Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456787586208
cohesive_energy=4.178986868850123
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.1133190455450198e-23, 8.32032756509076e-20, 2.20296082821732e-19, 3.33994547653542e-19, 4.08463717601862e-19, 4.467621478609979e-19, 4.66331133268674e-19, 4.854066482730779e-19, 5.067075866221079e-19, 5.29453688295006e-19, 5.5267403425156795e-19, 5.7529356397038e-19, 5.963493692944079e-19, 6.15114062031816e-19, 6.31118204428842e-19, 6.441310830501899e-19, 6.54107836950108e-19, 6.611381880201e-19, 6.654015800431739e-19, 6.67708714396134e-19, 6.690561449453279e-19, 6.6949514134304395e-19, 6.6902089705938e-19, 6.67489216197276e-19, 6.64701428854116e-19, 6.60430025947872e-19, 6.54394626567594e-19, 6.46263580150044e-19, 6.3563153600682e-19, 6.22006625911284e-19, 6.04788033625686e-19, 5.832307470152159e-19, 5.56416718868592e-19, 5.23195586362602e-19, 4.82112573113574e-19, 4.3132197163913997e-19, 3.6844454963781e-19, 2.9038650402932996e-19, 1.93071897456804e-19, 7.105236805865159e-20, -1.008996370087644e-19, -3.5172263210875197e-19, -6.78364791188868e-19, -1.0811808361558798e-18, -1.5777610642744739e-18, -2.20917727355724e-18, -3.1257825258686396e-18, -4.641249360436559e-18, -6.8696527536018e-18, -1.0165586438001239e-17, -1.590942171442392e-17, -2.79454852855548e-17]
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: 0.015458282873956546
Energy: 1.4854936247536468
Energy: 1.4359172333139734
Energy: 0.016770607762573025
Energy: 0.01583467324071873
Energy: 1.6293029862941102
Energy: 0.01609391295454047
Energy: 0.17528009453385945
Energy: 0.20380531645282882
Energy: 0.3462045080490127
Energy: 0.174842755856056
Energy: 0.34493538149757386
Energy: 0.34428229365507684
Energy: 0.17491230564827676
Energy: 0.17550319228277175
Energy: 0.20678273409291958
Energy: 0.34546233130519505
Energy: 0.1752475754466486
Energy: 0.17553845235592605
Energy: 0.3446935921423256
Energy: 0.1746819366918741
Energy: 0.17559309008607127
Energy: 0.20354265890547488
Energy: 0.3471920091270831
Energy: 0.17552201592433775
Energy: 0.17516989599384786
Energy: 0.34654135264558117
Energy: 0.17566439618757076
Energy: 0.17480235199765945
Energy: 0.2032872655229033
Energy: 0.3456546465578047
Energy: 0.1765723004610313
Energy: 0.17455785476147084
Energy: 0.3454638373696556
Energy: 0.17567153554131645
Energy: 0.01584668540293103
Energy: 0.3419686424419513
Energy: 0.17559701234468406
Energy: 0.01680141594414172
Energy: 0.017176194854769646
Energy: 0.3440401480236819
Energy: 0.17508834713717672

minimum gb energy = 0.015458282873956546 eV
minimum distance =  2.47145571697323 Angstroms
sigma value = 5


