Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.859877958893776
cohesive_energy=4.349013510620066
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 1.097032771772676e-19, 2.66517276535998e-19, 3.6419077067454e-19, 4.0453197614202596e-19, 4.3000017591609e-19, 4.610439503764739e-19, 4.96775693667942e-19, 5.33039359601898e-19, 5.66827662636324e-19, 5.963926280635259e-19, 6.209507915094779e-19, 6.40354752723852e-19, 6.54824009905506e-19, 6.648984965800979e-19, 6.72872529687516e-19, 6.79556810604564e-19, 6.85036254692844e-19, 6.893877664307879e-19, 6.926770350603899e-19, 6.949617389404739e-19, 6.9629795425323e-19, 6.96733746297678e-19, 6.962659107205499e-19, 6.947502516247859e-19, 6.91997712167574e-19, 6.87787191973422e-19, 6.81847923191184e-19, 6.738594704940599e-19, 6.63435709313256e-19, 6.5010239536510795e-19, 6.332859494146439e-19, 6.12284618096172e-19, 5.862236129675279e-19, 5.5401665827086e-19, 5.14301903867268e-19, 4.65350601168666e-19, 4.04954950773402e-19, 3.29364257181282e-19, 2.29192969670334e-19, 9.817801956058859e-20, -6.91887161979828e-20, -2.7977849253561597e-19, -5.43363785831394e-19, -8.7355476615582e-19, -1.30416376919283e-18, -1.9085929152525e-18, -2.8074941157581997e-18, -4.12618161613824e-18, -6.047175378537899e-18, -9.180984809342878e-18, -1.524121792744788e-17, -2.99872991879244e-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: 0.013399340575484905
Energy: 0.01399185113931655
Energy: 0.21923317157190647
Energy: 0.2197348450857394
Energy: 0.22050867286796882
Energy: 0.013728499339465586
Energy: 0.01399185113931655
Energy: 1.2541687987705563
Energy: 0.21927611549812015
Energy: 0.2193084124814754
Energy: 0.2194964145881117
Energy: 0.2192925747266227
Energy: 0.21923317157140537
Energy: 0.21927611549714585
Energy: 1.25517195212732
Energy: 0.013605512337615207
Energy: 0.21926595108629496
Energy: 0.21931957745437136
Energy: 0.21973484508526614
Energy: 0.21930841248197652
Energy: 0.013605512338116289
Energy: 0.013589176193311481
Energy: 0.21973902515080238
Energy: 0.21933358527548258
Energy: 0.22050867286746775
Energy: 0.2194964145866363
Energy: 0.2192659510857939
Energy: 0.21973902515080238
Energy: 1.2542654247108644
Energy: 0.2192149360056693
Energy: 0.01372849933899234
Energy: 0.21929257472614944
Energy: 0.21931957745487243
Energy: 0.21933358527353394
Energy: 0.21921493600614256
Energy: 0.01350352240714338

minimum gb energy = 0.013399340575484905 eV
minimum distance =  2.47579579155883 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.1432078683940428
Energy: 1.4049534079314543
Energy: 1.433517888299143
Energy: 1.373844079858037
Energy: 1.356466231317272
Energy: 1.4042955598088644
Energy: 1.4409246169081869
Energy: 1.4525146750609124
Energy: 1.3251148012531242
Energy: 1.3999288505009524
Energy: 1.3252284758994988
Energy: 1.43197525226329
Energy: 1.3382790788699188
Energy: 1.3242513372936173
Energy: 1.3264530270321906
Energy: 1.3486343689511129
Energy: 1.324862021430295
Energy: 1.3245525429348521
Energy: 1.340846573687614
Energy: 1.3251885974031645
Energy: 1.5203971935789762
Energy: 1.5574869199733044
Energy: 1.3253660674811856
Energy: 1.3256798795611309
Energy: 1.3493140739018188
