Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.045353233814239
cohesive_energy=3.3603034700051637
mass=26.981538
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: 0.010378694586142722
Energy: 0.010942503329609153
Energy: 0.6984494775029497
Energy: 0.010942503329609153
Energy: 0.010942503329609153
Energy: 0.526833671291536
Energy: 0.010942503329609153
Energy: 0.5268336712910352
Energy: 0.6984494775034507
Energy: 0.010942503329609153
Energy: 0.010378694586142722
Energy: 0.010942503329609153
Energy: 0.010942503329609153
Energy: 0.5268336712910352
Energy: 0.010942503329609153
Energy: 0.5268336712910352

minimum gb energy = 0.010378694586142722 eV
minimum distance =  2.69334992572101 Angstroms
sigma value = 1


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

Energy: 0.5564544084888762
Energy: 0.5556039825379695
Energy: 0.5786954376294591
Energy: 0.5556039825373621
Energy: 0.547669817902961
Energy: 0.5608602322139696
Energy: 0.549973143778254
Energy: 0.5608602322133622
Energy: 0.5354742111341859
Energy: 0.5485918899910858
Energy: 0.5435587255459009
Energy: 0.5485918899910858
Energy: 0.5451320612598813
Energy: 0.5615899589494977
Energy: 0.5340084062025064
Energy: 0.5615899589501052
Energy: 0.5458020820644203
Energy: 0.556470878963772
Energy: 0.5466092070247248
Energy: 0.556470878963772
Energy: 0.5280068293705464
Energy: 0.6199500377373024
Energy: 0.5217462801950111
Energy: 0.6199500377373024
Energy: 0.5628224112965103
Energy: 0.548232472369879
Energy: 0.5290893677997827
Energy: 0.5482324723704864
Energy: 0.5159171323216486
Energy: 0.5580564629944461
Energy: 0.5225583855000028
Energy: 0.5580564629944461
Energy: 0.5321489581584419
Energy: 0.6460925735640244
Energy: 0.548509557046374
Energy: 0.646092573563417
Energy: 0.5261018834205881
Energy: 0.555779911835294
Energy: 0.515414175344876
Energy: 0.5557799118346866
Energy: 0.548126454317747
Energy: 0.5587610346385256
Energy: 0.5321650762324773
Energy: 0.5587610346385256
Energy: 0.5707602331647019
Energy: 0.5564242691589564
Energy: 0.5304723664657596
Energy: 0.5564242691589564
Energy: 0.5543664698556152
Energy: 0.5467107506721992
Energy: 0.5653276733949651
Energy: 0.5467107506721992
Energy: 0.5401667385626701
Energy: 0.5541872869737797
Energy: 0.5311873784183527
Energy: 0.5541872869731723
Energy: 0.5476647664793964
Energy: 0.5545127336247181
Energy: 0.5537491014643918
Energy: 0.5545127336253255
Energy: 0.5444315358118156
Energy: 0.5543893486514035
Energy: 0.5525501705835894
Energy: 0.5543893486514035
Energy: 0.5425230766905383
Energy: 0.5486235244602432
Energy: 0.5191566900733006
Energy: 0.5486235244602432
Energy: 0.5501841471236665
Energy: 0.5524579533518069
Energy: 0.5619040055200056
Energy: 0.5524579533518069
Energy: 0.5559035499386702
Energy: 0.568279344457751
Energy: 0.5311877063829109
Energy: 0.568279344457751
Energy: 0.5596540565040815
Energy: 0.7094394127098903
Energy: 0.5330906668555483
Energy: 0.7094394127092828
Energy: 0.5297103776917532
Energy: 0.5485593313684868
Energy: 0.5190057201908819
Energy: 0.5485593313684868
Energy: 0.5320403053477971
Energy: 0.6244232768741091
Energy: 0.5488871569940182
Energy: 0.6244232768741091
Energy: 0.5439877284744711
Energy: 0.5593454987101265
Energy: 0.5249573298571286
Energy: 0.5593454987095191
Energy: 0.5340726971461329
Energy: 0.5473459966423581
Energy: 0.5279500786354866
Energy: 0.5473459966429656
Energy: 0.535137660402662
Energy: 0.6132484035917369
Energy: 0.5394369471608604
Energy: 0.6132484035917369
Energy: 0.5357482318671448
Energy: 0.558059230477117
Energy: 0.5908101425078558
Energy: 0.558059230477117
Energy: 0.5441516774609966
Energy: 0.6107696559663847
Energy: 0.5320785871505501
Energy: 0.6107696559663847
Energy: 0.5850095478193389
Energy: 0.5469911500056682
Energy: 0.5449962760340742
Energy: 0.5469911500056682
Energy: 0.5481949261936132
Energy: 0.5558585602945587
Energy: 0.5417164328224194
Energy: 0.5558585602939513
Energy: 0.5544810551349518
Energy: 0.5549780470713191
Energy: 0.5575306573862518
Energy: 0.5549780470713191
Energy: 0.546514950602038
Energy: 0.5528079579806738
Energy: 0.5490824590822433
Energy: 0.5528079579806738
Energy: 0.5404290110725045
Energy: 0.550720637113315
Energy: 0.5379717090267497
Energy: 0.550720637113315
Energy: 0.5490157560544482
Energy: 0.5646811019681727
Energy: 0.5333933554894053
Energy: 0.5646811019681727

minimum gb energy = 0.515414175344876 eV
minimum distance =  2.58246168909185 Angstroms
sigma value = 1


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

Energy: 0.5813060942026619
Energy: 0.5961802548186341
Energy: 0.5913923964313
Energy: 0.5961802548186341
Energy: 0.5612203072832006
Energy: 0.5854575326652532
Energy: 0.5696735655603099
Energy: 0.585457532663868
Energy: 0.5574970072004863
Energy: 0.59814277228683
Energy: 0.580974144126253
Energy: 0.59814277228683
Energy: 0.5470394581434334
Energy: 0.6110262622504967
Energy: 0.5491693637860809
Energy: 0.6110262622498042
Energy: 0.5473990696240995
Energy: 0.58353209863343
Energy: 0.5810948445662755
Energy: 0.5835320986341226
Energy: 0.604049873357572
Energy: 0.5862676201788896
Energy: 0.554951306188567
Energy: 0.586267620178197
Energy: 0.5615448553997908
Energy: 0.6213108243370979
Energy: 0.554513449772829
Energy: 0.6213108243391756
Energy: 0.5377501863268519
Energy: 0.598244067618724
Energy: 0.5477269724449034
Energy: 0.5982440676201092
Energy: 0.5552064853809601
Energy: 0.6793351412397881
Energy: 0.5390232157762092
Energy: 0.6793351412390957
Energy: 0.5519804133073106
Energy: 0.5978444681234766
Energy: 0.5739182773001876
Energy: 0.5978444681248616
Energy: 0.5614820555420059
Energy: 0.5786341837663702
Energy: 0.5726853918822515
Energy: 0.5786341837656775
Energy: 0.5423862237018583
Energy: 0.5905872287656866
Energy: 0.5781754846288009
Energy: 0.5905872287649939
Energy: 0.5870285057227137
Energy: 0.5832934848277365
Energy: 0.5662260406211868
Energy: 0.5832934848263513
Energy: 0.5928868001412178
Energy: 0.5833030703261594
Energy: 0.5645416726863166
Energy: 0.5833030703268519
Energy: 0.542280916505146
Energy: 0.5904577397532169
Energy: 0.5680112890527476
Energy: 0.5904577397518318
Energy: 0.561540078351565
Energy: 0.5788063319921
Energy: 0.570004915278575
Energy: 0.5788063319907147
Energy: 0.5519587487979122
Energy: 0.5978907189825655
Energy: 0.5464559844195453
Energy: 0.5978907189825655
Energy: 0.5472359711434516
Energy: 0.6680362301711348
Energy: 0.5386371469019098
Energy: 0.6680362301607461
Energy: 0.5377879577010843
Energy: 0.5955507235727765
Energy: 0.54932132946036
Energy: 0.595550723573469
Energy: 0.5615181043191259
Energy: 0.6212296584998155
Energy: 0.5518230716205624
Energy: 0.6212296584991228
Energy: 0.6061051397588126
Energy: 0.5862886390793933
Energy: 0.5443128204859903
Energy: 0.5862886390787007
Energy: 0.5472018950809241
Energy: 0.5843182437136116
Energy: 0.5481996533653833
Energy: 0.5843182437143042
Energy: 0.5474274043261212
Energy: 0.6154905261524276
Energy: 0.5490796941488355
Energy: 0.6154905261517352
Energy: 0.5573307741078767
Energy: 0.5976552872814985
Energy: 0.5698144522427214
Energy: 0.5976552872814985
Energy: 0.5616174342877673
Energy: 0.5854941447375034
Energy: 0.569596151128327
Energy: 0.5854941447381958
Energy: 0.5813060942026619
Energy: 0.5961802548186341
Energy: 0.5923158151959843
Energy: 0.5961802548186341
Energy: 0.5612203072832006
Energy: 0.5854575326652532
Energy: 0.5696735655603099
Energy: 0.585457532663868
Energy: 0.5574970072004863
Energy: 0.59814277228683
Energy: 0.5648746571499162
Energy: 0.59814277228683
Energy: 0.5470394581441259
Energy: 0.6110262622498042
Energy: 0.5518774068709553
Energy: 0.6110262622511894

minimum gb energy = 0.5377501863268519 eV
minimum distance =  2.5311178624352 Angstroms
sigma value = 25