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

Energy: 2.5453934082770244
Energy: 2.0910325398224745
Energy: 1.858516066554162
Energy: 1.8175654285201743
Energy: 1.685401198991267
Energy: 2.2244812199637516
Energy: 1.79155132360493
Energy: 1.6773808714313203
Energy: 1.5222761328256174
Energy: 1.6396315211488692
Energy: 1.6243136797689584
Energy: 1.5640019686632198
Energy: 1.646732709479713
Energy: 1.5583679266312636
Energy: 1.4679780448873079
Energy: 1.4111749802501745
Energy: 1.4817319280096883
Energy: 1.4173526405130281
Energy: 1.4756766556936165
Energy: 1.5017368641699915
Energy: 1.4060167851321117
Energy: 1.4311039298847064
Energy: 1.4512875683520507
Energy: 1.4289407940308227
Energy: 1.3837766714691746
Energy: 1.4186115465216236
Energy: 1.4519982680638928
Energy: 1.425213035912501
Energy: 1.4441116116147863
Energy: 1.4784942577066187
Energy: 1.4937687113935554
Energy: 1.4255976155582495
Energy: 1.431717242503449
Energy: 1.507924170396636
Energy: 1.4315854409801891
Energy: 1.46984754874824
Energy: 1.4424223523570208
Energy: 1.3922248524737804
Energy: 1.4574183203437134
Energy: 1.4394373550798316
Energy: 1.4079745708271372
Energy: 1.4360393350507077
Energy: 1.4020024849799548
Energy: 1.4239286422174633
Energy: 1.4062947884330756
Energy: 1.4501713335292026
Energy: 1.4692973739177906
Energy: 1.395660435402371
Energy: 1.431298977588103
Energy: 1.4544349449721046
Energy: 1.5191889753721186
Energy: 1.425814330389279
Energy: 1.5711082172349
Energy: 1.5238960950927984
Energy: 1.4248856376274133
Energy: 1.46635144223471
Energy: 1.5855769489426619
Energy: 1.5814353903299965
Energy: 1.6551432163769444
Energy: 1.6937044150127982
Energy: 1.6004798277140726
Energy: 1.5797186105512173
Energy: 1.6518175086360833
Energy: 1.6851243794844137
Energy: 1.572268404819745
Energy: 1.5245109131105428
Energy: 1.6922918711124286
Energy: 1.6349255534691611
Energy: 1.610510780087998
Energy: 1.6441665986636371
Energy: 1.5546571228676989
Energy: 1.5303223613319668
Energy: 1.5280015664290798
Energy: 1.6628649335971917
Energy: 1.5935412299041318
Energy: 1.5269783731776299
Energy: 1.6541631358087534
Energy: 1.5034251443883122
Energy: 1.4930760806489753
Energy: 1.3813463720074062
Energy: 1.5443254937445274
Energy: 1.5194966955666553
Energy: 1.4158516175530722
Energy: 1.5646474151969452
Energy: 1.490203657433565
Energy: 1.519605113736162
Energy: 1.433833595989674
Energy: 1.5670460638234236
Energy: 1.5552275064069734
Energy: 1.4172933157880352
Energy: 1.467222126980163
Energy: 1.4151390730487632
Energy: 1.4710807354731061
Energy: 1.5329348206283702
Energy: 1.473050016980318
Energy: 1.4419773399083713
Energy: 1.4535682904877918
Energy: 1.544558006011922
Energy: 1.3603413393290464
Energy: 1.338499195523592
Energy: 1.3692846070360112
Energy: 1.3855407073146389
Energy: 1.366783206284693
Energy: 1.36297508707896
Energy: 1.374565146906696
Energy: 1.360272613920046
Energy: 1.34359153658255
Energy: 1.4400227134510561
Energy: 1.381627285907305
Energy: 1.3910540037719816
Energy: 1.4485734241705222
Energy: 1.3746633161824344
Energy: 1.3883152174642837
Energy: 1.4826404434853298
Energy: 1.6280565263533058
Energy: 1.4304067264369806
Energy: 1.4984183552738075
Energy: 1.5260950634103687
Energy: 1.4595499471639002
Energy: 1.6504543662846138
Energy: 1.7150265952442667
Energy: 1.6523031099357475
Energy: 1.592515989809517
Energy: 1.6949263156718801
Energy: 1.6863723366016858
Energy: 1.6319040214783669
Energy: 1.5216862673994909
Energy: 1.6334000240111852
Energy: 1.574872399198864
Energy: 1.578358705091904
Energy: 1.6188191597537822
Energy: 1.578477492555968
Energy: 1.5692899204087665
Energy: 1.4439598533464122
Energy: 1.5709487665045632
Energy: 1.6359908679566126
Energy: 1.5172102505115073
Energy: 1.5509415376716336
Energy: 1.642756883053134
Energy: 1.5164739258250226
Energy: 1.5893982280955334
Energy: 1.5456600188864464
Energy: 1.5900188526859422
Energy: 1.485756624206656
Energy: 1.5109830719892343
Energy: 1.6385215421194188
Energy: 1.4484180092452223
Energy: 1.3827631187644778
Energy: 1.5611054528316326
Energy: 1.675207550416663
Energy: 1.4597471918858205
Energy: 1.5529643415272238
Energy: 1.6549232980860236
Energy: 1.4189940397495064
Energy: 1.336858811799905
Energy: 1.4418814261457518
Energy: 1.3749560136894885
Energy: 1.347384683611874
Energy: 1.373693313854569
Energy: 1.3940476314206935
Energy: 1.351550092092054
Energy: 1.348302716416022
Energy: 1.3800034626274864
Energy: 1.3823829182029934
Energy: 1.354930345462561
Energy: 1.364880440829998
Energy: 1.3592812480339411
Energy: 1.35556685682859
Energy: 1.384272479881487
Energy: 1.3996730346120763
Energy: 1.3728294887484598
Energy: 1.415926405379332
Energy: 1.4101480032416662
Energy: 1.370711146101604
Energy: 1.410888034620681
Energy: 1.4917660672181297
Energy: 1.6059823126684125
Energy: 1.5176089801717094
Energy: 1.586279586343702
Energy: 1.6181257760106926
Energy: 1.6127627309387838
Energy: 1.563301240870318
Energy: 1.7004297724142918
Energy: 1.5819014118430927
Energy: 1.6489331231110125
Energy: 1.6387729149796562
Energy: 1.747226585599886
Energy: 1.6724820334285881
Energy: 1.5812612638888162
Energy: 1.5008650691507068
Energy: 1.622556070911433
Energy: 1.5546762650359913
Energy: 1.5451714413518844
Energy: 1.615423134951602
Energy: 1.585864996486201
Energy: 1.5532629497577501
Energy: 1.670526989823329
Energy: 1.5755782623478267
Energy: 1.5210813054270949
Energy: 1.6021099932896206
Energy: 1.6226877358020377
Energy: 1.5243086010358144
Energy: 1.5524030103938942
Energy: 1.839906603150389
Energy: 1.7644847144435067
Energy: 1.6171959438421233
Energy: 1.692674081100543
Energy: 1.7415318643676867
Energy: 1.637154676909183
Energy: 1.8315539544992185
Energy: 1.643834793678927
Energy: 1.5862544098069962
Energy: 1.532712198276693
Energy: 1.5675830516931826
Energy: 1.6269787886376734
Energy: 1.5416509648384658
Energy: 1.565384582742739
Energy: 1.361918786396294
Energy: 1.357957796991136
Energy: 1.381621986650798
Energy: 1.3829724469247726
Energy: 1.3641020460014477
Energy: 1.38636783966602
Energy: 1.3701066162463085
Energy: 1.3577333533612799
Energy: 1.3523617983886218
Energy: 1.348755494599772
Energy: 1.3778268665733837
Energy: 1.388094989944667
Energy: 1.3435232703089492
Energy: 1.3865291387647338
Energy: 1.4067029033772087
Energy: 1.3738210923335263
Energy: 1.3992802102057444
Energy: 1.3980949252359034
Energy: 1.3776180066075436
Energy: 1.4240782904004767
Energy: 1.3741016173095264
Energy: 1.6809222746301336
Energy: 1.4731865848678474
Energy: 1.4355341797258143
Energy: 1.6115421873392473
Energy: 1.5544826877695366
Energy: 1.4257161144455066
Energy: 1.5854335030804543
Energy: 1.6471413643682626
Energy: 1.5527490420688228
Energy: 1.4933348895289982
Energy: 1.6861033043945255
Energy: 1.6465341386870982
Energy: 1.4827886753715582
Energy: 1.5828510292663185
Energy: 1.5786895012301554
Energy: 1.5438008803501728
Energy: 1.516397209222718
Energy: 1.5935075997122183
Energy: 1.5404534027859365
Energy: 1.507251055114841
Energy: 1.5927818205037823
Energy: 1.5145534675312162
Energy: 1.6009541368386135
Energy: 1.612597961832764
Energy: 1.6412505793840455
Energy: 1.6196754546258252
Energy: 1.581225273589036
Energy: 1.626568925450068
Energy: 1.693387838711301
Energy: 1.577165482529254
Energy: 1.6004092464951873
Energy: 1.5833683277527906
Energy: 1.6206023183778357
Energy: 1.6456318612810812
Energy: 1.6462445860146053
Energy: 1.3643235989079932
Energy: 1.3966706256872088
Energy: 1.4151902208348253
Energy: 1.5973949534312935
Energy: 1.431231895788067
Energy: 1.4129618753379307
Energy: 1.5540154429657562
Energy: 1.3584619303989398
Energy: 1.3636583272030065
Energy: 1.3777251474467203
Energy: 1.4126485584852322
Energy: 1.3887118608210673
Energy: 1.3581575440286124
Energy: 1.4094090916689612
Energy: 1.3315245366085777
Energy: 1.3831212756349485
Energy: 1.37735771607597
Energy: 1.3912397736141044
Energy: 1.3501414504927267
Energy: 1.3579100267797837
Energy: 1.3884039691624632
Energy: 1.5526070707494601
Energy: 1.5632616425008141
Energy: 1.526706760845737
Energy: 1.4926646575937192
Energy: 1.496033629601448
Energy: 1.5573347457682345
Energy: 1.5211816064719363
Energy: 1.5507962638501076
Energy: 1.5534958754655293
Energy: 1.5448383830280836
Energy: 1.5207044635567892
Energy: 1.5620068512139311
Energy: 1.5669635573466443
Energy: 1.3874714516869793
Energy: 1.4987363851684719
Energy: 1.494509017112891
Energy: 1.5787653170905083
Energy: 1.3934718650803968
Energy: 1.5445197764915954
Energy: 1.6058281779947645
Energy: 1.3781674164577125
Energy: 1.5303756314077837
Energy: 1.4968731528932178
Energy: 1.698607463039381
Energy: 1.517238746442491
Energy: 1.5186686717371898
Energy: 1.6240871781550574
Energy: 1.5270640239540998
Energy: 1.5581961619067872
Energy: 1.8050230539412893
Energy: 1.7307150903484538
Energy: 1.527633117444421
Energy: 1.6898238716243426
Energy: 1.7473675152025718
Energy: 1.7199912777271154

minimum gb energy = 1.3315245366085777 eV
minimum distance =  2.27571425469441 Angstroms
sigma value = 401


