Model name: model_name=Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Fe__SM_267016608755_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.608429037034512
cohesive_energy=4.255447061354488
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.020218298726438624
Energy: 0.46545378970326434
Energy: 0.6262363978066444
Energy: 0.4653904855832887
Energy: 0.020218298726438624
Energy: 0.4654537897027789
Energy: 0.6262363978066444
Energy: 0.4368314940090133
Energy: 0.020705182912793278
Energy: 0.24702102032555048
Energy: 0.020776609566339303
Energy: 0.4368314940090133
Energy: 0.020705182912793278
Energy: 0.24702102032555048
Energy: 0.020218298726438624
Energy: 0.4654537897035214
Energy: 0.6262363978066444
Energy: 0.4653904855832887
Energy: 0.020218298726438624
Energy: 0.4654537897027789
Energy: 0.6262363978066444
Energy: 0.4368314940090133
Energy: 0.020705182912793278
Energy: 0.24702102032555048
Energy: 0.020776609566339303
Energy: 0.4368314940090133
Energy: 0.020705182912793278
Energy: 0.24702102032555048
Energy: 0.020218298726438624
Energy: 0.46545378970326434
Energy: 0.6262363978066444
Energy: 0.4653904855832887
Energy: 0.020218298726438624
Energy: 0.4654537897030074
Energy: 0.6262363978066444
Energy: 0.4368314940090133
Energy: 0.020705182912793278
Energy: 0.24702102032555048
Energy: 0.020776609563826483
Energy: 0.4368314940090133
Energy: 0.020705182912793278
Energy: 0.24702102032555048

minimum gb energy = 0.020218298726438624 eV
minimum distance =  2.5280548267392 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.088021090623246
Energy: 1.0075623847941844
Energy: 1.0051957650700936
Energy: 1.0263718244912783
Energy: 1.088021090626316
Energy: 1.0075623847941844
Energy: 1.0051957650670238
Energy: 0.9577606165761734
Energy: 0.9624942079802049
Energy: 0.9986105449391826
Energy: 1.0143244804570606
Energy: 0.9577606165761734
Energy: 0.9624942079802049
Energy: 0.9986105449422525
Energy: 1.037122354145518
Energy: 1.0597175575177884
Energy: 1.061730066225278
Energy: 0.9977973729688875
Energy: 1.037122354145518
Energy: 1.0597175575208584
Energy: 1.061730066219138
Energy: 1.165126749565222
Energy: 1.0395231945583572
Energy: 1.0087760682671754
Energy: 1.037617427497395
Energy: 1.165126749565222
Energy: 1.0395231945614272
Energy: 1.0087760682733151
Energy: 1.1115263333602823
Energy: 1.0100720730642199
Energy: 1.0525631325102676
Energy: 0.9534615936675379
Energy: 1.1115263333602823
Energy: 1.0100720730642199
Energy: 1.0525631325102676
Energy: 1.0592565614436447
Energy: 0.9903464727208675
Energy: 1.1071016305967714
Energy: 0.987080742548383
Energy: 1.0592565614375051
Energy: 0.9903464727177976
Energy: 1.1071016305937018
Energy: 1.0211694561276272
Energy: 0.9899687857121333
Energy: 1.0674288419229108
Energy: 1.0614587848965094
Energy: 1.021169456133767
Energy: 0.9899687857121333
Energy: 1.067428841919841
Energy: 1.0274228511231271
Energy: 1.037170443179209
Energy: 1.0126487224175735
Energy: 1.0654522157538155
Energy: 1.0274228511231271
Energy: 1.0371704431822788
Energy: 1.0126487224206433
Energy: 1.0620296004302723
Energy: 1.0946507609114973
Energy: 0.9931621612842709
Energy: 1.1334403462043623
Energy: 1.0620296004302723
Energy: 1.0946507609114973
Energy: 0.9931621612812009
Energy: 1.1218366805085256
Energy: 0.983397413558858
Energy: 1.0442997159909768
Energy: 1.0248965792992883
Energy: 1.1218366805085256
Energy: 0.9833974135557882
Energy: 1.0442997159940466
Energy: 1.0577118575423872
Energy: 1.0757430527840903
Energy: 1.0454877175944457
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Energy: 1.0577118575393174
Energy: 1.0757430527810203
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Energy: 1.051499920050051
Energy: 0.9869846436284303
Energy: 0.9570590207908077
Energy: 1.0869113037093223
Energy: 1.0514999200531208
Energy: 0.9869846436284303
Energy: 1.0828731204871795
Energy: 1.0852894286294268
Energy: 0.9926249188599053
Energy: 1.0816835587118552
Energy: 1.0828731204841093
Energy: 1.0852894286263568
Energy: 0.9926249188568356
Energy: 1.0390579747779647
Energy: 1.0059447757898472
Energy: 1.1141274120724558
Energy: 1.0048387560989913
Energy: 1.0390579747748947
Energy: 1.0059447757867772
Energy: 1.1141274120693858
Energy: 1.074189597746082
Energy: 1.0399898379198007
Energy: 1.1385679081033817
Energy: 1.0153833263010215
Energy: 1.074189597746082
Energy: 1.0399898379198007
Energy: 1.1385679081033817
Energy: 1.159890134621363
Energy: 1.0622319467749055
Energy: 1.051508928733836
Energy: 1.0517787070404185
Energy: 1.159890134621363
Energy: 1.0622319467687658
Energy: 1.051508928733836
Energy: 1.0007062507371074
Energy: 1.081536164092315
Energy: 1.13271783664985
Energy: 1.0682859009955892
Energy: 1.0007062507309676
Energy: 1.081536164089245
Energy: 1.1327178366467803
Energy: 1.03484581980498
Energy: 1.0659225865276434
Energy: 1.053565276703161
Energy: 1.013491249343692
Energy: 1.0348458198019101
Energy: 1.0659225865245734
Energy: 1.0535652767000911
Energy: 1.1148708824750468
Energy: 1.1098241240470212
Energy: 1.1244965686939674
Energy: 1.1023559933364808
Energy: 1.1148708824781168
Energy: 1.1098241240470212
Energy: 1.1244965686970374
Energy: 1.0903228964267613
Energy: 1.056369171412758
Energy: 0.9700241918430099
Energy: 0.9665981471720501
Energy: 1.0903228964236913
Energy: 1.056369171412758
Energy: 0.9700241918399959
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Energy: 0.9702792226336334
Energy: 1.0593028528670436
Energy: 1.0089932326108113
Energy: 1.0137261439189562
Energy: 0.9702792226336334
Energy: 1.0593028528670436
Energy: 1.035023194187984
Energy: 1.0126340040513584
Energy: 1.0453956649313003
Energy: 1.072413871824721
Energy: 1.035023194187984
Energy: 1.0126340040452186
Energy: 1.0453956649251606
Energy: 1.0269619564339054
Energy: 1.0343228406925493
Energy: 1.1012771015923988
Energy: 0.9858737159891146
Energy: 1.0269619564339054
Energy: 1.0343228406894793
Energy: 1.101277101589329
Energy: 1.0401164352282335
