Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014972491
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018148565540081336
Energy: 0.01840658551591149
Energy: 1.4669397845701664
Energy: 0.01840658551525048
Energy: 0.01840658551525048
Energy: 1.224322492272043
Energy: 0.01840658551525048
Energy: 1.2243224922714186
Energy: 1.4669397845708274
Energy: 0.01840658551525048
Energy: 0.018148565539420333
Energy: 0.01840658551525048
Energy: 0.01840658551525048
Energy: 1.2243224922714186
Energy: 0.01840658551525048
Energy: 1.224322492272043

minimum gb energy = 0.018148565539420333 eV
minimum distance =  2.42645588156139 Angstroms
sigma value = 1


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

Energy: 1.568374497887398
Energy: 1.5483819236005283
Energy: 1.4556524770537578
Energy: 1.5483819236013299
Energy: 1.4453932676213985
Energy: 1.494996440630968
Energy: 1.4530603984065797
Energy: 1.4949964406317693
Energy: 1.4030944028271293
Energy: 1.5344899594188561
Energy: 1.4888404072014632
Energy: 1.5344899594188561
Energy: 1.436981190581268
Energy: 1.5070896307042325
Energy: 1.4015868269172354
Energy: 1.5070896307034307
Energy: 1.4090120299080489
Energy: 1.5545792206009676
Energy: 1.4702516075106
Energy: 1.5545792206009676
Energy: 1.378370360861611
Energy: 1.7187176852321397
Energy: 1.3768946600187004
Energy: 1.7187176852321397
Energy: 1.4493612062043746
Energy: 1.53194234108654
Energy: 1.3800421148687765
Energy: 1.5319423410849367
Energy: 1.3209163215544006
Energy: 1.5576026890442656
Energy: 1.376459795158873
Energy: 1.5576026890450674
Energy: 1.4007424469069103
Energy: 1.7368711768394796
Energy: 1.4607718904087232
Energy: 1.7368711768394796
Energy: 1.3650386558348344
Energy: 1.533179880872288
Energy: 1.313021153235492
Energy: 1.533179880872288
Energy: 1.4731135046027883
Energy: 1.5133830394161947
Energy: 1.4007007936291054
Energy: 1.513383039415393
Energy: 1.463489259781789
Energy: 1.5548746431751306
Energy: 1.3808461932422427
Energy: 1.5548746431743288
Energy: 1.4509515757762512
Energy: 1.530570648145795
Energy: 1.4479465302860959
Energy: 1.530570648145795
Energy: 1.4173378883003507
Energy: 1.5392542901018527
Energy: 1.3897790409255923
Energy: 1.5392542901010509
Energy: 1.4310082260094268
Energy: 1.5493625761016891
Energy: 1.4450662192209307
Energy: 1.5493625761016891
Energy: 1.4291572414663842
Energy: 1.5488518143547352
Energy: 1.4444856498931642
Energy: 1.5488518143555368
Energy: 1.4890340751827948
Energy: 1.534488587502537
Energy: 1.3589404369410238
Energy: 1.53448858750414
Energy: 1.4530451631100672
Energy: 1.5033842665057726
Energy: 1.4838698602716076
Energy: 1.5033842665065742
Energy: 1.3348994011547963
Energy: 1.5541582466309363
Energy: 1.379285242702706
Energy: 1.5541582466317378
Energy: 1.4836355410952262
Energy: 1.7155849482505563
Energy: 1.4031616580289457
Energy: 1.7155849482497547
Energy: 1.379901280503724
Energy: 1.5345829665270585
Energy: 1.3259029248630572
Energy: 1.534582966526257
Energy: 1.4010606119581446
Energy: 1.4249438303728192
Energy: 1.4628028205707084
Energy: 1.4249438303752242
Energy: 1.4312421769344967
Energy: 1.55455873648236
Energy: 1.3634002198343922
Energy: 1.5545587364807567
Energy: 1.4138050184090905
Energy: 1.5303574686206953
Energy: 1.3783114850844167
Energy: 1.5303574686198937
Energy: 1.3800335184094785
Energy: 1.7189297234418983
Energy: 1.4481612465022904
Energy: 1.7189297234427
Energy: 1.4057815315784097
Energy: 1.55546565018632
Energy: 1.394619144793274
Energy: 1.55546565018632
Energy: 1.4406100624679803
Energy: 1.747220523975715
Energy: 1.40063240940172
Energy: 1.7472205239765166
Energy: 1.3913215482280865
Energy: 1.5305518305051578
Energy: 1.5459737118799766
Energy: 1.5305518305051578
Energy: 1.4442180442853039
Energy: 1.4913175425972
Energy: 1.4477506340612167
Energy: 1.4913175425972
Energy: 1.5149463470100277
Energy: 1.5500401895346356
Energy: 1.4633186666340472
Energy: 1.5500401895346356
Energy: 1.449445949205133
Energy: 1.53781036679155
Energy: 1.4509157485019175
Energy: 1.5378103667931529
Energy: 1.4157041265375598
Energy: 1.5297195134444768
Energy: 1.4168199134016783
Energy: 1.5297195134452786
Energy: 1.4087974453697667
Energy: 1.507698180121663
Energy: 1.406019209925949
Energy: 1.5076981801224647

minimum gb energy = 1.313021153235492 eV
minimum distance =  2.24139114778662 Angstroms
sigma value = 1


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

Energy: 1.6646027330599453
Energy: 1.6474131382295851
Energy: 1.548038825166785
Energy: 1.6474131382304988
Energy: 1.4951040835801856
Energy: 1.5878703353952859
Energy: 1.510914242399801
Energy: 1.5878703353952859
Energy: 1.4562682222118684
Energy: 1.650560430881378
Energy: 1.5317116941154554
Energy: 1.650560430882292
Energy: 1.4486939384888466
Energy: 1.4632467599766874
Energy: 1.433232647264585
Energy: 1.4632467599757735
Energy: 1.4487861022666484
Energy: 1.6198603541638092
Energy: 1.5048672236697351
Energy: 1.619860354161981
Energy: 1.5505697751950431
Energy: 1.619994402479428
Energy: 1.5320778783479185
Energy: 1.619994402478514
Energy: 1.4950727123277971
Energy: 1.4636748657414695
Energy: 1.4528681215169474
Energy: 1.4636748657423835
Energy: 1.366981856800443
Energy: 1.6511040527596976
Energy: 1.4208448908442644
Energy: 1.6511040527587837
Energy: 1.4493798506781566
Energy: 2.0806153515623538
Energy: 1.5504678803549636
Energy: 2.0806153515623538
Energy: 1.4373741933909643
Energy: 1.6506378680118936
Energy: 1.50616101399509
Energy: 1.6506378680109797
Energy: 1.4962266180089312
Energy: 1.567821463376347
Energy: 1.5180975497067404
Energy: 1.567821463378175
Energy: 1.40939701864945
Energy: 1.631952611010816
Energy: 1.478703418470381
Energy: 1.631952611008988
Energy: 1.5349528814302442
Energy: 1.6144943349197156
Energy: 1.500773828742152
Energy: 1.6144943349178875
Energy: 1.5348721472746596
Energy: 1.6145176703241246
Energy: 1.4600981560520419
Energy: 1.6145176703204687
Energy: 1.4092334761234095
Energy: 1.6319333039630528
Energy: 1.5734564899530143
Energy: 1.631933303963967
Energy: 1.496086940354464
Energy: 1.5676730519262327
Energy: 1.5107671359669177
Energy: 1.5676730519253186
Energy: 1.4376127752890224
Energy: 1.650368023420092
Energy: 1.3902443506485076
Energy: 1.650368023420092
Energy: 1.4495433361830963
Energy: 2.080672550544115
Energy: 1.550369067979912
Energy: 2.080672550545029
Energy: 1.3669636644007965
Energy: 1.6504177436554484
Energy: 1.4208942210424258
Energy: 1.6504177436554484
Energy: 1.4950273773071148
Energy: 1.463496136606692
Energy: 1.4330130382708228
Energy: 1.46349613660852
Energy: 1.5504793383232889
Energy: 1.6200183576691791
Energy: 1.402781502726203
Energy: 1.620018357667351
Energy: 1.4490252499548852
Energy: 1.619886777196103
Energy: 1.5061900198349671
Energy: 1.6198867771942749
Energy: 1.4488543684889064
Energy: 1.463184853529479
Energy: 1.4303191769208439
Energy: 1.463184853526737
Energy: 1.4562760410347921
Energy: 1.6505789063172898
Energy: 1.576510222089475
Energy: 1.650578906318204
Energy: 1.495255244205232
Energy: 1.593717594261337
Energy: 1.5106746953965482
Energy: 1.593717594261337
Energy: 1.6646027330590314
Energy: 1.6474131382304988
Energy: 1.548038825166785
Energy: 1.647413138231413
Energy: 1.4951040835792717
Energy: 1.5878703353961996
Energy: 1.510914242399801
Energy: 1.5878703353952859
Energy: 1.4562682222118684
Energy: 1.650560430881378
Energy: 1.4788969446819509
Energy: 1.650560430882292
Energy: 1.4486939384888466
Energy: 1.4632467599757735
Energy: 1.4332326472654993
Energy: 1.4632467599766874

minimum gb energy = 1.3669636644007965 eV
minimum distance =  2.23887867703391 Angstroms
sigma value = 25


