837943
Energy: 1.8783134276742808
Energy: 1.531667476465605
Energy: 1.8972167399815858
Energy: 1.6772926189523267
Energy: 1.8972167399808215
Energy: 1.7116736136615998
Energy: 1.7247735328019687
Energy: 1.700992731998739
Energy: 1.7247735328004399
Energy: 1.691460353653466
Energy: 1.877928590445309
Energy: 1.5203996753301043
Energy: 1.8779285904460736
Energy: 1.714168861024649
Energy: 1.836825807320769
Energy: 1.7119983656774869
Energy: 1.8368258073200043
Energy: 1.6904969038763817
Energy: 1.897126785862035
Energy: 1.70810711239986
Energy: 1.8971267858612706
Energy: 1.7194630545277911
Energy: 1.8781769728883668
Energy: 1.728415014349035
Energy: 1.8781769728860738
Energy: 1.719330899691286
Energy: 1.8868036743069851
Energy: 1.7059899489532282
Energy: 1.8868036743054561
Energy: 1.6938582003643674
Energy: 1.897504865794096
Energy: 1.7165161863261509
Energy: 1.8975048657910385
Energy: 1.6939534024655312
Energy: 1.8969880107695598
Energy: 1.7165194350604793
Energy: 1.896988010767267
Energy: 1.7179664427983898
Energy: 1.8782468998884079
Energy: 1.6156720843634025
Energy: 1.8782468998876436
Energy: 1.7216422971520107
Energy: 1.8785606035992213
Energy: 1.7223564629041728
Energy: 1.8785606036022788
Energy: 1.5613063574650015
Energy: 1.896601653456549
Energy: 1.7334352203703598
Energy: 1.896601653456549
Energy: 1.7214849611841125
Energy: 1.7234045657592292
Energy: 1.714337725008281
Energy: 1.7234045657569361
Energy: 1.6874261815905556
Energy: 1.8781612081059147
Energy: 1.5179750107145942
Energy: 1.8781612081059147
Energy: 1.712248495261472
Energy: 1.8510697942538463
Energy: 1.7020937436619654
Energy: 1.8510697942561394
Energy: 1.5313582388707578
Energy: 1.8972987796152745
Energy: 1.6191671519088764
Energy: 1.897298779616039
Energy: 1.6849438510425307
Energy: 1.878974222546762
Energy: 1.637953723152847
Energy: 1.878974222545998
Energy: 1.6397368628846418
Energy: 1.8314954736975868
Energy: 1.7238637198366529
Energy: 1.8314954736968225
Energy: 1.7026517573862354
Energy: 1.8973129530871002
Energy: 1.5318583493695677
Energy: 1.897312953088629
Energy: 1.7010979037282032
Energy: 1.8854618512256007
Energy: 1.711467273832292
Energy: 1.8854618512263648
Energy: 1.5177701755927955
Energy: 1.8780263089849525
Energy: 1.7171903375044153
Energy: 1.8780263089880098
Energy: 1.72058295569933
Energy: 1.8892115582742077
Energy: 1.7102089568515262
Energy: 1.8892115582726792
Energy: 1.741496766220159
Energy: 1.8966825907565752
Energy: 1.6913076368957343
Energy: 1.8966825907565752
Energy: 1.729332990814629
Energy: 1.8853863633145214
Energy: 1.7191340148333256
Energy: 1.8853863633129928
Energy: 1.6869896072211983
Energy: 1.8786578276838628
Energy: 1.7191628953684472
Energy: 1.8786578276838628
Energy: 1.705979253621333
Energy: 1.9095064896208687
Energy: 1.7158837315403925
Energy: 1.9095064896223974

minimum gb energy = 1.5177701755927955 eV
minimum distance =  2.25622508167031 Angstroms
sigma value = 1


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

Energy: 1.9239745249599425
Energy: 2.0404872924487485
Energy: 1.8162000645447955
Energy: 2.040487292447877
Energy: 1.8236438879614723
Energy: 1.970548324762859
Energy: 1.8284352898816059
Energy: 1.970548324762859
Energy: 1.6202899879790507
Energy: 2.0404156206190165
Energy: 1.8348883677898626
Energy: 2.0404156206190165
Energy: 1.8145825536736806
Energy: 1.9474007383614067
Energy: 1.7501737238996127
Energy: 1.9474007383683787
Energy: 1.8150222548963135
Energy: 2.014201771305249
Energy: 1.8219352579800319
Energy: 2.0142017713087346
Energy: 1.8417788526902015
Energy: 2.014543585894149
Energy: 1.815236271030368
Energy: 2.0145435858950207
Energy: 1.8152184410141168
Energy: 1.9462088078774769
Energy: 1.7384574598521207
Energy: 1.9462088078792197
Energy: 1.6207522603031437
Energy: 2.0404740605052774
Energy: 1.7681044988577646
Energy: 2.0404740605017917
Energy: 1.8162254027759146
Energy: 1.8595501567004817
Energy: 1.828365578563981
Energy: 1.8595501567039678
Energy: 1.857833923340023
Energy: 2.040860495002492
Energy: 1.6153369125666275
Energy: 2.0408604950007487
Energy: 1.8153084915840556
Energy: 2.011852294650573
Energy: 1.8386719978535013
Energy: 2.0118522946531874
Energy: 1.718725556527704
Energy: 2.0276563676565997
Energy: 1.8347320470496233
Energy: 2.027656367654857
Energy: 1.85093528900293
Energy: 2.01357852337539
Energy: 1.7703442942694383
Energy: 2.0135785233780044
Energy: 1.850841375070958
Energy: 2.013529383388928
Energy: 1.7849590570703462
Energy: 2.0135293833880565
Energy: 1.718781484174334
Energy: 2.0275850515734546
Energy: 1.8287937320790137
Energy: 2.027585051571711
Energy: 1.8153828089433703
Energy: 2.011933754383445
Energy: 1.8289403621796154
Energy: 2.011933754386931
Energy: 1.8577869029639114
Energy: 2.0407367154408544
Energy: 1.6728608570638903
Energy: 2.040736715439112
Energy: 1.8160733870547145
Energy: 1.8595172743455386
Energy: 1.8284472473026774
Energy: 1.8595172743446673
Energy: 1.620755706937598
Energy: 2.0406224700190134
Energy: 1.768180692092337
Energy: 2.040622470020756
Energy: 1.8152832621869204
Energy: 1.9463489837946333
Energy: 1.7499071896616087
Energy: 1.9463489837946333
Energy: 1.8415474862817036
Energy: 2.014750699045574
Energy: 1.7736683185528828
Energy: 2.014750699043831
Energy: 1.81503099906407
Energy: 2.0140219483510924
Energy: 1.7875764501543798
Energy: 2.014021948347606
Energy: 1.8145727877642581
Energy: 1.9476551089461671
Energy: 1.7385115702838931
Energy: 1.947655108956625
Energy: 1.6202056265925298
Energy: 2.040485159070522
Energy: 1.82885170079343
Energy: 2.040485159072265
Energy: 1.823721291198113
Energy: 1.970471272649841
Energy: 1.8284684399672626
Energy: 1.9704712726437401
Energy: 1.9239745249390265
Energy: 2.0404872924487485
Energy: 1.772918974494144
Energy: 2.040487292447877
Energy: 1.8236438879640866
Energy: 1.970548324762859
Energy: 1.8284352898816059
Energy: 1.970548324762859
Energy: 1.6202899879799224
Energy: 2.0404156206198882
Energy: 1.835388419938714
Energy: 2.0404156206190165
Energy: 1.8145825536736806
Energy: 1.9474007383631495
Energy: 1.7501737238987414
Energy: 1.94740073836925

minimum gb energy = 1.6153369125666275 eV
minimum distance =  2.24277857004469 Angstroms
sigma value = 25


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

Energy: 2.055259906828753
Energy: 2.1740828356497883
Energy: 1.9778443469647526
Energy: 2.1740828356508013
Energy: 1.8675174966569965
Energy: 2.0999582438824356
Energy: 1.964010375766648
Energy: 2.0999582438824356
Energy: 1.7370285312307623
Energy: 2.215955086194753
Energy: 1.964152308028556
Energy: 2.215955086195766
Energy: 1.9506435907370419
Energy: 2.129635171348883
Energy: 1.86935023291731
Energy: 2.129635171348883
Energy: 1.8682996671413343
Energy: 2.174023758019438
Energy: 1.85946330726993
Energy: 2.174023758021464
Energy: 2.005034412234647
Energy: 2.215515237038861
Energy: 1.9678790928292003
Energy: 2.215515237038861
Energy: 1.9679753160218612
Energy: 1.9758938903411112
Energy: 1.9108942163258138
Energy: 1.9758938903390848
Energy: 1.991840850186925
Energy: 2.174070834214683
Energy: 1.7647630700734631
Energy: 2.174070834215696
Energy: 1.9085745961759903
Energy: 2.095261322433935
Energy: 1.967915947584955
Energy: 2.0952613224319085
Energy: 1.963543227167247
Energy: 2.2160277743398895
Energy: 1.8518599964824256
Energy: 2.21602777433685
Energy: 1.8480241646207332
Energy: 2.1737221993524014
Energy: 1.9634282812073847
Energy: 2.1737221993524014
Energy: 1.8697655038662635
Energy: 2.1741344509884177
Energy: 1.9632326292315831
Energy: 2.1741344509884177
Energy: 1.9642786264692114
Energy: 2.125630748288791
Energy: 1.8531242599760502
Energy: 2.125630748289804
Energy: 1.910570300675869
Energy: 1.969186608378288
Energy: 1.9674532686545276
Energy: 1.969186608378288
Energy: 1.7998896205312125
Energy: 2.1746228413000073
Energy: 1.7615856608791491
Energy: 2.1746228412979813
Energy: 1.9642569723958867
Energy: 1.9757022105261082
Energy: 1.8681585641677514
Energy: 1.9757022105261082
Energy: 1.736707721994128
Energy: 2.216119593652864
Energy: 1.7364987117477082
Energy: 2.216119593652864
Energy: 1.8694964760031145
Energy: 2.174756450651763
Energy: 1.9501628611171005
Energy: 2.174756450652776
Energy: 1.8597519035589332
Energy: 2.1277264512834835
Energy: 1.8682966170653454
Energy: 2.1277264512865224
Energy: 1.8666007576642862
Energy: 2.2153699543745184
Energy: 1.9676736830815804
Energy: 2.2153699543755314
Energy: 1.9814267830544692
Energy: 2.1023871707768413
Energy: 1.9670645890923462
Energy: 2.102387170777854
Energy: 1.9975454514984716
Energy: 2.1739411672601814
Energy: 1.970903061434633
Energy: 2.1739411672591684
Energy: 1.9677711363917196
Energy: 2.103688917284308
Energy: 1.9639318792665712
Energy: 2.1036889172873474
Energy: 1.737681207202433
Energy: 2.215946601506851
Energy: 1.9635798053855276
Energy: 2.215946601503812
Energy: 1.9636662061815393
Energy: 2.127156167839222
Energy: 1.8698786396477316
Energy: 2.127156167842261

minimum gb energy = 1.7364987117477082 eV
minimum distance =  2.2446836373712 Angstroms
sigma value = 9