Energy: 1.0150727273853508
Energy: 0.9676870295699089
Energy: 1.010987945496833
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Energy: 1.0150727273853508
Energy: 0.96768702953307
Energy: 1.107729533169824
Energy: 1.0079440610475887
Energy: 1.0921724540058535
Energy: 1.0497399399289478
Energy: 1.107729533169824
Energy: 1.0079440610475887
Energy: 1.0921724540058535
Energy: 1.0135550410171903
Energy: 1.0347509650376083
Energy: 1.006364949621602
Energy: 1.0465914131165228
Energy: 1.01355504102026
Energy: 1.0347509650406785
Energy: 1.006364949624672
Energy: 1.0077110525310744
Energy: 1.0259964532239894
Energy: 1.0270680574001603
Energy: 0.9676477984944108
Energy: 1.0077110525341444
Energy: 1.0259964532178496
Energy: 1.0270680574001603
Energy: 1.0893861184695361
Energy: 1.008934500273125
Energy: 1.0963845557405056
Energy: 0.9547707322554378
Energy: 1.0893861184726061
Energy: 1.008934500273125
Energy: 1.0963845557374359
Energy: 1.0842567814535233
Energy: 0.9900718025201394
Energy: 1.095100512598782
Energy: 1.071289851561517
Energy: 1.0842567814535233
Energy: 0.9900718025201394
Energy: 1.0951005126018518
Energy: 0.9843666569570945
Energy: 1.066188937602978
Energy: 1.1700732993202105
Energy: 1.0133294726014592
Energy: 0.9843666569540246
Energy: 1.066188937599908
Energy: 1.1700732993171403
Energy: 1.149680909433241
Energy: 1.0368772805621778
Energy: 1.0353623140012598
Energy: 0.9206157103029295
Energy: 1.149680909433241
Energy: 1.0368772805621778
Energy: 1.0353623140012598
Energy: 1.0747932282506452
Energy: 0.9471330468838327
Energy: 0.9990057199992223
Energy: 0.977482161708534
Energy: 1.0747932282567847
Energy: 0.9471330468808186
Energy: 0.9990057200053621
Energy: 1.1046232266493947
Energy: 1.0137074909094963
Energy: 1.0606193673986946
Energy: 1.0351874904538476
Energy: 1.104623226646325
Energy: 1.0137074909125663
Energy: 1.0606193674017645
Energy: 1.0208140085055488
Energy: 1.0707232901719903
Energy: 1.0016130808742254
Energy: 1.029189042146326
Energy: 1.0208140085024788
Energy: 1.0707232901689203
Energy: 1.001613080886505
Energy: 1.045785448501564
Energy: 1.0028329786101868
Energy: 0.9708167401764387
Energy: 0.9900423614300641
Energy: 1.0457854484954245
Energy: 1.0028329786071728
Energy: 0.9708167401733688
Energy: 1.1210713601870683
Energy: 0.9637686974409766
Energy: 1.0527630384402975
Energy: 1.0488988174458747
Energy: 1.1210713601839986
Energy: 0.9637686974409766
Energy: 1.0527630384402975
Energy: 1.0564054983168643
Energy: 1.0598259818875229
Energy: 1.126614040551082
Energy: 1.0174793503969821
Energy: 1.0564054983168643
Energy: 1.0598259818875229
Energy: 1.126614040554152
Energy: 0.9737515767044014
Energy: 1.0131984432992003
Energy: 1.1083291497673915
Energy: 0.9585973934900855
Energy: 0.9737515767013314
Energy: 1.0131984433022703
Energy: 1.1083291497643215
Energy: 1.0453400429862583
Energy: 1.0516498236044534
Energy: 1.0833071425738108
Energy: 1.030699701470803
Energy: 1.0453400429862583
Energy: 1.0516498236013836
Energy: 1.0833071425738108
Energy: 1.0259207497332765
Energy: 0.9825078533624454
Energy: 1.059359809626637
Energy: 1.0918794203891495
Energy: 1.0259207497302067
Energy: 0.9825078533655153
Energy: 1.059359809629707
Energy: 1.001461425071605
Energy: 1.0821304800164087
Energy: 1.112005432871557
Energy: 1.081309090625805
Energy: 1.001461425071605
Energy: 1.0821304800164087
Energy: 1.1120054328746267
Energy: 1.04393271735416
Energy: 1.079854353370295
Energy: 1.0649616262451607
Energy: 0.9949554828861555
Energy: 1.04393271735416
Energy: 1.079854353367225
Energy: 1.0649616262482307
Energy: 1.1102520284229045
Energy: 1.0759239876164943
Energy: 1.154572930377475
Energy: 1.054380220998623
Energy: 1.1102520284229045
Energy: 1.075923987619564
Energy: 1.154572930377475
Energy: 1.0050390861532366
Energy: 1.0122205188840037
Energy: 0.9801990724056676
Energy: 1.0299603375034556
Energy: 1.0050390861532366
Energy: 1.0122205188840037
Energy: 0.9801990724056676
Energy: 1.012391872045689
Energy: 1.0138868104393124
Energy: 1.1195251979800147
Energy: 1.0236411054958001
Energy: 1.0123918720426193
Energy: 1.0138868104362426
Energy: 1.1195251979861545
Energy: 1.128440007528926
Energy: 1.0010551299926602
Energy: 1.0683770945623792
Energy: 0.9456726564852086
Energy: 1.1284400075319958
Energy: 1.0010551299926602
Energy: 1.068377094565449
Energy: 1.0070590470775278
Energy: 0.9757391592061214
Energy: 1.0133449832755879
Energy: 1.017436139653854
Energy: 1.0070590470805978
Energy: 0.9757391592122612
Energy: 1.0133449832786579

minimum gb energy = 0.9206157103029295 eV
minimum distance =  2.2242269688273 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.083749055486349
Energy: 0.9823605558820792
Energy: 1.0935788031124165
Energy: 1.0557640088704818
Energy: 1.0837490554898337
Energy: 0.9823605558820792
Energy: 1.0935788031089317
Energy: 0.9787329261182635
Energy: 0.9036473460771001
Energy: 1.0742272113008837
Energy: 1.1163416503496655
Energy: 0.978732926114779
Energy: 0.9036473460771001
Energy: 1.0742272113008837
Energy: 1.0054208259804283
Energy: 1.0677273120651543
Energy: 0.883222182417353
Energy: 1.1094313511303973
Energy: 1.0054208259804283
Energy: 1.0677273120651543
Energy: 0.883222182417353
Energy: 1.1266465268196761
Energy: 1.0997715922875562
Energy: 0.910972219699325
Energy: 1.042972582844061
Energy: 1.1266465268161914
Energy: 1.0997715922910407
Energy: 0.910972219699325
Energy: 1.0552406552898308
Energy: 1.0542434182228868
Energy: 1.0825294450190088
Energy: 1.0228101998076617
Energy: 1.0552406552933156
Energy: 1.0542434182228868
Energy: 1.082529445015524
Energy: 1.0371915253830088
Energy: 1.0590160111388034
Energy: 0.9918863300998302
Energy: 1.132099174382687
Energy: 1.0371915253864934
Energy: 1.059016011131834
Energy: 0.9918863300963455
Energy: 1.0547911923443494
Energy: 1.078784514193693
Energy: 1.1181505523676334
Energy: 1.0257360371865005
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Energy: 1.078784514193693