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

Energy: 2.238122349328792
Energy: 2.061764592203814
Energy: 2.036571699216213
Energy: 1.8750788686690543
Energy: 2.10542800006834
Energy: 2.161479553484365
Energy: 1.899627104915978
Energy: 1.5868463940274433
Energy: 1.547241866697705
Energy: 1.526857941960657
Energy: 1.5896815323054854
Energy: 1.4254514203738837
Energy: 1.5936129713524494
Energy: 1.6051197052757202
Energy: 1.5108350655595368
Energy: 1.5223995191642439
Energy: 1.5787972177842193
Energy: 1.3720541797065162
Energy: 1.362194091041518
Energy: 1.6028587544720512
Energy: 1.5354402762917077
Energy: 1.5551219160272578
Energy: 1.4302995096782563
Energy: 1.6147634131515105
Energy: 1.489625777101295
Energy: 1.5230248653542178
Energy: 1.4726842314553485
Energy: 1.5563857945748365
Energy: 1.5917898384717555
Energy: 1.4217678816764612
Energy: 1.582127731967376
Energy: 1.5549218832013665
Energy: 1.5049413721750053
Energy: 1.546482163562266
Energy: 1.5519333763631624
Energy: 1.513546522977145
Energy: 1.572627234889018
Energy: 1.4485067517779389
Energy: 1.537811124002031
Energy: 1.5526235271525666
Energy: 1.4787472387912362
Energy: 1.590347914250885
Energy: 1.546934701514025
Energy: 1.5226909903559829
Energy: 1.4835318149021606
Energy: 1.5233855070501277
Energy: 1.577394115117577
Energy: 1.4620055566424677
Energy: 1.5265152161596216
Energy: 1.5174207459986433
Energy: 1.4669514540171968
Energy: 1.595568328560791
Energy: 1.5458613174656144
Energy: 1.5573476181651977
Energy: 1.5692328658666723
Energy: 1.5688488978687982
Energy: 1.7530186032728368
Energy: 1.5367993406858083
Energy: 1.659336435049871
Energy: 1.8482519376165802
Energy: 1.6949161232996353
Energy: 1.6531273070223078
Energy: 1.6506846777289113
Energy: 1.799796410707625
Energy: 1.5653782261433993
Energy: 1.6616852664249127
Energy: 1.8092317895738348
Energy: 1.6860004207015375
Energy: 1.6724895621750988
Energy: 1.6294966643415034
Energy: 1.598002794726969
Energy: 1.6112475818937224
Energy: 1.650491902756595
Energy: 1.6196928912856978
Energy: 1.5848396219735728
Energy: 1.6084258170510568
Energy: 1.6711399586621674
Energy: 1.5942378345091455
Energy: 1.6249759764761493
Energy: 1.5247007887428756
Energy: 1.609183014417801
Energy: 1.6354546364438927
Energy: 1.5190723866614986
Energy: 1.6172262270164224
Energy: 1.7161300552175822
Energy: 1.7091174323922877
Energy: 1.5216988877324131
Energy: 1.6569794179517574
Energy: 1.7040903047009943
Energy: 1.539923550985769
Energy: 1.6075087516965763
Energy: 1.4396129740934196
Energy: 1.584477326267747
Energy: 1.5997545224315592
Energy: 1.5757735458785003
Energy: 1.405848503453533
Energy: 1.605129840553078
Energy: 1.558231470711562
Energy: 1.4113121537565756
Energy: 1.3974913028944476
Energy: 1.482510032562021
Energy: 1.4699711636431188
Energy: 1.4138781688709434
Energy: 1.4390947816705515
Energy: 1.4520233479318445
Energy: 1.3758051170468224
Energy: 1.4642019667239488
Energy: 1.4928040181369369
Energy: 1.4609676541129726
Energy: 1.4471610265035242
Energy: 1.474754499794359
Energy: 1.4883421411589797
Energy: 1.379138069827737
Energy: 1.5390115827198345
Energy: 1.615731541119635
Energy: 1.4154366043260749
Energy: 1.4677913980058792
Energy: 1.5796444465513633
Energy: 1.513519719036366
Energy: 1.6930560896565452
Energy: 1.6301614443826198
Energy: 1.688978998167351
Energy: 1.6363534917330649
Energy: 1.6977408518918042
Energy: 1.7868889674930146
Energy: 1.624350714224685
Energy: 1.4716118525459587
Energy: 1.6893576850463894
Energy: 1.782681578253675
Energy: 1.4668227847038224
Energy: 1.590896711486291
Energy: 1.796175635922331
Energy: 1.5929209229686647
Energy: 1.505590970360703
Energy: 1.6519012287969734
Energy: 1.7830224990745516
Energy: 1.5655181866488281
Energy: 1.4448518896175329
Energy: 1.8306805716764594
Energy: 1.656420007229027
Energy: 1.3918471361254339
Energy: 1.5245003965981596
Energy: 1.9095885470676253
Energy: 1.5477808492618352
Energy: 1.6079545888010334
Energy: 1.8582147628367003
Energy: 1.7075184937621952
Energy: 1.309308126335396
Energy: 1.5291159762679296
Energy: 1.828526595059206
Energy: 1.5419933243101651
Energy: 1.4966116723318301
Energy: 1.8337906491241616
Energy: 1.6898943527276604
Energy: 1.46923013174093
Energy: 1.471483276821325
Energy: 1.5903255992372898
Energy: 1.495295310041065
Energy: 1.4224178053223986
Energy: 1.6127415850262792
Energy: 1.4941308850192563
Energy: 1.493999565941969
Energy: 1.5100222527198681
Energy: 1.5556162597706866
Energy: 1.5455742473726288
Energy: 1.5427336030351326
Energy: 1.5669905345716484
Energy: 1.5736829349684294
Energy: 1.5616033614399059
Energy: 1.5315705839957827
Energy: 1.6092338087212141
Energy: 1.5432927428893333
Energy: 1.5022242767024496
Energy: 1.6101023506935694
Energy: 1.5392206487478288
Energy: 1.665242432140414
Energy: 1.5529988962599077
Energy: 1.61524850786808
Energy: 1.5303974550807549
Energy: 1.5430347983933246
Energy: 1.5579937623116684
Energy: 1.5742153636520335
Energy: 1.5252272785359693
Energy: 1.5078801185026667
Energy: 1.4557132269097628
Energy: 1.5621691948907959
Energy: 1.620533027607065
Energy: 1.4116470041833544
Energy: 1.5524372683747547
Energy: 1.522922747367704
Energy: 1.542551523316225
Energy: 1.5577584529592001
Energy: 1.557364464899333
Energy: 1.5757468877967562
Energy: 1.5506711917377793
Energy: 1.560087205437699
Energy: 1.66655066590824
Energy: 1.6163886266117564
Energy: 1.5704984866869138
Energy: 1.6261336051661661
Energy: 1.5859834213710886
Energy: 1.6047194039672663
Energy: 1.641334268767541
Energy: 2.086243980360458
Energy: 1.683184637628176
Energy: 1.606964910450175
Energy: 1.9446641848246284
Energy: 2.252996721425633
Energy: 1.564693386736016
Energy: 1.7838583087598914
Energy: 1.6983806852730954
Energy: 1.6042535881908233
Energy: 1.5803374362735638
Energy: 1.5821777292232493
Energy: 1.5575718503142835
Energy: 1.612062542554528
Energy: 1.6086185624259985
Energy: 1.585649626379524
Energy: 1.587938784162475
Energy: 1.6004203403147395
Energy: 1.5654940012033127
Energy: 1.6067013192122361
Energy: 1.5984911745458574
Energy: 1.6094327053849846
Energy: 1.7985530813002542
Energy: 1.661765022065433
Energy: 1.5397819858812751
Energy: 1.6849261772726438
Energy: 1.7932051646881582
Energy: 1.5218217811465509
Energy: 1.5894844326869626
Energy: 1.639247963485278
Energy: 1.5733247494211136
Energy: 1.595316625758925
Energy: 1.6081459087939236
Energy: 1.5611614730783079
Energy: 1.5503596297606008
Energy: 1.6287523978304759
Energy: 1.424372011681675
Energy: 1.3582375486221678
Energy: 1.4867333124197726
Energy: 1.4719107209943287
Energy: 1.3696150787362251
Energy: 1.4677368002272273
Energy: 1.4500773163898641
Energy: 1.409797556484743
Energy: 1.4255095776139362
Energy: 1.4476843358799731
Energy: 1.4369653139057115
Energy: 1.416380450180376
Energy: 1.4108565584666712
Energy: 1.4976499628215427
Energy: 1.403759939470425
Energy: 1.4588173910222542
Energy: 1.5384787130682305
Energy: 1.4512470466656024
Energy: 1.363298701361512
Energy: 1.5388680590233956
Energy: 1.5004074464265609
Energy: 1.5023233810047196
Energy: 1.6852554300965126
Energy: 1.7811352390881776
Energy: 1.4793914647504915
Energy: 1.6101728279865324
Energy: 1.7369079098236804
Energy: 1.5977673951914857
Energy: 1.6697986763929071
Energy: 1.5745704602332768
Energy: 1.8718425871365458
Energy: 1.4870249173526768
Energy: 1.558538897008199
Energy: 1.7863934864249031
Energy: 1.6041429958928108
Energy: 1.4967020414135548
Energy: 1.6150294481719711
Energy: 1.7478289404975518
Energy: 1.4946251057439992
Energy: 1.4638519749817287
Energy: 1.7978639619420167
Energy: 1.6334531689036453
Energy: 1.4042923029174494
Energy: 1.5016726575137882
Energy: 1.8024972344700483
Energy: 1.5416140707491641
Energy: 1.5488533862387892
Energy: 1.7748912184580627
Energy: 1.5840387209289755

minimum gb energy = 1.309308126335396 eV
minimum distance =  2.29600955942426 Angstroms
sigma value = 311