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

Energy: 1.562417203183082
Energy: 1.7144447580682005
Energy: 1.7057452503804311
Energy: 1.7144447580682005
Energy: 1.5882832039874448
Energy: 1.6419910472669954
Energy: 1.5242939629642862
Energy: 1.6419910472669954
Energy: 1.530479358086163
Energy: 1.7695207241953685
Energy: 1.5312324854595019
Energy: 1.7695207241964312
Energy: 1.5328016203197876
Energy: 1.5399609614654246
Energy: 1.4860537007383037
Energy: 1.5399609614654246
Energy: 1.4869625172884857
Energy: 1.7421513390354693
Energy: 1.5840041326841012
Energy: 1.742151339034407
Energy: 1.6386400193263302
Energy: 1.7677310589183346
Energy: 1.7469672994178962
Energy: 1.7677310589183346
Energy: 1.58625174906318
Energy: 1.5252174154107134
Energy: 1.52465974466153
Energy: 1.5252174154096507
Energy: 1.7452795823245861
Energy: 1.7217105672073445
Energy: 1.4439328899415502
Energy: 1.7217105672084072
Energy: 1.524527986047572
Energy: 1.6415012475639548
Energy: 1.586031336939456
Energy: 1.6415012475639548
Energy: 1.526781686481709
Energy: 1.7682988970534288
Energy: 1.476278426784985
Energy: 1.7682988970534288
Energy: 1.5833032774498235
Energy: 1.7120786252150033
Energy: 1.5859831732894039
Energy: 1.7120786252150033
Energy: 1.548731220174092
Energy: 1.714295056430067
Energy: 1.5230949269809513
Energy: 1.714295056430067
Energy: 1.530963902242741
Energy: 1.6616367192924753
Energy: 1.474325444197946
Energy: 1.6616367192914125
Energy: 1.524123861596433
Energy: 1.6301796367401595
Energy: 1.597910197087065
Energy: 1.6301796367401595
Energy: 1.5847925920781454
Energy: 1.7239184674869052
Energy: 1.4426127755266414
Energy: 1.7239184674858428
Energy: 1.5865803794232693
Energy: 1.5338475713603976
Energy: 1.4861217266349243
Energy: 1.5338475713603976
Energy: 1.4222994354711063
Energy: 1.7697339110118548
Energy: 1.4221444987355436
Energy: 1.7697339110118548
Energy: 1.4856473310124603
Energy: 1.6517137702749514
Energy: 1.5853465571648242
Energy: 1.6517137702749514
Energy: 1.5177339844868154
Energy: 1.6725405651997962
Energy: 1.4867897489661293
Energy: 1.6725405652008587
Energy: 1.5984685034322126
Energy: 1.7673069067347675
Energy: 1.532967116059097
Energy: 1.7673069067347675
Energy: 1.5341949401959023
Energy: 1.6411638614203676
Energy: 1.5232342986011476
Energy: 1.6411638614203676
Energy: 1.5636545392082495
Energy: 1.715658004733496
Energy: 1.6500062791673415
Energy: 1.715658004733496
Energy: 1.5863835228700363
Energy: 1.6520850029972713
Energy: 1.5230956036342675
Energy: 1.6520850029972713
Energy: 1.528341864688757
Energy: 1.7679308870724355
Energy: 1.527029377210109
Energy: 1.7679308870713728
Energy: 1.5869106639977664
Energy: 1.5396230829371131
Energy: 1.4870185718259445
Energy: 1.5396230829371131

minimum gb energy = 1.4221444987355436 eV
minimum distance =  2.23553491421377 Angstroms
sigma value = 9


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

Energy: 1.6298663602684134
Energy: 1.630135683120929
Energy: 1.8793104761881958
Energy: 1.630135683120929
Energy: 1.5688740099483043
Energy: 1.7266225133998059
Energy: 1.589208050146227
Energy: 1.7266225133985675
Energy: 1.6050805469043934
Energy: 1.6469661696872622
Energy: 1.6226400769284146
Energy: 1.6469661696885296
Energy: 1.8990662327414785
Energy: 1.614431913676114
Energy: 1.5197292982119859
Energy: 1.6144319136773815
Energy: 1.7338372557472548
Energy: 1.727772767712558
Energy: 1.8787221575183153
Energy: 1.727772767712558
Energy: 1.4686394135819252
Energy: 1.6459967646617226
Energy: 1.6404982505653638
Energy: 1.6459967646617226
Energy: 1.584164815791005
Energy: 1.5189140056341464
Energy: 1.519949062645076
Energy: 1.518914005632879
Energy: 1.6666387984812796
Energy: 1.6458995569701038
Energy: 1.50212604427051
Energy: 1.6458995569713712
Energy: 1.5850103868120702
Energy: 1.7265418963212449
Energy: 1.6879279811252554
Energy: 1.7265418963212449
Energy: 1.623119433592669
Energy: 1.6307689865159123
Energy: 1.640849428244001
Energy: 1.6307689865171509
Energy: 1.5284131479844139
Energy: 1.7432631852713556
Energy: 1.6055920730716027
Energy: 1.7432631852713556
Energy: 1.6247129305196522
Energy: 1.716547593328067
Energy: 1.5199161527910903
Energy: 1.716547593328067
Energy: 1.4683452633717007
Energy: 1.6470672490673093
Energy: 1.6646545631052503
Energy: 1.6470672490685767
Energy: 1.6027328550042772
Energy: 1.601496122535061
Energy: 1.5881958670714988
Energy: 1.601496122535061
Energy: 1.4683564992268638
Energy: 1.6470820705419726
Energy: 1.6669501107480424
Energy: 1.6470820705419726
Energy: 1.6248092535008016
Energy: 1.7164373441694651
Energy: 1.5201400162815422
Energy: 1.7164373441694651
Energy: 1.52865402013193
Energy: 1.7432877374776161
Energy: 1.6200791915367516
Energy: 1.7432877374776161
Energy: 1.6231534024996201
Energy: 1.6305797469996217
Energy: 1.6410081449922174
Energy: 1.6305797469996217
Energy: 1.58482422561083
Energy: 1.7269015369783056
Energy: 1.5893738564482298
Energy: 1.7269015369783056
Energy: 1.6668186685028694
Energy: 1.6461422814957967
Energy: 1.5021221854937639
Energy: 1.6461422814970643
Energy: 1.5840368397294258
Energy: 1.519013599585621
Energy: 1.5201359010829716
Energy: 1.519013599585621

minimum gb energy = 1.4683452633717007 eV
minimum distance =  2.32865479843916 Angstroms
sigma value = 25


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

Energy: 1.5413579856340978
Energy: 1.889732345866808
Energy: 1.7424862496266773
Energy: 1.889732345866808
Energy: 1.513666376832358
Energy: 1.5554270312005336
Energy: 1.493902575598424
Energy: 1.5554270312005336
Energy: 1.7040816328100783
Energy: 1.795855544706157
Energy: 1.4942856696593874
Energy: 1.795855544713995
Energy: 1.5398764729771506
Energy: 1.7782986791119582
Energy: 1.7532834100501158
Energy: 1.7782986791197959
Energy: 1.752652678648879
Energy: 1.5133367468543288
Energy: 1.493811751951782
Energy: 1.5133367468527612
Energy: 1.4934140690257436
Energy: 1.7943779019920068
Energy: 1.7026390197653603
Energy: 1.7943779019920068
Energy: 1.4951216802309122
Energy: 1.7350564884602793
Energy: 1.4933546576165893
Energy: 1.7350564884602793
Energy: 1.7325670968823306
Energy: 1.6297571843097804
Energy: 1.5403738473687842
Energy: 1.6297571843097804
Energy: 1.4941872478959655
Energy: 1.6329976287745078
Energy: 1.5159410695113464
Energy: 1.6329976287745078
Energy: 1.7931351899489913
Energy: 1.6616499959740778
Energy: 1.702362316259618
Energy: 1.6616499959740778
Energy: 1.6473442457314587
Energy: 1.7774734770662852
Energy: 1.9858524011803147
Energy: 1.7774734770647178
Energy: 1.4937686724952055
Energy: 1.5623149740595166
Energy: 1.7939606735956912
Energy: 1.5623149740595166
Energy: 1.7423782337155842
Energy: 1.794901649660519
Energy: 1.493320193584113
Energy: 1.7949016496620867
Energy: 1.494067194048476
Energy: 1.7599437999072085
Energy: 1.7501821810987046
Energy: 1.7599437999072085
Energy: 1.493684328657125
Energy: 1.7573301660965273
Energy: 1.7325536707426423
Energy: 1.7573301660965273
Energy: 1.513341802205796
Energy: 1.6620937577686596
Energy: 1.4935156061435844
Energy: 1.6620937577655246
Energy: 1.4934227484714513
Energy: 1.637971689854776
Energy: 1.7934999457714405
Energy: 1.637971689854776

minimum gb energy = 1.493320193584113 eV
minimum distance =  2.32101767089919 Angstroms
sigma value = 17


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

Energy: 1.673136838328366
Energy: 1.673669609588975
Energy: 2.02830094004982
Energy: 1.673669609588975
Energy: 1.7634076953749038
Energy: 1.7048461663578747
Energy: 1.5267632276780208
Energy: 1.7048461663578747
Energy: 1.9351918854807535
Energy: 1.6648435355627034
Energy: 1.5254077114993534
Energy: 1.6648435355627034
Energy: 1.52786163680229
Energy: 1.8661125567717465
Energy: 1.6836222707793165
Energy: 1.8661125567717465
Energy: 1.8239211049952893
Energy: 1.6445521353711747
Energy: 1.601037119884773
Energy: 1.6445521353720627
Energy: 1.5449766096224355
Energy: 1.6965648517870207
Energy: 1.9025435319088406
Energy: 1.6965648517861327
Energy: 1.5278777681705733
Energy: 1.7024912114550772
Energy: 1.6149367588254384
Energy: 1.7024912114550772
Energy: 1.9341110976673552
Energy: 1.695302761009802
Energy: 1.5430775848870575
Energy: 1.695302761009802
Energy: 1.5442479634878128
Energy: 1.6982282425182447
Energy: 1.8178749550110958
Energy: 1.6982282425182447
Energy: 1.9249792161511547
Energy: 1.6431289583607402
Energy: 1.5262104531636655
Energy: 1.6431289583598523
Energy: 1.5315863644279208
Energy: 1.7083332849236
Energy: 1.9316153214640437
Energy: 1.708333284924488
Energy: 1.5446004443582495
Energy: 1.7004939687280063
Energy: 1.544775519722315
Energy: 1.7004939687280063
Energy: 1.7554285614205687
Energy: 1.6736293177766444
Energy: 1.679935589646675
Energy: 1.6736293177766444
Energy: 1.525493436762062
Energy: 1.722760595150027
Energy: 1.765399272360519
Energy: 1.7227605951314242
Energy: 1.6972037262362127
Energy: 1.7034161117121296
Energy: 1.5442546034693514
Energy: 1.7034161117112419
Energy: 1.7595325546959606
Energy: 1.6948190250015445
Energy: 1.794168136257351
Energy: 1.6948190250024322
Energy: 1.6142291886042306
Energy: 1.7650896932544522
Energy: 1.9347078207654087
Energy: 1.7650896932544522
Energy: 1.8749503718962557
Energy: 1.6688065377319312
Energy: 1.544799839589574
Energy: 1.6688065377319312
Energy: 1.6944038151734069
Energy: 1.7616998468154625
Energy: 1.6325814800718208
Energy: 1.7616998468145748
Energy: 1.613349897311822
Energy: 1.8670271269321996
Energy: 1.6629743926051253
Energy: 1.8670271269313117
Energy: 1.65878359290569
Energy: 1.6637433733162934
Energy: 1.788545005088224
Energy: 1.6637433733162934
Energy: 1.6135224916736162
Energy: 1.8469721377805735
Energy: 1.9604010407691783
Energy: 1.8469721377805735
Energy: 1.8092190308529097
Energy: 1.673993872213707
Energy: 1.5247885693161283
Energy: 1.673993872213707
Energy: 1.5449023351975146
Energy: 1.7615744915241933
Energy: 1.9156495566928884
Energy: 1.7615744915241933
Energy: 1.641851752675647
Energy: 1.6640548161865385
Energy: 1.9201068963353694
Energy: 1.6640548161874265
Energy: 1.8101388915524403
Energy: 1.7087010262819
Energy: 1.5268376689518657
Energy: 1.7087010262783489
Energy: 1.5674973732843032
Energy: 1.774288138936171
Energy: 1.9916406292080933
Energy: 1.774288138936171
Energy: 1.7564648668743679
Energy: 1.6951926456526518
Energy: 1.7902596641527888
Energy: 1.6951926456526518
Energy: 1.899319596168769
Energy: 1.811373712516506
Energy: 1.5271863597995272
Energy: 1.811373712516506
Energy: 1.5427091285370784
Energy: 1.7591672122940787
Energy: 1.8736016492522682
Energy: 1.7591672122949664