Energy: 1.1181505523676334
Energy: 0.9427697335927191
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Energy: 1.045888809879699
Energy: 0.9427697335927191
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Energy: 1.081994905801314
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Energy: 1.0547804957930982
Energy: 0.9569677753603424
Energy: 0.9705077341428421
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Energy: 0.9865407717438986
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Energy: 1.0911893863521194
Energy: 0.9121350861882845
Energy: 0.9993557419622273
Energy: 0.9829953984645556
Energy: 1.0911893863486346
Energy: 1.0757266646926378
Energy: 1.0787562766514038
Energy: 1.0649888081513157
Energy: 0.9372167211836586
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Energy: 1.0787562766548884
Energy: 1.0649888081478311
Energy: 1.1661158904010587
Energy: 0.9823605558820792
Energy: 1.101771893642752
Energy: 1.0557640088704818
Energy: 1.1661158903906048
Energy: 0.9823605558820792
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Energy: 0.978732926114779
Energy: 0.9036473460736153
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Energy: 1.0766228679577756
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Energy: 1.0054208259804283
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Energy: 0.9117507939791295
Energy: 1.1094313511303973
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Energy: 0.911750793982614
Energy: 1.1266465268196761
Energy: 1.0918810897999738
Energy: 0.910972219699325
Energy: 1.042972582844061
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Energy: 1.0228101998076617
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Energy: 1.078784514193693
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Energy: 0.9799061905153609
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Energy: 1.0605637337084142
Energy: 1.0380776363651159
Energy: 1.1093109671244998
Energy: 1.0547804957930982
Energy: 1.0279164351365535
Energy: 0.9705077341428421
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Energy: 1.054780495796583
Energy: 1.0279164351400383
Energy: 1.1260610630997747
Energy: 0.9966349501920361
Energy: 1.0388147578524785
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Energy: 0.9966349501816456
Energy: 1.0388147578524785
Energy: 1.037128575925967
Energy: 0.9829953984645556
Energy: 1.0958120936275846
Energy: 0.9121350861882845
Energy: 1.037128575925967
Energy: 0.9829953984645556
Energy: 1.0958120936275846
Energy: 1.0678981189170897
Energy: 1.0787562766514038
Energy: 1.0541964732207065
Energy: 0.9372167211871434
Energy: 1.0678981189170897
Energy: 1.0787562766548884
Energy: 1.054196473217222
Energy: 1.083749055486349
Energy: 0.9823605558820792
Energy: 1.110438001101107
Energy: 1.0557640088704818
Energy: 1.0837490554898337
Energy: 0.9823605558820792
Energy: 1.1104380010976225
Energy: 0.978732926114779
Energy: 0.9036473460736153
Energy: 1.0983492921420186
Energy: 1.1163416503496655
Energy: 0.978732926114779
Energy: 0.9036473460736153
Energy: 1.0983492921455034
Energy: 1.0054208259804283
Energy: 1.0677273120686388
Energy: 0.883222182417353
Energy: 1.1094313511303973
Energy: 1.0054208259769435
Energy: 1.0677273120651543
Energy: 0.883222182417353
Energy: 1.1266465268161914
Energy: 1.0997715922875562
Energy: 0.8970343239252777
Energy: 1.042972582844061
Energy: 1.1266465268161914
Energy: 1.0997715922910407
Energy: 0.8970343239252777
Energy: 1.0552406552898308
Energy: 1.0542434182228868
Energy: 1.074973817758286
Energy: 1.0228101998076617
Energy: 1.0552406552933156
Energy: 1.0542434182228868
Energy: 1.074973817758286
Energy: 1.0371915253830088
Energy: 1.0590160111388034
Energy: 1.026419461716763
Energy: 1.1320991743792024
Energy: 1.0371915253864934
Energy: 1.0590160111353184
Energy: 1.026419461716763
Energy: 1.0547911923408648
Energy: 1.0787845141971775
Energy: 1.086966025635686
Energy: 1.0257360371865005
Energy: 1.05479119233738
Energy: 1.078784514193693
Energy: 1.1418601157681882
Energy: 0.9427697335962039
Energy: 1.1049346573290197
Energy: 1.0471709127881939
Energy: 1.045888809879699
Energy: 0.9427697335927191
Energy: 1.1049346573290197
Energy: 1.0471709127916784
Energy: 0.9988127075434731
Energy: 1.0605637337049294
Energy: 1.0262280930640661
Energy: 0.9799061905153609
Energy: 0.9988127075434731
Energy: 1.0605637337084142
Energy: 1.0262280930605814
Energy: 1.1093109671244998
Energy: 1.0547804957930982
Energy: 1.0539037055822211
Energy: 0.9705077341428421
Energy: 1.109310967121015
Energy: 1.054780495796583
Energy: 1.0539037055787361
Energy: 1.1260610630997747
Energy: 1.0240127641367438
Energy: 1.0388147578524785
Energy: 0.9721612790468249
Energy: 1.1260610631032595
Energy: 1.0240127641367438
Energy: 1.0388147578524785
Energy: 0.9993557419622273
Energy: 0.9829953984645556
Energy: 1.1232512860524795
Energy: 0.9121350861882845
Energy: 0.9993557419622273
Energy: 0.9829953984645556
Energy: 1.1232512860489947
Energy: 1.0757266646926378
Energy: 1.0787562766514038
Energy: 1.054196473217222
Energy: 0.9372167211871434
Energy: 1.0757266646926378
Energy: 1.0787562766548884
Energy: 1.054196473217222
Energy: 1.1661158904010587
Energy: 0.9823605558820792
Energy: 1.0640944235808036
Energy: 1.0557640088704818
Energy: 1.1661158903906048
Energy: 0.9823605558820792
Energy: 1.064094423577319
Energy: 0.9787329261182635
Energy: 0.9036473460771001
Energy: 1.0983492921420186
Energy: 1.0766228679577756
Energy: 0.978732926114779
Energy: 0.9036473460736153
Energy: 1.0983492921455034

minimum gb energy = 0.883222182417353 eV
minimum distance =  2.27041165828577 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.0245970234420194
Energy: 1.1006311786719578
Energy: 1.0468998109310967
Energy: 1.0515933994381157
Energy: 1.024597023442824
Energy: 1.100631178671153
Energy: 1.046899810930292
Energy: 1.0809062503627098
Energy: 1.1593026582130452
Energy: 1.0238253938583721