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

Energy: 2.2118793862119333
Energy: 2.1135154512642536
Energy: 2.145705290969966
Energy: 2.1135154512654624
Energy: 2.0429199509106044
Energy: 2.2654294529029495
Energy: 2.0826882093185715
Energy: 2.265429452904158
Energy: 1.865005916976217
Energy: 2.19703314618036
Energy: 2.080987123022681
Energy: 2.19703314618036
Energy: 2.131135166391869
Energy: 2.354073546752425
Energy: 1.914534003000891
Energy: 2.3540735467512173
Energy: 2.163333703882404
Energy: 2.282511446169312
Energy: 2.1118016701886857
Energy: 2.282511446169312
Energy: 1.9534868258706917
Energy: 2.1514873431279593
Energy: 1.901373159884234
Energy: 2.1514873431291677
Energy: 2.1365071159967988
Energy: 1.9149611335318795
Energy: 1.9181650257592757
Energy: 1.914961133533088
Energy: 1.9341078766491506
Energy: 2.1483737018435995
Energy: 1.996050850702496
Energy: 2.148373701842391
Energy: 2.136539228114128
Energy: 2.282611529661282
Energy: 2.016348590628502
Energy: 2.2826115296576566
Energy: 2.1306960123658554
Energy: 2.2927508970956723
Energy: 1.9147377055431907
Energy: 2.2927508970932555
Energy: 1.9474476171600172
Energy: 2.2882247267847458
Energy: 2.1056191882083355
Energy: 2.2882247267871625
Energy: 2.1312320778323706
Energy: 2.1325774419301733
Energy: 1.9147994925041363
Energy: 2.1325774419289645
Energy: 1.96123037005041
Energy: 2.1968127551695624
Energy: 1.9344789610953983
Energy: 2.196812755167145
Energy: 1.988768605459597
Energy: 2.3892028151056577
Energy: 2.1122270150534788
Energy: 2.3892028151044498
Energy: 1.9611105029089988
Energy: 2.196941445188734
Energy: 1.9999548464246915
Energy: 2.196941445188734
Energy: 2.1316868952234036
Energy: 2.1946820478416393
Energy: 1.9144288039745205
Energy: 2.1946820478416393
Energy: 2.0938132758564647
Energy: 2.3242102699667835
Energy: 2.0808709026960894
Energy: 2.3242102699667835
Energy: 2.112544860270566
Energy: 2.1127556037692754
Energy: 1.914906712305501
Energy: 2.11275560382605
Energy: 2.11453564653721
Energy: 2.235089096936331
Energy: 2.082179595661229
Energy: 2.235089096936331
Energy: 2.022751826000039
Energy: 2.1487674615018264
Energy: 1.9963797978243256
Energy: 2.1487674615006176
Energy: 2.135812809162269
Energy: 2.112227707888125
Energy: 1.9185557840590044
Energy: 2.112227707890542

minimum gb energy = 1.865005916976217 eV
minimum distance =  2.22577357502729 Angstroms
sigma value = 25


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

Energy: 2.0408918612466107
Energy: 2.5112568644774615
Energy: 2.175764722690327
Energy: 2.5112568644774615
Energy: 2.0201686233255844
Energy: 2.311733507183357
Energy: 2.0014136281271933
Energy: 2.311733507183357
Energy: 2.0036044230928045
Energy: 2.0379787719551574
Energy: 2.0013721009104666
Energy: 2.0379787719551574
Energy: 2.0364162597906827
Energy: 2.025062374083858
Energy: 2.191825750579139
Energy: 2.0250623740883413
Energy: 2.192768464517373
Energy: 2.019339510158303
Energy: 2.1033489358154847
Energy: 2.019339510156809
Energy: 2.0030927750337
Energy: 2.546649217072745
Energy: 2.0032510522333244
Energy: 2.54664921707424
Energy: 2.0665045238963873
Energy: 2.025206570241221
Energy: 2.00150138770583
Energy: 2.025206570242716
Energy: 2.1911508328386526
Energy: 2.5129935727559825
Energy: 2.035705771828413
Energy: 2.5129935727559825
Energy: 2.001394537307885
Energy: 2.3105044205221374
Energy: 2.018968997336359
Energy: 2.3105044205236323
Energy: 2.256407099552479
Energy: 2.058858494702133
Energy: 2.002388846318991
Energy: 2.058858494702133
Energy: 2.105934163003977
Energy: 2.515079636434138
Energy: 2.3730236818376316
Energy: 2.5150796364371275
Energy: 2.0016641061615075
Energy: 2.0591073810577107
Energy: 2.2567328006143845
Energy: 2.059107381059205
Energy: 2.206335629608805
Energy: 2.037052857731703
Energy: 2.0025192630721342
Energy: 2.0370528577331974
Energy: 2.0012450665012698
Energy: 2.0244147502079346
Energy: 2.0365968599440496
Energy: 2.024414750210924
Energy: 2.0633034410132063
Energy: 2.514554554224311
Energy: 2.193761862159141
Energy: 2.514554554224311
Energy: 2.0193898775922268
Energy: 2.1189790338724808
Energy: 2.003085753788885
Energy: 2.118979033866503
Energy: 2.001850924536757
Energy: 2.1587673130095935
Energy: 2.2567622165593453
Energy: 2.1587673130110874

minimum gb energy = 2.0012450665012698 eV
minimum distance =  2.30890009901519 Angstroms
sigma value = 17


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

Energy: 2.327496187436951
Energy: 2.3229040916955572
Energy: 2.5016674563813783
Energy: 2.3229040916921715
Energy: 2.2526039829314746
Energy: 2.1780723213117437
Energy: 2.0586637406942767
Energy: 2.1780723213142834
Energy: 2.239423880288945
Energy: 2.192042010965183
Energy: 2.058321320780658
Energy: 2.1920420109668766
Energy: 2.0628499245649192
Energy: 2.076646735595594
Energy: 2.182840722971022
Energy: 2.0766467355964404
Energy: 2.2876784093948466
Energy: 2.189461927147673
Energy: 2.1138516651908503
Energy: 2.189461927148519
Energy: 2.0786981330498593
Energy: 2.1189913445864965
Energy: 2.224767814489808
Energy: 2.1189913445890354
Energy: 2.059838788464457
Energy: 2.17584802624349
Energy: 2.0585310716326517
Energy: 2.175848026242643
Energy: 2.2269433758817887
Energy: 2.076150060627387
Energy: 2.0711567158295128
Energy: 2.0761500606240015
Energy: 2.0719962635920686
Energy: 2.256426369930849
Energy: 2.292333642840132
Energy: 2.2564263699291556
Energy: 2.4053452670112736
Energy: 2.141963493731056
Energy: 2.0587965056142017
Energy: 2.1419634937302097
Energy: 2.0677265003032637
Energy: 2.075263988348959
Energy: 2.245383405685049
Energy: 2.075263988348959
Energy: 2.0716702357972685
Energy: 2.175873855704197
Energy: 2.0712998522392576
Energy: 2.17587385570589
Energy: 2.2443123437140007
Energy: 2.0762708729346473
Energy: 2.070237930130799
Energy: 2.0762708729321075
Energy: 2.0586965198637857
Energy: 2.2699951707821007
Energy: 2.252714041482459
Energy: 2.2699951707787154
Energy: 2.205022275393575
Energy: 2.1756503235671585
Energy: 2.072357751555951
Energy: 2.1756503235671585
Energy: 2.236859771267368
Energy: 2.0771756236459784
Energy: 2.227306768633615
Energy: 2.0771756236485177
Energy: 2.0588888623626143
Energy: 2.2321527931547696
Energy: 2.409216743603475
Energy: 2.2321527931547696
Energy: 2.271619100766605
Energy: 2.065982804027262
Energy: 2.078752858202066
Energy: 2.065982804025569
Energy: 2.0583601133738147
Energy: 2.1782158495666066
Energy: 2.201646375154747
Energy: 2.178215849569146
Energy: 2.0582435904517915
Energy: 2.0769478665969494
Energy: 2.0636406615592717
Energy: 2.076947866595256
Energy: 2.143923355948569
Energy: 2.063414216994582
Energy: 2.239214544607222
Energy: 2.0634142169971215
Energy: 2.0590176894733485
Energy: 2.2918698635897856
Energy: 2.4092424640862795
Energy: 2.2918698635897856
Energy: 2.311260687420304
Energy: 2.0762987252956204
Energy: 2.0604570733391716
Energy: 2.0762987252947736
Energy: 2.0705234855329353
Energy: 2.175733225038201
Energy: 2.2411331079580923
Energy: 2.175733225039047
Energy: 2.070042261764273
Energy: 2.1924079736099604
Energy: 2.239758631846138
Energy: 2.1924079736125
Energy: 2.271332044057189
Energy: 2.0780920515922934
Energy: 2.0623995914448714
Energy: 2.0780920515922934
Energy: 2.099509950877915
Energy: 2.2918604057538037
Energy: 2.4542922907628086
Energy: 2.2918604057538037
Energy: 2.224798576256994
Energy: 2.121856089102436
Energy: 2.2411700386704783
Energy: 2.1218560891015894
Energy: 2.3788006192599034
Energy: 2.2795497798269704
Energy: 2.060242261516737
Energy: 2.2795497798278173
Energy: 2.0712622050935012
Energy: 2.253739449345018
Energy: 2.2721706264128447
Energy: 2.253739449344172

minimum gb energy = 2.0582435904517915 eV
minimum distance =  2.30278252062066 Angstroms
sigma value = 53