minimum gb energy = 1.5247885693161283 eV
minimum distance =  2.21524851290304 Angstroms
sigma value = 53


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

Energy: 1.4290676094715542
Energy: 1.4287346925421136
Energy: 1.972665725983009
Energy: 1.4287346925400695
Energy: 1.7944581027699267
Energy: 1.6216754180290287
Energy: 1.790846928293546
Energy: 1.6216754180290287
Energy: 1.4606073953912826
Energy: 1.4286152099952099
Energy: 1.7673162629719128
Energy: 1.4286152099972538
Energy: 1.4607144122430582
Energy: 1.428714081270118
Energy: 1.6583429981963758
Energy: 1.428714081270118
Energy: 1.7945228927875592
Energy: 1.621618750899484
Energy: 1.7358229363043018
Energy: 1.621618750899484
Energy: 1.4290676094715542
Energy: 1.4287346925421136
Energy: 1.9726644882947046
Energy: 1.4287346925400695
Energy: 1.7944581027699267
Energy: 1.6216754180290287
Energy: 1.7908469282955897
Energy: 1.6216754180290287
Energy: 1.4606073953933263
Energy: 1.4286152099972538
Energy: 1.7673162629719128
Energy: 1.4286152099952099
Energy: 1.4607144122430582
Energy: 1.4287140812680739
Energy: 1.6313310059567818
Energy: 1.428714081270118
Energy: 1.7945228927875592
Energy: 1.6216187509015276
Energy: 1.7301266169954086
Energy: 1.621618750899484
Energy: 1.4290676094715542
Energy: 1.4287346925421136
Energy: 2.1463601096084695
Energy: 1.4287346925421136
Energy: 1.7944581027699267
Energy: 1.6216754180290287
Energy: 1.790846928293546
Energy: 1.6216754180290287
Energy: 1.4606073953933263
Energy: 1.4286152099972538
Energy: 1.7673162629719128
Energy: 1.4286152099952099

minimum gb energy = 1.4286152099952099 eV
minimum distance =  2.2963218115574 Angstroms
sigma value = 9


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

Energy: 1.6368018042230537
Energy: 1.798132465491623
Energy: 2.1954524761507033
Energy: 1.79813246549011
Energy: 1.9738079154393795
Energy: 1.7238845977386328
Energy: 1.6146126441791537
Energy: 1.7238845977393893
Energy: 1.6350496701041761
Energy: 1.55442736110252
Energy: 1.5774647778358426
Energy: 1.55442736110252
Energy: 1.888292074360776
Energy: 1.8867038609682865
Energy: 1.6312796737928408
Energy: 1.886703860969043
Energy: 1.9464092500008316
Energy: 1.673080877720452
Energy: 1.6156612318734214
Energy: 1.673080877720452
Energy: 1.6178417769908082
Energy: 1.6197105144279091
Energy: 1.9129216600022771
Energy: 1.6197105144286656
Energy: 2.1742646290934404
Energy: 1.6398648245463063
Energy: 1.6473622766038645
Energy: 1.63986482454555
Energy: 1.6465824485396563
Energy: 1.8957631773332415
Energy: 1.8180446389468603
Energy: 1.8957631773317287
Energy: 1.6388234824747006
Energy: 1.8928412745780103
Energy: 1.617586086169221
Energy: 1.8928412745787668
Energy: 1.672927952097825
Energy: 1.7094706718841037
Energy: 1.6775209442167025
Energy: 1.7094706718833472
Energy: 1.6310289969792882
Energy: 1.7600249666332883
Energy: 2.1095533585909836
Energy: 1.760024966634045
Energy: 1.8997952147243657
Energy: 1.753210966626921
Energy: 1.651806923632004
Energy: 1.7532109666246516
Energy: 1.6205680781181044
Energy: 1.682153176238467
Energy: 1.9677158676295485
Energy: 1.6821531762377104
Energy: 1.8861633633543171
Energy: 1.7978771173275758
Energy: 1.581105671317735
Energy: 1.7978771173290886
Energy: 1.620090405668137
Energy: 1.7537627382608838
Energy: 1.8592365751158022
Energy: 1.7537627382593708
Energy: 1.6249085198694502
Energy: 1.8913110485115117
Energy: 1.8477224310342666
Energy: 1.8913110485130247
Energy: 1.7557647419451905
Energy: 1.8603057979401818
Energy: 1.621387295942635
Energy: 1.8603057979401818
Energy: 1.6317265345517133
Energy: 1.6402318113014245
Energy: 1.9460203065640063
Energy: 1.6402318113029375
Energy: 1.9981593918865694
Energy: 1.7451971528588512
Energy: 1.6216789938567093
Energy: 1.745197152857407
Energy: 1.6154510850309682
Energy: 1.6987187956967704
Energy: 1.8644976420098
Energy: 1.698718795696014
Energy: 1.8258224193109847
Energy: 1.8842714125853512
Energy: 1.8383239699854175
Energy: 1.884271412581569
Energy: 1.7656246104006401
Energy: 1.5804041863392488
Energy: 1.6426262828864753
Energy: 1.5804041863400053
Energy: 1.6170992011551493
Energy: 1.712076778381527
Energy: 1.722454973349671
Energy: 1.7120767783845525
Energy: 2.0762477226485476
Energy: 1.759200069067487
Energy: 1.626565932058517
Energy: 1.7592000690697565
Energy: 1.6170940094135635
Energy: 1.7632483021618597
Energy: 2.0902412006364166
Energy: 1.7632483021633725
Energy: 1.7154988453412479
Energy: 1.5541485518015128
Energy: 1.6160977567935828
Energy: 1.554148551803782
Energy: 1.7460637094100087
Energy: 1.856777643435101
Energy: 1.8768578258672477
Energy: 1.8567776434381267
Energy: 1.6374720653502164
Energy: 1.8274753721996957
Energy: 1.8879975198288723
Energy: 1.827475372200452
Energy: 1.7302788365985728
Energy: 1.5529761642562034
Energy: 1.6146113505356516
Energy: 1.5529761642546906
Energy: 1.6166023667579912
Energy: 1.7870379743171245
Energy: 2.08892514673842
Energy: 1.7870379743148552
Energy: 1.9874126198897653
Energy: 1.7204055156891258
Energy: 1.6250269393888959
Energy: 1.7204055156913953
Energy: 1.6199870630585826
Energy: 1.7069786040839547
Energy: 1.6999348412284057
Energy: 1.7069786040862238
Energy: 1.6723968132460016
Energy: 1.7771523312259923
Energy: 1.6428229409913488
Energy: 1.7771523312267485
Energy: 1.8443760599473853
Energy: 1.9250537846250881
Energy: 1.8282452648975467
Energy: 1.9250537846243316
Energy: 1.6113168248093788
Energy: 1.9660233522963126
Energy: 2.0999608093334636
Energy: 1.966023352297069

minimum gb energy = 1.5529761642546906 eV
minimum distance =  2.23936044192752 Angstroms
sigma value = 73