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

Energy: 1.6031346583572503
Energy: 1.8246920605470283
Energy: 1.810827528945121
Energy: 1.8126847161377408
Energy: 1.6324189869998698
Energy: 1.9167459417144255
Energy: 1.8882962259301512
Energy: 1.5970623826633625
Energy: 1.5184950500476424
Energy: 1.3659068481309338
Energy: 1.3847837789241138
Energy: 1.3784536663271274
Energy: 1.4428995973075507
Energy: 1.4922725727246842
Energy: 1.5293669801608116
Energy: 1.503190881498737
Energy: 1.4225167109870471
Energy: 1.4512842616499466
Energy: 1.542392936434633
Energy: 1.5648488142981944
Energy: 1.558096916041417
Energy: 1.5166054052413502
Energy: 1.5683801930828931
Energy: 1.5455434950476448
Energy: 1.5505847754496058
Energy: 1.564411958541579
Energy: 1.5791291865025252
Energy: 1.5499234746165844
Energy: 1.4716892141998525
Energy: 1.4532502672170566
Energy: 1.465174190865012
Energy: 1.4400167787515792
Energy: 1.5087364054894485
Energy: 1.5242331661824866
Energy: 1.5359886415148245
Energy: 1.6060164945931767
Energy: 1.5765643764012809
Energy: 1.583931891167794
Energy: 1.6243233519522258
Energy: 1.5961202126666112
Energy: 1.6224482996628131
Energy: 1.6052395830012351
Energy: 1.5881767827320954
Energy: 1.5314181319141962
Energy: 1.587836939991761
Energy: 1.5923980652230585
Energy: 1.5533852954224132
Energy: 1.5818996078565732
Energy: 1.5868548511179925
Energy: 1.6620787166452706
Energy: 1.570112672540386
Energy: 1.5778929511113395
Energy: 1.6440511161077527
Energy: 1.5969812683948048
Energy: 1.5815216105547738
Energy: 1.635080877434055
Energy: 1.679451245073525
Energy: 1.6750872446426026
Energy: 1.6831730231967192
Energy: 1.7797405369898869
Energy: 1.7632811025423498
Energy: 1.736554102791747
Energy: 1.6632661911016113
Energy: 1.648922833151117
Energy: 1.6430898594369474
Energy: 1.7379699072902537
Energy: 1.6834951240317828
Energy: 1.7353132279012617
Energy: 1.6942547023676868
Energy: 1.739793170853218
Energy: 1.674345545468212
Energy: 1.6762221887199158
Energy: 1.6379145568718472
Energy: 1.7256299310808918
Energy: 1.670924771635265
Energy: 1.6432589652040934
Energy: 1.6973327478326277
Energy: 1.619654892784465
Energy: 1.583528002825933
Energy: 1.588313928016631
Energy: 1.566131864741895
Energy: 1.5730258748965567
Energy: 1.5802399830496767
Energy: 1.6004945505732957
Energy: 1.5557951958336889
Energy: 1.584723384997139
Energy: 1.5899676271295973
Energy: 1.5780415997535258
Energy: 1.5533836345363834
Energy: 1.5512268175142157
Energy: 1.546021934060554
Energy: 1.5056515324867616
Energy: 1.4391186375505385
Energy: 1.4396181454329025
Energy: 1.4938935808066027
Energy: 1.4623019972249318
Energy: 1.4648911170188097
Energy: 1.4244710663832834
Energy: 1.55809905620818
Energy: 1.5721649707174683
Energy: 1.5158960179612924
Energy: 1.512923619299197
Energy: 1.5241060753330353
Energy: 1.5342645583006826
Energy: 1.5044824853356247
Energy: 1.5991375498195495
Energy: 1.6132978085246739
Energy: 1.5921848003824381
Energy: 1.56435236348512
Energy: 1.610717408496429
Energy: 1.6057769210346722
Energy: 1.5644049163166478
Energy: 1.5003289551426604
Energy: 1.5149506096329386
Energy: 1.5075162716043637
Energy: 1.4275561572770923
Energy: 1.5065890072932362
Energy: 1.4331795330915695
Energy: 1.4743291945227202
Energy: 1.5637508072361694
Energy: 1.623443445742619
Energy: 1.571021325049266
Energy: 1.564360491518012
Energy: 1.5932783837306563
Energy: 1.6039616319653676
Energy: 1.557475670269572
Energy: 1.583240749476212
Energy: 1.6156142644989917
Energy: 1.5617575575802274
Energy: 1.5637425118360397
Energy: 1.5990167205933912
Energy: 1.5699307502346689
Energy: 1.5585585158445079
Energy: 1.6263602548307043
Energy: 1.6846347643361486
Energy: 1.5884312057386465
Energy: 1.6340496689561226
Energy: 1.645164594369409
Energy: 1.616759833212304
Energy: 1.6389791328166956
Energy: 1.6106768896192412
Energy: 1.6774312593506173
Energy: 1.6430021006352415
Energy: 1.6907100412263198
Energy: 1.7910485555688929
Energy: 1.721872690811379
Energy: 1.7868008946183642
Energy: 1.5755147075955447
Energy: 1.6161508492629293
Energy: 1.763195000240351
Energy: 1.7927330873178449
Energy: 1.742439972792395
Energy: 1.8040371256534111
Energy: 1.6658439092747916
Energy: 1.6016856742891357
Energy: 1.5598501121677375
Energy: 1.727849455607843
Energy: 1.6709087878680773
Energy: 1.6288821889759433
Energy: 1.590761371391744
Energy: 1.5996229564849886
Energy: 1.5536270377619534
Energy: 1.5325781180080578
Energy: 1.5591170563527355
Energy: 1.6588901603608301
Energy: 1.621662105842022
Energy: 1.5681160023170555
Energy: 1.5950739835130359
Energy: 1.5120997829880434
Energy: 1.5377720547017306
Energy: 1.5895458998017389
Energy: 1.6848631213313556
Energy: 1.584887047179066
Energy: 1.5435376324173389
Energy: 1.5646648580493379
Energy: 1.393169828094561
Energy: 1.3703647249564601
Energy: 1.4149043958219631
Energy: 1.5306807902213886
Energy: 1.4033109187674389
Energy: 1.34791122892877
Energy: 1.4131664372695274
Energy: 1.4283084960281789
Energy: 1.4276998417328055
Energy: 1.5477651077068204
Energy: 1.639490158814152
Energy: 1.5687667911430632
Energy: 1.5284256843224402
Energy: 1.5094671520106404
Energy: 1.4213613516371002
Energy: 1.545413541542052
Energy: 1.5381645330581426
Energy: 1.5831746400331985
Energy: 1.538442143485662
Energy: 1.533256577388978
Energy: 1.56409485813448
Energy: 1.6039573506320544
Energy: 1.6016841412288494
Energy: 1.4610282444942952
Energy: 1.4432287312779906
Energy: 1.4793870752826674
Energy: 1.440888983046699
Energy: 1.6284397157003152
Energy: 1.5692340809539151
Energy: 1.5574702567164393
Energy: 1.5908416834634784
Energy: 1.6079742387172444
Energy: 1.60323686445923
Energy: 1.6171545189668046
Energy: 1.615698894427393
Energy: 1.5929672957710188
Energy: 1.600647113563071
Energy: 1.5764892794014294
Energy: 1.5998514595070539
Energy: 1.5928243673381226
Energy: 1.6185029287138653
Energy: 1.5780546875218953
Energy: 1.653691395191022
Energy: 1.6592390940511652
Energy: 1.6008601973315413
Energy: 1.5798933706698337
Energy: 1.6332937638492981
Energy: 1.6351556731883465
Energy: 1.6502428697934346
Energy: 1.71900818112318
Energy: 1.7966048313729737
Energy: 1.7133314905774728
Energy: 1.682319906191348
Energy: 1.7905835924150864
Energy: 1.7864923678910756
Energy: 1.7542625970674193
Energy: 1.647783853607016
Energy: 1.6697033083156056
Energy: 1.5972874176154077
Energy: 1.6054278594407936
Energy: 1.786521238406145
Energy: 1.803406011713381
Energy: 1.7390739996311695
Energy: 1.6061630422924718
Energy: 1.5699460701243038
Energy: 1.5719577718443583
Energy: 1.5726541130244325
Energy: 1.5623663723567771
Energy: 1.714940729618676
Energy: 1.6536061062803744
Energy: 1.5857707478403475
Energy: 1.4996943918000694
Energy: 1.51558092087598
Energy: 1.5653928511285826
Energy: 1.5837827902148403
Energy: 1.6132898170066639
Energy: 1.6608875324856185