Energy: 1.3293143059858392
Energy: 1.431865069716958
Energy: 1.5654442924357403
Energy: 1.4544444393325868
Energy: 1.4037920565836446
Energy: 1.3502546987317463
Energy: 1.4111282155024305
Energy: 1.4113649015849103
Energy: 1.3992883758294958
Energy: 1.4120865692287554
Energy: 1.410867066631709
Energy: 1.348970860097058
Energy: 1.4126865116047642
Energy: 1.4112315130998832
Energy: 1.4672562042178208
Energy: 1.4401443898548345
Energy: 1.4104740108010143
Energy: 1.44405633493669
Energy: 1.3495185083640064
Energy: 1.404931671296387
Energy: 1.4467376290292113
Energy: 1.4640862254627471
Energy: 1.4513856676135077
Energy: 1.229491456376648
Energy: 1.4122389226711756
Energy: 1.4871117378181002
Energy: 1.3479723952635774
Energy: 1.4109060666017224
Energy: 1.411107454754334
Energy: 1.2289229018865404
Energy: 1.4106799114935182
Energy: 1.4876779665209474
Energy: 1.4145068896805906
Energy: 1.4108129583147726
Energy: 1.559406854061782
Energy: 1.4447684869404063
Energy: 1.4444543361311812
Energy: 1.4317782042755856
Energy: 1.4475404475147677
Energy: 1.43122273651496
Energy: 1.445055373379125
Energy: 1.3405806987308453
Energy: 1.326380356462641
Energy: 1.3958222250756942
Energy: 1.4406726102214706
Energy: 1.3346795458931766
Energy: 1.3415592347882044
Energy: 1.3524598056391977
Energy: 1.325015683854963
Energy: 1.4593458298320223
Energy: 1.4421304825547456
Energy: 1.3255124835992467
Energy: 1.4050266185512854
Energy: 1.5654041078104444
Energy: 1.4333755342731695
Energy: 1.3298298042985555
Energy: 1.338264577300098
Energy: 1.329884040842815
Energy: 1.4411546981942027
Energy: 1.443896207129745
Energy: 1.3249677574462164
Energy: 1.324748762700005
Energy: 1.4145211052109177
Energy: 1.3250106359341878
Energy: 1.414637312730865
Energy: 1.3521139982475496
Energy: 1.325408780662691
Energy: 1.3245455523485552
Energy: 1.3414726133496744
Energy: 1.3245271640817617
Energy: 1.4320573960565393
Energy: 1.5653680945544803
Energy: 1.3251005514624103
Energy: 1.3494327806595818
Energy: 1.4514488053614727
Energy: 1.4131035600952635
Energy: 1.441955146012969
Energy: 1.3510144884426514
Energy: 1.414986064713012
Energy: 1.4123822064820306
Energy: 1.411854124081743
Energy: 1.4150347972812798
Energy: 1.4933892793408376
Energy: 1.3468241377174963
Energy: 1.4154497671050827
Energy: 1.4826791237900236
Energy: 1.3533235867712154
Energy: 1.4112719651003451
Energy: 1.4678692865036786
Energy: 1.3368418897699126
Energy: 1.4110587811124449
Energy: 1.4495152302763676
Energy: 1.4505386131032874
Energy: 1.4176861913280017
Energy: 1.4984546147635258
Energy: 1.7599044395970211
Energy: 1.4117722318698986
Energy: 1.4074746494485297
Energy: 1.4080932902036576
Energy: 1.4108422630285076
Energy: 1.485950548192359
Energy: 1.4464339415342524
Energy: 1.4134431945437171
Energy: 1.4117074813592951
Energy: 1.2311186398356406
Energy: 1.412038996474939
Energy: 1.4430405562488093
Energy: 1.4415425697159332
Energy: 1.4517933515558932
Energy: 1.4055924606590198
Energy: 1.341403518048187
Energy: 1.32585594129835
Energy: 1.4317244871062724

minimum gb energy = 1.2289229018865404 eV
minimum distance =  2.17539948708913 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.723957139581443
Energy: 1.4152637001445267