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

Energy: 0.594562265269001
Energy: 0.6239498743829457
Energy: 0.6287182157876532
Energy: 0.6239498743829457
Energy: 0.5942919641606733
Energy: 0.6271566591289408
Energy: 0.5769160814170857
Energy: 0.6271566591289408
Energy: 0.559439505398392
Energy: 0.6446533563198272
Energy: 0.577524718137013
Energy: 0.6446533563198272
Energy: 0.5752301405636325
Energy: 0.6356230893751983
Energy: 0.5710442916441577
Energy: 0.6356230893751983
Energy: 0.5723712435415914
Energy: 0.6237881630305867
Energy: 0.5719967889411278
Energy: 0.6237881630305867
Energy: 0.6391526542418487
Energy: 0.6435892826524521
Energy: 0.5824222044953751
Energy: 0.6435892826524521
Energy: 0.5703494450591644
Energy: 0.6629883546950281
Energy: 0.5835908185840656
Energy: 0.6629883546942229
Energy: 0.6570476212638695
Energy: 0.6263277278195466
Energy: 0.5650894931166524
Energy: 0.6263277278195466
Energy: 0.5841553579089719
Energy: 0.6011473503819407
Energy: 0.5937928399571889
Energy: 0.6011473503827458
Energy: 0.5835788299721415
Energy: 0.6458893641866383
Energy: 0.5656808977106587
Energy: 0.6458893641866383
Energy: 0.5917453287490857
Energy: 0.624061638825103
Energy: 0.5710440933467279
Energy: 0.624061638825103
Energy: 0.5676547752506621
Energy: 0.623894913352184
Energy: 0.591366733148648
Energy: 0.623894913352184
Energy: 0.5750365527678387
Energy: 0.6401664286845704
Energy: 0.5718179320974697
Energy: 0.6401664286845704
Energy: 0.5875575884059026
Energy: 0.6387494631477287
Energy: 0.5723731085658301
Energy: 0.6387494631477287
Energy: 0.573533973971991
Energy: 0.6260805806481097
Energy: 0.564053144164903
Energy: 0.6260805806481097
Energy: 0.5969543034886154
Energy: 0.5789957484426236
Energy: 0.5712163099557389
Energy: 0.5780255052310211
Energy: 0.5615302309706395
Energy: 0.6446746883210905
Energy: 0.5624885309339227
Energy: 0.6446746883210905
Energy: 0.5709879333611839
Energy: 0.6090778026899275
Energy: 0.590475116366559
Energy: 0.6090778026899275
Energy: 0.5676464231183364
Energy: 0.6410349742585174
Energy: 0.5787152800785146
Energy: 0.6410349742585174
Energy: 0.5843930078503871
Energy: 0.6433372742024963
Energy: 0.5742744953803075
Energy: 0.6433372742024963
Energy: 0.5828344743166205
Energy: 0.6231931069361584
Energy: 0.5760479460119128
Energy: 0.6231931069361584
Energy: 0.5951646512869246
Energy: 0.6250727642716809
Energy: 0.6187255810946184
Energy: 0.6250727642716809
Energy: 0.5725097400896324
Energy: 0.6168605535014196
Energy: 0.5795883017814629
Energy: 0.6168605535408521
Energy: 0.6583399795366384
Energy: 0.6444075205686847
Energy: 0.5835927809741092
Energy: 0.6444075205686847
Energy: 0.5967267515676535
Energy: 0.6210479612057005
Energy: 0.5713087563082938
Energy: 0.6210479612057005

minimum gb energy = 0.559439505398392 eV
minimum distance =  2.52791080962167 Angstroms
sigma value = 9


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

Energy: 0.6274126639467086
Energy: 0.6912376595102204
Energy: 0.6882857974309565
Energy: 0.6912376595102204
Energy: 0.6150053134529861
Energy: 0.6564137961746306
Energy: 0.5956001978326381
Energy: 0.6564137961746306
Energy: 0.5837408894200734
Energy: 0.6750316611400193
Energy: 0.6058638518401048
Energy: 0.6750316611409797
Energy: 0.6126970486257687
Energy: 0.6940122059896944
Energy: 0.6035563613992208
Energy: 0.6940122059906547
Energy: 0.6202487762363442
Energy: 0.6358971547554206
Energy: 0.6474540040968864
Energy: 0.6358971547563812
Energy: 0.5892260382962936
Energy: 0.6787495391554482
Energy: 0.6585438509031809
Energy: 0.6787495391554482
Energy: 0.5886027341574499
Energy: 0.7569356346721171
Energy: 0.5912580288436285
Energy: 0.7569356346721171
Energy: 0.6179823408501627
Energy: 0.678555743370165
Energy: 0.6038211511776108
Energy: 0.6785557433711256
Energy: 0.5876003481674086
Energy: 0.637448295986581
Energy: 0.6157838783201066
Energy: 0.6374482959875415
Energy: 0.5904300718686671
Energy: 0.688836443180319
Energy: 0.5941452166317428
Energy: 0.6888364431793585
Energy: 0.5957292252990358
Energy: 0.6762608922902367
Energy: 0.6085952988230995
Energy: 0.6762608922902367
Energy: 0.650407544667909
Energy: 0.6520315030545425
Energy: 0.6038255887942494
Energy: 0.6520315030545425
Energy: 0.5901941282920173
Energy: 0.6747051118462204
Energy: 0.5987753688944384
Energy: 0.6747051118462204
Energy: 0.6176947783329814
Energy: 0.657965024825502
Energy: 0.5894309046329873
Energy: 0.6579650248408474
Energy: 0.5900791453192408
Energy: 0.6711751776092367
Energy: 0.5901473691702154
Energy: 0.6711751776092367
Energy: 0.6725904201959626
Energy: 0.6838979943947333
Energy: 0.591646213614433
Energy: 0.6838979943947333
Energy: 0.616294563361821
Energy: 0.6651959796303587
Energy: 0.599462807107376
Energy: 0.6651959796303587
Energy: 0.6093592911433536
Energy: 0.6868578691999492
Energy: 0.6718385740615801
Energy: 0.6868578692009095
Energy: 0.610438027944258
Energy: 0.6380014521598557
Energy: 0.5867173447311435
Energy: 0.6380014521598557
Energy: 0.640274122824035
Energy: 0.6740982581781294
Energy: 0.6037697846417591
Energy: 0.6740982581781294
Energy: 0.5880680791028464
Energy: 0.6868837182749449
Energy: 0.603702642853186
Energy: 0.6868837182749449

minimum gb energy = 0.5837408894200734 eV
minimum distance =  2.52796349369045 Angstroms
sigma value = 25


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

Energy: 0.6046168762826362
Energy: 0.7036703408099546
Energy: 0.7041578271076506
Energy: 0.7036703408087939
Energy: 0.5915050158225302
Energy: 0.6207206101479182
Energy: 0.5880855779398527
Energy: 0.6207206101479182
Energy: 0.5810076477451785
Energy: 0.7211686123276195
Energy: 0.5886624025888513
Energy: 0.7211686123276195
Energy: 0.6003216957442654
Energy: 0.6562824933311285
Energy: 0.6649438150141314
Energy: 0.6562824933311285
Energy: 0.6645049150700794
Energy: 0.5922257725304904
Energy: 0.614923770840869
Energy: 0.5922257725304904
Energy: 0.5822586070445064
Energy: 0.724928778526639
Energy: 0.7698596449078432
Energy: 0.724928778526639
Energy: 0.6016017009282949
Energy: 0.6509290782478544
Energy: 0.5966650243690993
Energy: 0.6509290782478544
Energy: 0.6539856514833079
Energy: 0.7055379001748932
Energy: 0.6000947207070297
Energy: 0.7055379001748932
Energy: 0.5887004997387938
Energy: 0.5997561514172743
Energy: 0.5958421496089049
Energy: 0.5997561514172743
Energy: 0.6753788517620626
Energy: 0.676616651694898
Energy: 0.5887388268422076
Energy: 0.676616651694898
Energy: 0.6042512773923118
Energy: 0.7024620712187637
Energy: 0.7317069048255471
Energy: 0.7024620712187637
Energy: 0.587913485165951
Energy: 0.6108840733130017
Energy: 0.6766665857139094
Energy: 0.6108840733130017
Energy: 0.6764722419927331
Energy: 0.6752454861632068
Energy: 0.5807072658936839
Energy: 0.6752454861632068
Energy: 0.5809362555979138
Energy: 0.6599878836982801
Energy: 0.6006624158815661
Energy: 0.6599878836982801
Energy: 0.6001659428501609
Energy: 0.70337715923644
Energy: 0.653912670802107
Energy: 0.70337715923644
Energy: 0.5919971476400088
Energy: 0.6808736637008022
Energy: 0.5886782753004423
Energy: 0.6808736637008022
Energy: 0.588153668863288
Energy: 0.6221701930892515
Energy: 0.676128876404585
Energy: 0.6221701930892515

minimum gb energy = 0.5807072658936839 eV
minimum distance =  2.60419699952785 Angstroms
sigma value = 17


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

Energy: 0.6520686995758266
Energy: 0.6811939249651333
Energy: 0.7417871667686563
Energy: 0.6811939249644605
Energy: 0.6744395895222025
Energy: 0.639064156286741
Energy: 0.594921832331483
Energy: 0.6390641562874138
Energy: 0.7204174617613429
Energy: 0.6722417195606873
Energy: 0.6004221574573347
Energy: 0.6722417195606873
Energy: 0.6379226186301085
Energy: 0.7142343556098065
Energy: 0.6419152711509049
Energy: 0.7142343556098065
Energy: 0.6927555600315249
Energy: 0.671627229529336
Energy: 0.6165833860987785
Energy: 0.671627229529336
Energy: 0.6009332193410232
Energy: 0.6485773745727548
Energy: 0.6693223750733086
Energy: 0.6485773745720819
Energy: 0.5972713425592244
Energy: 0.6491220157828609
Energy: 0.6170401257923435
Energy: 0.6491220157828609
Energy: 0.7134346542303666
Energy: 0.7222576429718485
Energy: 0.6030546306267852
Energy: 0.7222576429711759
Energy: 0.6006095564957001
Energy: 0.6997874563444056
Energy: 0.6842821814194804
Energy: 0.6997874563444056
Energy: 0.730247271056635
Energy: 0.6388523605801945
Energy: 0.598085093144576
Energy: 0.638852360578849
Energy: 0.5961248565751219
Energy: 0.6534643471339542
Energy: 0.7847610663649881
Energy: 0.6534643471352997
Energy: 0.60115709496475
Energy: 0.6467278891641705
Energy: 0.6192548804758049
Energy: 0.6467278891641705
Energy: 0.7838305524186674
Energy: 0.6861221958239927
Energy: 0.6449335746002987
Energy: 0.6861221958239927
Energy: 0.5979962629708095
Energy: 0.7036808163448638
Energy: 0.674782894714301
Energy: 0.7036808163448638
Energy: 0.6446098861962078
Energy: 0.649645202147426
Energy: 0.603264284237424
Energy: 0.649645202147426
Energy: 0.6914240775298051
Energy: 0.6529573491676393
Energy: 0.678411537058096
Energy: 0.6529573491172171
Energy: 0.6162952289028226
Energy: 0.6698817149436674
Energy: 0.7215651819219396
Energy: 0.6698817149436674
Energy: 0.7002969589777125
Energy: 0.6514121541196702
Energy: 0.6007142306877744
Energy: 0.6514121541183249
Energy: 0.6333635529182532
Energy: 0.6732429943679724
Energy: 0.6435844808927891
Energy: 0.6732429943679724
Energy: 0.6184946393439525
Energy: 0.7131059817450719
Energy: 0.6343662852808761
Energy: 0.7131059817450719
Energy: 0.6435942625241161
Energy: 0.6833585428346565
Energy: 0.6748682769340288
Energy: 0.6833585428339839
Energy: 0.6171655117915987
Energy: 0.6815517584639004
Energy: 0.7336637327848109
Energy: 0.6815517584645732
Energy: 0.6831798039856514
Energy: 0.708017850545464
Energy: 0.596965748943961
Energy: 0.708017850545464
Energy: 0.6224751687098307
Energy: 0.6691472576787387
Energy: 0.6705063250865305
Energy: 0.6691472576787387
Energy: 0.6336917343808743
Energy: 0.6744930028218348
Energy: 0.6711963546001478
Energy: 0.6744930028211621
Energy: 0.6963431797197442
Energy: 0.7067732654168294
Energy: 0.5947620630887497
Energy: 0.7067732654168294
Energy: 0.6042377054668866
Energy: 0.6818371750398569
Energy: 0.7423428758372195
Energy: 0.6818371750398569
Energy: 0.6737401396312204
Energy: 0.6482852761734703
Energy: 0.6755781584359681
Energy: 0.6482852761727976
Energy: 0.7156819581752825
Energy: 0.7115120237872175
Energy: 0.5965308403696441
Energy: 0.7115120237865447
Energy: 0.6026208651747339
Energy: 0.6719259222741452
Energy: 0.6989136648056826
Energy: 0.6719259222741452