minimum gb energy = 1.34791122892877 eV
minimum distance =  2.25759621641289 Angstroms
sigma value = 39


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

Energy: 1.6466937132685158
Energy: 2.0642898280961774
Energy: 1.7353482217158671
Energy: 1.6459185040175077
Energy: 1.6459386756577379
Energy: 1.725505320958641
Energy: 1.603700246012827
Energy: 1.494778391441899
Energy: 1.5104683699810635
Energy: 1.4192488133650571
Energy: 1.48625898873085
Energy: 1.4639770030461257
Energy: 1.384845415272088
Energy: 1.4603529964372308
Energy: 1.4635927971476481
Energy: 1.4103597255756188
Energy: 1.4093844166533371
Energy: 1.455117131426998
Energy: 1.5126958786483429
Energy: 1.3629519993292813
Energy: 1.4532018576309602
Energy: 1.60678644742058
Energy: 1.2701104589562375
Energy: 1.5119277260975916
Energy: 1.5333253902363664
Energy: 1.3522032840291975
Energy: 1.2669543312363167
Energy: 1.4492189731626006
Energy: 1.519628880210215
Energy: 1.4157137038018426
Energy: 1.439939300517235
Energy: 1.4317604341410162
Energy: 1.4025189193967469
Energy: 1.4609206660578467
Energy: 1.4922281639501576
Energy: 1.4731653622577905
Energy: 1.3319574462829744
Energy: 1.330854991809381
Energy: 1.4914172589675085
Energy: 1.4368353299322942
Energy: 1.326101928195543
Energy: 1.4231081700530508
Energy: 1.4767134140269795
Energy: 1.3494197868674007
Energy: 1.3944435316201391
Energy: 1.4143764439753461
Energy: 1.428720674624138
Energy: 1.374011189235274
Energy: 1.3851365137677734
Energy: 1.4160565519255603
Energy: 1.466169209143001
Energy: 1.424135080944029
Energy: 1.3659244248854172
Energy: 1.4104156054562746
Energy: 1.4534401425830439
Energy: 1.4098198990645483
Energy: 1.4871691144479795
Energy: 1.5107535056434875
Energy: 1.675620729835489
Energy: 1.4649849978311449
Energy: 1.468648087676875
Energy: 1.6397109486070993
Energy: 1.4908864927573822
Energy: 1.4946364513704293
Energy: 1.5091125852181473
Energy: 1.6915510620395269
Energy: 1.5037921961747072
Energy: 1.4841159000857465
Energy: 1.6690001098427865
Energy: 1.5570923783953077
Energy: 1.4595430129882703
Energy: 1.5046226918885088
Energy: 1.4204652754130025
Energy: 1.5021525354286112
Energy: 1.513815069691187
Energy: 1.410811812872703
Energy: 1.4936538621098046
Energy: 1.4421647892796978
Energy: 1.6842951893030196
Energy: 1.7169406703950048
Energy: 1.443246385492341
Energy: 1.5669356046240237
Energy: 1.7352331159562824
Energy: 1.5203676026874735
Energy: 1.5960599452589184
Energy: 1.676212026571922
Energy: 1.6125567838877226
Energy: 1.6602645606710436
Energy: 1.6218678031055451
Energy: 1.6829194570024115
Energy: 1.6708463705512002
Energy: 1.4978692954015551
Energy: 1.5518181592707019
Energy: 1.3952483047752633
Energy: 1.4021463884025465
Energy: 1.5068700826814319
Energy: 1.5032995797255218
Energy: 1.4426842555923898
Energy: 1.495830469527485
Energy: 1.5480788549198463
Energy: 1.6638650088145355
Energy: 1.5057964809638849
Energy: 1.5343418887398186
Energy: 1.675653392979745
Energy: 1.4975697206100935
Energy: 1.6465040509187363
Energy: 1.542601014588982
Energy: 1.5568404682458854
Energy: 1.6423447106234874
Energy: 1.6460338532190872
Energy: 1.879440456667777
Energy: 1.5967090889197981
Energy: 1.4784082837883132
Energy: 1.5101335036740307
Energy: 1.419454667829712
Energy: 1.4859831997397337
Energy: 1.4639087910607558
Energy: 1.3843512609179662
Energy: 1.4601315958848098
Energy: 1.463962914515852
Energy: 1.3448376794956833
Energy: 1.409054467849463
Energy: 1.4549885775527593
Energy: 1.513133162811059
Energy: 1.3633291685639561
Energy: 1.4524029892965895
Energy: 1.606678293507309
Energy: 1.2699484556212315
Energy: 1.5089409033674215
Energy: 1.5323546474089131
Energy: 1.351969350891682
Energy: 1.2671474425509983
Energy: 1.4493859721475766
Energy: 1.6189814662472306
Energy: 1.4146329324720892
Energy: 1.4701450785965429
Energy: 1.4306385140792894
Energy: 1.4018313291008144
Energy: 1.464937647044304
Energy: 1.430622741706911
Energy: 1.4743586299804619
Energy: 1.332074906911591
Energy: 1.3306446619351677
Energy: 1.4864173091516508
Energy: 1.4334581326770133
Energy: 1.3254751530304254
Energy: 1.4232416292623993
Energy: 1.4148038619567216
Energy: 1.3609717634567402
Energy: 1.3949551102204236
Energy: 1.4304718299480053
Energy: 1.4273315501859654
Energy: 1.3753830894727856
Energy: 1.4395650033114404
Energy: 1.416167438606375
Energy: 1.4621019537663458
Energy: 1.4133599174892606
Energy: 1.3652050290193731
Energy: 1.4067356600445786
Energy: 1.438773292493005
Energy: 1.4397346674416458
Energy: 1.4874342695807707
Energy: 1.4930440295702376
Energy: 1.6749137735538795
Energy: 1.4776275499104459
Energy: 1.4843571050110562
Energy: 1.6436417986088219
Energy: 1.494427686014209
Energy: 1.4925391282895875
Energy: 1.5223239622677387
Energy: 1.6914700390574753
Energy: 1.502908624837972
Energy: 1.4836627904918416
Energy: 1.6688750634000018
Energy: 1.5688206616345202
Energy: 1.4594217469341013
Energy: 1.504469666345005
Energy: 1.3769914191299404
Energy: 1.5021729912970796
Energy: 1.508209461741091
Energy: 1.4294838708594337
Energy: 1.5277465451205736
Energy: 1.441853044642672
Energy: 1.675339627699373
Energy: 1.7208314903390034
Energy: 1.4439466955693834
Energy: 1.5767027723901303
Energy: 1.8258297297221142
Energy: 1.5866194809875096
Energy: 1.5741088325108563
Energy: 1.6878953828548342
Energy: 1.612930821852534
Energy: 1.6604576817147347
Energy: 1.6310371004384887
Energy: 1.6765646562557948
Energy: 1.671601230373538
Energy: 1.5367162498776357
Energy: 1.5516428157332833
Energy: 1.3961301782255777
Energy: 1.4534719999320194
Energy: 1.5128935952553122
Energy: 1.4869653964591214
Energy: 1.4424375353700223
Energy: 1.4953651052949808
Energy: 1.5465315243667845
Energy: 1.663686804771934
Energy: 1.5163059224099518
Energy: 1.5346985230185548
Energy: 1.6755377526014337
Energy: 1.4968488497469117