Energy: 1.4461440574937294
Energy: 1.4201511880838187
Energy: 1.4127054878104692
Energy: 1.5249189075637541
Energy: 1.6527944541628883
Energy: 1.7568839723418925
Energy: 1.3513755769133842
Energy: 1.4062331282398977
Energy: 1.3514510688892818
Energy: 1.452946436424255
Energy: 1.6217830519492364
Energy: 1.4484160660360437
Energy: 1.4601625206925872
Energy: 1.3666524068027914
Energy: 1.4608896098667394
Energy: 1.5073718601433825
Energy: 1.4910535345710416
Energy: 1.459420836094215
Energy: 1.46161980740264
Energy: 1.688753434917398
Energy: 1.4605138512150784
Energy: 1.5072948958864423
Energy: 1.5117156392437399
Energy: 1.539796808247264
Energy: 1.4623589109237833
Energy: 1.5768309429846266
Energy: 1.7071406284925
Energy: 1.5446294653686958
Energy: 1.4911305975415525
Energy: 1.577198788206962
Energy: 1.5016651817621187
Energy: 1.3868362114582216
Energy: 1.4906474896114787
Energy: 1.5518942075499629
Energy: 1.4951146509262059
Energy: 1.5554311692975349
Energy: 1.49252516606194
Energy: 1.6924982672406181
Energy: 1.498114640394865
Energy: 1.5517397060333757
Energy: 1.5842759743396202
Energy: 1.4668312407053108
Energy: 1.8280527932489181
Energy: 1.5529387415862363
Energy: 1.492836325447745
Energy: 1.4615040728498034
Energy: 1.4390545663621541
Energy: 1.459876360766037
Energy: 1.4613813297109781
Energy: 1.4927381801379582
Energy: 1.4607437050144123
Energy: 1.600414539959385
Energy: 1.4506064833514962
Energy: 1.4615305732116566
Energy: 1.491265585058257
Energy: 1.5718921849403364
Energy: 1.459752441100752
Energy: 1.5093291767457118
Energy: 1.5410643125778245
Energy: 1.4192211170949987
Energy: 1.4490398332559238
Energy: 1.559677775192636
Energy: 1.4606927551476259
Energy: 1.3521940327887103
Energy: 1.3883055906094575
Energy: 1.350495609082571
Energy: 1.3470354974159091
Energy: 1.4747722414054905
Energy: 1.348039761414007
Energy: 1.3928256880041856
Energy: 1.3417147379287124
Energy: 1.3507468231317292
Energy: 1.3467305594640482
Energy: 1.4963106163558577
Energy: 1.3477384105457468
Energy: 1.3504702772224215
Energy: 1.4615168438504318
Energy: 1.501580591235156
Energy: 1.4494156055987542
Energy: 1.6917401536725392
Energy: 1.4601747642571077
Energy: 1.3744946813728822
Energy: 1.7218252741131337
Energy: 1.5427854445176539
Energy: 1.5471253618654792
Energy: 1.5721898902606288
Energy: 1.4998270892861048
Energy: 1.5565845154702491
Energy: 1.368633726102081
Energy: 1.4992482901250477
Energy: 1.547236397449904
Energy: 1.5260697559584058
Energy: 1.5002625518709984
Energy: 1.6930894224141575
Energy: 1.5031596254956872
Energy: 1.500214567463469
Energy: 1.679387006362959
Energy: 1.5459737850183763
Energy: 1.5466857734369674
Energy: 1.4998865470340634
Energy: 1.4857369432950112
Energy: 1.5016260567720177
Energy: 1.5040610196580506
Energy: 1.657911668750876
Energy: 1.5011335455699806
Energy: 1.5891872071387827
Energy: 1.4646965502944889
Energy: 1.5540482756339349
Energy: 1.5140717466330536
Energy: 1.5839649681220882
Energy: 1.503417000561388
Energy: 1.5445232741115305
Energy: 1.3436651354612614
Energy: 1.3953829508089008
Energy: 1.460390593043449
Energy: 1.761297416038848
Energy: 1.7543666853238717
Energy: 1.3442401879688526
Energy: 1.3409858988016252