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

Energy: 2.021833368953627
Energy: 2.0189987743237214
Energy: 2.651116271129887
Energy: 2.0189987743217723
Energy: 2.316171597554856
Energy: 2.1622572370800746
Energy: 2.1392676887954862
Energy: 2.1622572370819793
Energy: 2.0236914106185218
Energy: 2.018575248637625
Energy: 2.1395817404756747
Energy: 2.018575248637625
Energy: 2.0236274567808095
Energy: 2.0184066105072054
Energy: 2.139441297618316
Energy: 2.0184066105091545
Energy: 2.3161128211063566
Energy: 2.162233852075864
Energy: 2.282794875949112
Energy: 2.1622338520739155
Energy: 2.021833368953627
Energy: 2.0189987743256697
Energy: 2.3647760393168302
Energy: 2.0189987743217723
Energy: 2.3161715975568047
Energy: 2.1622572370819793
Energy: 2.258316819661552
Energy: 2.1622572370819793
Energy: 2.0236914106185218
Energy: 2.018575248635676
Energy: 2.322736003131087
Energy: 2.018575248635676
Energy: 2.023627456778861
Energy: 2.0184066105072054
Energy: 2.2572809598894987
Energy: 2.0184066105091545
Energy: 2.3161128211063566
Energy: 2.162233852075864
Energy: 2.2827948759432664
Energy: 2.1622338520739155
Energy: 2.0218333689516785
Energy: 2.0189987743237214
Energy: 2.5331954665471446
Energy: 2.0189987743198237
Energy: 2.3161715975587533
Energy: 2.1622572370800746
Energy: 2.258316819774534
Energy: 2.1622572370819793
Energy: 2.0236914106185218
Energy: 2.018575248637625
Energy: 2.3227485603315405
Energy: 2.018575248635676

minimum gb energy = 2.0184066105072054 eV
minimum distance =  2.29241614070396 Angstroms
sigma value = 9


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

Energy: 2.1780214492009677
Energy: 2.3643434605706815
Energy: 2.6714743623169777
Energy: 2.3643434605706815
Energy: 2.354244112807735
Energy: 2.2251257641260467
Energy: 2.1192282363129786
Energy: 2.2251257641246047
Energy: 2.115442865410223
Energy: 2.157973534289145
Energy: 2.1345313383878874
Energy: 2.1579735342877027
Energy: 2.2832648339690684
Energy: 2.4309354238280223
Energy: 2.119315084647121
Energy: 2.430935423828743
Energy: 2.369608097290466
Energy: 2.2602494491301175
Energy: 2.1415934070683895
Energy: 2.2602494491293967
Energy: 2.1602354543413687
Energy: 2.157770739373496
Energy: 2.2748264692537234
Energy: 2.157770739374938
Energy: 2.609614233166235
Energy: 2.254808776233101
Energy: 2.1317253928705937
Energy: 2.254808776228052
Energy: 2.1251491689766207
Energy: 2.394652376200634
Energy: 2.3071885722700167
Energy: 2.3946523761977487
Energy: 2.1191967095767033
Energy: 2.4470474907829534
Energy: 2.163987590979092
Energy: 2.4470474907807893
Energy: 2.117108671905253
Energy: 2.2368446860299476
Energy: 2.1298060384039155
Energy: 2.2368446860299476
Energy: 2.1278482465122557
Energy: 2.300510434298685
Energy: 2.5559336329625406
Energy: 2.300510434300128
Energy: 2.328819359480609
Energy: 2.4184846592650064
Energy: 2.1231197485089726
Energy: 2.4184846592650064
Energy: 2.1197874185708336
Energy: 2.2529228455574777
Energy: 2.448882316866841
Energy: 2.252922845554593
Energy: 2.2902440246485267
Energy: 2.3001763842573655
Energy: 2.1826114285472906
Energy: 2.3001763842566443
Energy: 2.129128864187237
Energy: 2.3173976220801644
Energy: 2.3048913783045637
Energy: 2.3173976220801644
Energy: 2.123410498830863
Energy: 2.4464284309503346
Energy: 2.2824894036947265
Energy: 2.4464284309488917
Energy: 2.2359908507722652
Energy: 2.3176477352039324
Energy: 2.1284774901875254
Energy: 2.3176477352003255
Energy: 2.1320550852943723
Energy: 2.2558535895471508
Energy: 2.367647331707219
Energy: 2.255853589548593
Energy: 2.38139251180082
Energy: 2.2523102658299314
Energy: 2.161784904571897
Energy: 2.2523102658328167
Energy: 2.1240553518968053
Energy: 2.2525836207591383
Energy: 2.2562289065421077
Energy: 2.2525836207555323
Energy: 2.2805003154544283
Energy: 2.4246350129106746
Energy: 2.2861574449760504
Energy: 2.424635012908511
Energy: 2.2558545747923837
Energy: 2.3345876563322796
Energy: 2.1168599799112435
Energy: 2.3345876563322796
Energy: 2.1632883237860265
Energy: 2.338775575984613
Energy: 2.1192417632991067
Energy: 2.3387755759824493
Energy: 2.617926425569399
Energy: 2.296851784155645
Energy: 2.1244911405009392
Energy: 2.2968517841592515
Energy: 2.132853197238167
Energy: 2.366891138780578
Energy: 2.488075781313553
Energy: 2.366891138780578
Energy: 2.196102971068872
Energy: 2.1577576970834977
Energy: 2.1167708950205153
Energy: 2.1577576970842194
Energy: 2.295050745406188
Energy: 2.4093081841521133
Energy: 2.282395776240268
Energy: 2.4093081841464086
Energy: 2.1338625056658245
Energy: 2.4309320635341005
Energy: 2.2832523788488475
Energy: 2.4309320635369858
Energy: 2.2144386319982186
Energy: 2.157508629968736
Energy: 2.115416150999767
Energy: 2.1575086299701782
Energy: 2.119141555400645
Energy: 2.434041360317159
Energy: 2.4892294303177183
Energy: 2.4340413603200437
Energy: 2.558035234671149
Energy: 2.2974571880809473
Energy: 2.123756603286533
Energy: 2.2974571880787833
Energy: 2.1189329480448924
Energy: 2.247475437315821
Energy: 2.116503871563968
Energy: 2.2474754373151
Energy: 2.134619151436694
Energy: 2.3331977800679886
Energy: 2.115828590890021
Energy: 2.3331977800701527
Energy: 2.2799766695452592
Energy: 2.428528763411706
Energy: 2.28301704991147
Energy: 2.42852876341387
Energy: 2.134470040453403
Energy: 2.3789256722346326
Energy: 2.609328848004761
Energy: 2.3789256722331897

minimum gb energy = 2.115416150999767 eV
minimum distance =  2.28341825864088 Angstroms
sigma value = 73


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

Energy: 2.3344868769145872
Energy: 2.237653698040372
Energy: 2.733745289183907
Energy: 2.2376536980380837
Energy: 2.255080701792174
Energy: 2.3129600205674383
Energy: 2.1222441742640394
Energy: 2.312960020569727
Energy: 2.1293664606918385
Energy: 2.521200325775562
Energy: 2.140612376780677
Energy: 2.521200325776706
Energy: 2.11053374945698
Energy: 2.4127544736887416
Energy: 2.163953549883259
Energy: 2.4127544736875968
Energy: 2.201644946233788
Energy: 2.3121294177241434
Energy: 2.1419994458420337
Energy: 2.312129417725288
Energy: 2.1555721193415662
Energy: 2.1244268885762625
Energy: 2.3969624954415556
Energy: 2.124426888577407
Energy: 2.6101141755293233
Energy: 2.3840992479692282
Energy: 2.124159748388886
Energy: 2.3840992479692282
Energy: 2.130868674420073
Energy: 2.1750264095497776
Energy: 2.5381329727912934
Energy: 2.1750264095497776
Energy: 2.5104943649168447
Energy: 2.125478455404243
Energy: 2.125888501671251
Energy: 2.125478455406532
Energy: 2.12695924120492
Energy: 2.2813657396597726
Energy: 2.12609136009702
Energy: 2.281365739660917
Energy: 2.1335134429473688
Energy: 2.126540200508899
Energy: 2.414562126160559
Energy: 2.1265402005077547
Energy: 2.3738306083067213
Energy: 2.409354335621353
Energy: 2.110053285386914
Energy: 2.409354335620209
Energy: 2.1574328052232334
Energy: 2.2800375364729284
Energy: 2.5621433542891308
Energy: 2.2800375364729284
Energy: 2.481125631879426
Energy: 2.3863979798006754
Energy: 2.155696691887608
Energy: 2.3863979798006754
Energy: 2.106285025094834
Energy: 2.41752280700771
Energy: 2.4478619230262413
Energy: 2.4175228070065655
Energy: 2.4142090654385684
Energy: 2.174614575397099
Energy: 2.131480739854954
Energy: 2.174614575397099
Energy: 2.2368650362557463
Energy: 2.2371315063277177
Energy: 2.1293481617634025
Energy: 2.2371315063265738
Energy: 2.2359214646901107
Energy: 2.43696716894896
Energy: 2.1276983661050175
Energy: 2.4369671689466714
Energy: 2.329667863952558
Energy: 2.1761574243233697
Energy: 2.1294181358848903
Energy: 2.1761574243233697
Energy: 2.1224027562851067
Energy: 2.2916396986584227
Energy: 2.6150780874738033
Energy: 2.2916396986584227
Energy: 2.438460087259347
Energy: 2.5202742213621665
Energy: 2.156067455571965
Energy: 2.5202742213633105
Energy: 2.1639014444141633
Energy: 2.3249773062977646
Energy: 2.257915188086972
Energy: 2.32497730629662

minimum gb energy = 2.106285025094834 eV
minimum distance =  2.25657913384123 Angstroms
sigma value = 7