minimum gb energy = 1.2669543312363167 eV
minimum distance =  2.30288690668892 Angstroms
sigma value = 21


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

Energy: 1.878410393734625
Energy: 1.8158318904128736
Energy: 1.5817012613495895
Energy: 1.51718644724616
Energy: 1.5760040140728457
Energy: 1.6535740668196166
Energy: 1.513335725347023
Energy: 1.4519890545654928
Energy: 1.452539100594651
Energy: 1.4498149341291595
Energy: 1.4848383413756854
Energy: 1.437371668840515
Energy: 1.4576579795120541
Energy: 1.4632094992453117
Energy: 1.4175528004539721
Energy: 1.4110407542192371
Energy: 1.4132255998029348
Energy: 1.4373792595998047
Energy: 1.4596913112798857
Energy: 1.3963200859657372
Energy: 1.4015337279136115
Energy: 1.5322641325400668
Energy: 1.3680205272241441
Energy: 1.3280102379053385
Energy: 1.4454000064443406
Energy: 1.400043657895534
Energy: 1.3545367855847175
Energy: 1.4635490839732725
Energy: 1.408374952958355
Energy: 1.3143209024907985
Energy: 1.3710896788538924
Energy: 1.3775013485579786
Energy: 1.277831854533979
Energy: 1.3218987005378864
Energy: 1.3786782789774998
Energy: 1.3197329770252262
Energy: 1.2554464281656146
Energy: 1.406503579681135
Energy: 1.3844975938576898
Energy: 1.3447784995714502
Energy: 1.2575999348237268
Energy: 1.3193538320778457
Energy: 1.3589874454043707
Energy: 1.3317218315467039
Energy: 1.2182508092774893
Energy: 1.3491483916873876
Energy: 1.3549953757320687
Energy: 1.3247339367681923
Energy: 1.3129380444597372
Energy: 1.2904982894666595
Energy: 1.3545295261324986
Energy: 1.354670646240165
Energy: 1.3118863104362706
Energy: 1.3024334080753333
Energy: 1.318931873306021
Energy: 1.3024384902847026
Energy: 1.2134608936272335
Energy: 1.2355923366024122
Energy: 1.336519518018088
Energy: 1.2681462713630938
Energy: 1.223916936185587
Energy: 1.2684998577146926
Energy: 1.3300071360488
Energy: 1.190079495325552
Energy: 1.1644902936398513
Energy: 1.3790765883583362
Energy: 1.2240580240662686
Energy: 1.099793300886946
Energy: 1.3759208638016955
Energy: 1.3315838218615812
Energy: 1.268648018219605
Energy: 1.3319761241993466
Energy: 1.264916774797874
Energy: 1.2732059135943194
Energy: 1.2852106670239523
Energy: 1.289901773537269
Energy: 1.3429669486204374
Energy: 1.3268673403362872
Energy: 1.3520887106215855
Energy: 1.2752313353122582
Energy: 1.271029835974557
Energy: 1.3019043120040095
Energy: 1.2541236301861298
Energy: 1.2892141408154145
Energy: 1.3562959566872013
Energy: 1.3322692931065907
Energy: 1.1605282187293462
Energy: 1.3215251263038537
Energy: 1.3963216537154712
Energy: 1.167292434917362
Energy: 1.2181628266537277
Energy: 1.2990681763019658
Energy: 1.3377304024041463
Energy: 1.1797077767292263
Energy: 1.3641583900193714
Energy: 1.383575707692775
Energy: 1.2312415507824919
Energy: 1.2697375549642858
Energy: 1.385113129481621
Energy: 1.313244831222598
Energy: 1.2562942730493003
Energy: 1.2814140721284788
Energy: 1.3145073095196529
Energy: 1.2659310603989478
Energy: 1.2674873881530255
Energy: 1.306372091453455
Energy: 1.3669976771613013
Energy: 1.3744466996567677
Energy: 1.3245461650718968
Energy: 1.3274928350218858
Energy: 1.4299121411141142
Energy: 1.3143826648686439
Energy: 1.2356992913997944
Energy: 1.3050321472611957
Energy: 1.3595580827244729
Energy: 1.3418571620219006
Energy: 1.354525914257987
Energy: 1.3729475195857672
Energy: 1.310680607136499
Energy: 1.2978586639214997
Energy: 1.379742937098942
Energy: 1.4197435303570358
Energy: 1.3894209381155231
Energy: 1.3489407379783338
Energy: 1.3702189879147313
Energy: 1.4301743638977509
Energy: 1.4066104798927912
Energy: 1.3501255012110847
Energy: 1.5452768932723875
Energy: 1.4301266548798526
Energy: 1.3609541334903303
Energy: 1.3606494572917223
Energy: 1.5026257439914847
Energy: 1.3977561086580128
Energy: 1.4198266028234465
Energy: 1.486450800782085
Energy: 1.4237982776233555
Energy: 1.4012296656761014
Energy: 1.4118231211955405
Energy: 1.4835118567191092
Energy: 1.359861361320901
Energy: 1.4384918995005587
Energy: 1.4408275201625502
Energy: 1.418345944040583
Energy: 1.3518770100462172
Energy: 1.4340567140950744
Energy: 1.4246261658967228
Energy: 1.4429703815849442
Energy: 1.499778129479186
Energy: 1.5207139048981158
Energy: 1.5453735617293507
Energy: 1.5358106423680644
Energy: 1.5172805977775747
Energy: 1.5271768638916197
Energy: 1.5251548076611852
Energy: 1.3813400287332285
Energy: 1.5207054651166083
Energy: 1.4412628217077992
Energy: 1.4370889395016075
Energy: 1.40748129733032
Energy: 1.4869022094474778
Energy: 1.4412458200837934
Energy: 1.4372405063494849
Energy: 1.4408298690132157
Energy: 1.494620593207633
Energy: 1.471562833186784
Energy: 1.4458763101608112
Energy: 1.4240925970362799
Energy: 1.4571056651507976
Energy: 1.5044705731482204
Energy: 1.5150057253715938
Energy: 1.4973031365965217
Energy: 1.529944021979227
Energy: 1.4527413768888036
Energy: 1.4703177991925565

minimum gb energy = 1.099793300886946 eV
minimum distance =  2.28513356605845 Angstroms
sigma value = 113