Energy: 1.3509756019496812
Energy: 1.405375469861841
Energy: 1.621284689642683
Energy: 1.3465893405767728
Energy: 1.375957995623462
Energy: 1.4057032350100849
Energy: 1.3513301003495237
Energy: 1.5033781375914281
Energy: 1.4377889894492284
Energy: 1.35120187508893
Energy: 1.3940009338491663
Energy: 1.57712975376556
Energy: 1.4610875131545524
Energy: 1.4492633078392345
Energy: 1.6222590527840735
Energy: 1.4606856305785794
Energy: 1.4652814814769088
Energy: 1.442634390491348
Energy: 1.4608112952298264
Energy: 1.5474896827716937
Energy: 1.539529010895035
Energy: 1.4492720726748143
Energy: 1.5085875575124725
Energy: 1.5796868576395398
Energy: 1.7631897163601082
Energy: 1.4609585468838082
Energy: 1.5141639403027563
Energy: 1.4638074877295855
Energy: 1.4623847727841084
Energy: 1.4058532653378009
Energy: 1.4949204265546627
Energy: 1.5530590775699515
Energy: 1.3823646005436887
Energy: 1.531208801848539
Energy: 1.393708215847065
Energy: 1.951429517278153
Energy: 1.5320317389199958
Energy: 1.533184040842248
Energy: 1.648421596782114
Energy: 1.5431301822871581
Energy: 1.5963128789471963
Energy: 1.3898960416085875
Energy: 1.5028820312769182
Energy: 1.3516856267631774
Energy: 1.474741519420803
Energy: 1.49262635575631
Energy: 1.5667185761949995
Energy: 1.493157832044657
Energy: 1.4602131093065611
Energy: 1.6165974140376638
Energy: 1.4724041770274008
Energy: 1.4621902985948363
Energy: 1.5609893665530248
Energy: 1.5273503645737339
Energy: 1.4958272674008894
Energy: 1.506708478708484
Energy: 1.4506450376382314
Energy: 1.460990427046789
Energy: 1.5804287034755033
Energy: 1.566865004527283
Energy: 1.4601075504744319
Energy: 1.4718386526883194
Energy: 1.541374392675736
Energy: 1.7067572391744303
Energy: 1.4973967498719443
Energy: 1.536364085678652
Energy: 1.3520901168338024
Energy: 1.350808737288736
Energy: 1.386971525027055
Energy: 1.3502881883967848
Energy: 1.871575855439251
Energy: 1.4347257619824454
Energy: 1.3464545432051485
Energy: 1.3463424317067327
Energy: 1.337507769186589
Energy: 1.3470614065126478
Energy: 1.46244012485724
Energy: 1.6148886574644699
Energy: 1.4492489832958175
Energy: 1.3950268405774726
Energy: 1.4042705837291973
Energy: 1.366792796590189
Energy: 1.4982585954806769
Energy: 1.567962878750056
Energy: 1.5365470973213573
Energy: 1.5447510300945748
Energy: 1.576441387035679
Energy: 1.5024780001892672
Energy: 1.599865271714387
Energy: 1.771014716205527
Energy: 1.5008237013723524
Energy: 1.500900566681182
Energy: 1.4092752586935122
Energy: 1.499642367396618
Energy: 1.5456108143241116
Energy: 1.597322668497541
Energy: 1.5928866051141017
Energy: 1.4980284078513473
Energy: 1.499066582631233
Energy: 1.3730134686248174
Energy: 1.555332165254839
Energy: 1.7703898125328836
Energy: 1.5007841139128606
Energy: 1.5017624823819913
Energy: 1.2799264454698531
Energy: 1.5542643068335686
Energy: 1.6080224075258531
Energy: 1.5658538925807324
Energy: 1.500249724941256
Energy: 1.5552410876290181
Energy: 1.7084332525732577
Energy: 1.4996274858499539
Energy: 1.6282968197202605
Energy: 1.625052481435477
Energy: 1.4489168371270447
Energy: 1.3443329612026138
Energy: 1.3438128364304023
Energy: 1.5017159611205113
Energy: 1.4487747429800673