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

Energy: 2.2209140292230165
Energy: 2.2160076299615175
Energy: 2.5323919430818695
Energy: 2.216007629946143
Energy: 2.572550926372559
Energy: 2.281219998592038
Energy: 2.166811913753348
Energy: 2.2812199985912285
Energy: 2.148690297685436
Energy: 2.2134785131522183
Energy: 2.16419400877574
Energy: 2.2134785131546457
Energy: 2.1503626941937912
Energy: 2.3051512233926226
Energy: 2.16691877964404
Energy: 2.3051512233926226
Energy: 2.1492940595918086
Energy: 2.293540582987741
Energy: 2.162118168370705
Energy: 2.2935405829966418
Energy: 2.147655508332461
Energy: 2.1676086071778538
Energy: 2.4514933000356174
Energy: 2.1676086071689524
Energy: 2.3760071164789527
Energy: 2.3862271154346146
Energy: 2.1621163607742826
Energy: 2.386227115437851
Energy: 2.147155371070157
Energy: 2.2095936434735375
Energy: 2.487617313452051
Energy: 2.2095936434743466
Energy: 2.4161522784930325
Energy: 2.2806561616057714
Energy: 2.1682265734365083
Energy: 2.280656161598489
Energy: 2.1476178002154755
Energy: 2.311332660155038
Energy: 2.3391725003416264
Energy: 2.3113326601485644
Energy: 2.15806327378139
Energy: 2.4606523920723187
Energy: 2.1565773585797614
Energy: 2.460652392075555
Energy: 2.1762326885843404
Energy: 2.2943358336096424
Energy: 2.1525406073616313
Energy: 2.2943358336088333
Energy: 2.1660132658068316
Energy: 2.176647645034733
Energy: 2.156902704199645
Energy: 2.1766476450452523
Energy: 2.166510405934646
Energy: 2.2018361981918657
Energy: 2.151864180173697
Energy: 2.2018361981894383
Energy: 2.145597726298756
Energy: 2.432442863626489
Energy: 2.3677660995704226
Energy: 2.432442863624061
Energy: 2.6846292781803256
Energy: 2.201466394046443
Energy: 2.168039200457995
Energy: 2.2014663940488703
Energy: 2.14543560591773
Energy: 2.291957969933461
Energy: 2.21448751286581
Energy: 2.2919579699326516
Energy: 2.158224084825937
Energy: 2.217979555441331
Energy: 2.152158346087176
Energy: 2.217979555441331
Energy: 2.146183073409774
Energy: 2.4619625179953264
Energy: 2.1570536812938292
Energy: 2.461962517988044
Energy: 2.1476566295119506
Energy: 2.292415193252658
Energy: 2.152629902000936
Energy: 2.292415193248612
Energy: 2.157430394920693
Energy: 2.459091144579845
Energy: 2.168257783416448
Energy: 2.4590911445757992
Energy: 2.147492759473934
Energy: 2.2105309613882977
Energy: 2.34455807862707
Energy: 2.2105309613980078
Energy: 2.509928854590562
Energy: 2.280602814745441
Energy: 2.160818964360355
Energy: 2.2806028147397766
Energy: 2.2179513296561923
Energy: 2.2073064027927645
Energy: 2.45193147475686
Energy: 2.2073064027887557
Energy: 2.183228192125878
Energy: 2.2924886028162152
Energy: 2.1619355596261296
Energy: 2.292488602813787
Energy: 2.1506058287355407
Energy: 2.454301526371565
Energy: 2.14797576041325
Energy: 2.4543015263780013
Energy: 2.148941532292464
Energy: 2.3143375711374965
Energy: 2.32649968189188
Energy: 2.3143375711374965
Energy: 2.1502101437893253
Energy: 2.2908765942483926
Energy: 2.166773873329764
Energy: 2.29087659425082
Energy: 2.147822443174175
Energy: 2.2158199731738653
Energy: 2.28429938588837
Energy: 2.2158199731738653
Energy: 2.234354267162589
Energy: 2.1935971415966353
Energy: 2.167133351917706
Energy: 2.1935971416047266
Energy: 2.1479349530884773
Energy: 2.2160000211917192
Energy: 2.5025474340050855
Energy: 2.2160000211892923

minimum gb energy = 2.14543560591773 eV
minimum distance =  2.24500139926082 Angstroms
sigma value = 29


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

Energy: 2.1376833322853477
Energy: 2.101725296245167
Energy: 2.1417524484482406
Energy: 2.101725296245449
Energy: 2.082957747661555
Energy: 2.1321703220614645
Energy: 2.1326540759483303
Energy: 2.132170322062279
Energy: 2.0747003491539666
Energy: 2.2656477851636865
Energy: 2.0815371883042055
Energy: 2.26564778516259
Energy: 2.1341090584258957
Energy: 2.387613634960568
Energy: 2.1331822792774346
Energy: 2.3876136349600046
Energy: 2.1381609008182356
Energy: 2.218641891596319
Energy: 2.0804974144679216
Energy: 2.2186418915952224
Energy: 2.082456763562434
Energy: 2.2711258755706654
Energy: 2.082454998609706
Energy: 2.271125875570383
Energy: 2.0745076787288976
Energy: 2.218624946285624
Energy: 2.138181426016207
Energy: 2.218624946285624
Energy: 2.1330464250022336
Energy: 2.387770545875613
Energy: 2.1340319484741177
Energy: 2.3877705458808425
Energy: 2.0817609648062625
Energy: 2.2654422536479792
Energy: 2.0839346355467443
Energy: 2.2654422536468832

minimum gb energy = 2.0745076787288976 eV
minimum distance =  2.27736137218844 Angstroms
sigma value = 5


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

Energy: 2.004353097769499
Energy: 2.0411328989514086
Energy: 2.337648855935142
Energy: 2.0411328989491153
Energy: 2.3243120728571087
Energy: 2.125785194913599
Energy: 1.9351175364173825
Energy: 2.12578519491207
Energy: 1.9338780493478112
Energy: 2.0190948438144147
Energy: 2.345111249897049
Energy: 2.0190948438144147
Energy: 1.9263746975979266
Energy: 2.108016045449993
Energy: 1.9628711674476855
Energy: 2.108016045449229
Energy: 1.9635620524669448
Energy: 2.119827422165363
Energy: 2.326595266018307
Energy: 2.119827422164599
Energy: 2.0123392856677906
Energy: 2.0454399630436537
Energy: 1.9350735923285185
Energy: 2.0454399630444176
Energy: 1.9345901033885002
Energy: 2.120073259089352
Energy: 1.9356227925063798
Energy: 2.120073259091645
Energy: 1.9350462768762025
Energy: 2.0479940775225773
Energy: 1.9358431999407206
Energy: 2.0479940775233416
Energy: 1.9642979120656587
Energy: 2.1203293082079178
Energy: 1.9218584711035553
Energy: 2.1203293082109753
Energy: 1.9629964079811286
Energy: 2.121949510869851
Energy: 1.9228562716286326
Energy: 2.121949510867558
Energy: 1.9543410688290859
Energy: 2.10917953919838
Energy: 1.9343698619679162
Energy: 2.1091795391999084
Energy: 1.9343058661842498
Energy: 2.1455173578925226
Energy: 2.049869800725058
Energy: 2.1455173578948155
Energy: 2.012678954801486
Energy: 2.0426438007898367
Energy: 2.0261780614204947
Energy: 2.0426438007890724
Energy: 1.9630287813723801
Energy: 2.0412151026697005
Energy: 2.0065390110111463
Energy: 2.041215102673522
Energy: 2.1186631093602757
Energy: 2.1082763832479516
Energy: 1.9339986452913498
Energy: 2.108276383244964
Energy: 1.9628276658875994
Energy: 2.018843571672348
Energy: 1.9682190893558176
Energy: 2.018843571672348
Energy: 2.327321709105273
Energy: 1.9992902786739004
Energy: 1.9356718462028173
Energy: 1.9992902786731364
Energy: 1.9631653635756319
Energy: 2.0423579022693192
Energy: 2.085071077057751
Energy: 2.042357902272377
Energy: 1.950315608622486
Energy: 2.123290360795282
Energy: 1.9342672776881107
Energy: 2.1232903607983395
Energy: 1.934423115362313
Energy: 2.140782848664674
Energy: 2.0012989746425163
Energy: 2.140782848673846
Energy: 1.9242648206439597
Energy: 2.105122326591988
Energy: 1.9630362024553356
Energy: 2.105122326592752
Energy: 1.9645129527687266
Energy: 2.119531752600851
Energy: 1.9646963412378435
Energy: 2.119531752600851
Energy: 1.9362957303652573
Energy: 2.045006409098061
Energy: 1.924129806915775
Energy: 2.045006409101118
Energy: 2.0691256349532288
Energy: 2.042891341933354
Energy: 1.9346333711844432
Energy: 2.042891341934883
Energy: 2.0562469402192365
Energy: 2.0201246366381826
Energy: 1.9377641796079417
Energy: 2.0201246366397116
Energy: 2.0145409325717316
Energy: 2.0415641838945513
Energy: 1.9637636783462376
Energy: 2.0415641838953156
Energy: 1.9489330322835297
Energy: 2.090990408351009
Energy: 1.992083750051952
Energy: 2.090990408351774
Energy: 2.0150952954296404
Energy: 2.111149869688703
Energy: 1.9626410553559244
Energy: 2.111149869692525
Energy: 1.9345599033683378
Energy: 1.9745500280725954
Energy: 2.339986206096604
Energy: 1.9745500280756527
Energy: 2.2410647010595626
Energy: 2.041910312403151
Energy: 1.9630895007385025
Energy: 2.041910312403151
Energy: 1.9491321452876802
Energy: 1.9876001189363321
Energy: 2.2411280990708944
Energy: 1.9876001189370964
Energy: 2.3240675152753894
Energy: 2.041983333767549
Energy: 1.9342466074490248
Energy: 2.0419833337683126
Energy: 1.9629498834875643
Energy: 2.109555384864574
Energy: 1.9259801683284776
Energy: 2.109555384866103

minimum gb energy = 1.9218584711035553 eV
minimum distance =  2.26273377488782 Angstroms
sigma value = 1