Energy: 1.0260876965461492
Energy: 1.0809062503606979
Energy: 1.1593026582114356
Energy: 1.0238253938591768
Energy: 1.0438738733429747
Energy: 1.0409775978744273
Energy: 0.9851150354673356
Energy: 0.9549547047093745
Energy: 1.0438738733413655
Energy: 1.0409775978736227
Energy: 0.9851150354673356
Energy: 0.9817534988230494
Energy: 1.0491673394302172
Energy: 0.9643549943652937
Energy: 0.9883286463690454
Energy: 0.9817534988242563
Energy: 1.0491673394306196
Energy: 0.9643549943648914
Energy: 1.0326468390872758
Energy: 1.0212998610334374
Energy: 0.983732387218611
Energy: 1.0019215313653085
Energy: 1.0326468390872758
Energy: 1.0212998610330348
Energy: 0.9837323872198183
Energy: 0.9520971365859595
Energy: 1.0996893881647125
Energy: 1.108397648425798
Energy: 1.0452599704520755
Energy: 0.9520971365863617
Energy: 1.0996893881643102
Energy: 1.1083976484253955
Energy: 0.959348040891455
Energy: 0.9902367643612608
Energy: 1.0181269701303557
Energy: 0.9860507259492595
Energy: 0.9593480408918574
Energy: 0.9902367643612608
Energy: 1.018126970129551
Energy: 0.9989752785730331
Energy: 1.0503518792952355
Energy: 1.2139956467690318
Energy: 1.0662686269964965
Energy: 0.9989752785726307
Energy: 1.0503518792964426
Energy: 1.2139956467694342
Energy: 1.130968477416555
Energy: 1.1281205050015624
Energy: 1.2457040211298926
Energy: 0.9392102014720917
Energy: 1.1309684774169573
Energy: 1.1281205050015624
Energy: 1.24570402112949
Energy: 1.0344761180005089
Energy: 0.985453218015066
Energy: 0.9935924891137672
Energy: 1.003276009092086
Energy: 1.0344761180013136
Energy: 0.9854532180158707
Energy: 0.9935924891153767
Energy: 1.1960192393740725
Energy: 1.0357836438671075
Energy: 1.0947201069660017
Energy: 1.020508422454783
Energy: 1.1960192393724631
Energy: 1.0357836438675099
Energy: 1.0947201069643921
Energy: 1.0634941275393561
Energy: 1.0719083994769327
Energy: 1.0384727537816099
Energy: 1.0501524388811412
Energy: 1.0634941275373444
Energy: 1.0719083994753233
Energy: 1.0384727537816099
Energy: 1.1220545901978538
Energy: 1.040782041515909
Energy: 1.1680141383950808
Energy: 1.025578575185665
Energy: 1.1220545901982562
Energy: 1.0407820415134947
Energy: 1.1680141383946785
Energy: 0.9995610246547743
Energy: 1.0089596073094083
Energy: 1.0690654374451014
Energy: 0.9748445011359367
Energy: 0.9995610246571884
Energy: 1.0089596073094083
Energy: 1.0690654374455038
Energy: 1.169979300184831
Energy: 1.0548955280117
Energy: 1.1289159149054449
Energy: 1.0310280645112666
Energy: 1.1699793001864407
Energy: 1.0548955280112977
Energy: 1.1289159149046402
Energy: 1.034487803546172
Energy: 1.0201973140273586
Energy: 1.0294263947341467
Energy: 1.0274869784337162
Energy: 1.034487803547379
Energy: 1.020197314025749
Energy: 1.0294263947337443
Energy: 1.1792665638894513
Energy: 1.1243849871058065
Energy: 1.0576490917200243
Energy: 0.9950329268018332
Energy: 1.1792665638898538
Energy: 1.1243849871062086
Energy: 1.0576490917212313
Energy: 0.9879888108311663
Energy: 1.0312616640452485
Energy: 0.9686967360177143
Energy: 0.9790050803367767
Energy: 0.987988810831971
Energy: 1.0312616640440415
Energy: 0.9686967360173119
Energy: 1.1233473659799338
Energy: 1.0141163341954105
Energy: 1.115995276260155
Energy: 0.976822115216758
Energy: 1.1233473659815434
Energy: 1.0141163341962152
Energy: 1.115995276262167
Energy: 0.9535273568699473
Energy: 1.1280317485440605
Energy: 1.2459297021379345
Energy: 1.0848486895255904
Energy: 0.9535273568695449
Energy: 1.1280317485440605
Energy: 1.2459297021379345
Energy: 0.9417623519953312
Energy: 0.9948623030738871
Energy: 1.0867932118869865
Energy: 1.0765751295708195
Energy: 0.9417623519949287
Energy: 0.9948623030746919
Energy: 1.086793211887389
Energy: 1.0197612056313634
Energy: 1.1120433057856638
Energy: 1.0919395588400689
Energy: 1.0531337004656505
Energy: 1.019761205632168
Energy: 1.1120433057856638
Energy: 1.0919395588388618
Energy: 1.0605562930249215
Energy: 0.9258927274891917
Energy: 0.997836361752408
Energy: 0.9942225657866537
Energy: 1.0605562930257262
Energy: 0.9258927274891917
Energy: 0.9978363617528103
Energy: 1.0499995964306295
Energy: 1.0798568015269188
Energy: 1.1155222292316804
Energy: 1.03300361848147
Energy: 1.0499995964306295
Energy: 1.079856801528126
Energy: 1.1155222292316804
Energy: 1.0274425441225539
Energy: 1.03293915817025
Energy: 1.0640360755930378
Energy: 1.0301808948451854
Energy: 1.0274425441241635
Energy: 1.0329391581706526
Energy: 1.0640360755910625
Energy: 1.1820920959533623
Energy: 1.0255593082319916
Energy: 1.0314391099918683
Energy: 0.9998026179403061
Energy: 1.182092095954167
Energy: 1.0255593082315893
Energy: 1.0314391099918683
Energy: 1.043449110200092
Energy: 1.1192867199286216
Energy: 1.019039816432038
Energy: 1.1006125930905393
Energy: 1.043449110200897
Energy: 1.119286719928219
Energy: 1.0190398164304284
Energy: 1.1379661488653763
Energy: 1.0757487367302394
Energy: 0.9694123729112878
Energy: 1.072897032513454
Energy: 1.137966148866181
Energy: 1.075748736731044
Energy: 0.9694123729108857
Energy: 1.1125661481589972
Energy: 1.0123047578134485
Energy: 1.0038080801253961
Energy: 0.9848995044775067
Energy: 1.1125661481606068
Energy: 1.012304757813851
Energy: 1.0038080801249936
Energy: 1.025167646187213
Energy: 1.1224618178245944
Energy: 0.9916115897712513
Energy: 1.0315792177700693
Energy: 1.0251676461876154
Energy: 1.1224618178245944
Energy: 0.9916115897724583
Energy: 0.9437169433814819
Energy: 1.093305184334803
Energy: 1.0116939312514455
Energy: 0.9568075577628974
Energy: 0.94371694337947
Energy: 1.093305184334803
Energy: 1.0116939312506406
Energy: 1.0180284106292334
Energy: 1.0523382777497412
Energy: 1.0884929454079872
Energy: 1.054100146083638
Energy: 1.0180284106284287
Energy: 1.052338277750546
Energy: 1.0884929454071826
Energy: 0.9794122886461636
Energy: 1.0260594745167826
Energy: 1.0457908577572117
Energy: 0.9532849036164521
Energy: 0.9794122886457612
Energy: 1.026059474517185
Energy: 1.045790857757614
