Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.302443556487561
cohesive_energy=7.470587473106058
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.01730351817368836
Energy: 0.017643629655518637
Energy: 3.551274728410668
Energy: 0.017643629655518637
Energy: 0.017643629655518637
Energy: 0.018080639402895792
Energy: 0.8178192775337708
Energy: 0.018080639402895792
Energy: 3.551274728410668
Energy: 0.8178192775337708
Energy: 0.8167946205393876
Energy: 0.8178192775337708
Energy: 0.01764362965622844
Energy: 0.018080639402895792
Energy: 0.8178192775337708
Energy: 0.018080639402895792

minimum gb energy = 0.01730351817368836 eV
minimum distance =  2.85504429683976 Angstroms
sigma value = 1


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

Energy: 1.936015151753648
Energy: 1.6565836949130657
Energy: 1.615717060022744
Energy: 1.6565836949139772
Energy: 1.9420100417001942
Energy: 1.1974755648339512
Energy: 1.2632409283267407
Energy: 1.1974755648339512
Energy: 2.245134626545296
Energy: 1.2610080903277505
Energy: 1.2300730793562087
Energy: 1.2610080903286618
Energy: 1.6818004863398714
Energy: 1.1999736243853691
Energy: 1.3267055762901214
Energy: 1.1999736243844579
Energy: 1.678074299814087
Energy: 1.1998114414564875
Energy: 1.7502266690522315
Energy: 1.199811441457399
Energy: 1.9584590409193916
Energy: 1.2070310337481547
Energy: 1.2071382083231201
Energy: 1.2070310337472432
Energy: 1.451914023138589
Energy: 1.2071973731805268
Energy: 1.2071257926755077
Energy: 1.2071973731796153
Energy: 1.2010189102788738
Energy: 1.204030852828701
Energy: 1.7502440992904955
Energy: 1.2040308528268782
Energy: 1.4641432402236605
Energy: 1.206091837306368
Energy: 1.6851804413172184
Energy: 1.2060918373728644
Energy: 2.0390223951682582
Energy: 1.207285682057609
Energy: 1.5354650377357544
Energy: 1.207285682055786
Energy: 1.22748269648444
Energy: 1.2829369788145517
Energy: 1.5739436773413535
Energy: 1.2829369788145517
Energy: 1.2274572555856984
Energy: 1.227316890155398
Energy: 2.568965822071322
Energy: 1.2273168901563096
Energy: 1.4924083201006553
Energy: 1.2816664834531808
Energy: 1.6835027212327285
Energy: 1.281666483452269
Energy: 1.2589963946823404
Energy: 1.2825066427464562
Energy: 1.68261719336717
Energy: 1.2825066427464562
Energy: 1.2589211649336647
Energy: 1.2049565268169498
Energy: 1.944486538796631
Energy: 1.2049565268169498
Energy: 1.3021984687567303
Energy: 1.2051476216875743
Energy: 1.9443939990150492
Energy: 1.2051476216875743
Energy: 1.2627262074052414
Energy: 1.2814945665310742
Energy: 1.6824289314631236
Energy: 1.2814945665328972
Energy: 1.4833270770147406
Energy: 1.2814598105429396
Energy: 1.6825133778832904
Energy: 1.281459810543851
Energy: 1.2328042978510352
Energy: 1.2274666778110412
Energy: 2.6206144054342646
Energy: 1.2274666778119527
Energy: 1.2273549987969663
Energy: 1.282937817295426
Energy: 1.456258385270472
Energy: 1.282937817295426
Energy: 2.0387342244927025
Energy: 1.2076416143360866
Energy: 1.533447210137183
Energy: 1.2076416143360866
Energy: 1.463748181550682
Energy: 1.199831515840244
Energy: 1.6854047473327838
Energy: 1.1998315158393325
Energy: 1.33394277354934
Energy: 1.2040976642948986
Energy: 1.4718397017428555
Energy: 1.2040976642939871
Energy: 1.706055372049474
Energy: 1.2071343753431054
Energy: 1.2068749257847349
Energy: 1.2071343753412824
Energy: 1.9584620938357207
Energy: 1.207174076077076
Energy: 1.2071365843640434
Energy: 1.2071740760752532
Energy: 1.6776103424782005
Energy: 1.1998546568611548
Energy: 1.750245281931518
Energy: 1.1998546568611548
Energy: 1.6784481598075096
Energy: 1.200068494902035
Energy: 1.261561924799436
Energy: 1.2000684949038578
Energy: 2.245293532486389
Energy: 1.2610109949521582
Energy: 1.2308268363868449
Energy: 1.2610109949521582
Energy: 1.9417490913162727
Energy: 1.1972746482063545
Energy: 1.2623734241077211
Energy: 1.1972746482081773
Energy: 1.6993185606437917
Energy: 1.5809397762975896
Energy: 1.2611270490956346
Energy: 1.5809397762975896
Energy: 1.9443822657136096
Energy: 1.1971791015686692
Energy: 1.3288122040508201
Energy: 1.1971791015686692
Energy: 1.9606356549507309
Energy: 1.2252241812476101
Energy: 1.2311091334844606
Energy: 1.2252241812466989
Energy: 1.6780684262752996
Energy: 1.199905326031212
Energy: 1.3269173854932277
Energy: 1.1999053260321235

minimum gb energy = 1.1971791015686692 eV
minimum distance =  2.69100751900448 Angstroms
sigma value = 1


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

Energy: 2.1115450256223496
Energy: 1.261070088671022
Energy: 1.3259915690575468
Energy: 1.2610700886720612
Energy: 1.7774099532041208
Energy: 1.3260668502627448
Energy: 1.3856470530510552
Energy: 1.3260668502627448
Energy: 1.8137472015453124
Energy: 1.2977459259064694
Energy: 1.2977865165589733
Energy: 1.2977459259064694
Energy: 1.234277910319993
Energy: 1.2698521317735867
Energy: 1.512540517651676
Energy: 1.2698521317735867
Energy: 1.234420755204079
Energy: 1.269871383602808
Energy: 1.9534350628267036
Energy: 1.269871383603847
Energy: 1.8139916086051067
Energy: 1.2698133972463634
Energy: 1.2697186527729534
Energy: 1.2698133972453245
Energy: 1.2994689491396767
Energy: 1.3267236464097192
Energy: 1.2696856841182755
Energy: 1.3267236464107586
Energy: 1.269775858966815
Energy: 1.2697572181382797
Energy: 1.9530026457242051
Energy: 1.2697572181382797
Energy: 1.2994877559109974
Energy: 1.2349725228696236
Energy: 1.8173967320983333
Energy: 1.2349725228696236
Energy: 1.953444584283723
Energy: 1.2345046056359434
Energy: 1.2342973671315114
Energy: 1.2345046056369824
Energy: 1.2723136207831338
Energy: 1.3651549373252185
Energy: 1.818147389203357
Energy: 1.3651549373262577
Energy: 1.2708462510453644
Energy: 1.2703549241432768
Energy: 2.429609663030521
Energy: 1.2703549241443157
Energy: 1.3853088238380433
Energy: 1.2364222610785078
Energy: 1.7747118880280894
Energy: 1.2364222610774684
Energy: 1.3853088238380433
Energy: 1.2366713965507485
Energy: 1.774970537908097
Energy: 1.2366713965497094
Energy: 1.271010263158009
Energy: 1.2698780493152844
Energy: 2.429688587341229
Energy: 1.2698780493152844
Energy: 1.272347556559757
Energy: 1.3651026453220636
Energy: 1.8181255641052523
Energy: 1.3651026453231025
Energy: 1.9534445842847623
Energy: 1.2345453270548343
Energy: 1.234364040445699
Energy: 1.2345453270548343
Energy: 1.2996307186015532
Energy: 1.2352341030467533
Energy: 1.8174243896779914
Energy: 1.2352341030467533
Energy: 1.2697674957660852
Energy: 1.2697564805015016
Energy: 1.9530026457252445
Energy: 1.2697564805025408
Energy: 1.29937299571107
Energy: 1.3265787551667036
Energy: 1.2696880897595202
Energy: 1.3265787551656645
Energy: 1.8140584149595038
Energy: 1.269756667404792
Energy: 1.2697986449053793
Energy: 1.2697566674058314
Energy: 1.2343328867980612
Energy: 1.2696300262805833
Energy: 1.9534350628256647
Energy: 1.2696300262816225
Energy: 1.2344795924549445
Energy: 1.2697917911988288
Energy: 1.5125405176506368
Energy: 1.2697917911988288
Energy: 1.8137642249062607
Energy: 1.2975123440272147
Energy: 1.2976668298057528
Energy: 1.2975123440261753
Energy: 1.776934255681561
Energy: 1.3260804017770418
Energy: 1.3856470530489766
Energy: 1.3260804017770418
Energy: 2.1115450256223496
Energy: 1.261070088671022
Energy: 1.3259916325002552
Energy: 1.2610700886699828
Energy: 1.7774099532041208
Energy: 1.3260668502627448
Energy: 1.3856470530500158
Energy: 1.3260668502637842
Energy: 1.8137472015463518
Energy: 1.2977459259064694
Energy: 1.2977865165589733
Energy: 1.2977459259064694
Energy: 1.2342779103189538
Energy: 1.2698521317735867
Energy: 1.512540517651676
Energy: 1.2698521317735867

minimum gb energy = 1.2342779103189538 eV
minimum distance =  2.68083490661578 Angstroms
sigma value = 25