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

Energy: 1.667267725879356
Energy: 1.667313089209198
Energy: 2.0515955162209085
Energy: 1.667313089209198
Energy: 1.7137572097509621
Energy: 1.7038933145337454
Energy: 1.553409297758519
Energy: 1.7038933145337454
Energy: 1.6783884231725648
Energy: 1.6656667846919242
Energy: 1.5908601617213216
Energy: 1.665666784690724
Energy: 1.6868402215588008
Energy: 1.7995172028776525
Energy: 1.5986307159915567
Energy: 1.7995172028776525
Energy: 1.6952724186726882
Energy: 1.7215896105123683
Energy: 1.5895343192008333
Energy: 1.7215896105123683
Energy: 1.6295257101711644
Energy: 1.6003078378922824
Energy: 2.0992054661799116
Energy: 1.6003078378922824
Energy: 2.1736526980737625
Energy: 1.8136285128350162
Energy: 1.6534687699552881
Energy: 1.8136285128362166
Energy: 1.6588793199870493
Energy: 1.5530789453905758
Energy: 1.9314335724786877
Energy: 1.5530789453905758
Energy: 2.0965398599829936
Energy: 1.5534993943213755
Energy: 1.553552322787461
Energy: 1.5534993943213755
Energy: 1.5539247142394181
Energy: 1.7753666371794548
Energy: 1.552634664132053
Energy: 1.7753666371794548
Energy: 1.612241610636216
Energy: 1.5534321093494468
Energy: 1.973782322691957
Energy: 1.5534321093494468
Energy: 1.785473275351275
Energy: 1.799196648157394
Energy: 1.6441727175773901
Energy: 1.7991966481561938
Energy: 1.6277094187826657
Energy: 1.6759721167202506
Energy: 1.910124529609248
Energy: 1.6759721167190507
Energy: 2.076782245160091
Energy: 1.7815944243201367
Energy: 1.682948851488767
Energy: 1.7815944243201367
Energy: 1.6337106737780185
Energy: 1.813757761545964
Energy: 1.9969611442132351
Energy: 1.813757761545964
Energy: 1.9988792741237715
Energy: 1.5532794504570855
Energy: 1.6562731405504945
Energy: 1.5532794504570855
Energy: 1.6656328967787903
Energy: 1.6677985955777967
Energy: 1.5539842989420323
Energy: 1.6677985955777967
Energy: 1.666335239962039
Energy: 1.7987299229374822
Energy: 1.651999978904994
Energy: 1.7987299229386826
Energy: 1.7943241391232592
Energy: 1.5528878767699408
Energy: 1.6548259270869892
Energy: 1.5528878767699408
Energy: 1.6365187453026702
Energy: 1.7501037587511132
Energy: 2.0503451676569764
Energy: 1.7501037587535135
Energy: 2.0873491128892683
Energy: 1.60038194759364
Energy: 1.683669259565197
Energy: 1.6003819475948402
Energy: 1.598593369210855
Energy: 1.7144147024467202
Energy: 1.8609302962805678
Energy: 1.7144147024467202

minimum gb energy = 1.552634664132053 eV
minimum distance =  2.2508312214803 Angstroms
sigma value = 7


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

Energy: 1.5805097783412771
Energy: 1.5816073895256677
Energy: 2.1588579677571738
Energy: 1.581607389524819
Energy: 2.0324888324604062
Energy: 1.7298472829225555
Energy: 1.61050754838982
Energy: 1.7298472829200093
Energy: 1.6327209911424585
Energy: 1.8229986779622198
Energy: 1.5900291037279535
Energy: 1.822998677961371
Energy: 1.5885286945783497
Energy: 1.6874641250742237
Energy: 1.6104982194442496
Energy: 1.6874641250725264
Energy: 1.629045922127699
Energy: 1.685205673239433
Energy: 1.575828667972247
Energy: 1.6852056732377356
Energy: 1.628433755124416
Energy: 1.5805358293480531
Energy: 2.0481505526206094
Energy: 1.5805358293463558
Energy: 1.7536791363098894
Energy: 1.8313509714052711
Energy: 1.5908809029680817
Energy: 1.8313509714052711
Energy: 1.628919250220115
Energy: 1.581063261360754
Energy: 2.1286689957193543
Energy: 1.5810632613599056
Energy: 1.7780893962133246
Energy: 1.6719781281280413
Energy: 1.6368493411670122
Energy: 1.6719781281280413
Energy: 1.6085236818189115
Energy: 1.6882475156215289
Energy: 1.7499717101381176
Energy: 1.6882475156240746
Energy: 1.586516070629778
Energy: 1.8228916755234001
Energy: 1.5752310640180436
Energy: 1.8228916755242488
Energy: 1.5817850264105306
Energy: 1.6846019218170432
Energy: 1.575435992231625
Energy: 1.6846019218153458
Energy: 1.5810568813929093
Energy: 1.5838242110050211
Energy: 1.5765127855058192
Energy: 1.5838242110042111
Energy: 1.5902642231114366
Energy: 1.5747251364717578
Energy: 1.6380957924510096
Energy: 1.5747251364734551
Energy: 1.6093836062869586
Energy: 1.8831383121801235
Energy: 1.8063638222931313
Energy: 1.8831383121784262
Energy: 2.205346693099054
Energy: 1.572630298222002
Energy: 1.6532546162582862
Energy: 1.5726302982203044
Energy: 1.6085726947649186
Energy: 1.6855074679548592
Energy: 1.7818109211571798
Energy: 1.6855074679548592
Energy: 1.5986912646841742
Energy: 1.863522650473077
Energy: 1.6379933489561154
Energy: 1.863522650473077
Energy: 1.6084430967669643
Energy: 1.8232522536154419
Energy: 1.6398772978205594
Energy: 1.8232522536154419
Energy: 1.6095685373764526
Energy: 1.6867879198907165
Energy: 1.5738577818055666
Energy: 1.6867879198915654
Energy: 1.5866723082255105
Energy: 1.8205923184936925
Energy: 1.6379703969782493
Energy: 1.820592318492844
Energy: 1.6281037806168084
Energy: 1.8192234339452786
Energy: 1.7409996258396863
Energy: 1.8192234339452786
Energy: 2.044715132820359
Energy: 1.6745821834968542
Energy: 1.6304329624002531
Energy: 1.6745821834968542
Energy: 1.5868514787492982
Energy: 1.5811220850535261
Energy: 2.0704948277407516
Energy: 1.5811220850492829
Energy: 1.6099771427946687
Energy: 1.6875737495348528
Energy: 1.59480171878399
Energy: 1.6875737495331558
Energy: 1.5863029071378585
Energy: 1.8195560420549872
Energy: 1.5750054832492562
Energy: 1.8195560420566845
Energy: 1.629766311242102
Energy: 1.6891600721723046
Energy: 1.5960583683390257
Energy: 1.689160072171456
Energy: 1.6644693351257178
Energy: 1.6846043733174005
Energy: 1.6106767115112337
Energy: 1.684604373314006
Energy: 1.6419499073587318
Energy: 1.5818729724274514
Energy: 1.7840565933142754
Energy: 1.5818729724266027
Energy: 1.5851217074473185
Energy: 1.6336571888196143
Energy: 1.6087583173704443
Energy: 1.6336571888238576
Energy: 1.6419533909624906
Energy: 1.5814049063137858
Energy: 2.0166331074774067
Energy: 1.5814049063146347

minimum gb energy = 1.5726302982203044 eV
minimum distance =  2.23170629055176 Angstroms
sigma value = 29


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

Energy: 1.482045523214265
Energy: 1.4745962896638452
Energy: 1.9442808997103538
Energy: 1.4745962896641405
Energy: 1.4244569163940706
Energy: 1.483190781345541
Energy: 1.4798561133544261
Energy: 1.4831907813458036
Energy: 1.5990116605785483
Energy: 1.550582524773106
Energy: 1.7328837871083504
Energy: 1.5505825247725145
Energy: 1.4800357738563317
Energy: 1.4248206544818232
Energy: 1.480119090775168
Energy: 1.4248206544818232
Energy: 1.4824361997214222
Energy: 1.5228954898296088
Energy: 1.7331410130233758
Energy: 1.5228954898296088
Energy: 1.475243017970188
Energy: 1.5515252306757596
Energy: 1.475271901564366
Energy: 1.551525230675464
Energy: 1.4752967775069794
Energy: 1.5230356306647281
Energy: 1.4824260815690788
Energy: 1.5230356306647281
Energy: 1.4801743659355766
Energy: 1.4246866427878464
Energy: 1.479728310673204
Energy: 1.424686642788142
Energy: 1.7328530194436982
Energy: 1.5505729756347626
Energy: 1.7329021820595736
Energy: 1.550572975635058

minimum gb energy = 1.4244569163940706 eV
minimum distance =  2.2929743067177 Angstroms
sigma value = 5


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

Energy: 1.4894809395548567
Energy: 1.4945182000737443
Energy: 1.8695195550507
Energy: 1.4945182000737443
Energy: 1.72907771689195
Energy: 1.581291402194481
Energy: 1.5070714946149348
Energy: 1.5812914021952826
Energy: 1.4617472206373145
Energy: 1.4882028474826945
Energy: 1.7641081592740413
Energy: 1.4882028474826945
Energy: 1.5098592526525851
Energy: 1.57040888105454
Energy: 1.4670800631573568
Energy: 1.5704088810537382
Energy: 1.4869130208495664
Energy: 1.576566473766355
Energy: 1.711966240838417
Energy: 1.5765664737671565
Energy: 1.586132134401889
Energy: 1.496374834530307
Energy: 1.4608202047904333
Energy: 1.4963748345311088
Energy: 1.4632244619063144
Energy: 1.5739898793298748
Energy: 1.4511653454366362
Energy: 1.5739898793298748
Energy: 1.4572206004865802
Energy: 1.4970234363101023
Energy: 1.4696284271760824
Energy: 1.4970234363109038
Energy: 1.4625095165006288
Energy: 1.5748754968426213
Energy: 1.494282775080723
Energy: 1.5748754968418195
Energy: 1.4623572156394442
Energy: 1.5747588480200216
Energy: 1.5099318945962592
Energy: 1.5747588480200216
Energy: 1.5165621613109568
Energy: 1.5714321220043954
Energy: 1.4643683116634354
Energy: 1.5714321220035938
Energy: 1.5118263941914278
Energy: 1.4800019769260646
Energy: 1.4944615319213963
Energy: 1.4800019769236596
Energy: 1.6594310449514966
Energy: 1.4961047535474536
Energy: 1.4933588509363807
Energy: 1.4961047535474536
Energy: 1.4846983088434056
Energy: 1.4956374349278505
Energy: 1.479785250544975
Energy: 1.495637434927049
Energy: 1.8304170015886276
Energy: 1.5689790626392448
Energy: 1.4644539490928867
Energy: 1.5689790626424516
Energy: 1.4649792416978409
Energy: 1.4882138603411639
Energy: 1.8425808750015253
Energy: 1.4882138603403623
Energy: 1.7107575379820386
Energy: 1.4812345090911576
Energy: 1.4880408567499819
Energy: 1.4812345090911576
Energy: 1.469942996331538
Energy: 1.49531949401988
Energy: 1.99048746652827
Energy: 1.49531949401988
Energy: 1.5467330133641461
Energy: 1.576865531788469
Energy: 1.4575975994598198
Energy: 1.576865531788469
Energy: 1.482293145711238
Energy: 1.5911845754969565
Energy: 1.4735476831092025
Energy: 1.5911845754881382
Energy: 1.478560149033642
Energy: 1.568327932052096
Energy: 1.462588603060481
Energy: 1.5683279320512942
Energy: 1.515733263038508
Energy: 1.5747616445990935
Energy: 1.463400534395142
Energy: 1.5747616445998953
Energy: 1.5011725968883411
Energy: 1.496279090539981
Energy: 1.5147473652643353
Energy: 1.496279090539981
Energy: 1.4938924310191324
Energy: 1.5057883875349902
Energy: 1.5083369156994817
Energy: 1.5057883875349902
Energy: 1.4935986455504315
Energy: 1.4885283953840565
Energy: 1.4689437319095315
Energy: 1.4885283953832549
Energy: 1.5218288992696938
Energy: 1.494778297297612
Energy: 1.4894328295827388
Energy: 1.494778297297612
Energy: 1.4670352436874443
Energy: 1.453724719491997
Energy: 1.5571767032279697
Energy: 1.4537247194911953
Energy: 1.8674707700981568
Energy: 1.581597255453889
Energy: 1.4646958273524069
Energy: 1.5815972554570954
Energy: 1.476564389637335
Energy: 1.4692922538159505
Energy: 1.7693105834064138
Energy: 1.469292253816752
Energy: 1.9988966407047886
Energy: 1.6396358911753897
Energy: 1.4698163421805592
Energy: 1.6396358911753897
Energy: 1.459003408448339
Energy: 1.4735527113914113
Energy: 1.7413351851852688
Energy: 1.4735527113914113
Energy: 1.7127115930608363
Energy: 1.5743878373210156
Energy: 1.4772261453299416
Energy: 1.5743878373218172
Energy: 1.4679226831450383
Energy: 1.8054137649126865
Energy: 1.5103899472748328
Energy: 1.805413764911083