Energy: 0.9524369287970117
Energy: 1.0613533897389988
Energy: 1.245207199103493
Energy: 1.0846931368512147
Energy: 0.9524369287966094
Energy: 1.061353389740206
Energy: 1.2452071991030906
Energy: 1.073510747302296
Energy: 1.1026543786104994
Energy: 1.151054983061249
Energy: 0.9392290994040404
Energy: 1.073510747303503
Energy: 1.1026543786109018
Energy: 1.1510549830596397
Energy: 1.03475845493987
Energy: 1.0135734969915187
Energy: 1.0306123011463646
Energy: 1.0125279758586399
Energy: 1.0347584549390652
Energy: 1.0135734969919208
Energy: 1.0306123011463646

minimum gb energy = 0.9258927274891917 eV
minimum distance =  2.25148472514469 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.9521962656945082
Energy: 1.125982596419114
Energy: 0.982677189324768
Energy: 1.125982788550681
Energy: 0.9521962656959329
Energy: 1.125982596418164
Energy: 0.9826771893223937
Energy: 1.0952755434452912
Energy: 1.0946546318400407
Energy: 0.7918119078123891
Energy: 1.0945127939550625
Energy: 1.0952755434395929
Energy: 1.094654631839566
Energy: 0.7918119078142887
Energy: 0.9523859536186646
Energy: 0.9528210022671039
Energy: 1.0197323541949905
Energy: 1.1287187154293445
Energy: 0.9523859536196144
Energy: 0.9528210022685285
Energy: 1.019732354197365
Energy: 1.0973139688535998
Energy: 1.0944990670880885
Energy: 0.7919917719886146
Energy: 0.8678578071680956
Energy: 1.0973139688545495
Energy: 1.0944990670885633
Energy: 0.7919917719848157
Energy: 1.159824060575377
Energy: 1.0787920542311629
Energy: 0.9101405458811591
Energy: 1.1286743405183308
Energy: 1.1598240605744272
Energy: 1.078792054230688
Energy: 0.9101405458835334
Energy: 1.0965642144028738
Energy: 0.9445898359623203
Energy: 1.2741699286835686
Energy: 0.8558682092704727
Energy: 1.0965642144047734
Energy: 0.9445898359684936
Energy: 1.2741699286826187
Energy: 1.0924420177749101
Energy: 1.0788002524927733
Energy: 1.005537169822824
Energy: 1.1291141739172665
Energy: 1.0924420177739604
Energy: 1.0788002524922986
Energy: 1.0055371698237738
Energy: 1.159634964208773
Energy: 0.9113640469764368
Energy: 1.2561040665548033
Energy: 0.9113743132064025
Energy: 1.1596349642106727
Energy: 0.9113640469764368
Energy: 1.256104066555278
Energy: 1.0925330897896521
Energy: 1.1288847079846525
Energy: 1.0100156397830158
Energy: 1.0789820401559478
Energy: 1.0925330897877528
Energy: 1.1288847079884514
Energy: 1.0100156397849156
Energy: 1.0965291062624274
Energy: 0.8556643494412052
Energy: 1.2740923774233996
Energy: 0.9444069519703386
Energy: 1.0965291062643268
Energy: 0.8556643494407303
Energy: 1.2740923774210255
Energy: 1.159919292021609
Energy: 1.1287854564372783
Energy: 0.8733807356529336
Energy: 1.0789785544426818
Energy: 1.159919292022084
Energy: 1.1287854564363284
Energy: 0.873380735651509
Energy: 1.0974049478779624
Energy: 0.8673587308085524
Energy: 0.7919582749259181
Energy: 1.094465160317278
Energy: 1.0974049478808119
Energy: 0.867358730806178
Energy: 0.7919582749249684
Energy: 0.9524453713037518
Energy: 1.1287280464894527
Energy: 0.945508146721176
Energy: 0.9527564017573434
Energy: 0.9524453713080258
Energy: 1.1287280464847036
Energy: 0.9455081467230755
Energy: 1.0953399575631775
Energy: 1.0945252694523213
Energy: 0.7919075248768449
Energy: 1.094643798582583
Energy: 1.0953399575608032
Energy: 1.094525269456552
Energy: 0.7919075248739957
Energy: 0.9521962656940333
Energy: 1.125982596418639
Energy: 0.9232588849037011
Energy: 1.125982788551156
Energy: 0.9521962656949831
Energy: 1.125982596418164
Energy: 0.923258884904176
Energy: 1.0952755434448165
Energy: 1.0946546318400407
Energy: 0.7918119078123891
Energy: 1.0945127939560122
Energy: 1.095275543439118
Energy: 1.094654631839566
Energy: 0.7918119078142887
Energy: 0.9523859536186646
Energy: 0.9528210022666289
Energy: 1.0319694458686604
Energy: 1.1287187154298195
Energy: 0.9523859536177148
Energy: 0.9528210022690035
Energy: 1.031969445871035
Energy: 1.0973139688535998
Energy: 1.0944990670885633
Energy: 0.791991771987665
Energy: 0.8678578071676205
Energy: 1.0973139688545495
Energy: 1.0944990670885633
Energy: 0.7919917719843408
Energy: 1.1598240605758519
Energy: 1.078792054230688
Energy: 0.8997933797711338
Energy: 1.1286743405183308
Energy: 1.159824060574902
Energy: 1.0787920542302132
Energy: 0.917124215174022
Energy: 1.0965642144033487
Energy: 0.944589835962795
Energy: 1.2741699286835686
Energy: 0.8558682092690912
Energy: 1.0965642144047734
Energy: 0.9445898359684936
Energy: 1.2741699286826187
Energy: 1.092442017775385
Energy: 1.0788002524927733
Energy: 0.9787022970700914
Energy: 1.1291141739172665
Energy: 1.0924420177730108
Energy: 1.0788002524922986
Energy: 1.078739145555401
Energy: 1.159634964208773
Energy: 0.9113640469769118
Energy: 1.2561040665543284
Energy: 0.9113743132054527
Energy: 1.1596349642106727
Energy: 0.9113640469764368
Energy: 1.256104066555278
Energy: 1.0925330897915515
Energy: 1.1288847079851272
Energy: 1.0370206402990425
Energy: 1.0789820401559478
Energy: 1.0925330897853782
Energy: 1.1288847079884514
Energy: 1.0241092725928178
Energy: 1.0965291062624274
Energy: 0.8556643494416801
Energy: 1.2740923774233996
Energy: 0.9444069519703386
Energy: 1.096529106263852
Energy: 0.8556643494402556
Energy: 1.2740923774210255
Energy: 1.1599192920211343
Energy: 1.1287854564372783
Energy: 0.8733807356557828
Energy: 1.0789785544431565
Energy: 1.159919292022084
Energy: 1.1287854564368034
Energy: 0.8733807356538834
Energy: 1.0974049478779624
Energy: 0.8673587308085524
Energy: 0.791958274926393
Energy: 1.0944651603177526
Energy: 1.097404947878912
Energy: 0.8673587308057031
Energy: 0.7919582749254432
Energy: 0.9524453713037518
Energy: 1.1287280464899274
Energy: 0.8329825092651861
Energy: 0.9527564017573434
Energy: 0.9524453713080258
Energy: 1.1287280464847036
Energy: 0.8329825092613872
Energy: 1.0953399575627025
Energy: 1.0945252694527963
Energy: 0.7919075248773197
Energy: 1.094643798582583
Energy: 1.0953399575608032
Energy: 1.094525269456552