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

Energy: 1.8126421708938905
Energy: 1.4839086260146466
Energy: 1.4057606599131343
Energy: 1.4839086260278807
Energy: 1.9418180633134607
Energy: 1.3343087372141393
Energy: 1.5195421922483945
Energy: 1.334308737215347
Energy: 1.9633797654119138
Energy: 1.389269464410193
Energy: 1.3906971885948598
Energy: 1.389269464410193
Energy: 1.6820337554404783
Energy: 1.3277302285426287
Energy: 1.5195915604200951
Energy: 1.3277302285414208
Energy: 1.6814732395669767
Energy: 1.3278777675465663
Energy: 1.696514428134844
Energy: 1.3278777675465663
Energy: 1.9631919122710524
Energy: 1.3348102242704192
Energy: 1.3344096255004536
Energy: 1.3348102242704192
Energy: 1.3736867532110357
Energy: 1.327273533506701
Energy: 1.3343393591882178
Energy: 1.327273533505493
Energy: 1.3397461212201547
Energy: 1.3731490352771172
Energy: 2.435507680138664
Energy: 1.3731490352759088
Energy: 1.4407942100913533
Energy: 1.4396835392647456
Energy: 1.669550194701121
Energy: 1.4396835392647456
Energy: 1.4654372859243041
Energy: 1.3182631327026733
Energy: 1.6692545750566974
Energy: 1.3182631327026733
Energy: 1.4654922033205755
Energy: 1.3272605489305664
Energy: 1.9454974769589566
Energy: 1.3272605489305664
Energy: 1.4714637828099184
Energy: 1.3735864747329194
Energy: 1.9453558477227126
Energy: 1.3735864747317112
Energy: 1.465372999345933
Energy: 1.3185571286089235
Energy: 1.6692445205019537
Energy: 1.3185571286089235
Energy: 1.4402161744437143
Energy: 1.439465097212837
Energy: 1.6694297047991242
Energy: 1.439465097212837
Energy: 1.3700092165074111
Energy: 1.3731865077560814
Energy: 2.381147210765807
Energy: 1.3731865077548735
Energy: 1.3732299646808257
Energy: 1.328039339697917
Energy: 1.3347944748699339
Energy: 1.3280393397003332
Energy: 2.4024654922034596
Energy: 1.3346810679117163
Energy: 1.334446593890859
Energy: 1.3346810679117163
Energy: 1.6808576504492014
Energy: 1.3275102440795157
Energy: 1.696963739023548
Energy: 1.3275102440795157
Energy: 1.680885751551884
Energy: 1.3277075042752247
Energy: 1.5199698947987486
Energy: 1.3277075042752247
Energy: 1.655470269263886
Energy: 1.334373541881508
Energy: 1.3786779658353003
Energy: 1.334373541881508
Energy: 1.9417223046454066
Energy: 1.3342607008933123
Energy: 1.4066336170678888
Energy: 1.3342607008933123
Energy: 1.6854314641177308
Energy: 1.3182454140139488
Energy: 1.4435581983992316
Energy: 1.3182454140127406
Energy: 1.9439836398911519
Energy: 1.429007874169355
Energy: 1.5230948334649999
Energy: 1.429007874168147
Energy: 2.1691872026353773
Energy: 1.388937067332094
Energy: 1.3895575429761655
Energy: 1.388937067332094
Energy: 1.6817960322600076
Energy: 1.3277310824644588
Energy: 1.3671904790346066
Energy: 1.3277310824644588

minimum gb energy = 1.3182454140127406 eV
minimum distance =  2.69471589244025 Angstroms
sigma value = 9


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

Energy: 1.6806332185003847
Energy: 1.6639224144797782
Energy: 1.5082482715929983
Energy: 1.6639224144797782
Energy: 1.6524232686161626
Energy: 1.4247001931579564
Energy: 1.4243228047174474
Energy: 1.4247001931579564
Energy: 1.639971429014429
Energy: 1.4490792702766726
Energy: 1.4487800018011807
Energy: 1.4490792702766726
Energy: 1.6615066343719074
Energy: 1.4245113979309778
Energy: 1.4244526465747946
Energy: 1.4245113979309778
Energy: 1.6615975269547556
Energy: 1.4243215532670053
Energy: 1.6713111680995163
Energy: 1.4243215532670053
Energy: 2.312415613199561
Energy: 1.42433374887565
Energy: 1.6612915083120583
Energy: 1.42433374887565
Energy: 1.4492954981556703
Energy: 1.4243299085460563
Energy: 1.6611580735802514
Energy: 1.4243299085460563
Energy: 1.5371768857202448
Energy: 1.4244182722667278
Energy: 2.138624198190699
Energy: 1.4244182722667278
Energy: 1.7154033168216283
Energy: 1.4046818311533575
Energy: 1.3438836659776194
Energy: 1.404681831154799
Energy: 1.7154363850066456
Energy: 1.3440446230635779
Energy: 1.343847854999444
Energy: 1.3440446230635779
Energy: 1.4256556577183488
Energy: 1.4048447316017878
Energy: 2.1453844246189404
Energy: 1.4048447316017878
Energy: 1.5424879972587977
Energy: 1.3437336856736415
Energy: 1.7583260299537073
Energy: 1.3437336856736415
Energy: 1.7154493217489126
Energy: 1.4252649722288788
Energy: 1.7310178123109514
Energy: 1.4252649722288788
Energy: 1.7412501482445928
Energy: 1.4656354236132956
Energy: 1.6622703801970198
Energy: 1.465635423611854
Energy: 1.7309052440289514
Energy: 1.4241750667272675
Energy: 1.7989501094808484
Energy: 1.4241750667272675
Energy: 1.6612829900797226
Energy: 1.3438438956470808
Energy: 1.4494276438347842
Energy: 1.3438438956470808
Energy: 2.1588875385248794
Energy: 1.568717151062605
Energy: 1.4244348768633301
Energy: 1.568717151061164
Energy: 1.6784995651428023
Energy: 1.4095861526227778
Energy: 1.655296774043403
Energy: 1.4095861526213365
Energy: 1.633393284680094
Energy: 1.4247166240174205
Energy: 1.681947783423712
Energy: 1.4247166240174205
Energy: 2.158871967105936
Energy: 1.4489802435138974
Energy: 1.4488742722139698
Energy: 1.4489802435124564
Energy: 1.6612577604941492
Energy: 1.4254370858410346
Energy: 1.4253478027593602
Energy: 1.4254370858410346

minimum gb energy = 1.3437336856736415 eV
minimum distance =  2.6553133850799 Angstroms
sigma value = 25


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

Energy: 1.5343110878738342
Energy: 1.4545372713900206
Energy: 1.6170579684633533
Energy: 1.4545372713882383
Energy: 1.977508708646963
Energy: 1.597378469428164
Energy: 1.5584051701062196
Energy: 1.597378469428164
Energy: 1.770092105349991
Energy: 1.5412310671273324
Energy: 1.5587243535531985
Energy: 1.5412310671291147
Energy: 1.4878667202534201
Energy: 1.5942780095606262
Energy: 1.5149188479576094
Energy: 1.5942780095606262
Energy: 1.5940620259177447
Energy: 1.598480785013848
Energy: 2.031913777813847
Energy: 1.5984807850156302
Energy: 2.1821378264734106
Energy: 1.5302620232012056
Energy: 1.5297463949823535
Energy: 1.5302620232012056
Energy: 1.7352769067419078
Energy: 1.595343985811606
Energy: 1.5301447463084688
Energy: 1.5953439858133884
Energy: 1.5945206953649698
Energy: 1.645612197202566
Energy: 1.9778833737843642
Energy: 1.6456121972043483
Energy: 1.650170426980195
Energy: 1.530442867849018
Energy: 1.5297917306418303
Energy: 1.5304428678472357
Energy: 1.7308758301237315
Energy: 1.5307572102971732
Energy: 1.529985958624414
Energy: 1.5307572102971732
Energy: 1.5942616584021356
Energy: 1.5948115304136736
Energy: 2.022810091545492
Energy: 1.5948115304136736
Energy: 1.5941474430685627
Energy: 1.5303395908364692
Energy: 1.5409123164229195
Energy: 1.5303395908364692
Energy: 1.9016781709929307
Energy: 1.5411418350740416
Energy: 1.5419576446617693
Energy: 1.5411418350740416
Energy: 2.0619422885766
Energy: 1.5983881997946563
Energy: 1.8257520087723191
Energy: 1.5983881997964386
Energy: 1.8032922857695404
Energy: 1.454877776363369
Energy: 1.7301628484450713
Energy: 1.4548777763651513
Energy: 1.9187516987653086
Energy: 1.5195679248427234
Energy: 1.5412592596620909
Energy: 1.5195679248427234
Energy: 1.5958972480745348
Energy: 1.5305645799485383
Energy: 1.5425962021264679
Energy: 1.5305645799485383

minimum gb energy = 1.4545372713882383 eV
minimum distance =  2.63779232914871 Angstroms
sigma value = 17