minimum gb energy = 1.4511653454366362 eV
minimum distance =  2.21786841311942 Angstroms
sigma value = 1


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

Energy: 1.5978588022952789
Energy: 1.5989276484129318
Energy: 1.9659032318625935
Energy: 1.59892764841404
Energy: 1.568338904903451
Energy: 1.5504721542484956
Energy: 1.4322243120653275
Energy: 1.550472154249604
Energy: 1.4161892398526092
Energy: 1.4414013244890258
Energy: 1.6915457610343947
Energy: 1.441401324490134
Energy: 1.4557086740271674
Energy: 1.547506336130042
Energy: 1.4317433865662526
Energy: 1.5475063361311507
Energy: 1.4272725406705988
Energy: 1.4414283835886372
Energy: 1.7654467479745697
Energy: 1.4414283835886372
Energy: 1.4035040937387713
Energy: 1.445111671060814
Energy: 1.4320120716265876
Energy: 1.445111671060814
Energy: 1.415936473582533
Energy: 1.5931406401356447
Energy: 1.4347541072775931
Energy: 1.5931406401367532
Energy: 1.4129311322313134
Energy: 1.44494685124318
Energy: 1.4294255592787606
Energy: 1.44494685124318
Energy: 1.4408835528195476
Energy: 1.4516652874203748
Energy: 1.4587568864497638
Energy: 1.451665287421483
Energy: 1.4411540240969756
Energy: 1.4526794538116745
Energy: 1.4843797740133275
Energy: 1.4526794538116745
Energy: 1.4134338151810508
Energy: 1.445079824830657
Energy: 1.458950734588476
Energy: 1.4450798248317653
Energy: 1.4166882959033158
Energy: 1.57685016296338
Energy: 1.6403671064521286
Energy: 1.57685016296338
Energy: 1.4047365088197905
Energy: 1.4446616250570994
Energy: 1.433803203403647
Energy: 1.4446616250582078
Energy: 1.4289877044004315
Energy: 1.44860140055975
Energy: 1.4418556588272766
Energy: 1.448601400561967
Energy: 1.5873698943075503
Energy: 1.5436814323315213
Energy: 1.434125914290502
Energy: 1.5436814323315213
Energy: 1.4159608127147942
Energy: 1.4418849180014892
Energy: 1.8107285000009987
Energy: 1.4418849180003808
Energy: 2.0252236425197907
Energy: 1.4717675721428414
Energy: 1.4289840753830512
Energy: 1.4717675721417331
Energy: 1.5978588022941707
Energy: 1.5989276484118233
Energy: 1.9658911971899835
Energy: 1.59892764841404
Energy: 1.5683389049012342
Energy: 1.550472154249604
Energy: 1.4322243120642189
Energy: 1.550472154249604
Energy: 1.4161892398537175
Energy: 1.4414013244890258
Energy: 1.6915457610343947
Energy: 1.441401324490134
Energy: 1.4557086740282759
Energy: 1.5475063361311507
Energy: 1.4317433865651443
Energy: 1.5475063361311507
Energy: 1.4272725406705988
Energy: 1.4414283835886372
Energy: 1.7654467479745697
Energy: 1.441428383589746
Energy: 1.4035040937387713
Energy: 1.4451116710619225
Energy: 1.4320120716265876
Energy: 1.4451116710597056
Energy: 1.415936473582533
Energy: 1.5931406401356447
Energy: 1.4347541072775931
Energy: 1.5931406401367532

minimum gb energy = 1.4035040937387713 eV
minimum distance =  2.23947083510125 Angstroms
sigma value = 17


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

Energy: 1.4340117315756356
Energy: 1.4348539069664288
Energy: 1.832764913820591
Energy: 1.434853906965744
Energy: 1.6315703339579215
Energy: 1.4231163293669677
Energy: 1.4073748642413875
Energy: 1.4231163293669677
Energy: 1.4040587379732026
Energy: 1.4195414562689155
Energy: 1.7569495282390983
Energy: 1.4195414562689155
Energy: 1.5694300637325742
Energy: 1.696451437808178
Energy: 1.401698802518016
Energy: 1.696451437809548
Energy: 1.4052150993573782
Energy: 1.4348417753848932
Energy: 1.8095596240648
Energy: 1.4348417753883187
Energy: 1.4440326012804323
Energy: 1.9106549667447785
Energy: 1.416988879003297
Energy: 1.9106549667447785
Energy: 1.4343869325612155
Energy: 1.5046946440817315
Energy: 1.4192580887975905
Energy: 1.5046946440810463
Energy: 1.4300743655284316
Energy: 1.7154450867958397
Energy: 1.4014352655255897
Energy: 1.7154450867965247
Energy: 1.4349538618440616
Energy: 1.715580048388907
Energy: 1.481193514071978
Energy: 1.715580048388907
Energy: 1.420044390472604
Energy: 1.7146474073307079
Energy: 1.4165177502326176
Energy: 1.7146474073307079
Energy: 1.3959906858390698
Energy: 1.6919112889043648
Energy: 1.411293514344905
Energy: 1.6919112889043648
Energy: 1.3947287413409675
Energy: 1.499779968300975
Energy: 1.3939425703040085
Energy: 1.4997799683002895
Energy: 1.4381518614642919
Energy: 1.7073008912673935
Energy: 1.4057116810172692
Energy: 1.7073008912680785
Energy: 1.4351245003465694
Energy: 1.5237961454219573
Energy: 1.433031177296936
Energy: 1.5237961454212723
Energy: 1.4270052369499404
Energy: 1.699558309056262
Energy: 1.4466105973189265
Energy: 1.699558309056262
Energy: 1.4108827092396805
Energy: 1.4206350857923407
Energy: 1.7773385387513907
Energy: 1.4206350857923407
Energy: 1.4699912405247537
Energy: 1.700377339363004
Energy: 1.40568310317718
Energy: 1.700377339361634
Energy: 1.3955846902437223
Energy: 1.5657088148941807
Energy: 1.703797601845399
Energy: 1.565708814894866
Energy: 1.6303986818660159
Energy: 1.6959912323424031
Energy: 1.4068957826772606
Energy: 1.6959912323424031
Energy: 1.4108383968110378
Energy: 1.4197400579520143
Energy: 1.5739339838893058
Energy: 1.4197400579540698
Energy: 1.5067607187661058
Energy: 1.4130837463313262
Energy: 1.4316221634107738
Energy: 1.4130837463313262
Energy: 1.4321494258347918
Energy: 1.566862531408571
Energy: 1.509531743946723
Energy: 1.566862531409256
Energy: 1.634491272374608
Energy: 1.7078301471475001
Energy: 1.4132053301414504
Energy: 1.707830147146815
Energy: 1.4074151051565917
Energy: 1.4133539780716295
Energy: 1.6317844084293673
Energy: 1.4133539780709443
Energy: 1.499498708425222
Energy: 1.5652323295359585
Energy: 1.398057383106435
Energy: 1.5652323295366433
Energy: 1.4088286633230906
Energy: 1.5256931162343756
Energy: 1.472297872645988
Energy: 1.5256931162336906
Energy: 1.6218525772316388
Energy: 1.489233187954415
Energy: 1.4136456421220536
Energy: 1.489233187954415
Energy: 1.4461029928156923
Energy: 1.6991931091363728
Energy: 1.4269139655431422
Energy: 1.6991931091350028
Energy: 1.4331452894450172
Energy: 1.5230384065613543
Energy: 1.4291238422210955
Energy: 1.5230384065620395
Energy: 1.4056241746741012
Energy: 1.705344966344808
Energy: 1.4935986798403207
Energy: 1.705344966344808
Energy: 1.3936509464819598
Energy: 1.5228247295675998
Energy: 1.394956842206394
Energy: 1.5228247295669146
Energy: 1.40916801044723
Energy: 1.6951243170579946
Energy: 1.4050747462703936
Energy: 1.6951243170586798
Energy: 1.4137743922620516
Energy: 1.4959442852405518
Energy: 1.6322187983382646
Energy: 1.4959442852405518
Energy: 1.4848767646340135
Energy: 1.7202910521417805
Energy: 1.420047981468607
Energy: 1.7202910521410952
Energy: 1.3990931817778403
Energy: 1.4357748625568878
Energy: 1.4702954518586657
Energy: 1.4357748625568878
Energy: 1.4190711620967362
Energy: 1.5074882538865333
Energy: 1.4324459662364
Energy: 1.5074882538865333
Energy: 1.4131551205957313
Energy: 1.9083952523581391
Energy: 1.4295738989461328
Energy: 1.908395252358824
Energy: 1.806514824371554
Energy: 1.5262910059538024
Energy: 1.410936614266037
Energy: 1.5262910059544876

minimum gb energy = 1.3936509464819598 eV
minimum distance =  2.23583712000687 Angstroms
sigma value = 89