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

Energy: 2.2981549054830124
Energy: 1.9446287164694285
Energy: 2.150295224261522
Energy: 1.9446287164694285
Energy: 1.9785073943005653
Energy: 2.048968502806473
Energy: 1.8585404730044721
Energy: 2.048968502806473
Energy: 1.8491799546060437
Energy: 1.949090145927287
Energy: 2.2758575911670444
Energy: 1.9490901459241161
Energy: 1.8657277219447632
Energy: 2.0484315749449045
Energy: 1.8975212873778513
Energy: 2.0484315749501887
Energy: 1.8130674818448966
Energy: 2.115679135127463
Energy: 2.4037135639008707
Energy: 2.115679135127463
Energy: 1.814073199662496
Energy: 1.9594289971139247
Energy: 1.8974992331954335
Energy: 1.9594289971192087
Energy: 1.8511265931487864
Energy: 2.1159945641347275
Energy: 2.1423615586858493
Energy: 2.1159945641357845
Energy: 1.8515619087836517
Energy: 1.960232683546439
Energy: 1.8821313488168259
Energy: 1.960232683546439
Energy: 1.9498233108582723
Energy: 1.9549177839327287
Energy: 1.8827320532389822
Energy: 1.9549177839327287
Energy: 1.949354575172367
Energy: 1.9346842002769986
Energy: 1.9043804891760403
Energy: 1.9346842002728195
Energy: 1.8519742971750635
Energy: 1.9598345415884753
Energy: 1.8823665998197878
Energy: 1.9598345415927023
Energy: 1.851861826725375
Energy: 2.1157233432487934
Energy: 2.1606993722558965
Energy: 2.1157233432487934
Energy: 1.8144294629285658
Energy: 1.9579019085743194
Energy: 1.8971257913472663
Energy: 1.9579019085743194
Energy: 1.8125928987034914
Energy: 1.9435273303370815
Energy: 1.9512667783538693
Energy: 1.9435273303370815
Energy: 1.9197816918390778
Energy: 2.0408295583561267
Energy: 1.897479992477068
Energy: 2.04082955835824
Energy: 1.8492083070387106
Energy: 1.9500484502946436
Energy: 1.8792210337406128
Energy: 1.9500484502914732
Energy: 2.1795105388631733
Energy: 1.966720620786078
Energy: 1.854890490442887
Energy: 1.9667206207871348
Energy: 2.2981549054777286
Energy: 1.9446287164704852
Energy: 2.1502951482470007
Energy: 1.9446287164715423
Energy: 1.9785073942942244
Energy: 2.0489685028096436
Energy: 1.8585404730044721
Energy: 2.0489685028085867
Energy: 1.8491799546060437
Energy: 1.9490901459283434
Energy: 2.2758575911691583
Energy: 1.9490901459283434
Energy: 1.8657277219489905
Energy: 2.0484315749449045
Energy: 1.8975212873810219
Energy: 2.048431574949132
Energy: 1.8130674818533512
Energy: 2.11567913512852
Energy: 2.403713563901928
Energy: 2.11567913512852
Energy: 1.8140731996635528
Energy: 1.9594289971128676
Energy: 1.8974992331986038
Energy: 1.9594289971160381
Energy: 1.8511265931487864
Energy: 2.115994564138955
Energy: 1.9240926479126093
Energy: 2.115994564138955

minimum gb energy = 1.8125928987034914 eV
minimum distance =  2.26647073587544 Angstroms
sigma value = 17


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

Energy: 1.9010948664903462
Energy: 1.896410431354295
Energy: 2.4228556331114874
Energy: 1.8964104313569081
Energy: 2.1795756233164476
Energy: 1.8672386846888278
Energy: 1.8098237606924061
Energy: 1.867238684689481
Energy: 1.8122590953083288
Energy: 1.8714664387596833
Energy: 2.4056651946818395
Energy: 1.871466438758377
Energy: 1.864899526836366
Energy: 1.8067372146649536
Energy: 1.8092370149795487
Energy: 1.8067372146643004
Energy: 1.7924174352162738
Energy: 2.0059927744454913
Energy: 2.162291455429242
Energy: 2.0059927744435315
Energy: 1.7810722870171745
Energy: 2.219927982937405
Energy: 1.838406035558304
Energy: 2.2199279829367518
Energy: 1.8127885707137303
Energy: 1.9755719410903185
Energy: 1.8801140643403809
Energy: 1.975571941092278
Energy: 1.7903164804466547
Energy: 2.2419665114143648
Energy: 1.7901924068833202
Energy: 2.2419665114156713
Energy: 1.89145966611594
Energy: 1.8538956926757992
Energy: 1.8485293467808501
Energy: 1.8538956926764527
Energy: 1.8965153688459901
Energy: 1.9401945526562923
Energy: 1.8111276192770498
Energy: 1.9401945526523734
Energy: 1.8131106815455855
Energy: 1.9018104200250547
Energy: 1.7901351472498401
Energy: 1.901810420029627
Energy: 1.8133014027640513
Energy: 1.9558016946549766
Energy: 1.7917226325171303
Energy: 1.9558016946543235
Energy: 1.780788522053843
Energy: 2.2204393576315726
Energy: 1.8094802823978249
Energy: 2.2204393576309194
Energy: 1.7923058551710638
Energy: 2.0043855912147928
Energy: 1.9065965616353273
Energy: 2.004385591219365
Energy: 1.7908794252971363
Energy: 2.2054598208954044
Energy: 1.909649653306802
Energy: 2.2054598208947516
Energy: 1.8122767308524315
Energy: 1.8729535268567472
Energy: 2.1579221906669597
Energy: 1.872953526858707
Energy: 1.834776005867298
Energy: 2.2061025430117542
Energy: 1.8090622885912444
Energy: 2.2061025430130607
Energy: 1.8079724827246648
Energy: 1.8969043954493716
Energy: 1.8216872001181694
Energy: 1.8969043954519842
Energy: 2.159983570883493
Energy: 1.961580103479358
Energy: 1.811089053579123
Energy: 1.961580103476092
Energy: 1.8369992945558313
Energy: 1.8729343378886292
Energy: 1.8622261008140468
Energy: 1.8729343378892822
Energy: 2.159685284792691
Energy: 1.8520182956378335
Energy: 1.8088660929554319
Energy: 1.852018295639793
Energy: 1.808603724717523
Energy: 1.9516683558485537
Energy: 1.8131603695598881
Energy: 1.9516683558426748
Energy: 1.8324567133757221
Energy: 1.8322412380323663
Energy: 1.837432092127203
Energy: 1.8322412380428177
Energy: 1.8120989699188808
Energy: 1.9768549471725492
Energy: 2.1796271117510013
Energy: 1.9768549471803878
Energy: 1.8498492757088036
Energy: 1.8977930335414488
Energy: 1.808250154833673
Energy: 1.8977930335440618
Energy: 1.80862220691146
Energy: 2.0075510940829417
Energy: 1.8346184518009965
Energy: 2.0075510940868613
Energy: 2.1356538572822674
Energy: 1.9251648268285422
Energy: 1.8113587520015482
Energy: 1.9251648268259294
Energy: 1.9142985355935234
Energy: 1.8226215687858502
Energy: 1.7907418173395993
Energy: 1.8226215687767053
Energy: 1.927094416321118
Energy: 2.004026849232581
Energy: 1.792047140002196
Energy: 2.004026849230621
Energy: 1.8090214581795783
Energy: 1.9279973324815238
Energy: 1.8571611974464195
Energy: 1.9279973324821769
Energy: 1.7922934554309928
Energy: 2.0042137803889815
Energy: 1.812651379775467
Energy: 2.00421378038245
Energy: 1.7901575410317911
Energy: 2.1986720762786796
Energy: 1.8116859288415368
Energy: 2.198672076283252
Energy: 1.8116611681516184
Energy: 1.9406843486455887
Energy: 2.183049673114004
Energy: 1.9406843486455887
Energy: 1.8585216521040857
Energy: 1.8534518418895582
Energy: 1.8409078228025726
Energy: 1.8534518418941308
Energy: 1.790676425143757
Energy: 1.8988248018761573
Energy: 1.8457916715709985
Energy: 1.898824801871585
Energy: 1.8780436319746565
Energy: 1.9767046824472536
Energy: 1.8118528996267416
Energy: 1.9767046824407213
Energy: 1.8373003857220622
Energy: 2.218750941092523
Energy: 1.7817283914586644
Energy: 2.2187509410977486
Energy: 2.159471118111281
Energy: 2.007270153411913
Energy: 1.8087861788787267
Energy: 2.0072701534125663

minimum gb energy = 1.780788522053843 eV
minimum distance =  2.2630743690091 Angstroms
sigma value = 89