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

Energy: 2.08165921289467
Energy: 2.0203642056371534
Energy: 1.6781035286802917
Energy: 2.0203642056371534
Energy: 1.8398440584724274
Energy: 1.632481946425573
Energy: 1.7044631588057026
Energy: 1.6324819464245637
Energy: 1.8519028185260993
Energy: 1.6175268023050262
Energy: 1.5943920344214055
Energy: 1.6175268023040168
Energy: 1.5825569811197273
Energy: 1.5815345821684976
Energy: 1.652288711220526
Energy: 1.5815345821695068
Energy: 1.637524356963443
Energy: 1.6325352883336497
Energy: 1.901860984710224
Energy: 1.6325352883336497
Energy: 1.8952475472011243
Energy: 1.549421936453268
Energy: 1.6113274788220433
Energy: 1.5494219364542774
Energy: 1.7640338895522343
Energy: 1.5818352606345707
Energy: 1.8366839309460306
Energy: 1.5818352606365893
Energy: 1.6278067152122433
Energy: 1.5779383281014303
Energy: 1.9632508858124829
Energy: 1.5779383281024397
Energy: 1.5974730877936285
Energy: 1.6371984723018786
Energy: 1.5592367662613782
Energy: 1.6371984723008692
Energy: 1.9213282878798694
Energy: 1.6741851034181476
Energy: 1.6369466688913603
Energy: 1.6741851034171382
Energy: 1.6133170659108835
Energy: 1.6135737800896162
Energy: 1.9423291960222364
Energy: 1.6135737800906258
Energy: 1.6132003678595481
Energy: 1.6381339675667252
Energy: 1.705775360625284
Energy: 1.6381339675667252
Energy: 1.920615538932575
Energy: 1.6581527599510653
Energy: 1.692254821444755
Energy: 1.6581527599520747
Energy: 1.6129714400239428
Energy: 1.6138286993826998
Energy: 1.6684027921013898
Energy: 1.6138286993826998
Energy: 1.6136536450704888
Energy: 1.5738722884974388
Energy: 1.9703202284539192
Energy: 1.5738722884984484
Energy: 1.9301026244238557
Energy: 1.6376661780661348
Energy: 1.558506376610565
Energy: 1.6376661780661348
Energy: 1.627950820729314
Energy: 1.5721036682827452
Energy: 1.6376805770711393
Energy: 1.5721036682847642
Energy: 1.6317326719765757
Energy: 1.6749985416672781
Energy: 1.870150227136157
Energy: 1.6749985416672781
Energy: 1.7629921450995303
Energy: 1.5505921320931915
Energy: 1.7230707444373732
Energy: 1.550592132092182
Energy: 2.0631210656891614
Energy: 1.54999280322878
Energy: 1.8202536802905727
Energy: 1.5499928032297894
Energy: 1.5778498134248544
Energy: 1.6817121608516337
Energy: 1.932257008719325
Energy: 1.6817121608516337
Energy: 1.5779729223271004
Energy: 1.6954080293424347
Energy: 1.6169387657294145
Energy: 1.6954080293434441
Energy: 1.9007354796822165
Energy: 1.6173690604674857
Energy: 1.617025181187687
Energy: 1.6173690604664765
Energy: 1.8186212518391573
Energy: 1.5634180693193835
Energy: 1.9458112002433483
Energy: 1.563418069320393
Energy: 1.8185893718212953
Energy: 1.563480615849495
Energy: 1.898370001070917
Energy: 1.5634806158484855
Energy: 1.8972967100682396
Energy: 1.6173858393321632
Energy: 1.6169234904474534
Energy: 1.6173858393321632
Energy: 1.578058166561072
Energy: 1.6382769142121798
Energy: 1.6176337799646934
Energy: 1.638276914213189
Energy: 1.5784240023328084
Energy: 1.5783413328445968
Energy: 1.9376210468605932
Energy: 1.5783413328445968
Energy: 1.8785463105598905
Energy: 1.6713811149127256
Energy: 1.8227108504220053
Energy: 1.6713811149127256
Energy: 1.7099573145958644
Energy: 1.549679915861863
Energy: 1.6086851901968058
Energy: 1.549679915861863

minimum gb energy = 1.549421936453268 eV
minimum distance =  2.64800911294258 Angstroms
sigma value = 53


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

Energy: 1.578536363082748
Energy: 1.5808538801364753
Energy: 1.8636253472604944
Energy: 1.5808538801364753
Energy: 1.7105100353252802
Energy: 1.5795522075097301
Energy: 1.5789875810268295
Energy: 1.5795522075097301
Energy: 2.224984040005909
Energy: 1.7408260319649904
Energy: 1.7693981406823032
Energy: 1.7408260319649904
Energy: 1.7693846242478328
Energy: 1.740755569043714
Energy: 2.225174830432096
Energy: 1.740755569043714
Energy: 1.5789974289233937
Energy: 1.5794012310859895
Energy: 1.710498406067151
Energy: 1.5794012310859895
Energy: 3.4294985659427337
Energy: 1.5808538801364753
Energy: 1.578536363082748
Energy: 1.5808538801364753
Energy: 1.5789875810268295
Energy: 1.5795522075097301
Energy: 1.7105100353252802
Energy: 1.5795522075097301
Energy: 1.7693981406799792
Energy: 1.7408260319649904
Energy: 2.224984040005909
Energy: 1.7408260319649904
Energy: 2.225174830432096
Energy: 1.740755569043714
Energy: 1.7693846242478328
Energy: 1.740755569043714
Energy: 1.710498406067151
Energy: 1.5794012310859895
Energy: 1.5789974289233937
Energy: 1.5794012310859895
Energy: 1.578536363082748
Energy: 1.5808538801364753
Energy: 1.863625353139454
Energy: 1.5808538801364753
Energy: 1.7105100353252802
Energy: 1.5795522075097301
Energy: 1.5789875810291534
Energy: 1.5795522075097301
Energy: 2.224984040005909
Energy: 1.7408260319649904
Energy: 1.7693981406823032
Energy: 1.7408260319649904

minimum gb energy = 1.578536363082748 eV
minimum distance =  2.64193654801522 Angstroms
sigma value = 9


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

Energy: 1.85238416683403
Energy: 1.7131792556986616
Energy: 1.9477107490792105
Energy: 1.7131792556986616
Energy: 2.135455065766265
Energy: 1.689026528475394
Energy: 1.9016653047317345
Energy: 1.689026528475394
Energy: 1.7646799479956607
Energy: 1.6644296781627224
Energy: 1.6643337854414844
Energy: 1.6644296781618624
Energy: 1.6822867457093862
Energy: 1.6952573508313988
Energy: 1.8248026380937559
Energy: 1.6952573508313988
Energy: 1.7636371137739033
Energy: 1.6474983762294746
Energy: 2.106897214420364
Energy: 1.6474983762277544
Energy: 2.063561817075955
Energy: 1.8043912467631764
Energy: 1.8473447805459398
Energy: 1.8043912467631764
Energy: 1.8565424357061648
Energy: 1.7768874678244901
Energy: 2.1206833571067887
Energy: 1.7768874678236302
Energy: 1.6473313843582702
Energy: 1.7055938588290191
Energy: 1.7795803430073587
Energy: 1.705593858828159
Energy: 1.772969014102446
Energy: 1.6645837585544696
Energy: 1.71398768445977
Energy: 1.6645837585561896
Energy: 1.8556241317810156
Energy: 1.664802578857685
Energy: 1.8047456154290449
Energy: 1.664802578857685
Energy: 1.6793478035254656
Energy: 1.8155788634033219
Energy: 2.036287827700005
Energy: 1.8155788634041818
Energy: 2.1462078869637997
Energy: 1.711334902949692
Energy: 1.7715977667252014
Energy: 1.711334902949692
Energy: 1.7501425000283128
Energy: 1.6845134014214165
Energy: 1.6871671924817209
Energy: 1.684513401418836
Energy: 1.7624407768852401
Energy: 1.7606529763275605
Energy: 1.9052501699346966
Energy: 1.7606529763301406
Energy: 1.7676516488648752
Energy: 1.7057463964333395
Energy: 1.6841258865451672
Energy: 1.7057463964316188
Energy: 2.0818433817652924
Energy: 1.6845504388705739
Energy: 1.6913461358898092
Energy: 1.6845504388714339
Energy: 1.9063278900604983
Energy: 1.6848157485149635
Energy: 2.1751728460498603
Energy: 1.6848157485141035
Energy: 1.6820878418852965
Energy: 1.8171795907173869
Energy: 1.8004023427990783
Energy: 1.8171795907165271
Energy: 2.136505308935028
Energy: 1.7964399747010502
Energy: 1.749178720524527
Energy: 1.7964399747027702
Energy: 1.7053047554837069
Energy: 1.6843665345466585
Energy: 1.7094506281793036
Energy: 1.6843665345483787
Energy: 1.6464476851534366
Energy: 1.7058125986777477
Energy: 1.7404224408197406
Energy: 1.7058125986777477
Energy: 2.043000777232679
Energy: 1.6473539316359358
Energy: 1.844304406516747
Energy: 1.6473539316350758
Energy: 1.9043059465520205
Energy: 1.8116761637002763
Energy: 1.8463976575559147
Energy: 1.8116761637011365
Energy: 1.76380506508015
Energy: 1.8102993835569108
Energy: 2.028310462381111
Energy: 1.8102993835569108
Energy: 1.6810655131645809
Energy: 1.705820533738485
Energy: 1.6641204120773359
Energy: 1.7058205337367651
Energy: 1.992908132840026
Energy: 1.7415375410376788
Energy: 1.6645826273667996
Energy: 1.7415375410376788
Energy: 2.107582036119508
Energy: 1.6431992217549896
Energy: 2.1091995424161674
Energy: 1.6431992217541294
Energy: 1.8519651487558126
Energy: 1.6430728818744342
Energy: 2.1091359231781284
Energy: 1.6430728818718539
Energy: 2.06820809356763
Energy: 1.7425885569710535
Energy: 1.7332773035340459
Energy: 1.7425885569693336
Energy: 1.6811615050905744
Energy: 1.7061804406270176
Energy: 1.6641685570360976
Energy: 1.7061804406261574
Energy: 1.7501284887389248
Energy: 1.8067316138564393
Energy: 2.070675825581904
Energy: 1.8067316138564393
Energy: 1.904601033111424
Energy: 1.6471440338566732
Energy: 1.8499958202595217
Energy: 1.6471440338566732
Energy: 2.184749128721451
Energy: 1.6474295341617213
Energy: 1.8441110358372164
Energy: 1.6474295341634415
Energy: 1.646708406435883
Energy: 1.706348707208304
Energy: 2.1131175100108988
Energy: 1.706348707210024
Energy: 1.674710259485986
Energy: 1.6845881858594922
Energy: 1.7089564889228805
Energy: 1.684588185857772

minimum gb energy = 1.6430728818718539 eV
minimum distance =  2.58778761993903 Angstroms
sigma value = 73