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

Energy: 1.2778433703351901
Energy: 1.2779945319564248
Energy: 2.0783667948466986
Energy: 1.2779945319564248
Energy: 1.2783254372215584
Energy: 1.3159074161992876
Energy: 1.3008953997303463
Energy: 1.3159074161992876
Energy: 1.29718424498359
Energy: 1.376376714596399
Energy: 2.2069624341779437
Energy: 1.3763767145946064
Energy: 1.3217444945170553
Energy: 1.3162988775835267
Energy: 1.3005002184779255
Energy: 1.3162988775835267
Energy: 1.2967111325930731
Energy: 1.4101494911979287
Energy: 2.1242801239049545
Energy: 1.4101494911997212
Energy: 1.2968132516339634
Energy: 1.2787739724645184
Energy: 1.2774780322443846
Energy: 1.2787739724645184
Energy: 1.2974163616394891
Energy: 1.5096316389137365
Energy: 1.2779434315685143
Energy: 1.5096316389137365
Energy: 1.3187076722525153
Energy: 1.5090195464626348
Energy: 1.3010872361582988
Energy: 1.5090195464590497
Energy: 1.2968072309842251
Energy: 1.4098453466071077
Energy: 1.2836285749081104
Energy: 1.4098453466071077
Energy: 1.3153906879476467
Energy: 1.278955223202835
Energy: 1.2966685596142002
Energy: 1.2789552232046275
Energy: 1.277632814090092
Energy: 1.316782085558751
Energy: 1.2966616957331523
Energy: 1.316782085558751
Energy: 1.2777523572478782
Energy: 1.5105595693787162
Energy: 1.3006862509091501
Energy: 1.5105595693805085
Energy: 1.2966786458942559
Energy: 1.2800947457445748
Energy: 1.3156000488680166
Energy: 1.2800947457445748
Energy: 1.2968711255137946
Energy: 1.4089774231391454
Energy: 1.2968528096858332
Energy: 1.4089774231391454
Energy: 1.2835751452925024
Energy: 1.280063773151368
Energy: 1.2966785110711407
Energy: 1.280063773151368

minimum gb energy = 1.2774780322443846 eV
minimum distance =  2.25569726651646 Angstroms
sigma value = 13


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

Energy: 1.2847538502724174
Energy: 1.251537485741929
Energy: 1.7274390831085513
Energy: 1.2515374857434316
Energy: 1.4916328297564079
Energy: 1.645728023226455
Energy: 1.2444505102710364
Energy: 1.645728023226455
Energy: 1.252899171148763
Energy: 1.4372436697280484
Energy: 1.930492423164113
Energy: 1.437243669667191
Energy: 1.2456519777450452
Energy: 1.4667781147520427
Energy: 1.2423684854625436
Energy: 1.4667781147550483
Energy: 1.2595413280134462
Energy: 1.528652186079329
Energy: 1.333144713894039
Energy: 1.528652186079329
Energy: 1.2436002671546762
Energy: 1.2845583305029773
Energy: 1.2586904297846884
Energy: 1.2845583305067338
Energy: 1.2596312551211388
Energy: 1.4508845363611735
Energy: 1.6174964218161432
Energy: 1.4508845363619247
Energy: 1.2483027077471436
Energy: 1.4634290576100248
Energy: 1.2588284507944256
Energy: 1.4634290576145328
Energy: 1.2609180956626744
Energy: 1.3489918099273104
Energy: 1.4745542775958076
Energy: 1.3489918099273104
Energy: 1.4801606154402414
Energy: 1.54909144124003
Energy: 1.2424298061940064
Energy: 1.549091441241533
Energy: 1.2604136116582156
Energy: 1.370868627736163
Energy: 1.2437480486391115
Energy: 1.3708686277384172
Energy: 1.612211293264738
Energy: 1.5487896213502559
Energy: 1.25047593259896
Energy: 1.5487896213464991
Energy: 1.2938778154300288
Energy: 1.26639108802804
Energy: 1.2583950172694727
Energy: 1.2663910880295428
Energy: 1.6246795837995234
Energy: 1.3707915350174404
Energy: 1.250476845200031
Energy: 1.3707915350249535
Energy: 1.26041607517784
Energy: 1.249214566003219
Energy: 1.2529634065998927
Energy: 1.2492145660069758
Energy: 1.241232660578133
Energy: 1.3707921930208118
Energy: 1.2394632843342055
Energy: 1.3707921930200604
Energy: 1.256848255648482
Energy: 1.336489554803791
Energy: 1.238905680071623
Energy: 1.3364895548052935
Energy: 1.2800775892891352
Energy: 1.3455852503728367
Energy: 1.2542166965061925
Energy: 1.3455852503735881
Energy: 1.2571900851053448
Energy: 1.2678857952574434
Energy: 1.2543774754675168
Energy: 1.2678857952604488
Energy: 1.2567972231604243
Energy: 1.2680149087812709
Energy: 1.254355823655769
Energy: 1.2680149087783337
Energy: 1.2805021028299037
Energy: 1.3454779878943195
Energy: 1.2544275293736904
Energy: 1.3454779878943195
Energy: 1.2567083445289597
Energy: 1.3364932475114657
Energy: 1.2389480157848938
Energy: 1.3364932475152222
Energy: 1.2410793810067167
Energy: 1.3706010296894502
Energy: 1.239306026304757
Energy: 1.3706010296886988
Energy: 1.2603786730118902
Energy: 1.2492180022229213
Energy: 1.2553206764001053
Energy: 1.2492180022229213
Energy: 1.6250493301204574
Energy: 1.5994732893142296
Energy: 1.2513595559921031
Energy: 1.599473289313478
Energy: 1.2944710360581135
Energy: 1.266491929738551
Energy: 1.2561389622722234
Energy: 1.2664919297423078
Energy: 1.6118533742513081
Energy: 1.5489299665468483
Energy: 1.250969380217831
Energy: 1.5489299665475997
Energy: 1.2597631383450612
Energy: 1.3710067168686813
Energy: 1.2428290044801964
Energy: 1.3710067168686813
Energy: 1.480093990327907
Energy: 1.5485788375977578
Energy: 1.2421040614122631
Energy: 1.548578837600012
Energy: 1.2599293057911964
Energy: 1.3488081383940962
Energy: 1.693632749517689
Energy: 1.3488081383940962
Energy: 1.2478029435689941
Energy: 1.4638054535541152
Energy: 1.2587945331529733
Energy: 1.463805453555618
Energy: 1.2598499654434914
Energy: 1.450836236031737
Energy: 1.8019700365909102
Energy: 1.4508362360302345
Energy: 1.243991859886592
Energy: 1.2823036237712204
Energy: 1.2587781735492845
Energy: 1.2823036237689662
Energy: 1.2598855991359852
Energy: 1.5285945895957476
Energy: 1.319593333292984
Energy: 1.5285945895957476
Energy: 1.2459760154426427
Energy: 1.4687076223213626
Energy: 1.2423707314377843
Energy: 1.4687076223318813

minimum gb energy = 1.238905680071623 eV
minimum distance =  2.2345237078368 Angstroms
sigma value = 37


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

Energy: 1.3588608392282608
Energy: 1.3585591478662888
Energy: 1.1879037656660851
Energy: 1.3585591478662888
Energy: 1.448728848843023
Energy: 1.5930313962663638
Energy: 1.159734319791584
Energy: 1.5930313962663638
Energy: 1.1804712180420067
Energy: 1.629625520728155
Energy: 1.5698241320812334
Energy: 1.6296255207268622
Energy: 1.3014146018404793
Energy: 1.3450399159711333
Energy: 1.1604081744799473
Energy: 1.3450399159698407
Energy: 1.1592393502666112
Energy: 1.1847573568625223
Energy: 1.3012212300810142
Energy: 1.1847573568625223
Energy: 1.1974744833309472
Energy: 1.75318614069064
Energy: 1.3044852783083831
Energy: 1.753186140693225
Energy: 1.1751897897047066
Energy: 1.9338740449761527
Energy: 1.6350548894129826
Energy: 1.9338740449774452
Energy: 1.142847735086599
Energy: 1.1858037574142466
Energy: 1.1900217457387625
Energy: 1.1858037574155393
Energy: 1.1605838490423965
Energy: 1.5924456092639874
Energy: 1.4666816892478847
Energy: 1.5924456092626946
Energy: 1.56917689495411
Energy: 1.6304626806445353
Energy: 1.3033825661292666
Energy: 1.6304626806445353
Energy: 1.1584424828300481
Energy: 1.8350425261201693
Energy: 1.3012267786768454
Energy: 1.8350425261188765
Energy: 1.544604642400084
Energy: 1.1852903481868229
Energy: 1.1603377319728578
Energy: 1.1852903481868229
Energy: 1.3007353036262244
Energy: 1.5925314451030221
Energy: 1.3651662620427751
Energy: 1.5925314451030221
Energy: 1.6371480734764745
Energy: 1.9351370197849207
Energy: 1.1426825656866608
Energy: 1.9351370197849207
Energy: 1.3577326398125387
Energy: 1.392896890880944
Energy: 1.1427526456197752
Energy: 1.392896890880944
Energy: 1.358180481442265
Energy: 1.5931220511047983
Energy: 1.1596657271213722
Energy: 1.5931220511047983
Energy: 1.3006300247469416
Energy: 1.3301560824593588
Energy: 1.1607200477823971
Energy: 1.3301560824593588
Energy: 1.3007686283465423
Energy: 1.83604764709584
Energy: 1.158390959383817
Energy: 1.83604764709584
Energy: 1.1584188719782555
Energy: 1.1866675401767122
Energy: 1.1585317355703704
Energy: 1.1866675401754194
Energy: 1.1587093014910022
Energy: 1.5929827078707313
Energy: 1.3007825961475994
Energy: 1.5929827078694387

minimum gb energy = 1.1426825656866608 eV
minimum distance =  2.22956770686166 Angstroms
sigma value = 25