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

Energy: 1.6854541838759733
Energy: 1.6824581657995477
Energy: 1.6562030982964902
Energy: 1.682458165801257
Energy: 1.681828185216345
Energy: 1.7422682932038351
Energy: 1.686787162417378
Energy: 1.7422682932021258
Energy: 1.6927312994227008
Energy: 1.9717625305789759
Energy: 2.5831398777398524
Energy: 1.9717625305772668
Energy: 1.6639470575802937
Energy: 1.7421754830435854
Energy: 1.6845347611663783
Energy: 1.7421754830435854
Energy: 1.6848072028719905
Energy: 1.8396380100952519
Energy: 1.6855251748624518
Energy: 1.8396380100952519
Energy: 1.6820705809585954
Energy: 1.6846754759905294
Energy: 1.6903950357558966
Energy: 1.6846754759905294
Energy: 1.6930571306420756
Energy: 1.9719593915931912
Energy: 1.6863060101599594
Energy: 1.9719593915931912
Energy: 1.648229990936159
Energy: 1.9728970912326451
Energy: 1.686823579666262
Energy: 1.9728970912377337
Energy: 1.6850274386026578
Energy: 1.8397060257324316
Energy: 1.6574733235346124
Energy: 1.8397060257324316
Energy: 1.7514022347428824
Energy: 1.8313636016133223
Energy: 1.6858648064359694
Energy: 1.8313636016184496
Energy: 1.6815543731823799
Energy: 1.7442402363367648
Energy: 1.6859773771920312
Energy: 1.7442402363367648
Energy: 1.6891655584405296
Energy: 1.9707156724091288
Energy: 1.6824378498373624
Energy: 1.9707156724091288
Energy: 1.6854865573970241
Energy: 1.6898898542969494
Energy: 1.6458566244770203
Energy: 1.6898898542986587
Energy: 1.6815957260871641
Energy: 1.8363294630317488
Energy: 1.6817749130069846
Energy: 1.8363294630317488
Energy: 1.6576648283744073
Energy: 1.6898992899624967
Energy: 1.685721030710092
Energy: 1.6898992899607874

minimum gb energy = 1.6458566244770203 eV
minimum distance =  2.28363489606282 Angstroms
sigma value = 13


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

Energy: 1.6150829278717351
Energy: 1.550350622085749
Energy: 2.4141881854181584
Energy: 1.550350622092196
Energy: 1.9451130907788339
Energy: 1.5899689564535033
Energy: 1.520011403580095
Energy: 1.589968956452787
Energy: 1.5523958656710948
Energy: 1.5504848649867111
Energy: 2.3429091666805117
Energy: 1.5504848649809801
Energy: 1.5507755820905662
Energy: 1.589961342833842
Energy: 1.5195967756121493
Energy: 1.5899613428424386
Energy: 1.5527098514920665
Energy: 1.6672110632852777
Energy: 1.5541892893703726
Energy: 1.6672110632967394
Energy: 1.5248904844680644
Energy: 1.591049066075947
Energy: 1.5751925936817754
Energy: 1.5910490660623362
Energy: 1.5529683950049933
Energy: 1.668047002183668
Energy: 1.5839047433543516
Energy: 1.668047002181519
Energy: 1.5053153012872178
Energy: 1.589903161110839
Energy: 1.5752727146110872
Energy: 1.5899031611115555
Energy: 1.5530504350988945
Energy: 1.668314290852735
Energy: 1.9115678272595749
Energy: 1.668314290852735
Energy: 1.9632957557852102
Energy: 1.704033592446326
Energy: 1.5197492656012528
Energy: 1.704033592446326
Energy: 1.552651705678782
Energy: 1.7008323513953578
Energy: 1.528137479543565
Energy: 1.7008323513932087
Energy: 1.586563397944966
Energy: 1.7042047160237728
Energy: 1.520628472215145
Energy: 1.7042047160259217
Energy: 1.625483151017071
Energy: 1.5800067208379365
Energy: 1.5280114205673043
Energy: 1.580006720831489
Energy: 2.272541848052704
Energy: 1.7038635838409946
Energy: 1.5211668103740468
Energy: 1.703863583839562
Energy: 1.5530069312450767
Energy: 1.5500615945515053
Energy: 1.5247234548102713
Energy: 1.5500615945443417
Energy: 1.5446576771728677
Energy: 1.7036296081125264
Energy: 1.5219119722492542
Energy: 1.7036296081168243
Energy: 1.5432385624241085
Energy: 1.5492246187111192
Energy: 1.5227231334229023
Energy: 1.549224618718999
Energy: 1.5444213905466297
Energy: 1.6676577445098495
Energy: 1.5938702056182843
Energy: 1.6676577445190972
Energy: 1.5439103266167984
Energy: 1.5834288380187407
Energy: 1.5933418999536997
Energy: 1.5834288380122934
Energy: 1.5437281804225957
Energy: 1.5834293087747913
Energy: 1.5940234351091624
Energy: 1.5834293087554494
Energy: 1.5444505794506391
Energy: 1.6677138374555156
Energy: 1.593974311156681
Energy: 1.6677138374648282
Energy: 1.5431491463262004
Energy: 1.5491568358472039
Energy: 1.5227369021732666
Energy: 1.5491568358486367
Energy: 1.5443985091916324
Energy: 1.7033551123225499
Energy: 1.5215190027186938
Energy: 1.7033551123347281
Energy: 1.5529925691609017
Energy: 1.5501615111322704
Energy: 1.5268277232139127
Energy: 1.5501615111365685
Energy: 2.2725557046633362
Energy: 1.7036950690415806
Energy: 1.5216971827430235
Energy: 1.7036950690451627
Energy: 1.6259402383162063
Energy: 1.5800029081045863
Energy: 1.5280733287931838
Energy: 1.5800029081045863
Energy: 1.5866736155503423
Energy: 1.7042088508219133
Energy: 1.5206333589549883
Energy: 1.704208850819764
Energy: 1.552930225989245
Energy: 1.7008962290235492
Energy: 1.5283051315265654
Energy: 1.7008962290156693
Energy: 1.9632946185583233
Energy: 1.7037939528486792
Energy: 1.5198383711841834
Energy: 1.7037939528508284
Energy: 1.5529066176603181
Energy: 1.6683058531418204
Energy: 2.2500548515251966
Energy: 1.6683058531575155
Energy: 1.5050966132803907
Energy: 1.5899558784358039
Energy: 1.5752821523895968
Energy: 1.5899558784336547
Energy: 1.5527796349106362
Energy: 1.6677901460632565
Energy: 1.9169536961970022
Energy: 1.6677901460589581
Energy: 1.5243853407376946
Energy: 1.590741895357657
Energy: 1.5753615411364887
Energy: 1.5907418953669696
Energy: 1.5528003630527536
Energy: 1.6674932279457553
Energy: 1.5516352506667532
Energy: 1.6674932279464718
Energy: 1.5504961746466357
Energy: 1.5899351155390082
Energy: 1.519635543120183
Energy: 1.589935115536143

minimum gb energy = 1.5050966132803907 eV
minimum distance =  2.29725390502099 Angstroms
sigma value = 37


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

Energy: 1.4787690206686273
Energy: 1.4752743408329634
Energy: 1.366838826091484
Energy: 1.4752743408341962
Energy: 1.4398253344862775
Energy: 1.4750173776851698
Energy: 1.3871295697489867
Energy: 1.4750173776851698
Energy: 1.4104765911588377
Energy: 1.6547470350921982
Energy: 1.3665781372199608
Energy: 1.6547470350921982
Energy: 1.3841891504624135
Energy: 1.4751967475193555
Energy: 1.387506612858515
Energy: 1.4751967475205883
Energy: 1.3955302536328105
Energy: 1.4743823010200268
Energy: 1.38900005794295
Energy: 1.4743823010200268
Energy: 1.3649617102282114
Energy: 1.4748653540550127
Energy: 1.388169823466108
Energy: 1.4748653540562453
Energy: 1.3854109535872423
Energy: 1.5416964175458923
Energy: 1.4393691281928498
Energy: 1.5416964175471244
Energy: 1.3837252576062988
Energy: 1.4764866436353645
Energy: 1.473854648828561
Energy: 1.4764866436328996
Energy: 1.3904420440434515
Energy: 1.4743266061119402
Energy: 1.4396382176741933
Energy: 1.4743266061107079
Energy: 2.1363412985232966
Energy: 1.6420682450837911
Energy: 1.3883956282914889
Energy: 1.6420682450837911
Energy: 1.410670456286314
Energy: 1.5416495373859624
Energy: 1.384182367954753
Energy: 1.5416495373871948
Energy: 2.1707069196773685
Energy: 1.475837672314347
Energy: 1.387593118671676
Energy: 1.475837672314347
Energy: 1.3831969939068611
Energy: 1.4743297971539102
Energy: 1.3656135593947853
Energy: 1.474329797155143
Energy: 2.017067621214005
Energy: 1.5409663226393782
Energy: 1.3873916024476054
Energy: 1.540966322640611
Energy: 1.4739974559612807
Energy: 1.5421275321250454
Energy: 1.3839476480809665
Energy: 1.542127532126278
Energy: 1.4740820216517045
Energy: 1.4753339264690453
Energy: 1.3937432049789622
Energy: 1.4753339264702778
Energy: 1.3833006716420748
Energy: 1.6406502946219987
Energy: 1.3647131449475223
Energy: 1.6406502946219987
Energy: 1.3875391207717995
Energy: 1.5428698800176264
Energy: 1.3875830857478029
Energy: 1.5428698800176264
Energy: 1.3862036006557668
Energy: 1.4792696912687096
Energy: 1.3830706122423195
Energy: 1.479269691267477
Energy: 1.3907603063730078
Energy: 1.4754604663420985
Energy: 1.390545156670199
Energy: 1.4754604663445636

minimum gb energy = 1.3647131449475223 eV
minimum distance =  2.30221112762075 Angstroms
sigma value = 25