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

Energy: 1.9193267336689435
Energy: 1.8176246186175384
Energy: 2.0025854849382987
Energy: 1.817624618618903
Energy: 1.962855528517581
Energy: 1.7284210161184586
Energy: 1.8142637667934713
Energy: 1.7284210161184586
Energy: 1.8062190720510125
Energy: 1.7500584585520151
Energy: 1.6384659797376326
Energy: 1.7500584585520151
Energy: 1.6999107679007044
Energy: 1.6732820451579793
Energy: 1.836337075892621
Energy: 1.6732820451579793
Energy: 1.9182079373118355
Energy: 1.6732701770873095
Energy: 1.9399180954268849
Energy: 1.6732701770873095
Energy: 2.2392114046950597
Energy: 1.8449268558131107
Energy: 1.6509961243626667
Energy: 1.8449268558131107
Energy: 1.7574342892717771
Energy: 1.7319691828963257
Energy: 2.0123765559261946
Energy: 1.7319691828963257
Energy: 1.6744236948318625
Energy: 1.6732812275995077
Energy: 1.813162649946972
Energy: 1.6732812275995077
Energy: 2.027051871486875
Energy: 1.7492930191575
Energy: 1.8123188346350545
Energy: 1.7492930191588647
Energy: 1.6729326387298311
Energy: 1.7494405234628683
Energy: 1.8127909628483538
Energy: 1.7494405234628683
Energy: 1.6729693891839614
Energy: 1.6732040333077887
Energy: 1.814124512023235
Energy: 1.6732040333077887
Energy: 2.0932621876209025
Energy: 1.6732733680910583
Energy: 1.9679922504637857
Energy: 1.6732733680910583
Energy: 1.9115340929995137
Energy: 1.6731761734151667
Energy: 1.6493679213731902
Energy: 1.6731761734151667
Energy: 1.762091686633204
Energy: 1.879690012160686
Energy: 2.2258930813887283
Energy: 1.8796900121593216
Energy: 1.6993836083916667
Energy: 1.6732152652430756
Energy: 1.6835146397694296
Energy: 1.6732152652444403
Energy: 1.8750691156954233
Energy: 1.7499177850535477
Energy: 1.638800606016601
Energy: 1.7499177850535477
Energy: 1.9015145217391172
Energy: 1.649349585168555
Energy: 2.2230787508192287
Energy: 1.649349585168555
Energy: 1.9017504135968937
Energy: 1.649607117080393
Energy: 2.2222088816045265
Energy: 1.649607117080393
Energy: 2.08588351318825
Energy: 1.749597663437118
Energy: 1.6837797950187863
Energy: 1.749597663437118
Energy: 1.6995462568162925
Energy: 1.6736077235536875
Energy: 1.6386823533384371
Energy: 1.673607723555052
Energy: 1.806393246320957
Energy: 1.8529690486158215
Energy: 2.262543372171213
Energy: 1.8529690486158215
Energy: 1.9114971461702206
Energy: 1.673236318562796
Energy: 1.6492126873676707
Energy: 1.6732363185641608

minimum gb energy = 1.6384659797376326 eV
minimum distance =  2.5965771449407 Angstroms
sigma value = 7


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

Energy: 2.115953669329419
Energy: 1.858271608384798
Energy: 1.9853590016385154
Energy: 1.8582716083838333
Energy: 2.023462070493689
Energy: 1.7432900610885689
Energy: 1.7542505841673466
Energy: 1.7432900610876039
Energy: 1.7357355611306948
Energy: 1.7052350862924799
Energy: 1.7061487634898658
Energy: 1.7052350862924799
Energy: 1.742034252445754
Energy: 1.6429452811579925
Energy: 1.7064660177359616
Energy: 1.6429452811579925
Energy: 1.8601849947529827
Energy: 1.705924187535879
Energy: 1.6424105307247132
Energy: 1.705924187536844
Energy: 2.4310402073552435
Energy: 1.6428979974649671
Energy: 1.6452943274387308
Energy: 1.6428979974658882
Energy: 1.6999853829909548
Energy: 1.75308515203585
Energy: 2.1569815390512495
Energy: 1.753085152034885
Energy: 1.644941934293613
Energy: 1.6430509112614242
Energy: 1.8537995844668256
Energy: 1.6430509112614242
Energy: 2.1690840362785977
Energy: 1.7057227366623724
Energy: 1.7057067636254857
Energy: 1.7057227366614074
Energy: 1.705786605335407
Energy: 1.6432492067462618
Energy: 1.7424820408822095
Energy: 1.6432492067462618
Energy: 1.7054850581968393
Energy: 1.7058941504755907
Energy: 2.087812373067534
Energy: 1.7058941504755907
Energy: 2.331709401970937
Energy: 1.642850008685421
Energy: 1.9901796928382065
Energy: 1.6428500086844562
Energy: 2.314583164280019
Energy: 1.643268260271685
Energy: 1.9905818878031662
Energy: 1.64326826027072
Energy: 1.7061042285152161
Energy: 1.7069790400568878
Energy: 2.209361769916003
Energy: 1.7069790400568878
Energy: 1.7055724257461014
Energy: 1.6425275074173165
Energy: 1.7354572752659823
Energy: 1.6425275074173165
Energy: 2.16926671679053
Energy: 1.844210845215462
Energy: 1.7530318292379359
Energy: 1.844210845215462
Energy: 1.6420723091616658
Energy: 1.642790758056607
Energy: 1.8535532013743303
Energy: 1.642790758057572
Energy: 1.6423207163879647
Energy: 1.705621511019382
Energy: 2.194509230176262
Energy: 1.705621511019382
Energy: 2.453622592638623
Energy: 1.6429083441160959
Energy: 1.6421274324802702
Energy: 1.6429083441160959
Energy: 1.8542779586430043
Energy: 1.7055213356567172
Energy: 1.6422251209462282
Energy: 1.7055213356567172
Energy: 1.7358086671305084
Energy: 1.7537132249435972
Energy: 1.862983079752962
Energy: 1.7537132249445622
Energy: 1.735572547264856
Energy: 1.7069123410862868
Energy: 1.7116111317485139
Energy: 1.7069123410862868
Energy: 2.022546816451226
Energy: 1.741674801227813
Energy: 1.7551909039583597
Energy: 1.741674801227813
Energy: 1.988045311448792
Energy: 1.6431950330145584
Energy: 2.3139535739342025
Energy: 1.6431950330145584
Energy: 1.9891646975864075
Energy: 1.643333026709683
Energy: 1.7377097110766246
Energy: 1.6433330267106478
Energy: 1.8444711729297976
Energy: 1.705660845500784
Energy: 1.710990843017466
Energy: 1.705660845501749
Energy: 1.736988917928769
Energy: 1.643158926831249
Energy: 1.706523953566061
Energy: 1.643158926832214
Energy: 1.8540648404102475
Energy: 1.706426666496562
Energy: 2.0680904854102806
Energy: 1.706426666496562
Energy: 1.8536702701262493
Energy: 1.6427561051434214
Energy: 1.6418957206475278
Energy: 1.6427561051434214
Energy: 2.1233451394447753
Energy: 1.777753623794071
Energy: 2.1233509268516713
Energy: 1.777753623794071
Energy: 1.6419443013299941
Energy: 1.6428224727432053
Energy: 1.8536702701243193
Energy: 1.6428224727432053

minimum gb energy = 1.6418957206475278 eV
minimum distance =  2.6219950866832 Angstroms
sigma value = 29


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

Energy: 1.4848694352338168
Energy: 1.6041557097675563
Energy: 2.0428216034217956
Energy: 1.6041557097678925
Energy: 2.1035256671317173
Energy: 1.5879154139497444
Energy: 1.6020293939631531
Energy: 1.5879154139494085
Energy: 1.9423912898114526
Energy: 1.5586283167362858
Energy: 1.559261112216138
Energy: 1.5586283167362858
Energy: 2.174223296372868
Energy: 1.6046236529559381
Energy: 1.5592217964747563
Energy: 1.6046236529562745
Energy: 2.226627941147818
Energy: 1.559818324377887
Energy: 1.559032741768314
Energy: 1.5598183243775507
Energy: 1.9410639166644261
Energy: 1.5599315565821987
Energy: 1.5585329498495997
Energy: 1.5599315565825347
Energy: 1.760231196686181
Energy: 1.5585833898779458
Energy: 2.0024369667220054
Energy: 1.5585833898772734
Energy: 1.482338005634591
Energy: 1.560223211301308
Energy: 2.5667016507176497
Energy: 1.560223211301308
Energy: 2.1552513986805404
Energy: 1.6023913358509358
Energy: 1.6024981335307578
Energy: 1.602391335851272

minimum gb energy = 1.482338005634591 eV
minimum distance =  2.68916289188619 Angstroms
sigma value = 5


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

Energy: 1.8219167671884655
Energy: 1.6608619579378985
Energy: 2.2571806764063975
Energy: 1.66086195793881
Energy: 2.0582811230889537
Energy: 1.6231983790149282
Energy: 1.7663845961712539
Energy: 1.6231983790149282
Energy: 1.7061435908607443
Energy: 1.692285436690402
Energy: 1.6934716665972334
Energy: 1.6922854366894906
Energy: 1.7058308238668973
Energy: 1.705022474784816
Energy: 1.8536221291276695
Energy: 1.7050224747829932
Energy: 1.6144576042971472
Energy: 1.689571475003575
Energy: 1.6586144547807604
Energy: 1.689571475003575
Energy: 1.7914403272632873
Energy: 1.7287394987193063
Energy: 1.6543719995529582
Energy: 1.7287394987202178
Energy: 1.793474436796007
Energy: 1.671126805944483
Energy: 1.8615913941548454
Energy: 1.6711268059435715
Energy: 1.7965340963714416
Energy: 1.6717775486408324
Energy: 2.027118423938617
Energy: 1.6717775486417437
Energy: 2.277873317741994
Energy: 1.6448229887456305
Energy: 1.78388523795465
Energy: 1.6448229887456305
Energy: 2.124475730868444
Energy: 1.6450440093140946
Energy: 1.7872237130882727
Energy: 1.645044009315006
Energy: 1.6941148064684328
Energy: 1.6926600095967368
Energy: 1.877745036588501
Energy: 1.6926600095994713
Energy: 1.694972129392272
Energy: 1.6922007915995416
Energy: 1.653128444539423
Energy: 1.6922007916004531
Energy: 1.8957518996964646
Energy: 1.7608146951861066
Energy: 1.6516533343665887
Energy: 1.760814695187018
Energy: 1.6373934740969773
Energy: 1.6903602059003056
Energy: 1.651773206132114
Energy: 1.6903602059012168
Energy: 1.6705216745261953
Energy: 1.912322213877441
Energy: 1.9548912625016726
Energy: 1.912322213877441
Energy: 2.120618033209534
Energy: 1.673706947441221
Energy: 1.7831399432678439
Energy: 1.673706947441221
Energy: 1.9256457755897005
Energy: 1.6468641131725106
Energy: 1.9549358807558492
Energy: 1.6468641131734216
Energy: 1.6684109748084395
Energy: 1.6737140167432631
Energy: 2.032923499186801
Energy: 1.6737140167459974
Energy: 1.8137214971959532
Energy: 1.6669539847698231
Energy: 1.7400402064461469
Energy: 1.6669539847716461
Energy: 1.690600020544536
Energy: 1.7076834505085265
Energy: 1.6594239409918514
Energy: 1.707683450507615
Energy: 1.691623957276279
Energy: 1.7040680841991993
Energy: 1.7338822821645745
Energy: 1.7040680841991993
Energy: 1.8109688155178956
Energy: 1.689569949485187
Energy: 1.6741973289063883
Energy: 1.689569949485187
Energy: 1.7062546807896066
Energy: 1.691806331406722
Energy: 1.6750986907286507
Energy: 1.6918063314058105
Energy: 1.9608252715353964
Energy: 1.6430273932802195
Energy: 2.1991716384268205
Energy: 1.6430273932802195
Energy: 1.9570227548826367
Energy: 1.6436124863551709
Energy: 2.2735842776294843
Energy: 1.6436124863551709
Energy: 1.837152964694587
Energy: 1.6898787813693261
Energy: 1.674290426265507
Energy: 1.6898787813675031
Energy: 1.7106031384878835
Energy: 1.6908208220313077
Energy: 1.6752234864884932
Energy: 1.6908208220322194
Energy: 1.7487836269045496
Energy: 1.7053633183052497
Energy: 1.890562793770696
Energy: 1.7053633183043382
Energy: 1.6920508064067539
Energy: 1.692652496584215
Energy: 1.6556322758952688
Energy: 1.6926524965878607
Energy: 1.9553392332195518
Energy: 1.8337271938137512
Energy: 1.7350249517341538
Energy: 1.8337271938128399
Energy: 1.7917187318124193
Energy: 1.6733914870956859
Energy: 1.8592532928071672
Energy: 1.6733914870956859
Energy: 1.7943323093646566
Energy: 1.6324273808869763
Energy: 2.057377366758486
Energy: 1.6324273808869763
Energy: 2.273268815057289
Energy: 1.6481618327851046
Energy: 1.7825697354469603
Energy: 1.648161832784193