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

Energy: 1.2346468079457769
Energy: 1.7571135470120038
Energy: 1.0523107793639606
Energy: 1.7571135470120038
Energy: 1.4833034739253923
Energy: 1.2984275122999276
Energy: 1.0474677639227032
Energy: 1.2984275122999276
Energy: 1.1704387362728337
Energy: 1.170869587435993
Energy: 1.3571693063980046
Energy: 1.170869587435993
Energy: 1.251859724872895
Energy: 1.440284141290015
Energy: 1.0556237172010656
Energy: 1.440284141290015
Energy: 1.0642238995916864
Energy: 1.2987448226535008
Energy: 1.1372251818343044
Energy: 1.2987448226535008
Energy: 1.1451883708606478
Energy: 1.2942773656023132
Energy: 1.0655836298632997
Energy: 1.294277365604332
Energy: 1.0504271420881686
Energy: 1.0440491613464609
Energy: 1.2526409173195228
Energy: 1.04404916134848
Energy: 1.0368358494185048
Energy: 1.4485423512954203
Energy: 1.1727351008559634
Energy: 1.448542351297439
Energy: 1.050376128131055
Energy: 1.2987646234442127
Energy: 1.6287407236482645
Energy: 1.2987646234432033
Energy: 1.0237712797064322
Energy: 1.2807650086706035
Energy: 1.1053407074776256
Energy: 1.2807650086706035
Energy: 1.0503124830944353
Energy: 1.0439548776721277
Energy: 1.5330634627364115
Energy: 1.0439548776721277
Energy: 1.3585121979154646
Energy: 1.5998959923586338
Energy: 1.172903684310343
Energy: 1.5998959923586338
Energy: 1.0579128076850188
Energy: 1.2101058606150044
Energy: 1.4067220504343296
Energy: 1.2101058606150044
Energy: 1.347534241319936
Energy: 1.3919573276145112
Energy: 1.0659541882378722
Energy: 1.391957327619558
Energy: 1.0647263717793984
Energy: 1.0412586554736138
Energy: 1.1440272181256934
Energy: 1.0412586554736138
Energy: 1.4426711577291715
Energy: 1.7074742388167705
Energy: 1.0491654588099595
Energy: 1.7074742388167705
Energy: 1.1756203516108719
Energy: 1.448281022043213
Energy: 1.0253733327929975
Energy: 1.4482810220422035
Energy: 1.4279825375019044
Energy: 1.1886243983615898
Energy: 1.0477065567401975
Energy: 1.1886243983615898
Energy: 1.2337482953365333
Energy: 1.061808556427665
Energy: 1.0240951087082748
Energy: 1.0618085564286743
Energy: 1.6748706447695474
Energy: 1.7066312989982273
Energy: 1.0489759075323624
Energy: 1.7066312989982273
Energy: 1.1755871550692223
Energy: 1.7059273827323784
Energy: 1.0375860368559695
Energy: 1.7059273827303596
Energy: 1.1703511804593587
Energy: 1.4406185256678645
Energy: 1.0594770296901097
Energy: 1.4406185256698836
Energy: 1.064553950759821
Energy: 1.42528216860812
Energy: 1.3493747195981651
Energy: 1.42528216860812
Energy: 1.143835415269219
Energy: 1.76989199541219
Energy: 1.06461282411614
Energy: 1.76989199541219
Energy: 1.0478715080615282
Energy: 1.7068839175057111
Energy: 1.4426916221309862
Energy: 1.706883917504702
Energy: 1.0310587098094637
Energy: 1.3304694495122913
Energy: 1.1701796575007963
Energy: 1.3304694495122913

minimum gb energy = 1.0237712797064322 eV
minimum distance =  2.24079732386027 Angstroms
sigma value = 41


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

Energy: 1.3499139729995386
Energy: 1.3508412060835633
Energy: 0.9564016456203378
Energy: 1.3508412060843908
Energy: 1.4173748611929105
Energy: 1.1453853048921114
Energy: 0.9446128115833392
Energy: 1.1453853048921114
Energy: 0.9724023073028184
Energy: 0.9421836072714924
Energy: 1.718517380273613
Energy: 0.9421836072714924
Energy: 1.2140231303100595
Energy: 1.3395706212516136
Energy: 0.9443292586353087
Energy: 1.3395706212507863
Energy: 0.9379951977047871
Energy: 1.370811339284549
Energy: 1.0175676376206553
Energy: 1.3708113392828938
Energy: 1.0103843816305715
Energy: 1.1445130620318427
Energy: 0.9444715984980417
Energy: 1.1445130620318427
Energy: 0.9430778165235058
Energy: 1.1451188150991733
Energy: 1.0108907066701749
Energy: 1.1451188151008285
Energy: 0.9268848211188516
Energy: 1.1644916817323994
Energy: 0.9393876651398648
Energy: 1.1644916817332267
Energy: 0.9480062421749202
Energy: 1.5232368298364123
Energy: 1.3156784704881315
Energy: 1.5232368298364123
Energy: 0.9292625799295893
Energy: 1.1360865906735242
Energy: 0.9737138384248796
Energy: 1.1360865906726965
Energy: 0.9432823014892614
Energy: 1.1477165743740452
Energy: 1.541305997874914
Energy: 1.1477165743070912
Energy: 0.9309128335736784
Energy: 1.351270031163346
Energy: 1.350938417933118
Energy: 1.351270031163346
Energy: 0.948079529804447
Energy: 1.5238340303598623
Energy: 1.6624545318242854
Energy: 1.5238340303606897
Energy: 1.2037351859705752
Energy: 1.3560841513732564
Energy: 0.9735222704159494
Energy: 1.3560841513732564
Energy: 0.9433399633343381
Energy: 1.1478545798231565
Energy: 1.3451656264083403
Energy: 1.147854579827294
Energy: 1.195350233307624
Energy: 1.3873180921182
Energy: 0.939454623202094
Energy: 1.3873180921182
Energy: 0.9478694557518526
Energy: 1.5236549243980624
Energy: 1.2481032431598662
Energy: 1.5236549243972346
Energy: 1.188783198476731
Energy: 1.3563627448485904
Energy: 0.9444957861716007
Energy: 1.3563627448485904
Energy: 0.9435017870926751
Energy: 1.1627747747757649
Energy: 0.92634434407437
Energy: 1.162774774769972
Energy: 1.1793251176465567
Energy: 1.356052709251547
Energy: 0.9480348186442662
Energy: 1.3560527092507195
Energy: 0.9773814578526857
Energy: 1.5243205968489666
Energy: 0.9302847613385141
Energy: 1.5243205968489666
Energy: 1.5407565463383386
Energy: 1.6858642550787397
Energy: 0.9446477449450488
Energy: 1.6858642550795675
Energy: 1.3550661675810993
Energy: 1.3527003482187454
Energy: 0.9308837831543644
Energy: 1.3527003482187454
Energy: 1.350262453955827
Energy: 1.5236992658068547
Energy: 0.9482246896092277
Energy: 1.523699265806027
Energy: 0.9773277371413059
Energy: 1.336031429394527
Energy: 0.9354066874806106
Energy: 1.3360314293953544
Energy: 1.3325071660135814
Energy: 1.678517532974474
Energy: 0.9444683803951073
Energy: 1.6785175329736466
Energy: 0.9432475295297771
Energy: 1.5275662852166372
Energy: 1.1950305058520503
Energy: 1.5275662852182923
Energy: 0.9384702429537642
Energy: 1.524229660122405
Energy: 0.9481204269168669
Energy: 1.5242296601215775
Energy: 0.9483518213916547
Energy: 1.3365130011021433
Energy: 1.1889859430347591
Energy: 1.3365130011029707
Energy: 0.9259565430953709
Energy: 1.5672062507119817
Energy: 0.9494122661315652
Energy: 1.5672062507111542
Energy: 0.9437472795334306
Energy: 1.3572433993962794
Energy: 1.1792209790764674
Energy: 1.3572433993962794
Energy: 0.9308217585523689
Energy: 1.5251806081971855
Energy: 0.9829875038639178
Energy: 1.5251806081963577

minimum gb energy = 0.9259565430953709 eV
minimum distance =  2.2330895285194 Angstroms
sigma value = 15