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

Energy: 1.9301619052261199
Energy: 1.467008414363034
Energy: 1.5895701220602312
Energy: 1.3662224080471186
Energy: 1.3700447625818377
Energy: 1.4367059878917976
Energy: 1.3896938023967558
Energy: 1.2289715784337243
Energy: 1.2745281264277584
Energy: 1.3737735913178641
Energy: 1.314855775392904
Energy: 1.3305082308754306
Energy: 1.373593075949337
Energy: 1.2755354733992077
Energy: 1.2891917756621427
Energy: 1.212516878692006
Energy: 1.2382902387094454
Energy: 1.321842545785766
Energy: 1.3187977611777335
Energy: 1.2111506180036478
Energy: 1.2981045005751584
Energy: 1.3420369246680706
Energy: 1.2781228914798217
Energy: 1.2311249298551472
Energy: 1.371084879138184
Energy: 1.2114066281921745
Energy: 1.2341715507484585
Energy: 1.357964953720037
Energy: 1.2049470497326726
Energy: 1.178667948547313
Energy: 1.2757416118996758
Energy: 1.2991825361982916
Energy: 1.3058174402895526
Energy: 1.1885941694434834
Energy: 1.2806982318827969
Energy: 1.1234104679949992
Energy: 1.1480181493179848
Energy: 1.210227765683609
Energy: 1.229649455799428
Energy: 1.218605424834176
Energy: 1.2118414023045978
Energy: 1.1878182911947348
Energy: 1.1738937886352223
Energy: 1.2983025011460674
Energy: 1.155036107090974
Energy: 1.2671680743736364
Energy: 1.2520690972972128
Energy: 1.1842560051137245
Energy: 1.213530838426627
Energy: 1.1369203436455917
Energy: 1.3154127054124356
Energy: 1.2404264731580548
Energy: 1.2489821723183254
Energy: 1.1945979128714537
Energy: 1.2281765074922038
Energy: 1.1940835348646017
Energy: 1.1233370267358453
Energy: 1.157253858635982
Energy: 1.249089865671633
Energy: 1.1547602555712988
Energy: 1.1456700320408728
Energy: 1.1639632072413157
Energy: 1.1873885234337478
Energy: 1.0525201277157166
Energy: 1.1118741486831967
Energy: 1.1981612325386468
Energy: 1.1492524362691408
Energy: 1.104864702720385
Energy: 1.2234354605421618
Energy: 1.1235639494331493
Energy: 1.0805240626660826
Energy: 1.1758049448073544
Energy: 1.250175638942154
Energy: 1.1263347401830226
Energy: 1.138178632911924
Energy: 1.2193401589706334
Energy: 1.161848706027314
Energy: 1.1186723862987937
Energy: 1.183635014609238
Energy: 1.1465692967386871
Energy: 1.1324423387870195
Energy: 1.1515654194772813
Energy: 1.1413089270375563
Energy: 1.1750647578032498
Energy: 1.1329476791258555
Energy: 1.1041964220731988
Energy: 1.0594147290597715
Energy: 1.12306034281661
Energy: 1.1915068215545188
Energy: 1.0753052784638946
Energy: 1.053646156560805
Energy: 1.2122204360982718
Energy: 1.0901332451115868
Energy: 1.2243043645482041
Energy: 1.144904310009243
Energy: 1.1911829884145286
Energy: 1.0952702570615265
Energy: 1.0717196904797202
Energy: 1.1848915947432102
Energy: 1.119064199515055
Energy: 1.099220466407289
Energy: 1.1248080798591389
Energy: 1.1346199095082716
Energy: 1.1299770724449192
Energy: 1.0778482231686612
Energy: 1.0599085194466076
Energy: 1.0933029091866695
Energy: 1.0924687752554434
Energy: 1.1127189136096671
Energy: 1.106332590329634
Energy: 1.1119618571047114
Energy: 1.0989102208934802
Energy: 1.0910691696670263
Energy: 1.110045499545427
Energy: 1.1047223953598935
Energy: 1.1165004095011808
Energy: 1.1178981306647797
Energy: 1.1064843933536301
Energy: 1.1191833731825884
Energy: 1.0722927117279144
Energy: 1.1029799500896906
Energy: 1.1496434292359927
Energy: 1.1205093288224433
Energy: 1.104006653359381
Energy: 1.1129466806489703
Energy: 1.1351042902639312
Energy: 1.0185288769136587
Energy: 1.0990177065032836
Energy: 1.1137011096132288
Energy: 1.0964650731517134
Energy: 1.0990033570607178
Energy: 1.0862701303455762
Energy: 1.1930120171582699
Energy: 1.0151128470764816
Energy: 1.0462608410788994
Energy: 1.1349585783636111
Energy: 1.1052581868168887
Energy: 1.0393023731951574
Energy: 1.129360600476795
Energy: 1.1232802681802485
Energy: 1.083260228891509
Energy: 1.0946270903922122
Energy: 1.1123293793926132
Energy: 1.1297533536391984
Energy: 1.093980980232697
Energy: 1.0945727452004304
Energy: 1.1302458435783465
Energy: 1.1210351979232638
Energy: 1.0938753326008042
Energy: 1.095213115820762
Energy: 1.1349535442543164
Energy: 1.1210396329293675
Energy: 1.101129819387491
Energy: 1.0675844527672032
Energy: 1.1456040335391846
Energy: 1.1409799742577176
Energy: 1.0524511925326459
Energy: 1.0769412087505326
Energy: 1.124034503348256
Energy: 1.0377917815594049
Energy: 1.0736834223939262
Energy: 1.1869242124398498
Energy: 1.0820372275089556
Energy: 1.0755184097384756
Energy: 1.1360575684352494
Energy: 1.110827981644949
Energy: 1.1368251061451948
Energy: 1.0688989937731
Energy: 1.175452842386096
Energy: 1.1262748866830015
Energy: 1.1036779520344786
Energy: 1.1012078271645376
Energy: 1.1182880525280092
Energy: 1.10867080263028
Energy: 1.0617813545535537
Energy: 1.0766343548133588
Energy: 1.121794487401555
Energy: 1.1095865881504887
Energy: 1.0961223935626139
Energy: 1.1134700764354428
Energy: 1.1127042366606394
Energy: 1.0694793043854458
Energy: 1.110024757930415
Energy: 1.1386589945799754
Energy: 1.1023776078973118
Energy: 1.0960489015614423
Energy: 1.1198142167247325
Energy: 1.0867453625650885
Energy: 1.1252644630621607
Energy: 1.0713851914426695
Energy: 1.1049507002250336
Energy: 1.1645900849770454
Energy: 1.115671541162541
Energy: 1.1003718782911807
Energy: 1.1276773146140597
Energy: 1.1666289593569825
Energy: 1.040046758081567
Energy: 1.1065625132855563
Energy: 1.2306696910051622
Energy: 1.1454771997943014
Energy: 1.0916309588025244
Energy: 1.180779251147897
Energy: 1.195775525966997
Energy: 1.0395402860407514
Energy: 1.0829489332508677
Energy: 1.2079168996456346
Energy: 1.0970360397776422
Energy: 1.076222574795757
Energy: 1.1748485481700786
Energy: 1.1446718229166983
Energy: 1.1421710968924776
Energy: 1.1448371278596468
Energy: 1.1332190272507026
Energy: 1.1329667296857886
Energy: 1.1530907091442355
Energy: 1.1847045278979025
Energy: 1.1077757314815049
Energy: 1.149231094184455
Energy: 1.1764284080942464
Energy: 1.1375676985892937
Energy: 1.1616638999950342
Energy: 1.1680323095929988
Energy: 1.1553942880641748
Energy: 1.1173787797968686
Energy: 1.163661748099143
Energy: 1.2037584683137708
Energy: 1.0884781035762163
Energy: 1.16258116045695
Energy: 1.2156302691359577
Energy: 1.102915934973701
Energy: 1.1386263436324906
Energy: 1.2127026670575944
Energy: 1.1511667240394776
Energy: 1.1007505788284389
Energy: 1.1802422454302175
Energy: 1.2459707104397377
Energy: 1.149424283156762
Energy: 1.1197152727520414
Energy: 1.1689943034242531
Energy: 1.1955581243385507
Energy: 1.1843979551001087
Energy: 1.1821054179455923
Energy: 1.1795352360613673
Energy: 1.2091318574788708
Energy: 1.1735967173426696
Energy: 1.1344028365932104
Energy: 1.1689497923693983
Energy: 1.2057779752563953
Energy: 1.1650746860458434
Energy: 1.2002875949786722
Energy: 1.2251935199590964
Energy: 1.2273884201624239
Energy: 1.1950868775347556
Energy: 1.1483300609828366
Energy: 1.140381581538312
Energy: 1.2232287607445285
Energy: 1.2250192699844877
Energy: 1.189744253165963
Energy: 1.1932304881470002
Energy: 1.2377248160369225
Energy: 1.1729305582561491
Energy: 1.257488097400955
Energy: 1.3119813092839168
Energy: 1.2201146984819677
Energy: 1.2190655047058225
Energy: 1.282480448767672
Energy: 1.2608006250016248
Energy: 1.307045035550966
Energy: 1.34877836334622
Energy: 1.3026305988154103
Energy: 1.218200012713777
Energy: 1.2315368401384095
Energy: 1.3954333499067593
Energy: 1.2251455187114053
Energy: 1.2502584068019922
Energy: 1.3094722106562855
Energy: 1.2883419085402965
Energy: 1.2877628001965842
Energy: 1.2157998933647696
Energy: 1.2615449990029532
Energy: 1.2766186216285909
Energy: 1.188848245234038
Energy: 1.3531393330851682
Energy: 1.3175244428001613
Energy: 1.2870721285994797
Energy: 1.2561742287145286
Energy: 1.3103030506524214
Energy: 1.3562455388465922
Energy: 1.3207468892617942
Energy: 1.3217826690727887
Energy: 1.3966912165161094
Energy: 1.3280308792885989
Energy: 1.3369808278118298
Energy: 1.41536273128819
Energy: 1.2770072434084818
Energy: 1.2531824124246729
Energy: 1.2944624593466807
Energy: 1.320706258657878
Energy: 1.3399656897784555
Energy: 1.2709815474173267
Energy: 1.3082718812792336
Energy: 1.2900393262919876
Energy: 1.2695830199490612
Energy: 1.3277209823529745
Energy: 1.3225880238978045
Energy: 1.3567513038773924
Energy: 1.3856228967573883
Energy: 1.2778458582723697
Energy: 1.3233700223529918
Energy: 1.3184522946111077
Energy: 1.2092636658220812
Energy: 1.308476381053294
Energy: 1.3096315355414048
Energy: 1.2329932307200782
Energy: 1.409971659955851