minimum gb energy = 1.6144576042971472 eV
minimum distance =  2.59306875274628 Angstroms
sigma value = 1


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

Energy: 1.6504724910951738
Energy: 1.588589220257769
Energy: 2.0786525892270564
Energy: 1.588589220257769
Energy: 1.5846072777534093
Energy: 1.657989379378071
Energy: 1.669926439126539
Energy: 1.657989379378071
Energy: 1.8617905244718298
Energy: 1.6583179163794444
Energy: 1.7486941093244566
Energy: 1.658317916378184
Energy: 1.6690015844454769
Energy: 1.6590778437265052
Energy: 1.703163739597966
Energy: 1.6590778437265052
Energy: 1.5990057293961462
Energy: 1.5879407018447813
Energy: 1.5991553128235074
Energy: 1.5879407018447813
Energy: 1.5998732424659619
Energy: 1.5998812746979891
Energy: 1.599039407099016
Energy: 1.5998812746979891
Energy: 1.7081883982601407
Energy: 1.6585141721730268
Energy: 1.8627861661383665
Energy: 1.6585141721730268
Energy: 1.707075206585525
Energy: 1.6584225312278902
Energy: 1.863302750347723
Energy: 1.6584225312278902
Energy: 2.187945071181567
Energy: 1.5880201763137218
Energy: 1.6140073753069446
Energy: 1.5880201763137218
Energy: 2.1879450711803066
Energy: 1.5881889647927656
Energy: 1.613733613980835
Energy: 1.5881889647927656
Energy: 1.7070662193184452
Energy: 1.658422912987199
Energy: 1.8633027503489834
Energy: 1.658422912987199
Energy: 1.7082062611070041
Energy: 1.6585264084208546
Energy: 1.8627861661371063
Energy: 1.6585264084208546
Energy: 1.6002460664614806
Energy: 1.5998490232314786
Energy: 1.5988847862018258
Energy: 1.5998490232314786
Energy: 1.5988901587825808
Energy: 1.5879314722483184
Energy: 1.5991914892935886
Energy: 1.5879314722483184
Energy: 1.6690889015737485
Energy: 1.6590692938992488
Energy: 1.7031688917947214
Energy: 1.6590692938992488
Energy: 1.8617905244718298
Energy: 1.658315402775322
Energy: 1.748725304806412
Energy: 1.658315402775322
Energy: 1.5847438969558254
Energy: 1.6579367676012933
Energy: 1.669928981425626
Energy: 1.6579367676025538
Energy: 1.6504724910951738
Energy: 1.588589220257769
Energy: 2.078652588330144
Energy: 1.588589220257769
Energy: 1.5846072777534093
Energy: 1.657989379378071
Energy: 1.669926439126539
Energy: 1.657989379378071
Energy: 1.8617905244730901
Energy: 1.6583179163794444
Energy: 1.7486941093244566
Energy: 1.6583179163794444
Energy: 1.6690015844454769
Energy: 1.6590778437265052
Energy: 1.703163739597966
Energy: 1.6590778437265052
Energy: 1.5990057293961462
Energy: 1.5879407018447813
Energy: 1.5991553128235074
Energy: 1.5879407018447813
Energy: 1.5998732424659619
Energy: 1.5998812746979891
Energy: 1.599039407099016
Energy: 1.5998812746979891
Energy: 1.7081883982601407
Energy: 1.6585141721730268
Energy: 1.8627861661383665
Energy: 1.6585141721730268

minimum gb energy = 1.5846072777534093 eV
minimum distance =  2.61388533646057 Angstroms
sigma value = 17


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

Energy: 1.895525301343165
Energy: 1.6353936941129608
Energy: 2.3918007482837456
Energy: 1.6353936941098448
Energy: 1.8508260441813873
Energy: 1.7325583200927424
Energy: 1.7938358172310214
Energy: 1.7325583200927424
Energy: 1.6677256363331836
Energy: 1.6363377098340564
Energy: 1.658229170313921
Energy: 1.6363377098348355
Energy: 1.6444257258157389
Energy: 1.649695067646043
Energy: 1.8464906810502675
Energy: 1.6496950676468218
Energy: 1.676375032455916
Energy: 1.6291925059016106
Energy: 1.662044545339844
Energy: 1.6291925059023897
Energy: 1.691610081855652
Energy: 1.667025583063374
Energy: 1.662798545938403
Energy: 1.667025583064153
Energy: 1.6449000141464383
Energy: 1.6438860275212406
Energy: 1.6297238227771984
Energy: 1.6438860275212406
Energy: 1.643324493853048
Energy: 1.643485334999993
Energy: 1.6761374608877118
Energy: 1.6434853349984353
Energy: 1.9398100323082144
Energy: 1.616298216833347
Energy: 1.8624946865850682
Energy: 1.6162982168302311
Energy: 1.9927106588052337
Energy: 1.6162685835848885
Energy: 1.859905348950675
Energy: 1.6162685835833306
Energy: 1.7204685917099984
Energy: 1.619722350214032
Energy: 1.959354162132912
Energy: 1.6197223502148113
Energy: 1.7174226588507044
Energy: 1.6195432557498863
Energy: 1.7428935013337359
Energy: 1.6195432557483282
Energy: 1.701080846537018
Energy: 1.6509967469799696
Energy: 1.663237844611335
Energy: 1.6509967469791909
Energy: 1.6414574456500657
Energy: 1.6291848742482886
Energy: 1.6617902789151424
Energy: 1.6291848742498467
Energy: 1.6420715135148796
Energy: 1.6770538261374326
Energy: 1.6701631602943918
Energy: 1.6770538261366534
Energy: 1.6460604939508838
Energy: 1.6441359151123769
Energy: 1.6570292019840565
Energy: 1.6441359151123769
Energy: 1.861462817581793
Energy: 1.621324432775541
Energy: 1.7119369902386399
Energy: 1.621324432777099
Energy: 1.7158901742973158
Energy: 1.6337612203583813
Energy: 1.9648047140517275
Energy: 1.6337612203583813
Energy: 1.7542882444929708
Energy: 1.6089719128545588
Energy: 1.7512293193002173
Energy: 1.6089719128553377
Energy: 2.1284163278296564
Energy: 1.6286281627103791
Energy: 1.7181810132270516
Energy: 1.6286281627103791
Energy: 1.7494418842141197
Energy: 1.7786841199394192
Energy: 1.9333282477119853
Energy: 1.7786841199378614
Energy: 1.645474073998885
Energy: 1.6294219385592377
Energy: 1.6390663117890651
Energy: 1.6294219385592377
Energy: 1.774832888785489
Energy: 1.6683057442596605
Energy: 1.7172056164333074
Energy: 1.6683057442612184
Energy: 1.6331965210078532
Energy: 1.6441205541238368
Energy: 1.6138561733616623
Energy: 1.6441205541176052
Energy: 1.636868506761417
Energy: 1.6778786990981902
Energy: 1.7416735626805593
Energy: 1.6778786990989694
Energy: 1.6689865183044432
Energy: 1.629876623027931
Energy: 1.6411298051999856
Energy: 1.62987662302871
Energy: 1.7824773078705132
Energy: 1.6302669864409591
Energy: 1.7226079747076766
Energy: 1.6302669864409591
Energy: 1.852213862566419
Energy: 1.5977657845854625
Energy: 2.2209250914225978
Energy: 1.5977657845877993
Energy: 1.8562901771257332
Energy: 1.5983879831897618
Energy: 2.014279459571962
Energy: 1.5983879831897618
Energy: 1.6673821472963928
Energy: 1.6301971640936046
Energy: 1.6408635417680182
Energy: 1.630197164090489
Energy: 1.6713697724635572
Energy: 1.6303396954278226
Energy: 1.7227387761143038
Energy: 1.6303396954262648
Energy: 1.6331350971948049
Energy: 1.675766172785267
Energy: 1.6613128710228282
Energy: 1.6757661727829303
Energy: 1.636610849104165
Energy: 1.6449981745777322
Energy: 1.611135057028081
Energy: 1.64499817457929
Energy: 1.76912848242775
Energy: 1.6496027702090101
Energy: 1.6398790795758111
Energy: 1.6496027702097893
Energy: 1.6433755864448039
Energy: 1.6303717172838972
Energy: 1.6765455032192078
Energy: 1.6303717172831182
Energy: 1.7889718408972681
Energy: 1.604791250081595
Energy: 1.8362370210731738
Energy: 1.6047912500808164
Energy: 2.1947622942632705
Energy: 1.6205630252652563
Energy: 1.7172453481806464
Energy: 1.6205630252668142
Energy: 1.84456118984696
Energy: 1.6074239205143213
Energy: 1.8497108233057158
Energy: 1.6074239205127638

minimum gb energy = 1.5977657845854625 eV
minimum distance =  2.6130816906988 Angstroms
sigma value = 89