Energy: 0.7919075248735207
Energy: 0.9521962656949831
Energy: 1.125982596418164
Energy: 0.9738202023636882
Energy: 1.125982788550681
Energy: 0.9521962656949831
Energy: 1.125982596418164
Energy: 0.9575348715086975
Energy: 1.0952755434452912
Energy: 1.0946546318400407
Energy: 0.7918119078123891
Energy: 1.0945127939564872
Energy: 1.095275543439118
Energy: 1.094654631839566
Energy: 0.7918119078142887

minimum gb energy = 0.7918119078123891 eV
minimum distance =  2.24254671716282 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.1424168254484137
Energy: 1.084486918431237
Energy: 0.9982029377256723
Energy: 1.0845610371791243
Energy: 1.1424168254484137
Energy: 1.084486918431237
Energy: 0.9982029377250957
Energy: 1.0340131678116284
Energy: 0.9516830581164146
Energy: 1.0034995668465885
Energy: 0.9524137470634153
Energy: 1.0340131678139082
Energy: 0.9516830581164146
Energy: 1.0034995668465885
Energy: 1.1424557507701965
Energy: 1.0017454787615494
Energy: 0.8992230924310524
Energy: 1.0141763540012159
Energy: 1.1424557507690434
Energy: 1.0017454787615494
Energy: 0.8992230924327818
Energy: 1.0349135789703259
Energy: 0.951790439451774
Energy: 0.9337428443770456
Energy: 0.9579892289500344
Energy: 1.0349135789703259
Energy: 0.9517904394511976
Energy: 0.9337428443747394
Energy: 1.0269508446100246
Energy: 1.1322619631039061
Energy: 0.9684957399704309
Energy: 1.08530650279936
Energy: 1.0269508446094482
Energy: 1.132261963102753
Energy: 0.9684957399715839
Energy: 1.0353121638172242
Energy: 0.9709163136452412
Energy: 1.1805178920752137
Energy: 1.0014973281656585
Energy: 1.0353121638172242
Energy: 0.9709163136463942
Energy: 1.1805178920769432
Energy: 1.142105008840996
Energy: 1.1321314421072615
Energy: 0.9427484258987417
Energy: 1.0285983451813892
Energy: 1.142105008839843
Energy: 1.132131442106685
Energy: 0.9427484258987417
Energy: 1.0385124507007875
Energy: 0.958910748651687
Energy: 1.1588590588538206
Energy: 1.0013496213385156
Energy: 1.038512450700211
Energy: 0.958910748651687
Energy: 1.15885905885555
Energy: 1.14212416540278
Energy: 1.0018906355017645
Energy: 1.0960875358008748
Energy: 1.1425377307887457
Energy: 1.1421241654010506
Energy: 1.001890635501188
Energy: 1.0960875358014515
Energy: 1.046008084675147
Energy: 0.9694922260795812
Energy: 0.9977455656842966
Energy: 1.0014594840632007
Energy: 1.046008084673994
Energy: 0.9694922260795812
Energy: 0.9977455656825672
Energy: 1.1091373686813488
Energy: 1.045439239438305
Energy: 1.067968913053797
Energy: 0.9954467003589157
Energy: 1.1091373686819253
Energy: 1.0454392394400343
Energy: 1.067968913053797
Energy: 0.9276716522012118
Energy: 1.0365414660789798
Energy: 1.134846862685537
Energy: 0.9132801054182563
Energy: 0.9276716522017885
Energy: 1.0365414660784031
Energy: 1.1348468626838073
Energy: 1.109067996605089
Energy: 0.9947058009080932
Energy: 0.9263286259286238
Energy: 1.0325002698724601
Energy: 1.1090679966056656
Energy: 0.9947058009086697
Energy: 0.9263286259297766
Energy: 0.9265635174271698
Energy: 1.0363900536798518
Energy: 1.0551848658063139
Energy: 1.032054248118231
Energy: 0.9265635174277466
Energy: 1.0363900536792754
Energy: 1.05518486580689
Energy: 1.0304486174282432
Energy: 0.9953798001342256
Energy: 1.0151961826056854
Energy: 1.0315406201303612
Energy: 1.0304486174276668
Energy: 0.9953798001348021
Energy: 1.015196182605109
Energy: 0.9405647049001802
Energy: 1.1219124512508567
Energy: 1.0117105330171592
Energy: 1.0435280476634217
Energy: 0.9405647049007568
Energy: 1.1219124512531629
Energy: 1.0117105330177356
Energy: 1.0954335631681542
Energy: 0.9956509415414045
Energy: 1.1243099238539516
Energy: 1.0317987369340458
Energy: 1.0954335631681542
Energy: 0.9956509415414045
Energy: 1.124309923854528
Energy: 0.9408609608522742
Energy: 0.9834896910822294
Energy: 0.9997435376539708
Energy: 1.090450029199629
Energy: 0.9408609608540036
Energy: 0.9834896910828059
Energy: 0.999743537651665
Energy: 1.1422029120016925
Energy: 0.9957497242632307
Energy: 1.1222491282260845
Energy: 0.9613267797681169
Energy: 1.1422029120028456
Energy: 0.9957497242626542
Energy: 1.1222491282272373
Energy: 0.941889928234634
Energy: 1.0688708228607668
Energy: 1.038748334244249
Energy: 1.0688085926144604
Energy: 0.9418899282329045
Energy: 1.0688708228601902
Energy: 1.0387483342448254
Energy: 1.1421532291288303
Energy: 0.9613199204149045
Energy: 1.1264701414662528
Energy: 0.9957129534437552
Energy: 1.1421532291288303
Energy: 0.9613199204131752
Energy: 1.1264701414668292
Energy: 0.94075898249218
Energy: 1.0902818689487093
Energy: 0.9999130181103247
Energy: 0.9834202111013601
Energy: 0.94075898249218
Energy: 1.0902818689475562
Energy: 0.9999130181114777
Energy: 1.0947736168321487
Energy: 1.031903952466147
Energy: 1.1242651191934885
Energy: 0.9954859449925922
Energy: 1.0947736168315725
Energy: 1.0319039524644176
Energy: 1.1242651191929118
Energy: 0.9406985016673634
Energy: 1.0752529675834288
Energy: 1.0116063444435557
Energy: 1.1220401428807372
Energy: 0.9406985016679398
Energy: 1.0752529675845819
Energy: 1.011606344440673
Energy: 1.0959104745806316
Energy: 1.0324716025556349
Energy: 1.0004494572505043
Energy: 0.9954291778138298
Energy: 1.0959104745812083
Energy: 1.0324716025562115
Energy: 1.0004494572493512

minimum gb energy = 0.8992230924310524 eV
minimum distance =  2.25078836891956 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.9767308538565033
Energy: 1.1269033867180493
Energy: 0.6560988798949657
Energy: 1.1264647434446167
Energy: 0.9767308538597206
Energy: 1.126903386714832
Energy: 0.6560988799014006
Energy: 1.0433572292029005
Energy: 1.0303268834833923
Energy: 1.1099051768517172
Energy: 1.0298785786008513
Energy: 1.0433572292029005
Energy: 1.0303268834962616
Energy: 1.1099051768549344
Energy: 0.9211547774450876
Energy: 0.9725429617277459
Energy: 0.9638900187217606
Energy: 1.03104338284169
Energy: 0.9211547774418702
Energy: 0.9725429617277459
Energy: 0.9638900187217606
Energy: 0.8821398707105574