minimum gb energy = 0.5947620630887497 eV
minimum distance =  2.46641448107054 Angstroms
sigma value = 53


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

Energy: 0.55047999922774
Energy: 0.5506823415029094
Energy: 0.7557572241109811
Energy: 0.550682341504458
Energy: 0.6570133216194662
Energy: 0.6056867731183702
Energy: 0.671231335642611
Energy: 0.6056867731183702
Energy: 0.5607809525674389
Energy: 0.5514353435803607
Energy: 0.6281926703609554
Energy: 0.5514353435803607
Energy: 0.5608141359851884
Energy: 0.5513784488719311
Energy: 0.6367355729443475
Energy: 0.5513784488719311
Energy: 0.6571229862489025
Energy: 0.605659610707285
Energy: 0.6561221732456669
Energy: 0.6056596107088337
Energy: 0.5504799992261913
Energy: 0.5506823415029094
Energy: 0.7557572241109811
Energy: 0.5506823415029094
Energy: 0.6570133216194662
Energy: 0.6056867731183702
Energy: 0.6394713053672629
Energy: 0.6056867731183702
Energy: 0.5607761901439178
Energy: 0.5514353435803607
Energy: 0.6281926703609554
Energy: 0.5514353435803607
Energy: 0.5608148737313492
Energy: 0.5513784488719311
Energy: 0.6367355729443475
Energy: 0.5513784488719311
Energy: 0.6571229862489025
Energy: 0.605659610707285
Energy: 0.6732139988471251
Energy: 0.6056596107088337
Energy: 0.5504799992261913
Energy: 0.5506823415029094
Energy: 0.7789321319277086
Energy: 0.550682341504458
Energy: 0.6570133216194662
Energy: 0.6056867731183702
Energy: 0.6556194245775886
Energy: 0.6056867731183702
Energy: 0.5607756630050104
Energy: 0.5514353435803607
Energy: 0.6526453003440946
Energy: 0.5514353435803607

minimum gb energy = 0.5504799992261913 eV
minimum distance =  2.59414184453363 Angstroms
sigma value = 9


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

Energy: 0.6147727320882608
Energy: 0.7254260001124331
Energy: 0.7845546428843324
Energy: 0.7254260001118596
Energy: 0.7402030009946244
Energy: 0.6510455823933956
Energy: 0.6322526163767334
Energy: 0.6510455823928223
Energy: 0.6255577594944233
Energy: 0.6092460606661252
Energy: 0.6400477516967976
Energy: 0.609246060665552
Energy: 0.7065879651025825
Energy: 0.7226935960756128
Energy: 0.6324353068590951
Energy: 0.7226935960756128
Energy: 0.7500262919823054
Energy: 0.6336994848180739
Energy: 0.623260015920345
Energy: 0.6336994848186471
Energy: 0.608753465202959
Energy: 0.6084874067674432
Energy: 0.8042009496586162
Energy: 0.6084874067674432
Energy: 0.7983334682225679
Energy: 0.6313545997469537
Energy: 0.6346156315981679
Energy: 0.6313545997481
Energy: 0.6341592749624392
Energy: 0.7223235251527821
Energy: 0.7074975643672123
Energy: 0.722323525152209
Energy: 0.7143850495204527
Energy: 0.7292907092188301
Energy: 0.6166999700727411
Energy: 0.7292907092194033
Energy: 0.6256200313694903
Energy: 0.6393397456659599
Energy: 0.6300483953797487
Energy: 0.6393397456659599
Energy: 0.6346204648352152
Energy: 0.7206865163507732
Energy: 0.7958807410245065
Energy: 0.7206865163502
Energy: 0.7230474440229859
Energy: 0.7580657168155468
Energy: 0.6375612585481512
Energy: 0.7580657168144004
Energy: 0.631881209888172
Energy: 0.7275252885359664
Energy: 0.7468525193953564
Energy: 0.7275252885353932
Energy: 0.7135974825497383
Energy: 0.7201306108664364
Energy: 0.6205068659152886
Energy: 0.7201306108664364
Energy: 0.6447617188798309
Energy: 0.6847660328955413
Energy: 0.6998774008114058
Energy: 0.6847660328955413
Energy: 0.6328988729331548
Energy: 0.7236850119290681
Energy: 0.708081476030597
Energy: 0.723685011928495
Energy: 0.6762937318604002
Energy: 0.6846359620424618
Energy: 0.6398949256594619
Energy: 0.6846359620424618
Energy: 0.6362607736829835
Energy: 0.6312755382896504
Energy: 0.7938202182754232
Energy: 0.6312755382896504
Energy: 0.6938656458877862
Energy: 0.6762911581235763
Energy: 0.6126448541767222
Energy: 0.67629115812243
Energy: 0.632969002137037
Energy: 0.6464570987160417
Energy: 0.6930202234906789
Energy: 0.6464570987160417
Energy: 0.7025635015187005
Energy: 0.7169223597109355
Energy: 0.7050459813698274
Energy: 0.7169223597109355
Energy: 0.6868571994348351
Energy: 0.681975230900458
Energy: 0.6357024624218734
Energy: 0.6819752309010311
Energy: 0.6166991081123007
Energy: 0.6782926438379321
Energy: 0.6330074698217689
Energy: 0.6782926438379321
Energy: 0.7844633936114799
Energy: 0.719363251808897
Energy: 0.6413272998074161
Energy: 0.7193632518094701
Energy: 0.6298732259521551
Energy: 0.7828477552831191
Energy: 0.7615836437832988
Energy: 0.7828477552831191
Energy: 0.6810013829649025
Energy: 0.6093230681826984
Energy: 0.6327459071237957
Energy: 0.609323068181552
Energy: 0.6715035835544069
Energy: 0.6855042639992702
Energy: 0.7090627019745922
Energy: 0.685504263998697
Energy: 0.6231343284620625
Energy: 0.7228429115035765
Energy: 0.723732877796407
Energy: 0.7228429115030033
Energy: 0.6849229826709536
Energy: 0.6091157572613071
Energy: 0.6331508038306198
Energy: 0.6091157572618802
Energy: 0.6304221704094347
Energy: 0.7828127562836115
Energy: 0.7642157737127148
Energy: 0.7828127562836115
Energy: 0.7599571697056388
Energy: 0.720508363205154
Energy: 0.640784535877523
Energy: 0.720508363205154
Energy: 0.6176936640458203
Energy: 0.6410467645198233
Energy: 0.633290004078461
Energy: 0.6410467645198233
Energy: 0.626715909298665
Energy: 0.6785385409446506
Energy: 0.6258688361356654
Energy: 0.6785385409440775
Energy: 0.7072310820201406
Energy: 0.7182818479725068
Energy: 0.705522548963864
Energy: 0.7182818479725068
Energy: 0.6312361718310112
Energy: 0.7324565619505895
Energy: 0.8000020421424567
Energy: 0.7324565619517359

minimum gb energy = 0.6084874067674432 eV
minimum distance =  2.50302161318261 Angstroms
sigma value = 73