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

Energy: 1.7599024912171322
Energy: 1.5243904631352259
Energy: 2.0345582387714365
Energy: 1.5243904631352259
Energy: 1.6313273298670545
Energy: 1.544085113435534
Energy: 1.6944260530366209
Energy: 1.544085113435534
Energy: 1.7913517942608124
Energy: 1.5116019173016124
Energy: 1.531677540686761
Energy: 1.5116019173016124
Energy: 1.5968304529356023
Energy: 1.5958296306929107
Energy: 1.7915962946159163
Energy: 1.5958296306929107
Energy: 1.6138876275769953
Energy: 1.5767654367758686
Energy: 1.584559195604175
Energy: 1.5767654367758686
Energy: 1.5850737546374576
Energy: 1.78023107551825
Energy: 1.5847533899125936
Energy: 1.7802310755202881
Energy: 1.588473192461569
Energy: 1.5116335679590478
Energy: 1.5840665566449381
Energy: 1.5116335679590478
Energy: 1.5864286858362833
Energy: 1.5918423204803396
Energy: 1.799204369173828
Energy: 1.5918423204803396
Energy: 1.7924015146637045
Energy: 1.5769990477483578
Energy: 1.5074159252605768
Energy: 1.5769990477483578
Energy: 1.5853104686650386
Energy: 1.5778858253225418
Energy: 1.5066760496582623
Energy: 1.5778858253225418
Energy: 1.691046384378668
Energy: 1.5117204310736774
Energy: 1.7991125148252778
Energy: 1.5117204310716394
Energy: 1.690764868132001
Energy: 1.5127724917216
Energy: 1.7994690317987736
Energy: 1.5127724917216
Energy: 1.7925864978625345
Energy: 1.5768803320221585
Energy: 1.5072965023058558
Energy: 1.5768803320221585
Energy: 1.7913806676010682
Energy: 1.5783032340005172
Energy: 1.507119345588657
Energy: 1.5783032340025551
Energy: 1.587121851401827
Energy: 1.5772471884116952
Energy: 1.799203583628344
Energy: 1.5772471884116952

minimum gb energy = 1.5066760496582623 eV
minimum distance =  2.6143569215637 Angstroms
sigma value = 13


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

Energy: 1.6011653661445229
Energy: 1.4808497212571823
Energy: 1.9834893075750433
Energy: 1.4808497212580365
Energy: 1.7082978542619536
Energy: 1.4776244612389648
Energy: 1.5251083015541786
Energy: 1.4776244612389648
Energy: 1.6474434224057526
Energy: 1.4494298637463177
Energy: 1.5847060090183895
Energy: 1.4494298637463177
Energy: 1.5683442778859649
Energy: 1.476123306506638
Energy: 1.5249890508002641
Energy: 1.4761233065057837
Energy: 1.4947467470686129
Energy: 1.482052556620271
Energy: 1.5439371929326884
Energy: 1.4820525566211251
Energy: 1.6572629263308476
Energy: 1.4825582876256473
Energy: 1.5741560671371824
Energy: 1.4825582876256473
Energy: 1.5258316801805514
Energy: 1.4495416867304902
Energy: 1.5371651389481091
Energy: 1.4495416867304902
Energy: 1.5315320559312877
Energy: 1.512050951627654
Energy: 1.525271701544802
Energy: 1.512050951627654
Energy: 1.5353233056941624
Energy: 1.4819705254814552
Energy: 1.4838713820656244
Energy: 1.481970525480601
Energy: 1.7514205590581537
Energy: 1.4827513611918166
Energy: 1.5978125871582871
Energy: 1.4827513611918166
Energy: 1.5609264841678232
Energy: 1.449370027817261
Energy: 1.6395574408251927
Energy: 1.4493700278164066
Energy: 1.5527350961680235
Energy: 1.4504484321143216
Energy: 1.52534395580449
Energy: 1.4504484321134672
Energy: 1.63932100083623
Energy: 1.4745369024802055
Energy: 1.5701675871056164
Energy: 1.4745369024819142
Energy: 1.6258739743582897
Energy: 1.4766935636237104
Energy: 1.7361500867757582
Energy: 1.4766935636237104
Energy: 1.5609434963889322
Energy: 1.449687236026176
Energy: 1.63814408043891
Energy: 1.4496872360278845
Energy: 1.5525138380596215
Energy: 1.450486535335402
Energy: 1.6480391398534902
Energy: 1.450486535335402
Energy: 1.6401979648424343
Energy: 1.482327084857554
Energy: 1.4839727849718332
Energy: 1.482327084857554
Energy: 1.5436443985800923
Energy: 1.4827324728009346
Energy: 1.5984855578100268
Energy: 1.4827324728017888
Energy: 1.5256800842521538
Energy: 1.4501622782880077
Energy: 1.5337115828015284
Energy: 1.4501622782880077
Energy: 1.5338835798965067
Energy: 1.4501499674773213
Energy: 1.5257127432524127
Energy: 1.450149967476467
Energy: 1.5984757580555826
Energy: 1.48271579637665
Energy: 1.5435790646668248
Energy: 1.48271579637665
Energy: 1.4840133791778922
Energy: 1.4822991953609235
Energy: 1.640197964844997
Energy: 1.4822991953600693
Energy: 1.6480391398543446
Energy: 1.4502455955001892
Energy: 1.552445784617191
Energy: 1.450245595499335
Energy: 1.638144080435493
Energy: 1.4496850385565958
Energy: 1.5610645763682818
Energy: 1.4496850385557414
Energy: 1.7363922948417465
Energy: 1.4767620853341439
Energy: 1.6258833353614917
Energy: 1.476762085334998
Energy: 1.5704040538371078
Energy: 1.4746437107523815
Energy: 1.6393210008345216
Energy: 1.4746437107515273
Energy: 1.525375957353756
Energy: 1.4506331432951858
Energy: 1.5525321160805299
Energy: 1.4506331432951858
Energy: 1.6395574408269014
Energy: 1.4493707059516296
Energy: 1.5609183931133814
Energy: 1.4493707059516296
Energy: 1.5978137987361951
Energy: 1.482778351203808
Energy: 1.751641169957847
Energy: 1.4827783512029538
Energy: 1.4838954183056896
Energy: 1.4819683268472148
Energy: 1.5353145415278273
Energy: 1.4819683268472148
Energy: 1.5251443079676639
Energy: 1.512105538388387
Energy: 1.5315143432862017
Energy: 1.5121055383875328
Energy: 1.5374750058558215
Energy: 1.4495299282014504
Energy: 1.5259898586774496
Energy: 1.4495299282014504
Energy: 1.5744945772447625
Energy: 1.4832458684821508
Energy: 1.6571918121591116
Energy: 1.4832458684821508
Energy: 1.5438892572409855
Energy: 1.4820450473412492
Energy: 1.494731557251325
Energy: 1.482045047340395
Energy: 1.5250863564830042
Energy: 1.4761352708051918
Energy: 1.5683805464620615
Energy: 1.4761352708051918

minimum gb energy = 1.4493700278164066 eV
minimum distance =  2.63995039408336 Angstroms
sigma value = 37


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

Energy: 1.5951361476351635
Energy: 1.3853905547553025
Energy: 1.9047202244988064
Energy: 1.3853905547538328
Energy: 1.6322739681851595
Energy: 1.4138808347696235
Energy: 1.4881048192797053
Energy: 1.4138808347696235
Energy: 1.6295956769389284
Energy: 1.3548178356018612
Energy: 1.5294549905112855
Energy: 1.354817835603331
Energy: 1.53735854897601
Energy: 1.4250335770062261
Energy: 1.5380219265302175
Energy: 1.4250335770062261
Energy: 1.476984821043546
Energy: 1.3520347797742238
Energy: 1.6197129937747177
Energy: 1.3520347797742238
Energy: 1.5924489925166219
Energy: 1.3997466410363693
Energy: 1.5125711207820167
Energy: 1.3997466410363693
Energy: 1.4794775171225176
Energy: 1.3549178003886426
Energy: 1.4723154985257123
Energy: 1.3549178003901126
Energy: 1.4793013829171415
Energy: 1.528433557435787
Energy: 1.5658590985458454
Energy: 1.528433557434317
Energy: 1.4875280657813161
Energy: 1.3519335675896884
Energy: 1.5039725927744387
Energy: 1.3519335675911248
Energy: 1.5924205519498391
Energy: 1.3997587448953825
Energy: 1.5054964559740884
Energy: 1.3997587448953825
Energy: 1.4414548247768724
Energy: 1.3548193614370696
Energy: 1.5491877660816853
Energy: 1.3548193614370696
Energy: 1.4554376234685626
Energy: 1.4036625953541861
Energy: 1.62376786280859
Energy: 1.4036625953541861
Energy: 1.6291882497243726
Energy: 1.3524106597630665
Energy: 1.5211912011431596
Energy: 1.3524106597630665
Energy: 1.434068255281931
Energy: 1.355023893497684
Energy: 1.5219220709780223
Energy: 1.355023893497684
Energy: 1.5297401233880994
Energy: 1.3838152504735077
Energy: 1.6183579419187584
Energy: 1.3838152504735077
Energy: 1.5258756933895137
Energy: 1.3946779395511715
Energy: 1.5590555319314743
Energy: 1.3946779395511715
Energy: 1.6293771395680618
Energy: 1.3526064741113988
Energy: 1.5212458672451898
Energy: 1.3526064741113988
Energy: 1.5363630686335963
Energy: 1.355601919522493
Energy: 1.5221468980991852
Energy: 1.355601919522493
Energy: 1.4413842096910894
Energy: 1.354952614130898
Energy: 1.6185320648560333
Energy: 1.354952614130898
Energy: 1.4425401909215838
Energy: 1.4031048744427146
Energy: 1.621503727334607
Energy: 1.4031048744427146

minimum gb energy = 1.3519335675896884 eV
minimum distance =  2.62669398314709 Angstroms
sigma value = 25