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

Energy: 1.6156846027101386
Energy: 1.2573627871407438
Energy: 1.661310797360253
Energy: 1.257362787146518
Energy: 1.982710969623528
Energy: 1.2695583881913948
Energy: 1.2422271793115476
Energy: 1.269558388184658
Energy: 1.5405411441678576
Energy: 1.2569752121554552
Energy: 1.1929918397563142
Energy: 1.2569752121583424
Energy: 1.4876367172063385
Energy: 1.2940435550917722
Energy: 1.2412163509761907
Energy: 1.2940435550869602
Energy: 1.2606517360949547
Energy: 1.270846128750533
Energy: 1.4548797285009503
Energy: 1.2708461287514952
Energy: 1.4565662048626793
Energy: 1.2555890478784164
Energy: 1.2632103741774612
Energy: 1.2555890478755292
Energy: 1.2368281883582035
Energy: 1.233693475321785
Energy: 1.4854089967107698
Energy: 1.23369347531986
Energy: 1.1880467043087917
Energy: 1.311180113003845
Energy: 1.5080302711454108
Energy: 1.3111801129999954
Energy: 1.240909636608672
Energy: 1.2717589381441545
Energy: 2.011965569488355
Energy: 1.2717589381460792
Energy: 1.1878316993547264
Energy: 1.23447620447409
Energy: 1.314374257416134
Energy: 1.234476204471203
Energy: 1.2444805344706458
Energy: 1.2337298132947887
Energy: 2.231716184719461
Energy: 1.2337298132957508
Energy: 1.8143678917501393
Energy: 1.309815262520734
Energy: 1.5079389430441172
Energy: 1.3098152625159218
Energy: 1.2435786504109918
Energy: 1.2939140051397746
Energy: 2.212576700100794
Energy: 1.2939140051388123
Energy: 1.8479662825601926
Energy: 1.2334928531533205
Energy: 1.2634967082668458
Energy: 1.233492853155245
Energy: 1.2566916111363866
Energy: 1.2343649944818715
Energy: 1.4643502621911408
Energy: 1.234364994480909
Energy: 1.4823912168525224
Energy: 1.442575993975691
Energy: 1.2361884577991213
Energy: 1.442575993975691
Energy: 1.5064992600675498
Energy: 1.3100250412221237
Energy: 1.1866031921168454
Energy: 1.310025041223086
Energy: 2.0320410476112842
Energy: 1.2704847630113434
Energy: 1.2424794348290547
Energy: 1.2704847630094187
Energy: 1.5837701242882603
Energy: 1.2546900268590429
Energy: 1.1920416303669181
Energy: 1.254690026943691
Energy: 2.464601151001831
Energy: 1.4481850781904306
Energy: 1.2361429661839516
Energy: 1.4481850781933179
Energy: 1.5066829839241145
Energy: 1.3100100260942928
Energy: 1.1767433939630645
Energy: 1.3100100260962178
Energy: 1.5016237212759094
Energy: 1.2936089241220432
Energy: 1.247021621012075
Energy: 1.2936089241258928
Energy: 1.2565098294967256
Energy: 1.2334795019507991
Energy: 1.8547889352585194
Energy: 1.2334795019536864
Energy: 1.4608909592202108
Energy: 1.4479376991404735
Energy: 1.2593438526295622
Energy: 1.4479376991385486
Energy: 1.2404188597231596
Energy: 1.4426100661812153
Energy: 2.086076134833591
Energy: 1.442610066180253
Energy: 1.2031221593774237
Energy: 1.3106023988464481
Energy: 1.5075511103382495
Energy: 1.310602398841636

minimum gb energy = 1.1767433939630645 eV
minimum distance =  2.30701976030876 Angstroms
sigma value = 41


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

Energy: 1.9647689934972359
Energy: 1.1210162066147324
Energy: 1.2748857833181226
Energy: 1.1210162066162748
Energy: 1.9498598519223576
Energy: 1.0958118175003735
Energy: 1.07908780687851
Energy: 1.0958118175011624
Energy: 1.1208719684887047
Energy: 1.075395361400979
Energy: 1.0424826658739674
Energy: 1.0753953614072913
Energy: 1.5076002440537006
Energy: 1.0974722022938685
Energy: 1.0788616755581792
Energy: 1.0974722022946575
Energy: 1.0744609164069807
Energy: 1.1495097796451046
Energy: 1.054379904284038
Energy: 1.1495097796474716
Energy: 1.06435318955097
Energy: 1.0976440092724795
Energy: 1.078993572224522
Energy: 1.0976440092748465
Energy: 1.0781060190125715
Energy: 1.0963717677970215
Energy: 1.0656486081115462
Energy: 1.0963717677978106
Energy: 1.0525346318224411
Energy: 1.1207951757498937
Energy: 1.0754647992848734
Energy: 1.1207951757467378
Energy: 1.0808026885884228
Energy: 1.120911538180125
Energy: 1.5106419574189631
Energy: 1.1209115381785468
Energy: 1.0468596834024388
Energy: 1.0761995181247148
Energy: 1.121798860214123
Energy: 1.0761995181207697
Energy: 1.078232524813621
Energy: 1.0962471851320439
Energy: 2.3243508085321114
Energy: 1.0962471851304658
Energy: 1.052254646253873
Energy: 1.121543277883316
Energy: 1.9646005325135771
Energy: 1.1215432778825272
Energy: 1.0814238654831843
Energy: 1.1211226501547287
Energy: 2.3234377047007575
Energy: 1.1211226501555176
Energy: 1.577039160751407
Energy: 1.2354774050500843
Energy: 1.121130654201648
Energy: 1.235477405048506
Energy: 1.0785224996062432
Energy: 1.0963799235529739
Energy: 1.9293746418535862
Energy: 1.0963799235521847
Energy: 1.590946182546847
Energy: 1.1224997076932242
Energy: 1.0753351435066216
Energy: 1.1224997076955914
Energy: 1.081381264549536
Energy: 1.1203249745920558
Energy: 1.7093268766503675
Energy: 1.120324974592845
Energy: 1.5939746809967097
Energy: 1.2359995363239922
Energy: 1.0790959605957209
Energy: 1.2359995363232033
Energy: 1.0781243511425591
Energy: 1.1207338422231157
Energy: 1.0500674716675498
Energy: 1.1207338422254827
Energy: 1.615032115103613
Energy: 1.1208796551306999
Energy: 1.0757239256749422
Energy: 1.1208796551259657
Energy: 1.1243893949433226
Energy: 1.1194623032320594
Energy: 1.0425799967571028
Energy: 1.1194623032281141
Energy: 2.3225951185425155
Energy: 1.1485363582125045
Energy: 1.0792256431554523
Energy: 1.148536358213294
Energy: 1.9584890493625413
Energy: 1.1194989175854042
Energy: 1.0498696624844648
Energy: 1.1194989175846153
Energy: 1.9653031808353936
Energy: 1.1189704939952894
Energy: 1.0763495799143148
Energy: 1.1189704939960783
Energy: 1.1241425898452289
Energy: 1.2325201005984656
Energy: 1.0442785709164293
Energy: 1.2325201005929427
Energy: 1.928832980324596
Energy: 1.1501947204075982
Energy: 1.079115092600667
Energy: 1.1501947204075982
Energy: 1.0782830526518217
Energy: 1.1200825296643773
Energy: 1.5894429230117335
Energy: 1.1200825296612213
Energy: 1.0782115249634676
Energy: 1.1195596159134216
Energy: 1.075996214697448
Energy: 1.1195596159142105
Energy: 1.081549063846396
Energy: 1.2326159026631813
Energy: 1.5913157325017713
Energy: 1.2326159026631813
Energy: 1.0536075570928811
Energy: 1.1799052674864061
Energy: 1.0826282004640277
Energy: 1.1799052674864061
Energy: 1.0775774345247053
Energy: 1.1197078304112082
Energy: 1.6125330607523167
Energy: 1.1197078304159425
Energy: 1.0517608424209302
Energy: 1.1191928533024615
Energy: 1.1285945469057446
Energy: 1.1191928533000945

minimum gb energy = 1.0424826658739674 eV
minimum distance =  2.30125466567024 Angstroms
sigma value = 15