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

Energy: 0.6525417432774119
Energy: 0.6550231461503506
Energy: 0.7916468870455113
Energy: 0.6550231461503506
Energy: 0.7052467119428701
Energy: 0.6517580727171103
Energy: 0.6267597733983999
Energy: 0.6517580727171103
Energy: 0.795193051736245
Energy: 0.70966421011534
Energy: 0.6332198813581349
Energy: 0.70966421011534
Energy: 0.6401812242651681
Energy: 0.685438020684927
Energy: 0.6467368112962332
Energy: 0.685438020684927
Energy: 0.679818368309532
Energy: 0.6557861184884765
Energy: 0.6192857075608665
Energy: 0.6557861184884765
Energy: 0.6463701520972022
Energy: 0.7016197584067155
Energy: 0.76178137244753
Energy: 0.7016197584067155
Energy: 0.8006162626928954
Energy: 0.6974914783544399
Energy: 0.6411418258811006
Energy: 0.6974914783553493
Energy: 0.6316424762823115
Energy: 0.6945458773521604
Energy: 0.7609788668023871
Energy: 0.6945458773530698
Energy: 0.8159668765560455
Energy: 0.6130930257477294
Energy: 0.6129810782509346
Energy: 0.6130930257477294
Energy: 0.6285354973337108
Energy: 0.6575453542510716
Energy: 0.6310900089123269
Energy: 0.6575453542510716
Energy: 0.639814319478031
Energy: 0.6144223925816518
Energy: 0.7501750445719952
Energy: 0.6144223925816518
Energy: 0.6704360508382283
Energy: 0.6222273424919408
Energy: 0.6445097571067931
Energy: 0.6222273424919408
Energy: 0.6358768384591765
Energy: 0.6458095469321042
Energy: 0.8473546274893413
Energy: 0.6458095469311946
Energy: 0.7657074227916639
Energy: 0.6849792834586063
Energy: 0.6487962951967027
Energy: 0.6849792834595156
Energy: 0.6145047118816572
Energy: 0.7151459332392914
Energy: 0.7360401192329503
Energy: 0.7151459332392914
Energy: 0.757805256848796
Energy: 0.7021697991670737
Energy: 0.6432061558400461
Energy: 0.7021697991679829
Energy: 0.6594156367190133
Energy: 0.6567855785793668
Energy: 0.6421190938361173
Energy: 0.6567855785802762
Energy: 0.6584525414752278
Energy: 0.6828391594615858
Energy: 0.6499286786977957
Energy: 0.6828391594624952
Energy: 0.641910499999829
Energy: 0.6080415669582997
Energy: 0.6314774961276872
Energy: 0.6080415669582997
Energy: 0.6400177696546161
Energy: 0.7241523745391136
Energy: 0.7782459087113787
Energy: 0.7241523745400231
Energy: 0.7614638027022683
Energy: 0.7094616702524431
Energy: 0.6482796234776295
Energy: 0.7094616702524431
Energy: 0.6467399812450237
Energy: 0.653468996806622
Energy: 0.7173743340713594
Energy: 0.653468996806622

minimum gb energy = 0.6080415669582997 eV
minimum distance =  2.50561868639911 Angstroms
sigma value = 7


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

Energy: 0.6237892860441564
Energy: 0.6210744207846824
Energy: 0.776287477827507
Energy: 0.6210744207853255
Energy: 0.7536533908974212
Energy: 0.6509502628768749
Energy: 0.6489582839195187
Energy: 0.6509502628762318
Energy: 0.6216271453703556
Energy: 0.6983175834383182
Energy: 0.6670332499192392
Energy: 0.6983175834383182
Energy: 0.6619140160069783
Energy: 0.6513288026834223
Energy: 0.636891240040394
Energy: 0.6513288026827793
Energy: 0.6118728443267453
Energy: 0.6412913274485394
Energy: 0.6353464857543722
Energy: 0.6412913274491826
Energy: 0.6337276176983588
Energy: 0.697918999082016
Energy: 0.7908352351107637
Energy: 0.697918999081373
Energy: 0.7614890367964546
Energy: 0.662467347175547
Energy: 0.6708740895786026
Energy: 0.6624673485394931
Energy: 0.622785438358251
Energy: 0.685180193744921
Energy: 0.8211829356039156
Energy: 0.685180193744278
Energy: 0.8029612208381498
Energy: 0.6455697290252314
Energy: 0.6396887934979865
Energy: 0.6455697290265174
Energy: 0.6491238388831587
Energy: 0.6524862453724843
Energy: 0.7521327977500692
Energy: 0.6524862453744136
Energy: 0.6498624478436367
Energy: 0.6983596797648585
Energy: 0.6665204163730764
Energy: 0.6983596797648585
Energy: 0.6226953401053628
Energy: 0.6411906773938839
Energy: 0.6537098515429312
Energy: 0.6411906773932409
Energy: 0.6252301162419627
Energy: 0.6231476318419016
Energy: 0.6356889245089384
Energy: 0.6231476318431876
Energy: 0.6648164122116234
Energy: 0.6199966387652752
Energy: 0.6568847804824985
Energy: 0.6199966387659182
Energy: 0.6235042691603614
Energy: 0.7206912856624282
Energy: 0.7614419498424048
Energy: 0.7206912856624282
Energy: 0.7985209551040401
Energy: 0.6177918459374819
Energy: 0.6313075840570023
Energy: 0.6177918459361957
Energy: 0.6326807727208167
Energy: 0.6409311928897585
Energy: 0.7116823654905599
Energy: 0.6409311928897585
Energy: 0.6470991575433855
Energy: 0.7008892063559862
Energy: 0.6356031435472135
Energy: 0.7008892063501987
Energy: 0.6326818172256523
Energy: 0.6980021429378772
Energy: 0.7682857815995746
Energy: 0.6980021429404493
Energy: 0.6357555059856647
Energy: 0.6471594961193514
Energy: 0.6555800209423696
Energy: 0.6471594961174222
Energy: 0.8033866084517062
Energy: 0.6985181741641744
Energy: 0.6358235126229212
Energy: 0.6985181741648174
Energy: 0.6363666383197052
Energy: 0.6220898585719853
Energy: 0.7459168756709627
Energy: 0.6220898585713422
Energy: 0.7879769487343161
Energy: 0.6453401175707424
Energy: 0.6573843906535244
Energy: 0.6453401175700993
Energy: 0.6227496661082733
Energy: 0.6222423442907965
Energy: 0.8070270845626274
Energy: 0.6222423442895104
Energy: 0.6450360619993504
Energy: 0.6475728616835392
Energy: 0.6522609768594618
Energy: 0.6475728616841824
Energy: 0.6553968126130514
Energy: 0.6984772057782843
Energy: 0.6638548323961403
Energy: 0.6984772057763551
Energy: 0.6529592902310788
Energy: 0.6528837927488196
Energy: 0.6445522311515578
Energy: 0.6528837927494626
Energy: 0.6799087009223546
Energy: 0.6408253974894168
Energy: 0.6342531633505695
Energy: 0.64082539749006
Energy: 0.6277489615725903
Energy: 0.6851772375656967
Energy: 0.7478021132859478
Energy: 0.6851772302947172
Energy: 0.717526922537062
Energy: 0.6466738042452815
Energy: 0.660716937623854
Energy: 0.6466738042478247
Energy: 0.6278183448600689
Energy: 0.6842938843878562
Energy: 0.7375754198880711
Energy: 0.684293884334512

minimum gb energy = 0.6118728443267453 eV
minimum distance =  2.51832642787757 Angstroms
sigma value = 29


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

Energy: 0.5799351802279593
Energy: 0.5664713819904387
Energy: 0.7615335983934359
Energy: 0.5664713819904387
Energy: 0.647004587401048
Energy: 0.7663434617846953
Energy: 0.6688343780759204
Energy: 0.7663434617846953
Energy: 0.5531641110569748
Energy: 0.5962040710717461
Energy: 0.6409978235401937
Energy: 0.5962040710717461
Energy: 0.5793320976121867
Energy: 0.5790465136659414
Energy: 0.6565936050438717
Energy: 0.5790465136659414
Energy: 0.5799579647193784
Energy: 0.5792298945784711
Energy: 0.6440250950984195
Energy: 0.5792298945784711
Energy: 0.5666378982085954
Energy: 0.5960842720233064
Energy: 0.5666909553865872
Energy: 0.5960842720231072
Energy: 0.5528278991075491
Energy: 0.5792181493435574
Energy: 0.5799853889972958
Energy: 0.5792181493433334
Energy: 0.6555388157558183
Energy: 0.579123596569154
Energy: 0.5793948791476992
Energy: 0.579123596569378
Energy: 0.6404976420494226
Energy: 0.5962085517157869
Energy: 0.5887536668730339
Energy: 0.5962085517155629

minimum gb energy = 0.5528278991075491 eV
minimum distance =  2.58840291879326 Angstroms
sigma value = 5


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

Energy: 0.5890430432776035
Energy: 0.579173677759551
Energy: 0.6918352052097347
Energy: 0.579173677759551
Energy: 0.7330598968276751
Energy: 0.5791501733683238
Energy: 0.5878240452482559
Energy: 0.5791501733671087
Energy: 0.5751690901491878
Energy: 0.5758707587339196
Energy: 0.758370052475767
Energy: 0.575870758734527
Energy: 0.5924288468012968
Energy: 0.6034978080237053
Energy: 0.5801053543717353
Energy: 0.6034978080237053
Energy: 0.5856612766809435
Energy: 0.606413082534534
Energy: 0.6733698238850664
Energy: 0.606413082534534
Energy: 0.6926607605695865
Energy: 0.5797255484844251
Energy: 0.5741801439285696
Energy: 0.5797255484838177
Energy: 0.5735611172910975
Energy: 0.6045843909561257
Energy: 0.5814939861275547
Energy: 0.6045843909567331
Energy: 0.5719520561185057
Energy: 0.5808029248387679
Energy: 0.5839162109144227
Energy: 0.5808029248387679
Energy: 0.5764627593230507
Energy: 0.604916446414416
Energy: 0.5840424020640016
Energy: 0.6049164464138085
Energy: 0.5774213471229798
Energy: 0.6052327642289609
Energy: 0.5931405599052544
Energy: 0.6052327642283535
Energy: 0.5869323328080182
Energy: 0.604336106445047
Energy: 0.5797902185620339
Energy: 0.6043361064456545
Energy: 0.5860642136725941
Energy: 0.6726945017719373
Energy: 0.5806154647720883
Energy: 0.6726945017713298
Energy: 0.6520858024496232
Energy: 0.5795440708822291
Energy: 0.5851900980915876
Energy: 0.5795440708822291
Energy: 0.5848171918570277
Energy: 0.5806778908093557
Energy: 0.7238838864164155
Energy: 0.5806778908099631
Energy: 0.7758097387778108
Energy: 0.5753341793145248
Energy: 0.5803777791968724
Energy: 0.5753341793163471
Energy: 0.5778230426767259
Energy: 0.5757734874534026
Energy: 0.6897560753982571
Energy: 0.5757734874540101
Energy: 0.6863358867772266
Energy: 0.5784659437839981
Energy: 0.5931570622511245
Energy: 0.5784659437827833
Energy: 0.580287146593465
Energy: 0.5794713362727404
Energy: 0.7500145175020051
Energy: 0.5794713362727404
Energy: 0.6646118401230765
Energy: 0.6066821900396174
Energy: 0.5768116037701618
Energy: 0.6066821900396174
Energy: 0.5828611406378691
Energy: 0.6327569426995728
Energy: 0.5752326890569225
Energy: 0.6327569426467253
Energy: 0.5822785021660696
Energy: 0.6013522770536273
Energy: 0.5811054261855418
Energy: 0.6013522770542347
Energy: 0.5922056658940535
Energy: 0.6053251229731472
Energy: 0.576528321239142
Energy: 0.6053251229731472
Energy: 0.5771642491703582
Energy: 0.5797302078646568
Energy: 0.5839684590295452
Energy: 0.5797302078646568
Energy: 0.5794558416641494
Energy: 0.6079641620504405
Energy: 0.5845989108527916
Energy: 0.607964162051048
Energy: 0.5847407805758077
Energy: 0.5826138395060997
Energy: 0.5826395194019005
Energy: 0.5826138395060997
Energy: 0.6187793873154358
Energy: 0.5799827900575493
Energy: 0.5877688935218973
Energy: 0.5799827900575493
Energy: 0.5769094296792027
Energy: 0.6663130525849621
Energy: 0.5779771899549233
Energy: 0.6663130525843546
Energy: 0.692626426050329
Energy: 0.6053560742208336
Energy: 0.5784943997933878
Energy: 0.6053560742214134
Energy: 0.5853740569584092
Energy: 0.5797375491508711
Energy: 0.7790257160638403
Energy: 0.5797375491508711
Energy: 0.8252495991650612
Energy: 0.5797875704687682
Energy: 0.5791081061262978
Energy: 0.5797875704675532
Energy: 0.5773895506208788
Energy: 0.575471020479821
Energy: 0.7512651202437091
Energy: 0.5754710204792135
Energy: 0.6786455946476999
Energy: 0.6085372433181638
Energy: 0.5807408174533149
Energy: 0.6085372433151266
Energy: 0.5792778963785641
Energy: 0.6040147865314506
Energy: 0.7061038173662717
Energy: 0.6040147865326655