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

Energy: 1.5050246464959776
Energy: 1.2659433801128441
Energy: 1.6860230012883128
Energy: 1.2659433801128441
Energy: 1.4433641696898045
Energy: 1.3768605055090086
Energy: 1.4407154823847106
Energy: 1.376860505507861
Energy: 1.4535749105400841
Energy: 1.240814693656897
Energy: 1.4673757671819148
Energy: 1.240814693656897
Energy: 1.3970714303854788
Energy: 1.2557159164319267
Energy: 1.4665851351437367
Energy: 1.2557159164330742
Energy: 1.4034117134469721
Energy: 1.2269379315342355
Energy: 1.4417951785077163
Energy: 1.2269379315342355
Energy: 1.3971801918044853
Energy: 1.2525240014635108
Energy: 1.432962525022721
Energy: 1.2525240014658063
Energy: 1.366699329507789
Energy: 1.2265537156482536
Energy: 1.4010091689993622
Energy: 1.2265537156482536
Energy: 1.4008258061042929
Energy: 1.253341576427298
Energy: 1.4527916495421864
Energy: 1.2533415764261504
Energy: 1.3597993159419814
Energy: 1.22712542243785
Energy: 1.3854751001666292
Energy: 1.22712542243785
Energy: 1.4337440220475877
Energy: 1.3187809678980316
Energy: 1.4000756145623796
Energy: 1.3187809678980316
Energy: 1.3496760032806359
Energy: 1.2264986182089772
Energy: 1.395539111813318
Energy: 1.2264986182089772
Energy: 1.39615810513415
Energy: 1.253489257240247
Energy: 1.4324665925018047
Energy: 1.2534892572413947
Energy: 1.3692898998020262
Energy: 1.2271743408456974
Energy: 1.3658588219826802
Energy: 1.2271743408456974
Energy: 1.498408227781348
Energy: 1.252571447205459
Energy: 1.3532409243910464
Energy: 1.252571447205459
Energy: 1.3683881896282475
Energy: 1.2266188941050513
Energy: 1.4445250584155882
Energy: 1.2266188941039033
Energy: 1.3907779838421888
Energy: 1.2267364820919895
Energy: 1.4414149332480424
Energy: 1.226736482090842
Energy: 1.4491206589865344
Energy: 1.240021508064118
Energy: 1.3528514304805805
Energy: 1.240021508064118
Energy: 1.340560463086749
Energy: 1.281582072784281
Energy: 1.3524924795845923
Energy: 1.281582072784281
Energy: 1.3817091586102037
Energy: 1.2637949292056696
Energy: 1.4412859965654405
Energy: 1.2637949292068171
Energy: 1.443345653392231
Energy: 1.2651647521257448
Energy: 1.3880258743479637
Energy: 1.2651647521257448
Energy: 1.4488246687935802
Energy: 1.238899548933419
Energy: 1.3531501512128967
Energy: 1.238899548933419
Energy: 1.4172775908590785
Energy: 1.2541026646152242
Energy: 1.3856244093868286
Energy: 1.2541026646152242
Energy: 1.3685144291791567
Energy: 1.2267704374229285
Energy: 1.4413534707372113
Energy: 1.2267704374229285
Energy: 1.4241703520444338
Energy: 1.2260977967651918
Energy: 1.4190897915159766
Energy: 1.2260977967651918
Energy: 1.3664647333484183
Energy: 1.227260353627076
Energy: 1.3658651509299613
Energy: 1.227260353627076
Energy: 1.4598929048767602
Energy: 1.2517773354496549
Energy: 1.3533905605918313
Energy: 1.2517773354485073

minimum gb energy = 1.2260977967651918 eV
minimum distance =  2.63928376076383 Angstroms
sigma value = 41


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

Energy: 1.4498209372066038
Energy: 1.173640841628908
Energy: 1.5245322917685247
Energy: 1.173640841628908
Energy: 1.296688968786566
Energy: 1.190502813823823
Energy: 1.317557744671018
Energy: 1.1905028138228824
Energy: 1.322963523213582
Energy: 1.1462027650791304
Energy: 1.3883953380728806
Energy: 1.146202765080071
Energy: 1.3187535885343813
Energy: 1.2394112580207226
Energy: 1.3175501814885142
Energy: 1.2394112580207226
Energy: 1.3694354279706396
Energy: 1.1302581456804737
Energy: 1.3136436342246054
Energy: 1.1302581456795326
Energy: 1.319280764446573
Energy: 1.151581261523248
Energy: 1.2951645266775447
Energy: 1.151581261521366
Energy: 1.326611622347156
Energy: 1.1230947708472356
Energy: 1.3230117903261283
Energy: 1.1230947708472356
Energy: 1.3177650364999585
Energy: 1.1572277067164722
Energy: 1.2948129262714017
Energy: 1.1572277067174133
Energy: 1.324686246454161
Energy: 1.1229898723760126
Energy: 1.282234687952101
Energy: 1.1229898723760126
Energy: 1.3180234669086461
Energy: 1.1960211437536494
Energy: 1.3125314044743648
Energy: 1.1960211437517674
Energy: 1.3018573335806631
Energy: 1.1234252828406115
Energy: 1.2883239776027922
Energy: 1.123425282842493
Energy: 1.2976185684102404
Energy: 1.1767918019515708
Energy: 1.3119450530813273
Energy: 1.17679180195063
Energy: 1.3109949011921154
Energy: 1.123054316155597
Energy: 1.279001178106004
Energy: 1.1230543161537154
Energy: 1.3174522070934647
Energy: 1.1388126542083834
Energy: 1.2985264954883164
Energy: 1.1388126542102652
Energy: 1.2924125418312276
Energy: 1.1233881241033445
Energy: 1.2875066712288754
Energy: 1.1233881241033445
Energy: 1.2710588160880782
Energy: 1.1389991057083195
Energy: 1.3371996827077075
Energy: 1.1389991057092603
Energy: 1.3321183294811425
Energy: 1.1229382344338232
Energy: 1.2911551868630116
Energy: 1.122938234435705
Energy: 1.314029590871922
Energy: 1.1232890082097735
Energy: 1.2626756299108786
Energy: 1.1232890082107145
Energy: 1.2504555366746002
Energy: 1.1291952651781256
Energy: 1.315566009964568
Energy: 1.1291952651781256
Energy: 1.2539067490380609
Energy: 1.2228365587672594
Energy: 1.2597933152464482
Energy: 1.2228365587682002
Energy: 1.319280773874282
Energy: 1.1440894555017802
Energy: 1.2633318084005876
Energy: 1.1440894555017802
Energy: 1.2602847612238923
Energy: 1.1756523854382166
Energy: 1.3122226567631048
Energy: 1.1756523854410392
Energy: 1.300513236574791
Energy: 1.1723688856460832
Energy: 1.3186878890368707
Energy: 1.1723688856442016
Energy: 1.333344314516591
Energy: 1.180095949538783
Energy: 1.2952975802596902
Energy: 1.1800959495378422
Energy: 1.3186099485919456
Energy: 1.1440978722523456
Energy: 1.2633849753573858
Energy: 1.1440978722523456
Energy: 1.3141769029764845
Energy: 1.1463726185513465
Energy: 1.311990436310059
Energy: 1.1463726185504057
Energy: 1.2503020849696584
Energy: 1.129536983022551
Energy: 1.3198196476300668
Energy: 1.129536983022551
Energy: 1.2984491862610505
Energy: 1.140580960370418
Energy: 1.3367267983717548
Energy: 1.140580960370418
Energy: 1.326199586883142
Energy: 1.122660544329841
Energy: 1.2911484628603225
Energy: 1.1226605443279591
Energy: 1.3179889213492069
Energy: 1.122673432797059
Energy: 1.2997036220361926
Energy: 1.1226734327979997
Energy: 1.2923328041502096
Energy: 1.1231493003749735
Energy: 1.281868946153672
Energy: 1.1231493003749735
Energy: 1.270570923998509
Energy: 1.1384545429282567
Energy: 1.3435089801777789
Energy: 1.1384545429291977

minimum gb energy = 1.1226605443279591 eV
minimum distance =  2.64796004960396 Angstroms
sigma value = 15