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

Energy: 1.825795294869984
Energy: 0.9942038207835479
Energy: 1.143022808232431
Energy: 0.994203820785553
Energy: 2.0582228297143885
Energy: 0.9896411820197276
Energy: 0.9919911051399536
Energy: 0.989641182017054
Energy: 1.0286658392096644
Energy: 0.9891867056993039
Energy: 0.9459593102159553
Energy: 0.9891867056966303
Energy: 1.718651840457247
Energy: 0.9897262783369056
Energy: 0.9919671668163276
Energy: 0.9897262783349005
Energy: 0.9889150075964053
Energy: 0.9921005029369508
Energy: 1.4790632968091968
Energy: 0.9921005029362825
Energy: 1.3408025676880875
Energy: 0.9910152445799124
Energy: 0.9920373360503217
Energy: 0.991015244577907
Energy: 0.991512140798942
Energy: 1.008265378364068
Energy: 0.9597091668864851
Energy: 1.0082653783627311
Energy: 0.9600683932859094
Energy: 1.008876888986911
Energy: 0.9918759023390146
Energy: 1.0088768889875792
Energy: 0.9937862472541324
Energy: 1.009986623787562
Energy: 1.3413602575706332
Energy: 1.009986623785557
Energy: 0.9522171584720072
Energy: 0.991167860302707
Energy: 0.9897050607640975
Energy: 0.9911678603080543
Energy: 0.9914810553225782
Energy: 0.9906382988207186
Energy: 1.7195345426124975
Energy: 0.9906382988274025
Energy: 0.9493652816157532
Energy: 0.9898468131298369
Energy: 1.0289255156830923
Energy: 0.9898468131278315
Energy: 0.9937489110779922
Energy: 1.010328235683539
Energy: 2.0573573210361595
Energy: 1.0103282356862127
Energy: 0.9524080359461123
Energy: 0.9905131605028189
Energy: 1.7515343960812522
Energy: 0.9905131605021505
Energy: 0.9911833695970398
Energy: 0.9900415815796735
Energy: 2.386097833405758
Energy: 0.9900415815830155
Energy: 1.4067518663598317
Energy: 0.9897339846189691
Energy: 1.0291065627752845
Energy: 0.9897339846136218
Energy: 0.9938931586575738
Energy: 1.009277566943328
Energy: 2.0435080900392024
Energy: 1.0092775669453335
Energy: 1.415416100094874
Energy: 0.9899016027001087
Energy: 0.9893579710519833
Energy: 0.9899016026994404
Energy: 0.9911280870228537
Energy: 0.9903040789134645
Energy: 1.7042267841682572
Energy: 0.9903040789161381
Energy: 1.4118751753931515
Energy: 0.9903460763525825
Energy: 0.9921769651693407
Energy: 0.9903460763525825
Energy: 0.9937879255513848
Energy: 1.0290744561158587
Energy: 1.516793531516988
Energy: 1.0290744561118483
Energy: 1.4300726273124664
Energy: 1.008212374959269
Energy: 0.9962554312191235
Energy: 1.0082123749572638
Energy: 0.9912353609752108
Energy: 0.9903477504968456
Energy: 0.9491730366838995
Energy: 0.9903477504914985
Energy: 1.7187642163307617
Energy: 0.9913563506416779
Energy: 0.9918477499874022
Energy: 0.9913563506450198
Energy: 1.0310709690429054
Energy: 1.0290972364377131
Energy: 0.9462869341753573
Energy: 1.0290972364330342
Energy: 2.069485470727313
Energy: 1.0083945387267195
Energy: 0.9963705120300625
Energy: 1.008394538722709
Energy: 1.7511861135675337
Energy: 0.9895604299356721
Energy: 0.9495226329363611
Energy: 0.989560429939014
Energy: 2.3826541904116283
Energy: 0.9904011628626721
Energy: 0.9918220001915989
Energy: 0.9904011628626721
Energy: 1.03072841634881
Energy: 1.02729321311189
Energy: 0.9473523622204452
Energy: 1.027293213108548
Energy: 1.7284709200654569
Energy: 1.0080460398598032
Energy: 0.9964560604861449
Energy: 1.0080460398611402
Energy: 0.9912520211599611
Energy: 0.9885312432319379
Energy: 1.412227663685024
Energy: 0.9885312432285958
Energy: 1.7048516082887037
Energy: 0.9892719304197166
Energy: 0.9921137533437061
Energy: 0.9892719304197166
Energy: 0.9938071342317235
Energy: 1.0274357901135192
Energy: 1.416992159927982
Energy: 1.0274357901202034
Energy: 0.9644955927333523
Energy: 1.028467895695963
Energy: 0.9963690546978883
Energy: 1.0284678956926208
Energy: 0.9641476965718871
Energy: 0.9887415236765893
Energy: 1.434336234044406
Energy: 0.9887415236772575
Energy: 0.9468534082631679
Energy: 0.9894309572793081
Energy: 0.9943305557778129
Energy: 0.9894309572739608
Energy: 0.9940379087736337
Energy: 1.1215876075581992
Energy: 2.119085401150864
Energy: 1.1215876075401523

minimum gb energy = 0.9459593102159553 eV
minimum distance =  2.29921719136076 Angstroms
sigma value = 85


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

Energy: 1.677799245556268
Energy: 0.9642091912144799
Energy: 1.1398699926166478
Energy: 0.9642091912150595
Energy: 2.142887806867776
Energy: 0.9596552825920768
Energy: 0.9071037080915061
Energy: 0.9596552825932362
Energy: 1.6290986630961535
Energy: 0.9598481142506434
Energy: 0.830501236580973
Energy: 0.9598481142494839
Energy: 1.8457663678470186
Energy: 0.9596291993427905
Energy: 0.9071576577916669
Energy: 0.9596291993422108
Energy: 0.9590069337825927
Energy: 0.9052649874954594
Energy: 0.8360772909090176
Energy: 0.9052649874943001
Energy: 1.546102278227737
Energy: 0.9610683796130157
Energy: 0.9074503802013427
Energy: 0.9610683796141752
Energy: 0.9044673511538451
Energy: 0.992784467476492
Energy: 0.8584805101695858
Energy: 0.9927844674770717
Energy: 1.4978152897154837
Energy: 0.9594210176797283
Energy: 0.9070906257913425
Energy: 0.959421017678569
Energy: 0.9065432668069608
Energy: 0.9330172657887397
Energy: 1.205406831270658
Energy: 0.9330172657898991
Energy: 1.171858963684885
Energy: 0.9895268156210364
Energy: 0.9050216818301121
Energy: 0.9895268156227756
Energy: 0.9088717133783829
Energy: 0.959534334666721
Energy: 1.5466270539995695
Energy: 0.959534334666721
Energy: 0.8371470639030423
Energy: 0.958967973062602
Energy: 0.9596406357536356
Energy: 0.9589679730736164
Energy: 0.9065860108452185
Energy: 0.9307807861881184
Energy: 1.8449223178095966
Energy: 0.9307807861898575
Energy: 0.8301256656053293
Energy: 0.9601008864963826
Energy: 1.572398098007832
Energy: 0.9601008864952232
Energy: 0.9088404009554264
Energy: 0.9597330526257795
Energy: 2.40278163568106
Energy: 0.9597330526338953
Energy: 0.8360281987669828
Energy: 0.9641850273931496
Energy: 1.6251995134968793
Energy: 0.9641850273919903
Energy: 0.9066216802553465
Energy: 0.9307689122391635
Energy: 2.4025966123260387
Energy: 0.9307689122374244
Energy: 1.2322862649265975
Energy: 0.9600624423854388
Energy: 1.5723697761427329
Energy: 0.9600624423877576
Energy: 0.9086039296002087
Energy: 0.9596624982774804
Energy: 2.1039476003351743
Energy: 0.9596624982786399
Energy: 1.2411850825511364
Energy: 0.96448034910747
Energy: 0.9596195437618356
Energy: 0.9644803491063105
Energy: 0.9068522966010668
Energy: 0.9308373289562745
Energy: 1.8023272776356165
Energy: 0.930837328957434
Energy: 1.2448319651177042
Energy: 0.9597386922771551
Energy: 0.9051047549825751
Energy: 0.959738692275416
Energy: 0.9086825373853329
Energy: 0.9585809574942215
Energy: 1.4979239266532471
Energy: 0.9585809574942215
Energy: 1.269393724970228
Energy: 0.9889096324111252
Energy: 0.9070590387073515
Energy: 0.9889096324099657
Energy: 0.9070120759920305
Energy: 0.9585501070819811
Energy: 1.1715277791004302
Energy: 0.9585501070866188
Energy: 1.5477899073010404
Energy: 0.9597174059642687
Energy: 0.911566361407418
Energy: 0.9597174059631093
Energy: 0.96134357497731
Energy: 0.9583538449169091
Energy: 0.83295579242572
Energy: 0.9583538449174888
Energy: 1.8339653628717592
Energy: 0.9889984506040395
Energy: 0.9072285278951769
Energy: 0.9889984506040395
Energy: 1.5776945718812672
Energy: 0.9611917371830596
Energy: 0.8328930571626192
Energy: 0.961191737184219
Energy: 2.4024425646330316
Energy: 0.9599879608506655
Energy: 0.9113200745243921
Energy: 0.9599879608512453
Energy: 1.6271536750290339
Energy: 0.9586128689875416
Energy: 0.8329241508135167
Energy: 0.9586128689666721
Energy: 2.1357615249014423
Energy: 0.9887393381286947
Energy: 0.9072582038130248
Energy: 0.9887393381304337
Energy: 1.5771054806590017
Energy: 0.9579029717338736
Energy: 0.8311680244470013
Energy: 0.9579029717344534
Energy: 2.1039133240607466
Energy: 0.9599500273444774
Energy: 0.9114587687599415
Energy: 0.9599500273467962
Energy: 0.9617642416952781
Energy: 0.9582472554695749
Energy: 1.2472110748193423
Energy: 0.9582472554695749
Energy: 1.5288828803453818
Energy: 0.9890881281085989
Energy: 0.9074531312164558
Energy: 0.9890881281097583
Energy: 0.9069397164403393
Energy: 0.9580417217648809
Energy: 1.2427946402952004
Energy: 0.9580417217637215
Energy: 1.4976229959110092
Energy: 0.9582148423020334
Energy: 0.9113397673884267
Energy: 0.958214842300874
Energy: 0.9087660571292862
Energy: 0.958311411837739
Energy: 1.268418189051466
Energy: 0.958311411833681
Energy: 0.8655458001579375
Energy: 1.0189895519650696
Energy: 0.9095413367906424
Energy: 1.01898955196449
Energy: 0.9061288964720128
Energy: 0.9580011476332844
Energy: 1.8829364683714396
Energy: 0.958001147636183
Energy: 0.8382606926489146
Energy: 0.9581064305192231
Energy: 0.9644715583707785
Energy: 0.9581064305157448
Energy: 0.9089182657359716
Energy: 0.958176899394244
Energy: 1.903324800341067
Energy: 0.958176899398302

minimum gb energy = 0.8301256656053293 eV
minimum distance =  2.3095751436025 Angstroms
sigma value = 113


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

Energy: 0.018507724901828164
Energy: 0.019567091338842397
Energy: 1.1350104248071502
Energy: 0.01956709133800062
Energy: 1.1344860615642902
Energy: 0.35194829033036296
Energy: 0.3526906081331648
Energy: 0.3519482903308086
Energy: 0.01850772490138251
Energy: 0.019567091338842397
Energy: 1.1350054145591735
Energy: 0.01956709133800062
Energy: 1.1344860615621117
Energy: 0.3519482903299668
Energy: 0.3526906074850895
Energy: 0.3519482903308086
Energy: 0.01850772490138251
Energy: 0.019567091338842397
Energy: 1.1350163313577017
Energy: 0.01956709133800062
Energy: 1.1344860615647359
Energy: 0.3519482903308086
Energy: 0.35269060741972735
Energy: 0.35194829032818414

minimum gb energy = 0.01850772490138251 eV
minimum distance =  2.5345269390071 Angstroms
sigma value = 1