Energy: 1.0308799015109866
Energy: 1.0055431303164337
Energy: 1.0084707105492203
Energy: 0.8821398707105574
Energy: 1.0308799015109866
Energy: 1.0055431303228684
Energy: 1.0198911441916279
Energy: 0.9442411072294422
Energy: 0.870515995058917
Energy: 0.9276819988645515
Energy: 1.019891144194845
Energy: 0.944241107226225
Energy: 0.8705159950621342
Energy: 0.8822765170361322
Energy: 0.9594370717085752
Energy: 1.0657904871457191
Energy: 0.9463627102204963
Energy: 0.8822765170361322
Energy: 0.9594370717150098
Energy: 1.0657904871489365
Energy: 0.9183347085689364
Energy: 0.9517479283641106
Energy: 0.9042094543610396
Energy: 0.8579505337900913
Energy: 0.9183347085689364
Energy: 0.9517479283673279
Energy: 0.904209454364257
Energy: 0.923477976803602
Energy: 0.9459891255892321
Energy: 1.0957570790932676
Energy: 0.9097898665977953
Energy: 0.9234779768068193
Energy: 0.9459891255827975
Energy: 1.095757079096485
Energy: 0.9187027686429321
Energy: 0.9542217573812116
Energy: 0.9387141675125787
Energy: 0.9458064872714458
Energy: 0.9187027686397147
Energy: 0.954221757374777
Energy: 0.9387141675125787
Energy: 0.8671688608840413
Energy: 0.9444148912742836
Energy: 1.058696793460363
Energy: 0.8852952117000932
Energy: 0.8671688608840413
Energy: 0.9444148912742836
Energy: 1.058696793460363
Energy: 0.9023240442949976
Energy: 1.0423467762131973
Energy: 0.8581100834490044
Energy: 0.9451868588141862
Energy: 0.9023240442917804
Energy: 1.0423467762164147
Energy: 0.858110083445787
Energy: 0.9137884721760465
Energy: 0.9310867140035443
Energy: 1.2960086382004066
Energy: 0.9452875264678179
Energy: 0.9137884721792638
Energy: 0.9310867140067616
Energy: 1.2960086382004066
Energy: 0.93816678974596
Energy: 0.9533911900348079
Energy: 0.9434418231807431
Energy: 0.9170065262840894
Energy: 0.9381667897427425
Energy: 0.9533911900315906
Energy: 0.9434418231839603
Energy: 0.9215765918570561
Energy: 0.90512709809862
Energy: 1.2199933819184925
Energy: 0.9786906844067729
Energy: 0.9215765918538387
Energy: 0.9051270980921854
Energy: 1.2199933819120579
Energy: 0.9378433619149358
Energy: 0.9581905442450603
Energy: 1.1385483306690676
Energy: 0.9374454940387101
Energy: 0.9378433619181532
Energy: 0.9581905442450603
Energy: 1.138548330675502
Energy: 0.9214341693286032
Energy: 0.930162931276488
Energy: 1.0354196354680714
Energy: 0.9461609723610424
Energy: 0.9214341693286032
Energy: 0.9301629312732705
Energy: 1.0354196354648542
Energy: 0.9426762838907539
Energy: 0.9538139707672731
Energy: 1.096588705791614
Energy: 0.9307405340502406
Energy: 0.9426762838939712
Energy: 0.9538139707736495
Energy: 1.0965887057948311
Energy: 0.8811664578049505
Energy: 0.9077745839624024
Energy: 0.9996249229121916
Energy: 0.9503438420687825
Energy: 0.8811664578081677
Energy: 0.907774583959185
Energy: 0.9996249229121916
Energy: 0.9427631484074703
Energy: 0.9199631202747787
Energy: 1.0192458926654022
Energy: 0.9541320129234064
Energy: 0.9427631484171225
Energy: 0.9199631202812133
Energy: 1.0192458926589678
Energy: 0.8923512870159876
Energy: 0.9213851286762273
Energy: 0.8124439730274923
Energy: 0.9056739001608258
Energy: 0.8923512870127701
Energy: 0.9213851286762273
Energy: 0.812443973024275
Energy: 1.0152310556721396
Energy: 0.8822914653535079
Energy: 1.0029176383804561
Energy: 0.982055518715826
Energy: 1.0152310556689226
Energy: 0.8822914653567252
Energy: 1.0029176383804561
Energy: 0.8987933990251931
Energy: 0.8839805834600105
Energy: 0.8880741324165716
Energy: 0.914395749989154
Energy: 0.8987933990284104
Energy: 0.8839805834567932
Energy: 0.8880741324165716
Energy: 1.014520633716247
Energy: 0.8822914738534926
Energy: 0.9435276455580065
Energy: 1.035300433819918
Energy: 1.014520633716247
Energy: 0.8822914738534926
Energy: 0.9435276455612239
Energy: 0.9491434382289615
Energy: 0.9659949228363726
Energy: 0.9107833099039597
Energy: 0.9110623542012408
Energy: 0.9491434382321791
Energy: 0.96599492283959
Energy: 0.9107833099039597
Energy: 1.0146266970532198
Energy: 1.0307512643581977
Energy: 0.9825104687405662
Energy: 1.0887980955822552
Energy: 1.0146266970596545
Energy: 1.0307512643549805
Energy: 0.9825104687373487
Energy: 0.9553665481166357
Energy: 0.9920615670444409
Energy: 0.9633472774825491
Energy: 0.899980848245953
Energy: 0.9553665481134185
Energy: 0.9920615670412237
Energy: 0.9633472774825491
Energy: 1.1492795586035163
Energy: 1.034287714227964
Energy: 1.0398036126772714
Energy: 1.0886931236975865
Energy: 1.1492795586035163
Energy: 1.034287714227964
Energy: 1.0398036126804886
Energy: 0.9699475056288768
Energy: 1.091459502484397
Energy: 1.0611914425589892
Energy: 0.9716743375791853
Energy: 0.9699475056288768
Energy: 1.0914595024876144
Energy: 1.0611914425622067
Energy: 1.1494624073870345
Energy: 1.0342484969571788
Energy: 1.0888928541937364
Energy: 1.0886333748063504
Energy: 1.1494624073870345
Energy: 1.0342484969571788
Energy: 1.088892854200171
Energy: 0.9139658316345943
Energy: 0.9927652689813334
Energy: 1.045053160152477
Energy: 0.9409975860628897
Energy: 0.913965831631377
Energy: 0.9927652689813334
Energy: 1.045053160152477
Energy: 0.9946274006637487
Energy: 1.0341930078753667
Energy: 0.9631173778571915
Energy: 1.0898299038908652
Energy: 0.9946274006637487
Energy: 1.0341930078753667
Energy: 0.9631173778411048
Energy: 0.9293175323397642
Energy: 0.9229873298334514
Energy: 0.9447289978747091
Energy: 0.932390195663444
Energy: 0.9293175323397642
Energy: 0.9229873298302341
Energy: 0.9447289978779265
Energy: 0.994265622453276
Energy: 0.9488703147579621
Energy: 1.1047397250325255
Energy: 1.0539497185950997
Energy: 0.9942656224501173
Energy: 0.9488703147515275
Energy: 1.1047397250325255
Energy: 1.027429738335343
Energy: 0.9223922878686066
Energy: 0.9049020225015963
Energy: 0.95955982807643
Energy: 1.027429738335343
Energy: 0.9223922878653893
Energy: 0.9049020225015963
Energy: 1.0616705657835876
Energy: 0.9240493313750724
Energy: 1.0951096820223314
Energy: 1.04614977648702
Energy: 1.0616705657835876