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

Energy: 1.3660414642145935
Energy: 1.0909970190858838
Energy: 1.4343358384879028
Energy: 1.0909970190874778
Energy: 1.2405136184177037
Energy: 1.1642096074187074
Energy: 1.2284283880961302
Energy: 1.1642096074203017
Energy: 1.2216357271585478
Energy: 1.0742208040895025
Energy: 1.3242058290106224
Energy: 1.0742208040887056
Energy: 1.2266162735654287
Energy: 1.08186160320245
Energy: 1.2285482991164958
Energy: 1.0818616032016528
Energy: 1.3004199059499968
Energy: 1.0569238755938313
Energy: 1.2151914303069073
Energy: 1.0569238755946282
Energy: 1.2266219082296144
Energy: 1.1404862985886035
Energy: 1.226366419692292
Energy: 1.1404862985894004
Energy: 1.2249639082149306
Energy: 1.0422492652174604
Energy: 1.2634348854012265
Energy: 1.0422492652190545
Energy: 1.2157118758065426
Energy: 1.1389148827486502
Energy: 1.2278905650104202
Energy: 1.138914882747853
Energy: 1.252279918266588
Energy: 1.0393521230526355
Energy: 1.196389494870542
Energy: 1.0393521230534326
Energy: 1.2154253902307277
Energy: 1.061275629262899
Energy: 1.2308810822753347
Energy: 1.0612756292652905
Energy: 1.210205245757448
Energy: 1.0389101645149599
Energy: 1.2205116643404088
Energy: 1.0389101645141625
Energy: 1.227283885733493
Energy: 1.0853183062493894
Energy: 1.2306131652636705
Energy: 1.0853183062469982
Energy: 1.2222748500306686
Energy: 1.0390771059982575
Energy: 1.1956862503159176
Energy: 1.0390771059982575
Energy: 1.2263898472904506
Energy: 1.0733037303260142
Energy: 1.2191790993052443
Energy: 1.0733037303276085
Energy: 1.2146353050218477
Energy: 1.0390115114088718
Energy: 1.200434979937632
Energy: 1.0390115114096685
Energy: 1.2216225697712562
Energy: 1.0733306771592452
Energy: 1.230173296288166
Energy: 1.0733306771592452
Energy: 1.2153470430930051
Energy: 1.0393124120030466
Energy: 1.2134001031429698
Energy: 1.039312411999061
Energy: 1.2373311381466792
Energy: 1.049488634454291
Energy: 1.2031002200337673
Energy: 1.0494886344519723
Energy: 1.2238202324172631
Energy: 1.039282008705809
Energy: 1.200985410399423
Energy: 1.039282008705809
Energy: 1.2172850088007774
Energy: 1.0609118412712464
Energy: 1.2220452751232271
Energy: 1.0609118412728407
Energy: 1.230189976212264
Energy: 1.042740938351529
Energy: 1.1773411303466286
Energy: 1.0427409383531232
Energy: 1.2367868653128877
Energy: 1.129599443782856
Energy: 1.1796812966141093
Energy: 1.129599443782059
Energy: 1.185341683500664
Energy: 1.0565873235173686
Energy: 1.2166640371529707
Energy: 1.0565873235173686
Energy: 1.2189175082409012
Energy: 1.1483434065796723
Energy: 1.235846381418492
Energy: 1.1483434065804694
Energy: 1.2190517482368628
Energy: 1.0705705827292507
Energy: 1.208292756175924
Energy: 1.0705705827268595
Energy: 1.1858831977364017
Energy: 1.1529885469120915
Energy: 1.2311292104368972
Energy: 1.1529885469104975
Energy: 1.2171963028523665
Energy: 1.0898028673867919
Energy: 1.2194572546761766
Energy: 1.089802867387589
Energy: 1.240571393219198
Energy: 1.1090717788537559
Energy: 1.2353171145790784
Energy: 1.1090717788577409
Energy: 1.2285858921586827
Energy: 1.07048437198432
Energy: 1.2080110749388435
Energy: 1.0704843719867112
Energy: 1.2378522399471237
Energy: 1.075108623197852
Energy: 1.2309659417565608
Energy: 1.0751086231994462
Energy: 1.1863136201236066
Energy: 1.056794616939227
Energy: 1.219141813270073
Energy: 1.056794616939227
Energy: 1.218802170300992
Energy: 1.0724805478872428
Energy: 1.2224288372102163
Energy: 1.0724805478888368
Energy: 1.2253240197905253
Energy: 1.0427835733813806
Energy: 1.1774450111269765
Energy: 1.0427835733821775
Energy: 1.2376664796496497
Energy: 1.0497343816815374
Energy: 1.218117577968608
Energy: 1.0497343816807403
Energy: 1.2237542186445731
Energy: 1.0390907505727247
Energy: 1.2348139200105377
Energy: 1.0390907505695366
Energy: 1.2201366168056653
Energy: 1.0603679366600995
Energy: 1.2307774564896516
Energy: 1.0603679366632877
Energy: 1.206356970636792
Energy: 1.039133592742818
Energy: 1.213415721373199
Energy: 1.0391335927396295

minimum gb energy = 1.0389101645141625 eV
minimum distance =  2.65676887350433 Angstroms
sigma value = 85


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

Energy: 1.2873922258719175
Energy: 1.019203780739377
Energy: 1.2838814186083893
Energy: 1.019203780739377
Energy: 1.120728981661391
Energy: 1.0273967563922533
Energy: 1.1263954391050466
Energy: 1.027396756398475
Energy: 1.1092075056721151
Energy: 1.0137515511048887
Energy: 1.2428811086124592
Energy: 1.0137515511048887
Energy: 1.1090831610774512
Energy: 1.0227813493347417
Energy: 1.1264566293540867
Energy: 1.0227813493347417
Energy: 1.2597385993596066
Energy: 0.9694016921508114
Energy: 1.1107441270864304
Energy: 0.9694016921515026
Energy: 1.1091764357000384
Energy: 1.0230070724951574
Energy: 1.1196216322023316
Energy: 1.0230070724951574
Energy: 1.124798638021645
Energy: 0.9696025842830348
Energy: 1.2242138590174159
Energy: 0.9696025842823435
Energy: 1.1217137229196612
Energy: 0.9450619962663873
Energy: 1.1194672310343674
Energy: 0.9450619962684613
Energy: 1.1862251774997792
Energy: 0.9449291088636266
Energy: 1.1432262974637484
Energy: 0.9449291088643179
Energy: 1.121704988230471
Energy: 0.952106173821711
Energy: 1.1281478840675496
Energy: 0.952106173821711
Energy: 1.0945273485927107
Energy: 0.9448605184473872
Energy: 1.1691399122018955
Energy: 0.9448605184466958
Energy: 1.1481379210399902
Energy: 0.9584770027199472
Energy: 1.1275002435993309
Energy: 0.9584770027185645
Energy: 1.1306169683785319
Energy: 0.9450288313603458
Energy: 1.1168903674630184
Energy: 0.9450288313610371
Energy: 1.1482235008036838
Energy: 0.9954263448695545
Energy: 1.145195300125643
Energy: 0.9954263448695545
Energy: 1.0920225641173695
Energy: 0.945122772411655
Energy: 1.1345071812291383
Energy: 0.945122772411655
Energy: 1.1389567684385906
Energy: 0.9914175719058039
Energy: 1.1445168652025606
Energy: 0.991417571906495
Energy: 1.0982067993946858
Energy: 0.9450206513033379
Energy: 1.1196686092445052
Energy: 0.9450206513047205
Energy: 1.1475752041506837
Energy: 0.9933943577537845
Energy: 1.1449504815348353
Energy: 0.9933943577537845
Energy: 1.1149542046348275
Energy: 0.9451102770301346
Energy: 1.1246071937242799
Energy: 0.9451102770294433
Energy: 1.1243393332383265
Energy: 0.9561392012660325
Energy: 1.1442085874518475
Energy: 0.9561392012653411
Energy: 1.0947517317331632
Energy: 0.943893327863328
Energy: 1.1382275742779235
Energy: 0.9438933278640195
Energy: 1.1232880064928452
Energy: 0.9584719712825354
Energy: 1.1273134412309795
Energy: 0.958471971281844
Energy: 1.150885806085879
Energy: 0.9438242766484923
Energy: 1.1405903154305292
Energy: 0.9438242766484923
Energy: 1.1240633197621552
Energy: 1.0304120232369227
Energy: 1.1120893017017996
Energy: 1.0304120232369227
Energy: 1.1280177559393214
Energy: 0.9684102012456738
Energy: 1.0949734426319486
Energy: 0.9684102012449824
Energy: 1.1091709481302794
Energy: 1.0228424390743174
Energy: 1.1192780772386173
Energy: 1.0228424390750086
Energy: 1.1206532122282105
Energy: 0.969319811875763
Energy: 1.1119353710770683
Energy: 0.9693198118764542
Energy: 1.1361386553345258
Energy: 1.0283276572270832
Energy: 1.1018519132549298
Energy: 1.0283276572277746
Energy: 1.1072049465447997
Energy: 1.0137111064477702
Energy: 1.1185499399169916
Energy: 1.0137111064477702
Energy: 1.0988767684369505
Energy: 1.0274682102222656
Energy: 1.1265433341436346
Energy: 1.027468210222957
Energy: 1.1636250358031242
Energy: 1.0190380137251347
Energy: 1.1145381907583025
Energy: 1.0190380137265174
Energy: 1.1628132320059126
Energy: 0.9808899583536224
Energy: 1.1022471159940996
Energy: 0.9808899583522397
Energy: 1.1069374471831273
Energy: 1.0137790194430187
Energy: 1.118410228536876
Energy: 1.0137790194430187
Energy: 1.109360227182325
Energy: 0.9549526231722747
Energy: 1.1263640761698615
Energy: 0.9549526231729658
Energy: 1.1205726239371872
Energy: 0.969355642266397
Energy: 1.114261077315856
Energy: 0.9693556422670884
Energy: 1.1359232751280728
Energy: 0.947665576961557
Energy: 1.1117272457998555
Energy: 0.9476655769657047
Energy: 1.1254159891038877
Energy: 0.9685091783688757
Energy: 1.0949817568348492
Energy: 0.9685091783681844
Energy: 1.1226095363631492
Energy: 0.9444050306828321
Energy: 1.1197187551650853
Energy: 0.9444050306821409
Energy: 1.1504785507877284
Energy: 0.9438920942941423
Energy: 1.140120764825699
Energy: 0.9438920942934511
Energy: 1.12421886042873
Energy: 0.9408614606728827
Energy: 1.1438124194884758
Energy: 0.9408614606721912
Energy: 1.0916866497555422
Energy: 0.9439438539884657
Energy: 1.1382808468910972
Energy: 0.9439438539884657
Energy: 1.1482606522102674
Energy: 0.959606814192472
Energy: 1.1275842830996716
Energy: 0.9596068141931633
Energy: 1.1150881979822864
Energy: 0.9400371013468607
Energy: 1.1190793196885496
Energy: 0.9400371013461694

minimum gb energy = 0.9400371013461694 eV
minimum distance =  2.66085136500426 Angstroms
sigma value = 113


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

Energy: 0.019575139092770352
Energy: 0.02010716549225994
Energy: 2.0120751480324586
Energy: 0.02010716549276185
Energy: 0.0205968576112217
Energy: 0.9621970301384877
Energy: 0.020596857612786474
Energy: 0.962197030139521
Energy: 1.8126939756820706
Energy: 0.02010716549276185
Energy: 0.019575139092770352
Energy: 0.02010716549276185
Energy: 0.02059685761538459
Energy: 0.9621970301379562
Energy: 0.02059685761538459
Energy: 0.9621970301374543
Energy: 0.019575139092770352
Energy: 0.02010716549225994
Energy: 2.0120751480319568
Energy: 0.02010716549276185
Energy: 0.02059685761228457
Energy: 0.9621970301389896
Energy: 0.020596857610719797
Energy: 0.9621970301384877

minimum gb energy = 0.019575139092770352 eV
minimum distance =  2.83543101602596 Angstroms
sigma value = 1