minimum gb energy = 0.5719520561185057 eV
minimum distance =  2.50851193588236 Angstroms
sigma value = 1


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

Energy: 0.6183898638047453
Energy: 0.5609011971553262
Energy: 0.6797087165251409
Energy: 0.5609011971578459
Energy: 0.7353710988167435
Energy: 0.5520838839564592
Energy: 0.5618642960258684
Energy: 0.5520838839564592
Energy: 0.5499972458252046
Energy: 0.5567006165636231
Energy: 0.7299819636483766
Energy: 0.5567006165627832
Energy: 0.5559877137031799
Energy: 0.5883323133087907
Energy: 0.5595648972822307
Energy: 0.5883323133096304
Energy: 0.5557226380196224
Energy: 0.5612411188640084
Energy: 0.6845642357447776
Energy: 0.5612411188631686
Energy: 0.5567410143852696
Energy: 0.5885877258573191
Energy: 0.5592177823519386
Energy: 0.588587725858159
Energy: 0.5500956349078807
Energy: 0.6021524159294551
Energy: 0.5858040787608233
Energy: 0.6021524159286153
Energy: 0.5504460157122048
Energy: 0.5558080982207861
Energy: 0.5759561816004726
Energy: 0.5558080982207861
Energy: 0.5555717851487734
Energy: 0.5617373398015928
Energy: 0.5783371522990457
Energy: 0.5617373398007529
Energy: 0.5555863479205279
Energy: 0.6619369260811573
Energy: 0.5782810567204075
Energy: 0.6619369260803174
Energy: 0.5499601367485649
Energy: 0.5886168230075842
Energy: 0.5717437118997171
Energy: 0.5886168230075842
Energy: 0.5503614449017669
Energy: 0.6458103404308514
Energy: 0.5549217101514734
Energy: 0.6458103404300115
Energy: 0.5567408998434054
Energy: 0.5888930146303657
Energy: 0.5612902764372765
Energy: 0.5888930146312057
Energy: 0.5568779802258269
Energy: 0.56100324758198
Energy: 0.5558440089992107
Energy: 0.56100324758198
Energy: 0.6779249558650038
Energy: 0.5892243920726862
Energy: 0.5613264962918935
Energy: 0.5892243920726862
Energy: 0.5499115386098692
Energy: 0.5559258600457724
Energy: 0.5736740555420585
Energy: 0.5559258600457724
Energy: 0.7567202395343872
Energy: 0.5507622291142705
Energy: 0.5605572643250409
Energy: 0.5507622291134306
Energy: 0.6183898638047453
Energy: 0.5609011971528065
Energy: 0.7022540759269325
Energy: 0.5609011971544863
Energy: 0.7353710988889549
Energy: 0.5520838839564592
Energy: 0.5618642960258684
Energy: 0.5520838839564592
Energy: 0.5499972458252046
Energy: 0.5567006165636231
Energy: 0.7299819636475366
Energy: 0.5567006165636231
Energy: 0.5559878630404743
Energy: 0.5883323133087907
Energy: 0.5595648972822307
Energy: 0.5883323133096304
Energy: 0.5557226380196224
Energy: 0.5612411188640084
Energy: 0.6845642357447776
Energy: 0.5612411188640084
Energy: 0.5567410143869493
Energy: 0.5885877258573191
Energy: 0.5592177823527786
Energy: 0.5885877258573191
Energy: 0.5500956349087206
Energy: 0.6021524159286153
Energy: 0.5858040787599833
Energy: 0.6021524159294551

minimum gb energy = 0.5499115386098692 eV
minimum distance =  2.52166520127487 Angstroms
sigma value = 17


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

Energy: 0.551949945557783
Energy: 0.552345635703922
Energy: 0.7958678688023748
Energy: 0.5523456357028836
Energy: 0.6809028799376143
Energy: 0.5525218894438405
Energy: 0.5498789137249531
Energy: 0.5525218894433214
Energy: 0.5479138878187346
Energy: 0.5464052472669961
Energy: 0.7231015717394588
Energy: 0.5464052472675153
Energy: 0.7501939657629102
Energy: 0.5444638429996422
Energy: 0.5470171241229621
Energy: 0.5444638429991231
Energy: 0.5482659586675814
Energy: 0.6450765975084398
Energy: 0.6754791731939801
Energy: 0.6450765975084398
Energy: 0.6913766785783255
Energy: 0.6501201647023659
Energy: 0.5514440779539942
Energy: 0.6501201647013276
Energy: 0.5616149957196264
Energy: 0.6369213036221697
Energy: 0.5466619512905913
Energy: 0.6369213036221697
Energy: 0.5456888335355415
Energy: 0.6448990748959416
Energy: 0.5463654630420116
Energy: 0.6448990748959416
Energy: 0.5530723766007256
Energy: 0.6509385975830467
Energy: 0.5879584179013191
Energy: 0.6509385975820084
Energy: 0.5551389548227407
Energy: 0.5729688275461696
Energy: 0.5529101321774699
Energy: 0.5729688275456506
Energy: 0.54961122664487
Energy: 0.6431385128632692
Energy: 0.5503757609184357
Energy: 0.6431385128658649
Energy: 0.5445616173513732
Energy: 0.5711145539873272
Energy: 0.5421109304055634
Energy: 0.5711145539878464
Energy: 0.5414477257795873
Energy: 0.6464264704711782
Energy: 0.5490967252913516
Energy: 0.6464264704701399
Energy: 0.5597185523209222
Energy: 0.6453198817237034
Energy: 0.5526714748333024
Energy: 0.6453198817231841
Energy: 0.5559484705792819
Energy: 0.6406374706337796
Energy: 0.558192097101477
Energy: 0.6406374706327413
Energy: 0.5513634668255504
Energy: 0.5471054709517794
Energy: 0.6739787762231466
Energy: 0.5471054709522987
Energy: 0.5458709359460627
Energy: 0.6408348112605443
Energy: 0.5494112689377608
Energy: 0.6408348112610633
Energy: 0.5445509010291025
Energy: 0.5529931915666554
Energy: 0.7452340736579025
Energy: 0.5529931915671745
Energy: 0.6701803187719153
Energy: 0.6396271516062675
Energy: 0.5501248470660588
Energy: 0.6396271516036718
Energy: 0.5498598352029824
Energy: 0.5458741055479431
Energy: 0.70337170894638
Energy: 0.5458741055484623
Energy: 0.58993780576394
Energy: 0.5473516607645128
Energy: 0.5868744069975635
Energy: 0.547351660765032
Energy: 0.5865248645387527
Energy: 0.645298926065647
Energy: 0.6189301160701447
Energy: 0.645298926065647
Energy: 0.7028849451410883
Energy: 0.5494517052229806
Energy: 0.5506237413468129
Energy: 0.5494517052234997
Energy: 0.5496312931991096
Energy: 0.6372142399020607
Energy: 0.6893126663557058
Energy: 0.6372142399020607
Energy: 0.6712722365068086
Energy: 0.5527151205481903
Energy: 0.5455232195087402
Energy: 0.5527151205461138
Energy: 0.5512298511771069
Energy: 0.5788994483697476
Energy: 0.5434554016633889
Energy: 0.5788994483702666
Energy: 0.6120995790524432
Energy: 0.5706900819052664
Energy: 0.5538863764003484
Energy: 0.5706900819047471
Energy: 0.5593655587479451
Energy: 0.6422730274941112
Energy: 0.5566033474519773
Energy: 0.6422730274930729
Energy: 0.5524589497102989
Energy: 0.6462414460693395
Energy: 0.5577822202554154
Energy: 0.6462414460693395
Energy: 0.5503976639606248
Energy: 0.6465314947945167
Energy: 0.5686198398076828
Energy: 0.6465314947955548
Energy: 0.5410883212718973
Energy: 0.5775120425668535
Energy: 0.5450773883738932
Energy: 0.5775120425668535
Energy: 0.5488035793123366
Energy: 0.6397385636436894
Energy: 0.5501497704054064
Energy: 0.6397385636431702
Energy: 0.5523972815558306
Energy: 0.5734023708599739
Energy: 0.6138789205103314
Energy: 0.5734023708604932
Energy: 0.5664358970793426
Energy: 0.6494126606640624
Energy: 0.5540747950082079
Energy: 0.6494126606635434
Energy: 0.5451683119629548
Energy: 0.5538789838855809
Energy: 0.5629947033512789
Energy: 0.5538789838866192
Energy: 0.5897539737412438
Energy: 0.6376103416979474
Energy: 0.5597813424881534
Energy: 0.6376103416958709
Energy: 0.5509943878707524
Energy: 0.6503513402856702
Energy: 0.694685720247709
Energy: 0.6503513402856702
Energy: 0.6729851429679671
Energy: 0.6457171441624404
Energy: 0.5510838704515043
Energy: 0.6457171441624404

minimum gb energy = 0.5410883212718973 eV
minimum distance =  2.51610365980418 Angstroms
sigma value = 89