minimum gb energy = 1.0151128470764816 eV
minimum distance =  2.27704678447108 Angstroms
sigma value = 365


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

Energy: 1.4194443245676462
Energy: 1.3608394686219394
Energy: 1.1868776687878466
Energy: 1.1883795582016452
Energy: 1.188159127109681
Energy: 1.1877009230676316
Energy: 1.1871416848247347
Energy: 0.38983008500880234
Energy: 0.41524292208144686
Energy: 0.4640004979086538
Energy: 0.4862922246134047
Energy: 0.4861379414818138
Energy: 0.4631562513179755
Energy: 0.4630671419327402
Energy: 0.38969187873660666
Energy: 0.4155725669924658
Energy: 0.46350552466699263
Energy: 0.4648367721076481
Energy: 0.48609265355155623
Energy: 0.46409002857167353
Energy: 0.415724696297899
Energy: 1.159532678366685
Energy: 1.2181822229540846
Energy: 1.2430188176554968
Energy: 1.258636530486969
Energy: 1.3026018547888547
Energy: 1.1529995075062176
Energy: 1.152196676177285
Energy: 1.2169362743455292
Energy: 1.2175289149748763
Energy: 1.273168883404896
Energy: 1.273011554465183
Energy: 1.3024114004993452
Energy: 1.2705024258387674
Energy: 1.217105038644385
Energy: 0.39029837806289175
Energy: 0.41573223590861647
Energy: 0.4631320778418289
Energy: 0.4629974302535633
Energy: 0.4862526867622833
Energy: 0.46376002523590426
Energy: 0.4156187601683546
Energy: 1.2172033062122103
Energy: 1.2166607590939869
Energy: 1.257537305127485
Energy: 1.3050058570604368
Energy: 1.3045487210774884
Energy: 1.3023789024737178
Energy: 1.226675489491323
Energy: 1.2169390502222992
Energy: 1.2167666279861997
Energy: 1.2580221633999307
Energy: 1.3039611445442332
Energy: 1.3032539766038003
Energy: 1.304944497104226
Energy: 1.2166772560873003
Energy: 0.38980968200385924
Energy: 0.41554712379960795
Energy: 0.4638059341452998
Energy: 0.4639804910004632
Energy: 0.4860788405235735
Energy: 0.46328583575600485
Energy: 0.4159860116028534
Energy: 1.2271019696889076
Energy: 1.2271323778614815
Energy: 1.3140127658658418
Energy: 1.314793695384047
Energy: 1.272990835234361
Energy: 1.2733439991589366
Energy: 1.2256563587734626
Energy: 1.1584798186306684
Energy: 1.150046123699228
Energy: 1.1522453356444007
Energy: 1.2584973515247704
Energy: 1.3021497199233967
Energy: 1.2586056877943734
Energy: 1.154958139384747
Energy: 0.38977477798416826
Energy: 0.41548267253158083
Energy: 0.4640054476593647
Energy: 0.4860515513861613
Energy: 0.4860768168092368
Energy: 0.4632965914568364
Energy: 0.41556273973039776
Energy: 0.3896895704683953
Energy: 0.4153327644276811
Energy: 0.4630950490804195
Energy: 0.48601002083989286
Energy: 0.48625257739402183
Energy: 0.46390409694523105
Energy: 0.41560452336894665
Energy: 1.1548587301495272
Energy: 1.1560829751643122
Energy: 1.1551157546252364
Energy: 1.2590518158576738
Energy: 1.2563323335281422
Energy: 1.1536003865721465
Energy: 1.1540602174149128
Energy: 1.2271459640010425
Energy: 1.222039602948059
Energy: 1.2728399761774143
Energy: 0.48600114264024036
Energy: 0.4862450359356867
Energy: 0.463322045677723
Energy: 1.2887174096841036
Energy: 0.3898257844912184
Energy: 0.4155311771414305
Energy: 0.46349501305227037
Energy: 0.48632327057133656
Energy: 0.4859566897053177
Energy: 0.46417562333528894
Energy: 0.4157459366402162
Energy: 1.2182119360967452
Energy: 1.2170301469521536
Energy: 1.2587642634885023
Energy: 1.3030893838703692
Energy: 1.302777412571031
Energy: 1.2588057617868202
Energy: 1.152984498513572
Energy: 1.2165740810818575
Energy: 1.2267917582653443
Energy: 1.2734479082432104
Energy: 1.3020796785667996
Energy: 1.3025097871939761
Energy: 1.2693109358679364
Energy: 1.2167163092634024
Energy: 0.3903360634943078
Energy: 0.41578003364815874
Energy: 0.5411967515822561
Energy: 0.5453643311413148
Energy: 0.4639803426884766
Energy: 0.546075527134747
Energy: 0.5050442155280124
Energy: 1.217673759020012
Energy: 1.216602056984091
Energy: 1.225782261394343
Energy: 1.3026787391298236
Energy: 1.3047220613239876
Energy: 1.3021635786802754
Energy: 1.2166429033101156

minimum gb energy = 0.3896895704683953 eV
minimum distance =  2.35902827757517 Angstroms
sigma value = 23