Energy: 0.9240493313782896
Energy: 1.0951096820191144
Energy: 1.0277572467978955
Energy: 0.9332301809936553
Energy: 0.9420919569041656
Energy: 0.9327416726197503
Energy: 1.0277572467978955
Energy: 0.9332301809936553
Energy: 0.9420919569041656
Energy: 0.9835365423547539
Energy: 0.9447924279040397
Energy: 1.0034180584949164
Energy: 0.968871370869257
Energy: 0.9835365423547539
Energy: 0.9447924278976051
Energy: 1.0034180584981336
Energy: 0.9338517619185768
Energy: 0.9492096314195021
Energy: 0.9870706441541274
Energy: 0.9312521984592589
Energy: 0.933851761912142
Energy: 0.949209631425937
Energy: 0.987070644160562
Energy: 0.9835308519556497
Energy: 0.976847547147258
Energy: 1.2148192973586929
Energy: 1.0229381137226032
Energy: 0.9835308519588669
Energy: 0.9768475471504752
Energy: 1.2148192973586929
Energy: 0.930496856168145
Energy: 0.9084487455830548
Energy: 0.9099048224030084
Energy: 0.958730859374255
Energy: 0.9304968561713622
Energy: 0.9084487455894895
Energy: 0.9099048224061671
Energy: 1.0462593881439322
Energy: 1.031702195333242
Energy: 1.0471268533150146
Energy: 1.0230792009777778
Energy: 1.0462593881407147
Energy: 1.031702195326807
Energy: 1.0471268533214493
Energy: 0.9294696435614407
Energy: 0.96173863129855
Energy: 1.1174642188169823
Energy: 0.9718429880222422
Energy: 0.9294696435614407
Energy: 0.9617386313017674
Energy: 1.1174642188266344
Energy: 0.9458488231482973
Energy: 1.031754526869901
Energy: 0.9214711053620899
Energy: 1.0172346273671107
Energy: 0.9458488231515146
Energy: 1.0317545268731185
Energy: 0.9214711053974806
Energy: 1.0086680110388004
Energy: 0.9519749365187696
Energy: 1.1136860266733817
Energy: 0.9174469274918488
Energy: 1.0086680110420176
Energy: 0.9519749365187696
Energy: 1.1136860266733817
Energy: 0.8812094693815691
Energy: 1.0315608391890234
Energy: 1.0133644212244994
Energy: 0.9764332066998839
Energy: 0.8812094693815691
Energy: 1.0315608391890234
Energy: 1.013364421221282

minimum gb energy = 0.6560988798949657 eV
minimum distance =  2.17197712485552 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.9595329659735097
Energy: 0.6089118804355371
Energy: 1.3227165145820161
Energy: 0.6089118804362625
Energy: 0.9595329659735097
Energy: 0.6089118804355371
Energy: 1.3227165145776643
Energy: 0.9595329659713333
Energy: 0.6089118804355371
Energy: 0.9029638535653135
Energy: 0.6089118804340865
Energy: 0.959532965974235
Energy: 0.6089118804348118
Energy: 0.9029638542048107
Energy: 0.959532965974235
Energy: 0.6089118804326357
Energy: 0.8837717160720171
Energy: 0.6089118804340865
Energy: 0.9595329659720588
Energy: 0.6089118804362625
Energy: 0.8837717228050214
Energy: 0.959532965974235
Energy: 0.6089118804355371
Energy: 0.9496486369168994
Energy: 0.6089118804362625
Energy: 0.9595329659735097
Energy: 0.6089118804355371
Energy: 0.9496485959360556
Energy: 0.9595329659713333
Energy: 0.6089118804355371
Energy: 1.0561405166229532
Energy: 0.6089118804340865
Energy: 0.9595329659749604
Energy: 0.6089118804348118
Energy: 1.0561406356624248
Energy: 0.959532965974235
Energy: 0.6089118804333611
Energy: 0.8451849856021031
Energy: 0.6089118804333611
Energy: 0.9595329659720588
Energy: 0.6089118804362625
Energy: 0.845185008518625
Energy: 0.9595329659735097
Energy: 0.6089118804355371
Energy: 1.245155943011865
Energy: 0.6089118804362625
Energy: 0.9595329659735097
Energy: 0.6089118804355371
Energy: 1.2451559430111394
Energy: 0.9595329659713333
Energy: 0.6089118804355371
Energy: 1.3015238303878898
Energy: 0.6089118804340865
Energy: 0.9595329659749604
Energy: 0.6089118804348118
Energy: 1.3015238304074424
Energy: 0.959532965974235
Energy: 0.6089118804333611
Energy: 1.1928889130257279
Energy: 0.6089118804340865
Energy: 0.9595329659720588
Energy: 0.608911880436988
Energy: 1.1928889130250027
Energy: 0.959532965974235
Energy: 0.6089118804355371
Energy: 1.1376249459023327
Energy: 0.6089118804362625
Energy: 0.9595329659735097
Energy: 0.6089118804362625
Energy: 1.1376249459001566
Energy: 0.9595329659720588
Energy: 0.6089118804355371
Energy: 1.1229315591665288
Energy: 0.6089118804348118
Energy: 0.959532965974235
Energy: 0.6089118804340865
Energy: 1.1229315591658033
Energy: 0.959532965974235
Energy: 0.6089118804326357
Energy: 0.914942877989429
Energy: 0.6089118804333611
Energy: 0.9595329659713333
Energy: 0.608911880436988
Energy: 0.9148975642057238
Energy: 0.9595329659735097
Energy: 0.6089118804355371
Energy: 0.914908352234725
Energy: 0.6089118804362625
Energy: 0.9595329659735097
Energy: 0.6089118804348118
Energy: 0.9149948030147429
Energy: 0.9595329659720588
Energy: 0.6089118804355371
Energy: 0.9149355124893431
Energy: 0.6089118804340865
Energy: 0.959532965974235
Energy: 0.6089118804340865
Energy: 0.9149358467036337
Energy: 0.959532965974235
Energy: 0.6089118804333611
Energy: 0.9149940243823691
Energy: 0.6089118804340865
Energy: 0.9595329659713333
Energy: 0.6089118804362625
Energy: 0.9149958849539227
Energy: 0.9595329659735097
Energy: 0.6089118804355371
Energy: 0.9149146743924474
Energy: 0.6089118804362625
Energy: 0.9595329659735097
Energy: 0.6089118804355371
Energy: 0.9149362352378337
Energy: 0.9595329659720588
Energy: 0.6089118804355371
Energy: 0.9149674143811298
Energy: 0.6089118804340865
Energy: 0.959532965974235
Energy: 0.6089118804340865
Energy: 0.9150092318841635
Energy: 0.959532965974235
Energy: 0.6089118804326357
Energy: 0.9149579354558028
Energy: 0.6089118804340865
Energy: 0.9595329659720588
Energy: 0.6089118804362625
Energy: 0.914914866469463
Energy: 0.9595329659735097
Energy: 0.6089118804348118
Energy: 0.9149204212892005
Energy: 0.6089118804362625
Energy: 0.9595329659727841
Energy: 0.6089118804355371
Energy: 0.914933487695718
Energy: 0.9595329659720588
Energy: 0.6089118804355371
Energy: 0.9149428536227865
Energy: 0.6089118804340865
Energy: 0.959532965974235
Energy: 0.6089118804348118
Energy: 0.9149603609089837

minimum gb energy = 0.6089118804326357 eV
minimum distance =  2.25794671223268 Angstroms
sigma value = 23