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

Energy: 0.4843444938708516
Energy: 0.4848948094976322
Energy: 0.775895176517543
Energy: 0.4848948094976322
Energy: 0.6364092855916614
Energy: 0.5008049798574161
Energy: 0.493817611595831
Energy: 0.5008049798574161
Energy: 0.4927280897653746
Energy: 0.5603751064579376
Energy: 0.7592074024396052
Energy: 0.5603751064565793
Energy: 0.7637366148388203
Energy: 0.5009782087626333
Energy: 0.4939838520090607
Energy: 0.5009782087626333
Energy: 0.4920928850372829
Energy: 0.48515755033890134
Energy: 0.7241566958595717
Energy: 0.48515755033890134
Energy: 0.49227261890840474
Energy: 0.484991920068817
Energy: 0.487179040260655
Energy: 0.4849919200701752
Energy: 0.49238470328291917
Energy: 0.5607435930518944
Energy: 0.48488368797218273
Energy: 0.5607435930518944
Energy: 0.6311665427769791
Energy: 0.657077396203628
Energy: 0.49392279626776037
Energy: 0.657077396203628
Energy: 0.4920980800218914
Energy: 0.5220707303624992
Energy: 0.6165505471661363
Energy: 0.5220707303611409
Energy: 0.6413860523477092
Energy: 0.612881255587749
Energy: 0.4924188064658421
Energy: 0.612881255587749
Energy: 0.4845714092863725
Energy: 0.5014333273022206
Energy: 0.49215300000693024
Energy: 0.5014333273022206
Energy: 0.48476504054895586
Energy: 0.5595312432352282
Energy: 0.4939629529791812
Energy: 0.5595312432352282
Energy: 0.4921005200880501
Energy: 0.5204334389518129
Energy: 0.4924072584734986
Energy: 0.5204334389518129
Energy: 0.4924298251213627
Energy: 0.520372327120735
Energy: 0.4922734814981808
Energy: 0.520372327120735
Energy: 0.4855849154408951
Energy: 0.5203593991723531
Energy: 0.4923152664563634
Energy: 0.5203593991723531

minimum gb energy = 0.4843444938708516 eV
minimum distance =  2.53239001987902 Angstroms
sigma value = 13


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

Energy: 0.4904136135923734
Energy: 0.621906157559192
Energy: 0.6334369573738652
Energy: 0.6219061575603305
Energy: 0.529490648518115
Energy: 0.6435407312949899
Energy: 0.4807068246667525
Energy: 0.6435407312966979
Energy: 0.48521608188272236
Energy: 0.6510143180242738
Energy: 0.7003423232206218
Energy: 0.6510143180225658
Energy: 0.637461902966921
Energy: 0.6444494227420324
Energy: 0.48162822384435444
Energy: 0.6444494227431711
Energy: 0.4881345893499138
Energy: 0.5695835679064946
Energy: 0.5126975975476337
Energy: 0.5695835679047866
Energy: 0.5806290935261246
Energy: 0.5639161683339348
Energy: 0.4808901860278625
Energy: 0.5639161683322269
Energy: 0.489331128002382
Energy: 0.6365977749463221
Energy: 0.5437537423525209
Energy: 0.6365977749434756
Energy: 0.6842588458019496
Energy: 0.6636706475729248
Energy: 0.4811733253491938
Energy: 0.6636706475769097
Energy: 0.4895407169891921
Energy: 0.6411872941881569
Energy: 0.5451761341135667
Energy: 0.6411872941813253
Energy: 0.564217152849611
Energy: 0.5782369360033295
Energy: 0.4824985550950535
Energy: 0.5782369360033295
Energy: 0.49001576792983675
Energy: 0.5771165774279774
Energy: 0.4913700840330935
Energy: 0.5771165774279774
Energy: 0.5828798560899064
Energy: 0.5775084170275359
Energy: 0.4846781195387132
Energy: 0.5775084170263972
Energy: 0.49571945733894834
Energy: 0.5587573605688274
Energy: 0.48052256125915427
Energy: 0.5587573605688274
Energy: 0.6233176643650634
Energy: 0.5772625131367193
Energy: 0.48570591433304455
Energy: 0.5772625131372886
Energy: 0.4887382379744964
Energy: 0.6550090749180142
Energy: 0.4805621482109645
Energy: 0.6550090749174449
Energy: 0.4742535447762305
Energy: 0.576875985099187
Energy: 0.4791127818778307
Energy: 0.5768759850963404
Energy: 0.48149493857899966
Energy: 0.5039987851552308
Energy: 0.47985377355625075
Energy: 0.5039987851569386
Energy: 0.4793372834806486
Energy: 0.6337884545427329
Energy: 0.47938530923994216
Energy: 0.6337884545427329
Energy: 0.4818994127687267
Energy: 0.6777193521908753
Energy: 0.479708691881899
Energy: 0.6777193521914446
Energy: 0.4814731311180337
Energy: 0.6761817787419948
Energy: 0.47934908982982377
Energy: 0.6761817787414255
Energy: 0.48010243315516343
Energy: 0.6338422069431173
Energy: 0.4798402156597323
Energy: 0.6338422069431173
Energy: 0.48157524285134673
Energy: 0.5037441467827938
Energy: 0.4789348968314744
Energy: 0.5037441467833631
Energy: 0.4743315003867745
Energy: 0.5774261526500323
Energy: 0.47947150065756167
Energy: 0.5774261526506016
Energy: 0.4897459251640994
Energy: 0.6574172800609588
Energy: 0.48059714136668247
Energy: 0.6574172800581122
Energy: 0.6227554453512154
Energy: 0.5774734258643613
Energy: 0.4857491061380677
Energy: 0.5774734258643613
Energy: 0.497194297993623
Energy: 0.5581652862604739
Energy: 0.47885102395401224
Energy: 0.5581652862587662
Energy: 0.5828248719264177
Energy: 0.5779148828678463
Energy: 0.48579377474601293
Energy: 0.5779148828820789
Energy: 0.48975192206482954
Energy: 0.5840592745611712
Energy: 0.47663649966612504
Energy: 0.5840592745594634
Energy: 0.5643235042520797
Energy: 0.577676307867027
Energy: 0.4814590972395927
Energy: 0.577676307861334
Energy: 0.48909930139336927
Energy: 0.6365833147989863
Energy: 0.531399014378901
Energy: 0.6365833147989863
Energy: 0.679849090954524
Energy: 0.665920840349327
Energy: 0.48194382140091624
Energy: 0.6659208403521734
Energy: 0.48923924759510734
Energy: 0.636405004093151
Energy: 0.6197641094122884
Energy: 0.6364050040948589
Energy: 0.5807675360696337
Energy: 0.5638231710314031
Energy: 0.4808599342025772
Energy: 0.5638231710308338
Energy: 0.49053491940271565
Energy: 0.5692019690496763
Energy: 0.623007311886923
Energy: 0.5692019690513843
Energy: 0.6382371644549993
Energy: 0.6440307948808772
Energy: 0.4824613418518765
Energy: 0.6440307948803079

minimum gb energy = 0.4742535447762305 eV
minimum distance =  2.44100367742835 Angstroms
sigma value = 37


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

Energy: 0.5184733823089116
Energy: 0.5325377884779603
Energy: 0.5964061761301208
Energy: 0.5325377885161375
Energy: 0.5382766240495067
Energy: 0.5720016626390286
Energy: 0.4438690181178472
Energy: 0.5720016626351107
Energy: 0.45039168003083535
Energy: 0.5980226789095411
Energy: 0.5882006393373463
Energy: 0.5980226789017052
Energy: 0.7780024153206382
Energy: 0.5231679874073545
Energy: 0.4443783834174017
Energy: 0.5231679874073545
Energy: 0.4427830224937459
Energy: 0.5702747472947393
Energy: 0.5033727604106412
Energy: 0.5702747472947393
Energy: 0.6152394485166985
Energy: 0.6476927489915502
Energy: 0.4964941735219764
Energy: 0.6476927489915502
Energy: 0.44885457477407925
Energy: 0.7024930080410096
Energy: 0.5360503928298394
Energy: 0.7024930080410096
Energy: 0.4369238235594005
Energy: 0.45072215628755724
Energy: 0.4526908037809115
Energy: 0.45072215628755724
Energy: 0.44441757588800485
Energy: 0.5787720002533332
Energy: 0.49453077174204174
Energy: 0.5787720002533332
Energy: 0.5885086626594694
Energy: 0.5797041269029442
Energy: 0.496417221268921
Energy: 0.5797041272465823
Energy: 0.44271028835706117
Energy: 0.6787157625130891
Energy: 0.48522947110452674
Energy: 0.6787157625130891
Energy: 0.5952114658519574
Energy: 0.4504515074695537
Energy: 0.44445884918582174
Energy: 0.4504515074715126
Energy: 0.49561408509889493
Energy: 0.6371444685219679
Energy: 0.48841140345815676
Energy: 0.6371444685219679
Energy: 0.5865936848846589
Energy: 0.7002523614586943
Energy: 0.43668427150882194
Energy: 0.7002523614586943
Energy: 0.51871826063138
Energy: 0.5537291024095493
Energy: 0.43731559758890987
Energy: 0.5537291024124876
Energy: 0.5190592397819335
Energy: 0.5784642419042124
Energy: 0.4437368763660258
Energy: 0.5784642419032329
Energy: 0.495657893107184
Energy: 0.580567278411621
Energy: 0.44061792260450083
Energy: 0.580567278352875
Energy: 0.49255586865046996
Energy: 0.6718994497270495
Energy: 0.4425069181515955
Energy: 0.6718994497270495
Energy: 0.44255771096086394
Energy: 0.577482399822891
Energy: 0.44255608544192676
Energy: 0.577482399822891
Energy: 0.4424990311087791
Energy: 0.5786356640670187
Energy: 0.49576342434226056
Energy: 0.5786356640679982

minimum gb energy = 0.43668427150882194 eV
minimum distance =  2.54864046241116 Angstroms
sigma value = 25