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

Energy: 1.2271379569058982
Energy: 1.5083431114989678
Energy: 1.6981863370737564
Energy: 1.5083431114996686
Energy: 1.5610452751319734
Energy: 1.3635988023547285
Energy: 0.8840437588311371
Energy: 1.3635988023540273
Energy: 0.9136875383349636
Energy: 1.2061331659569847
Energy: 1.617795584445364
Energy: 1.2061331659555825
Energy: 1.3748902729873844
Energy: 1.3689087821706076
Energy: 0.8838792422766844
Energy: 1.3689087821706076
Energy: 0.8798088478886477
Energy: 1.5154078813200997
Energy: 0.861422415435498
Energy: 1.5154078813200997
Energy: 1.0936538875464892
Energy: 1.364905216797434
Energy: 0.8840209927739804
Energy: 1.364905216797434
Energy: 0.8830516415059044
Energy: 1.2163289715951953
Energy: 0.9226216424675981
Energy: 1.2163289715930923
Energy: 0.9227487648399109
Energy: 1.2186593183738867
Energy: 0.8839754988523676
Energy: 1.2186593183745877
Energy: 0.8864136230839542
Energy: 1.5253607007632097
Energy: 1.0929209491292888
Energy: 1.5253607007625087
Energy: 0.8535056000696757
Energy: 1.366179030408694
Energy: 0.880828390331203
Energy: 1.366179030408694
Energy: 0.8832176239949074
Energy: 1.3631514107408296
Energy: 1.5277108016405734
Energy: 1.3631514107415306
Energy: 0.8564434363416479
Energy: 1.2068133209257152
Energy: 0.9146255186301478
Energy: 1.2068133209474472
Energy: 0.886282112684223
Energy: 1.5195652323943856
Energy: 1.532758105265351
Energy: 1.5195652323943856
Energy: 0.8569624396306023
Energy: 1.5089237633759627
Energy: 1.2275641677260387
Energy: 1.5089237633745605
Energy: 0.8831555591296929
Energy: 1.363353634378748
Energy: 1.5559635454987946
Energy: 1.3633536343780472
Energy: 1.0858800358345626
Energy: 1.2056402485065514
Energy: 0.9145419682738012
Energy: 1.2056402485065514
Energy: 0.8863363963569963
Energy: 1.519398896211048
Energy: 1.4760362380374197
Energy: 1.5193988962124503
Energy: 1.0817430543067639
Energy: 1.5142929251253288
Energy: 0.8807679506260978
Energy: 1.51429292512603
Energy: 0.8832994283201604
Energy: 1.3651411852229705
Energy: 1.2036416117301894
Energy: 1.3651411852229705
Energy: 1.0774710822144657
Energy: 1.0500468148490851
Energy: 0.8839265277250299
Energy: 1.0500468148483841
Energy: 0.8865428218779595
Energy: 1.3924358424817318
Energy: 1.122634016388806
Energy: 1.3924358424817318
Energy: 1.0799265229373736
Energy: 1.3784700812279735
Energy: 0.8902794373789927
Energy: 1.3784700812286748
Energy: 0.8832914831953872
Energy: 1.0459284515339689
Energy: 0.853793913449941
Energy: 1.0459284515346698
Energy: 1.4103692582648857
Energy: 1.047474272511354
Energy: 0.884079258424311
Energy: 1.047474272512756
Energy: 0.9169241559107985
Energy: 1.3923830030199567
Energy: 0.8577491050503512
Energy: 1.3923830030199567
Energy: 1.3946812336876924
Energy: 1.522646878069179
Energy: 0.8902726887621437
Energy: 1.522646878069179
Energy: 1.2301178070345793
Energy: 1.5061304103829776
Energy: 0.8572495475070836
Energy: 1.5061304103822766
Energy: 1.5510165045678943
Energy: 1.3635715566366053
Energy: 0.884072308467391
Energy: 1.3635715566373063
Energy: 0.9168785688749369
Energy: 1.5472534238384865
Energy: 0.8631438381963475
Energy: 1.5472534238370845
Energy: 1.203593080837885
Energy: 1.523007436690029
Energy: 0.8902472148237207
Energy: 1.523007436690029
Energy: 0.8832248448808864
Energy: 1.508726493026161
Energy: 1.081533407519349
Energy: 1.508726493026161
Energy: 1.1928069629967324
Energy: 1.3668516216589832
Energy: 0.8840825662006166
Energy: 1.3668516216596842
Energy: 0.8863523873711213
Energy: 1.5393556437105185
Energy: 1.0771006980673665
Energy: 1.5393556437112197
Energy: 0.8603963568518606
Energy: 1.3936971183178744
Energy: 0.8901672396593083
Energy: 1.3936971183185751
Energy: 0.8769540229059558
Energy: 1.5081279716086904
Energy: 1.079382568332323
Energy: 1.5081279716079892
Energy: 0.8532236383314743
Energy: 1.045460609342271
Energy: 0.8872134369708552
Energy: 1.045460609344374
Energy: 0.8866034788147634
Energy: 1.5393456066572264
Energy: 1.4098977837524196
Energy: 1.5393456066565252

minimum gb energy = 0.8532236383314743 eV
minimum distance =  2.26799722596422 Angstroms
sigma value = 85


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

Energy: 1.1563727224357603
Energy: 1.411421154883524
Energy: 1.068391720777166
Energy: 1.411421154883524
Energy: 1.664136809659031
Energy: 1.269036415058308
Energy: 0.811219195582222
Energy: 1.269036415058308
Energy: 1.1092067237128325
Energy: 1.1104817375654428
Energy: 1.068458380808547
Energy: 1.1104817375654428
Energy: 1.3834741238352803
Energy: 0.97990103439742
Energy: 0.810863393259677
Energy: 0.979901034398028
Energy: 0.8502574839946223
Energy: 1.0777960689670054
Energy: 0.7708925662275078
Energy: 1.0777960689663975
Energy: 1.2300436275677655
Energy: 0.9837786443847415
Energy: 0.810890385118484
Energy: 0.9837786443853495
Energy: 0.8069470019797166
Energy: 1.1317352499703917
Energy: 0.8909566983278872
Energy: 1.1317352499703917
Energy: 1.0723786746709445
Energy: 1.2688145422929138
Energy: 0.8109424580511123
Energy: 1.2688145422929138
Energy: 0.8101259997435839
Energy: 1.0922298788680875
Energy: 1.0378919313513428
Energy: 1.0922298788674796
Energy: 0.9282920529400305
Energy: 1.1317204360963524
Energy: 0.8078434049696674
Energy: 1.1317204360957445
Energy: 0.8105981297801003
Energy: 0.9836930450083727
Energy: 1.1843592836101542
Energy: 0.9836930450089807
Energy: 0.7715699197707084
Energy: 0.9805974715622191
Energy: 0.8511584584276316
Energy: 0.9805974715622191
Energy: 0.8104968044452104
Energy: 1.0926115620913783
Energy: 1.3979313738532024
Energy: 1.0926115620913783
Energy: 0.7743701288736264
Energy: 1.110065385831009
Energy: 1.1102742344492424
Energy: 1.110065385831617
Energy: 0.8105906767677685
Energy: 1.2686912721875663
Energy: 1.5207485580386162
Energy: 1.2686912721881745
Energy: 0.7734760211140798
Energy: 1.411845686082492
Energy: 1.1572124055858966
Energy: 1.411845686082492
Energy: 0.8102545813063514
Energy: 1.0927202627289212
Energy: 1.5214029305097474
Energy: 1.0927202627289212
Energy: 0.9776597963975595
Energy: 1.1100893645972254
Energy: 1.1102622430624303
Energy: 1.1100893645966174
Energy: 0.8106205917241359
Energy: 1.2685349148501388
Energy: 1.3831457637727935
Energy: 1.2685349148501388
Energy: 0.9683043747154633
Energy: 1.4365173147366601
Energy: 0.8509793194435329
Energy: 1.4365173147366601
Energy: 0.810204542652093
Energy: 1.0938855078092349
Energy: 1.2297338232480943
Energy: 1.0938855078092349
Energy: 0.9664225072710003
Energy: 1.1359281250188784
Energy: 0.8078801534230539
Energy: 1.1359281250188784
Energy: 0.8104247116411989
Energy: 1.2688838299544427
Energy: 1.072991500316575
Energy: 1.2688838299544427
Energy: 0.9722472572158675
Energy: 1.0055466244173306
Energy: 0.8109251320084416
Energy: 1.0055466240526942
Energy: 0.810354478688593
Energy: 0.9798841369523502
Energy: 0.9258330575552387
Energy: 0.9798841369523502
Energy: 1.2624611525157616
Energy: 1.1103231368229673
Energy: 0.81186824398179
Energy: 1.1103231368229673
Energy: 0.8532902326048133
Energy: 0.9802620291545695
Energy: 0.7712424516256614
Energy: 0.9802620291539614
Energy: 1.2572841805356962
Energy: 1.4325719514288446
Energy: 0.8102577965251756
Energy: 1.4325719514294528
Energy: 1.1125256351797175
Energy: 1.1105047239016914
Energy: 0.7745518401889365
Energy: 1.1105047239022996
Energy: 1.5212289041514138
Energy: 1.2683967958622553
Energy: 0.8119172663015013
Energy: 1.2683967958622553
Energy: 1.159411276330876
Energy: 1.4129045648175034
Energy: 0.7738943427477974
Energy: 1.4129045648175034
Energy: 1.4064272517806946
Energy: 1.4324927988733662
Energy: 0.8110888635400484
Energy: 1.432492798872758
Energy: 1.1127798482048907
Energy: 1.1102258410100363
Energy: 0.7843030318935093
Energy: 1.1102258410100363
Energy: 1.3836341234667466
Energy: 1.2684792398171905
Energy: 0.8100666686490148
Energy: 1.2684792398177982
Energy: 0.8536287482330601
Energy: 1.4371960212594275
Energy: 0.9686636542441864
Energy: 1.4371960212594275
Energy: 1.078174048029581
Energy: 1.4256820019763192
Energy: 0.8111462198916718
Energy: 1.4256820019763192
Energy: 0.8105287816107837
Energy: 1.1098770974057668
Energy: 0.9658527877001339
Energy: 1.1098770974051586
Energy: 1.0644868296633838
Energy: 1.1100900488599086
Energy: 0.8118190653091593
Energy: 1.1100900488617325
Energy: 0.8104938978324282
Energy: 1.3992774746167744
Energy: 0.9723099016703534
Energy: 1.3992774746173824
Energy: 0.7801190395904034
Energy: 1.3194607565874685
Energy: 0.8071168379969696
Energy: 1.3194607565874685
Energy: 0.8101793403773381
Energy: 1.1103941967128879
Energy: 1.2620999520552987
Energy: 1.1103941967116717
Energy: 0.7709136045161827
Energy: 0.9798195399384606
Energy: 0.8502514420228997
Energy: 0.9798195399384606
Energy: 0.8106473953124793
Energy: 1.3995595442542998
Energy: 1.2568963229489154
Energy: 1.3995595442542998

minimum gb energy = 0.7708925662275078 eV
minimum distance =  2.25679124256456 Angstroms
sigma value = 113


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

Energy: 0.020524472529872332
Energy: 0.02143834790873638
Energy: 1.2236213723765992
Energy: 0.02143834790920378
Energy: 1.2229141550971472
Energy: 0.45538818792653707
Energy: 0.45468906288307515
Energy: 0.45538818792518687
Energy: 0.02052447252945687
Energy: 0.02143834790873638
Energy: 1.223586320953868
Energy: 0.02143834790920378
Energy: 1.2229141550976144
Energy: 0.4553881879260697
Energy: 0.45468906273002707
Energy: 0.4553881879256542
Energy: 0.020524472529872332
Energy: 0.02143834790873638
Energy: 1.2236394882186241
Energy: 0.02143834790920378
Energy: 1.2229141550971472
Energy: 0.45538818792653707
Energy: 0.4546890632220453
Energy: 0.45538818792518687

minimum gb energy = 0.02052447252945687 eV
minimum distance =  2.48492824440545 Angstroms
sigma value = 1