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

Energy: 0.469299921403586
Energy: 0.6096384130753925
Energy: 0.560733956852542
Energy: 0.6096384130769221
Energy: 0.5412475067060597
Energy: 0.5973230254593133
Energy: 0.3998710707617865
Energy: 0.5973230254593133
Energy: 0.4460364663067534
Energy: 0.4906330958849135
Energy: 0.57812558511078
Energy: 0.49063309588567827
Energy: 0.4693662421891324
Energy: 0.5692839691441058
Energy: 0.40282834906854054
Energy: 0.5692839691410465
Energy: 0.4063186120066228
Energy: 0.6013550481099685
Energy: 0.43195801958321806
Energy: 0.6013550481107334
Energy: 0.597850452978347
Energy: 0.5934131065058453
Energy: 0.41107870008386715
Energy: 0.5934131065020213
Energy: 0.40093444505530185
Energy: 0.4949100801346173
Energy: 0.46969994322614084
Energy: 0.49491008016062177
Energy: 0.5699229024780822
Energy: 0.5775706123841673
Energy: 0.44709352383963685
Energy: 0.5775706123834023
Energy: 0.4004308261590027
Energy: 0.5970172500877381
Energy: 0.5256070703303214
Energy: 0.5970172500938569
Energy: 0.39208978989025633
Energy: 0.5910462332006821
Energy: 0.4203642981887618
Energy: 0.5910462332014468
Energy: 0.4049784100657972
Energy: 0.5199457119784497
Energy: 0.49276273234003026
Energy: 0.5199457119776848
Energy: 0.5102486076830554
Energy: 0.6196935527617794
Energy: 0.4476128214898977
Energy: 0.6196935527617794
Energy: 0.4037303801645927
Energy: 0.5620319581745428
Energy: 0.4700141341597928
Energy: 0.5620319581661296
Energy: 0.5144409681379839
Energy: 0.6157280827467844
Energy: 0.4089238063500031
Energy: 0.6157280827483139
Energy: 0.4076858621979144
Energy: 0.5434439460384484
Energy: 0.431940901271476
Energy: 0.5434439460384484
Energy: 0.528306372190053
Energy: 0.6459007113671607
Energy: 0.4005728400310055
Energy: 0.6459007113663957
Energy: 0.44943450919019257
Energy: 0.5765225433673298
Energy: 0.42812939695698093
Energy: 0.5765225433665649
Energy: 0.5181041405220537
Energy: 0.5970803739962314
Energy: 0.4004462744932018
Energy: 0.5970803739969962
Energy: 0.4734269554376141
Energy: 0.6075240644668216
Energy: 0.3923259403608724
Energy: 0.6075240644668216
Energy: 0.5919724146187505
Energy: 0.6266478234020033
Energy: 0.4089283973771119
Energy: 0.6266478233943549
Energy: 0.4493832068164275
Energy: 0.6365511203712119
Energy: 0.39339827565358615
Energy: 0.6365511203719418
Energy: 0.4417953878925435
Energy: 0.5622717875375582
Energy: 0.40952970804186284
Energy: 0.5622717875367935
Energy: 0.41647429838495936
Energy: 0.6158822076842887
Energy: 0.5158924673810299
Energy: 0.6158822076842887
Energy: 0.431087337477821
Energy: 0.6263341349615689
Energy: 0.40554023066589884
Energy: 0.626334134960804
Energy: 0.40055043633398707
Energy: 0.6362828446369151
Energy: 0.5281837799208087
Energy: 0.6362828446384448
Energy: 0.39414617073756086
Energy: 0.5926639577046913
Energy: 0.4550511994231825
Energy: 0.5926639577039264

minimum gb energy = 0.39208978989025633 eV
minimum distance =  2.46176754646824 Angstroms
sigma value = 41


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

Energy: 0.512397562629853
Energy: 0.5359875326496336
Energy: 0.5321678117627505
Energy: 0.5359875326502607
Energy: 0.48945647146378407
Energy: 0.529548759194855
Energy: 0.3616620942400122
Energy: 0.5295487591973632
Energy: 0.37026691772049675
Energy: 0.5177618236634821
Energy: 0.6860145953522166
Energy: 0.5177618236634821
Energy: 0.44030021787792845
Energy: 0.5254688419057015
Energy: 0.362055831642414
Energy: 0.5254688419050746
Energy: 0.35879440151187325
Energy: 0.546428496766579
Energy: 0.3782586754663629
Energy: 0.546428496766579
Energy: 0.392329548154431
Energy: 0.5296594144182784
Energy: 0.3626081006889411
Energy: 0.5296594144182784
Energy: 0.361022279432117
Energy: 0.5287522048481276
Energy: 0.39311416796009063
Energy: 0.5287522048487545
Energy: 0.5325928683185581
Energy: 0.45152831508834257
Energy: 0.3603074911028607
Energy: 0.4515283150632894
Energy: 0.3632770527292918
Energy: 0.5604705958768471
Energy: 0.43913291261739423
Energy: 0.5604705958762201
Energy: 0.6913357046685149
Energy: 0.5267783129562625
Energy: 0.37177136215348194
Energy: 0.5267783129568896
Energy: 0.3629283650605447
Energy: 0.526314670440913
Energy: 0.4897250047539334
Energy: 0.5263146704421671
Energy: 0.35732046144674673
Energy: 0.5334476635807065
Energy: 0.5124666467663294
Energy: 0.5334476632146854
Energy: 0.36545998426912374
Energy: 0.5605081349929217
Energy: 0.48948984802355483
Energy: 0.5605081349935488
Energy: 0.6268718655785883
Energy: 0.6517819623484931
Energy: 0.37163840147171295
Energy: 0.6517819623491201
Energy: 0.36602881039329527
Energy: 0.5257510699399314
Energy: 0.4421419323847396
Energy: 0.5257510699405583
Energy: 0.6269311046984583
Energy: 0.5604417344239557
Energy: 0.3595497276832033
Energy: 0.5604417344245828
Energy: 0.3629626093846072
Energy: 0.5611209025591708
Energy: 0.41354390234508864
Energy: 0.5611209025591708
Energy: 0.5797137753348233
Energy: 0.5921572171291158
Energy: 0.36571983048770124
Energy: 0.5921572171291158
Energy: 0.36127996167176984
Energy: 0.45245371000928486
Energy: 0.3556758094858447
Energy: 0.45245370950599845
Energy: 0.436843420466809
Energy: 0.5600986730787857
Energy: 0.3702613154759726
Energy: 0.5600986730787857
Energy: 0.3723291240468089
Energy: 0.5604494950642832
Energy: 0.35547447007015776
Energy: 0.5604494950649102
Energy: 0.5693542572256958
Energy: 0.6003845163184955
Energy: 0.3615472667147191
Energy: 0.6003845163178685
Energy: 0.5139230155487997
Energy: 0.5355408011758271
Energy: 0.35726535025512196
Energy: 0.5355408011739461
Energy: 0.4870901226579756
Energy: 0.5651309119362629
Energy: 0.3634736157048043
Energy: 0.5651309119362629
Energy: 0.3724963133954688
Energy: 0.5872354860001429
Energy: 0.36116524115380444
Energy: 0.5872354860007698
Energy: 0.4727793250629362
Energy: 0.5960900149268856
Energy: 0.3620495635929229
Energy: 0.5960900149250045
Energy: 0.3614791123125142
Energy: 0.5594519297351987
Energy: 0.4592768069696584
Energy: 0.5594519297358257
Energy: 0.3594215416754036
Energy: 0.5633687800978566
Energy: 0.36441428058935493
Energy: 0.5633687800978566
Energy: 0.3626895469550149
Energy: 0.5874805972570356
Energy: 0.4517843481830563
Energy: 0.5874805972564084
Energy: 0.355342148704411
Energy: 0.581121685634683
Energy: 0.36371969346816746
Energy: 0.5811216856390439
Energy: 0.37197756878225074
Energy: 0.558948387803769
Energy: 0.43689140705364643
Energy: 0.558948387803769
Energy: 0.3585328861696144
Energy: 0.5642363695344594
Energy: 0.3745739442395997
Energy: 0.5642363695344594

minimum gb energy = 0.355342148704411 eV
minimum distance =  2.46577922072275 Angstroms
sigma value = 15


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

Energy: 0.46613927361957896
Energy: 0.5264471853486185
Energy: 0.5497814815997973
Energy: 0.5264471853491497
Energy: 0.5197915350198968
Energy: 0.5046370620867349
Energy: 0.34037749374012477
Energy: 0.5046370620851413
Energy: 0.3481632637876075
Energy: 0.4818150991835167
Energy: 0.5894782432115705
Energy: 0.48181509918564147
Energy: 0.4415148952350614
Energy: 0.5029423353387187
Energy: 0.3422846536358497
Energy: 0.5029423353376562
Energy: 0.33694622183502
Energy: 0.5809995894136598
Energy: 0.3512210828916874
Energy: 0.5809995894131286
Energy: 0.40083675180035105
Energy: 0.5071705843735449
Energy: 0.3419692551566363
Energy: 0.5071705843724825
Energy: 0.3382626407992536
Energy: 0.48180387785249656
Energy: 0.36017818983873523
Energy: 0.4818038778540901
Energy: 0.359566819890299
Energy: 0.48079304177310733
Energy: 0.3405150508292062
Energy: 0.48079281566210397
Energy: 0.3396979475180017
Energy: 0.5304806690699152
Energy: 0.40001348426299993
Energy: 0.5304806690725712
Energy: 0.5093877822652714
Energy: 0.5059340244464657
Energy: 0.33768497650939805
Energy: 0.5059340244459345
Energy: 0.34464089679527804
Energy: 0.5060811142182738
Energy: 0.44231724137894374
Energy: 0.5060811142188051
Energy: 0.5916509664721226
Energy: 0.48108214251863113
Energy: 0.34991151969437007
Energy: 0.48108214252819265
Energy: 0.3402006456729643
Energy: 0.5318864214491027
Energy: 0.5212470772754404
Energy: 0.5318864214501651
Energy: 0.33097342952995784
Energy: 0.5262265971533104
Energy: 0.46645220909563573
Energy: 0.5262265971538417
Energy: 0.34371343729266635
Energy: 0.5049170226256312
Energy: 0.5210547763493546
Energy: 0.5049170226256312
Energy: 0.5892151504101191
Energy: 0.4822277266940813
Energy: 0.349526101445586
Energy: 0.48222772669195657
Energy: 0.33951449090494673
Energy: 0.5327728604539543
Energy: 0.48136490859113357
Energy: 0.5327728604544855
Energy: 0.5917440769895891
Energy: 0.5815459429082827
Energy: 0.33716780866657503
Energy: 0.5815459429077513
Energy: 0.34269819996082235
Energy: 0.5118520165467098
Energy: 0.40233859839967046
Energy: 0.511852016547241
Energy: 0.4144702741889162
Energy: 0.5034751159825782
Energy: 0.3391745399927249
Energy: 0.5034751159831095
Energy: 0.3454422066070902
Energy: 0.522928048130669
Energy: 0.38290797548119376
Energy: 0.5229280481312003
Energy: 0.4112544280659431
Energy: 0.5303715525419773
Energy: 0.34529074929060316
Energy: 0.5303715525371966
Energy: 0.33816616317646364
Energy: 0.5043417674346439
Energy: 0.33322929365392007
Energy: 0.5043417674341126
Energy: 0.501206811754183
Energy: 0.5034533809688945
Energy: 0.3420523002795319
Energy: 0.5034533809688945
Energy: 0.35117934871953177
Energy: 0.5215899495155977
Energy: 0.32901645829505033
Energy: 0.5215899495155977
Energy: 0.5203549439616245
Energy: 0.5422822594093074
Energy: 0.3410091969516128
Energy: 0.542282259407762
Energy: 0.4674033936793807
Energy: 0.5235811788019445
Energy: 0.3297843041609354
Energy: 0.5235811788046004
Energy: 0.5940077874990904
Energy: 0.5113310688967359
Energy: 0.3427697009774364
Energy: 0.5113310688967359
Energy: 0.35378209945264094
Energy: 0.5922883149585473
Energy: 0.33820477818118566
Energy: 0.5922883149622656
Energy: 0.43109350165318633
Energy: 0.533301379216178
Energy: 0.34120688485939216
Energy: 0.5333013792167091
Energy: 0.3398050598901103
Energy: 0.5400189343577921
Energy: 0.41777458660961925
Energy: 0.5400189343567298
Energy: 0.4263838483366645
Energy: 0.5111635609497656
Energy: 0.3474372393647721
Energy: 0.5111635609487031
Energy: 0.3395219468866643
Energy: 0.5496039413893019
Energy: 0.41210731417057683
Energy: 0.5496039413893019
Energy: 0.33055335808927094
Energy: 0.5211145124777985
Energy: 0.3470017943603458
Energy: 0.5211145124756739
Energy: 0.34213883774180287
Energy: 0.5375787826265622
Energy: 0.41149889250620425
Energy: 0.5375787826265622
Energy: 0.32973187838237106
Energy: 0.5106007427470438
Energy: 0.342369491696949
Energy: 0.5106007427470438
Energy: 0.3444717939579743
Energy: 0.5462980983553398
Energy: 0.49917515166210213
Energy: 0.5462980983564023

minimum gb energy = 0.32901645829505033 eV
minimum distance =  2.53815872494708 Angstroms
sigma value = 85


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

Energy: 0.4382316597058297
Energy: 0.48873781292054513
Energy: 0.515047328754176
Energy: 0.4887378129210058
Energy: 0.5424571998874697
Energy: 0.46214809726966766
Energy: 0.3078948754338015
Energy: 0.46214809727012834
Energy: 0.4202644949839364
Energy: 0.43684919647743237
Energy: 0.5509551079944998
Energy: 0.43684919647743237
Energy: 0.4759159803768945
Energy: 0.4617412591315421
Energy: 0.3086911341341773
Energy: 0.46174125913200287
Energy: 0.3204825944113158
Energy: 0.423689702834681
Energy: 0.2963257887335789
Energy: 0.4236897028342203
Energy: 0.40898588129109953
Energy: 0.4633402550763643
Energy: 0.3073981095146862
Energy: 0.46334025543095986
Energy: 0.3059386778637059
Energy: 0.4458836518535203
Energy: 0.35011437001559575
Energy: 0.4458836518535203
Energy: 0.3790404225984202
Energy: 0.46082463565847
Energy: 0.3081502752972744
Energy: 0.4608246356580093
Energy: 0.30719923154197376
Energy: 0.4302937398187791
Energy: 0.3782683564346113
Energy: 0.4302937398187791
Energy: 0.33655694731688124
Energy: 0.44587482226827424
Energy: 0.306088644852962
Energy: 0.44587482226827424
Energy: 0.30877311092108206
Energy: 0.4629449823622478
Energy: 0.40895349954312643
Energy: 0.4629449823622478
Energy: 0.47550123041162884
Energy: 0.46155022321022354
Energy: 0.32047816633673054
Energy: 0.46155022321068423
Energy: 0.3071631485525199
Energy: 0.4296939979506786
Energy: 0.47562187229857666
Energy: 0.4296939979502179
Energy: 0.550236222024232
Energy: 0.4368754752449679
Energy: 0.4206091847628625
Energy: 0.4368754752454286
Energy: 0.3083112535154792
Energy: 0.4696803742773553
Energy: 0.5431736089320857
Energy: 0.4696803742773553
Energy: 0.2951828653343328
Energy: 0.4914078122131608
Energy: 0.4385352447838597
Energy: 0.4914078122154643
Energy: 0.3072052469455415
Energy: 0.42978378056057037
Energy: 0.5426775079379186
Energy: 0.4297837805619315
Energy: 0.3593856669483007
Energy: 0.43695825626989915
Energy: 0.4205660845213269
Energy: 0.43695825626943846
Energy: 0.3094480639966915
Energy: 0.47265823104060856
Energy: 0.4770457591675385
Energy: 0.47265823104106924
Energy: 0.5516381196980672
Energy: 0.5273349808510692
Energy: 0.32029316225466015
Energy: 0.5273349810822379
Energy: 0.3074793268922691
Energy: 0.4299666525758474
Energy: 0.40955235593048783
Energy: 0.4299666525763081
Energy: 0.3669175799338301
Energy: 0.4389707724326665
Energy: 0.30705047529302165
Energy: 0.4389707724326665
Energy: 0.30987587195065547
Energy: 0.4692143631194894
Energy: 0.37943542323191687
Energy: 0.4692143631199501
Energy: 0.36987310067626894
Energy: 0.4983699064905248
Energy: 0.3084633721768113
Energy: 0.4983699064905248
Energy: 0.3073151847439076
Energy: 0.38429640960399497
Energy: 0.3243424813235613
Energy: 0.3842964095929381
Energy: 0.43640978148462617
Energy: 0.46051824765428556
Energy: 0.30829721346646993
Energy: 0.46051824765290345
Energy: 0.322064756262176
Energy: 0.4711817944590796
Energy: 0.29543859324710126
Energy: 0.471181794460001
Energy: 0.44256226977467517
Energy: 0.4972968494681905
Energy: 0.30744638855876794
Energy: 0.4972968494686512
Energy: 0.42142390997786583
Energy: 0.4370373508142035
Energy: 0.296548914285477
Energy: 0.4370373508142035
Energy: 0.5856371689136125
Energy: 0.4697547154230318
Energy: 0.30910631149234646
Energy: 0.4697547154230318
Energy: 0.4392346877088105
Energy: 0.5006279435272251
Energy: 0.29580985946413685
Energy: 0.5006279435267643
Energy: 0.5295778814967003
Energy: 0.5034806263305719
Energy: 0.30813782509618887
Energy: 0.5034806263324149
Energy: 0.42141636894441703
Energy: 0.43706376487234727
Energy: 0.4742023457717391
Energy: 0.43706376487234727
Energy: 0.5218278470050384
Energy: 0.4628410008825923
Energy: 0.31106292390252077
Energy: 0.4628410008890422
Energy: 0.32217341091313867
Energy: 0.5275648095114567
Energy: 0.3723483512867456
Energy: 0.527564809512378
Energy: 0.3848543028296398
Energy: 0.5016126902533975
Energy: 0.30747753310476805
Energy: 0.5016126902533975
Energy: 0.3072211419792162
Energy: 0.46062338422423
Energy: 0.36622375524311257
Energy: 0.4606233842237693
Energy: 0.37944130446480595
Energy: 0.46974596100557064
Energy: 0.31078416126273817
Energy: 0.46974596100557064
Energy: 0.3110707781474739
Energy: 0.4981998013365216
Energy: 0.37001083850143585
Energy: 0.4981998013360609
Energy: 0.29805400125955606
Energy: 0.4875491566426489
Energy: 0.30993357270550065
Energy: 0.4875491566431096
Energy: 0.3073374684721925
Energy: 0.46150907262745317
Energy: 0.4497935396917045
Energy: 0.46150907260812457
Energy: 0.2945446535893711
Energy: 0.4694770413649794
Energy: 0.3249082902592229
Energy: 0.4694770413635973
Energy: 0.30879796017789757
Energy: 0.5004734690843239
Energy: 0.4425371992275809
Energy: 0.5004734690843239

minimum gb energy = 0.2945446535893711 eV
minimum distance =  2.5405071373763 Angstroms
sigma value = 113


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

Energy: 0.011729444582128816
Energy: 0.013082556372136182
Energy: 0.3997286062427175
Energy: 0.013082556372136182
Energy: 0.39981879875058934
Energy: 0.9368701685546782
Energy: 0.16443819332956877
Energy: 0.9368701685546782
Energy: 0.01172944458248298
Energy: 0.013082556372136182
Energy: 0.3997141410187905
Energy: 0.013082556372490345
Energy: 0.3998187987502549
Energy: 0.9368701685550127
Energy: 0.16443997239234237
Energy: 0.9368701685546782
Energy: 0.01172944458248298
Energy: 0.013082556371782014
Energy: 0.39968263307304125
Energy: 0.013082556372136182
Energy: 0.39981879875058934
Energy: 0.9368701685550127
Energy: 0.16443833920977835
Energy: 0.9368701685550127

minimum gb energy = 0.011729444582128816 eV
minimum distance =  2.79309864084132 Angstroms
sigma value = 1