Energy: 1.4192359090781783
Energy: 1.3500674659353171
Energy: 1.3508944521887924
Energy: 1.3427699358586576
Energy: 1.3514059412818928
Energy: 1.53786259317623

minimum gb energy = 1.2799264454698531 eV
minimum distance =  2.23216643626088 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.53951829067954
Energy: 1.5150402092347315
Energy: 1.6158366397085715
Energy: 1.6179084699738195
Energy: 1.5045934159163608
Energy: 1.5150440990055796
Energy: 1.312699338133037
Energy: 1.5405280976833626
Energy: 1.4268458392279808
Energy: 1.5816827081912466
Energy: 1.4266983533592097
Energy: 1.431323798555269
Energy: 1.5780001188073787
Energy: 1.4269394743209236
Energy: 1.4273215623990767
Energy: 1.5980493913313583
Energy: 1.426688887816622
Energy: 1.4271076482371974
Energy: 1.5072768964131398
Energy: 1.4285135985171304
Energy: 1.4280436338086007
Energy: 1.5677348115945429
Energy: 1.4283141255924914
Energy: 1.42830893858944
Energy: 1.5753623346868342
Energy: 1.43386233607223
Energy: 1.4270841788572508
Energy: 1.5979070396762376
Energy: 1.5649947197562555
Energy: 1.4334842615333192
Energy: 1.5996462803115228
Energy: 1.524797975671114
Energy: 1.5819543013382031
Energy: 1.5395290700744901
Energy: 1.5251465099340764
Energy: 1.5279287318778612
Energy: 1.5996498767426828
Energy: 1.653660294384453
Energy: 1.5428464357722242
Energy: 1.7166331815287816
Energy: 1.5488531744476073
Energy: 1.5279333301962585
Energy: 1.7019249886796954
Energy: 1.5472951893648428
Energy: 1.4489217428943584
Energy: 1.5567736561014682
Energy: 1.525712868923589
Energy: 1.4264661829180256
Energy: 1.3126584905545509
Energy: 1.427032260865813
Energy: 1.427246714807815
Energy: 1.507329409745132
Energy: 1.426568622504322
Energy: 1.510352298160618
Energy: 1.289978426675131
Energy: 1.4280933314531017
Energy: 1.5412380691570635
Energy: 1.5373785249252074
Energy: 1.428127749644878
Energy: 1.5100718899763586
Energy: 1.5795253670945897
Energy: 1.4335529985618167
Energy: 1.426670199800271
Energy: 1.5849032249336634
Energy: 1.4267505042679725
Energy: 1.4269923595189007
Energy: 1.5739746662975964
Energy: 1.428255788656559
Energy: 1.428012212422162
Energy: 1.5678338531086329
Energy: 1.4283092356169957
Energy: 1.4285381354723656
Energy: 1.5055429972228738
Energy: 1.4268802507766098
Energy: 1.4266253918913807
Energy: 1.5727240479201572
Energy: 1.4270553499046152
Energy: 1.427373901794991
Energy: 1.589508160750026
Energy: 1.5404294274203356
Energy: 1.54803109517226
Energy: 1.7037051145359114
Energy: 1.4265665773566152
Energy: 1.5444958418087733
Energy: 1.5877349323110557
Energy: 1.5249326864216735
Energy: 1.6568757976165789
Energy: 1.7643640038434172
Energy: 1.5250524594522021
Energy: 1.5249121782860904
Energy: 1.5679862253668384
Energy: 1.5252155327868586
Energy: 1.5245765670799722
Energy: 1.7180997497825161
Energy: 1.5246456712792875
Energy: 1.5248787881967356
Energy: 1.6994649122196162
Energy: 1.426650260755123
Energy: 1.6534225276097145
Energy: 1.6785656710417736
Energy: 1.4336434053207554
Energy: 1.448669332903947
Energy: 1.2904336790416353
Energy: 1.4315656160541064
Energy: 1.4283482823685894
Energy: 1.5065659964590168
Energy: 1.4279510142467782
Energy: 1.5096376654976338

minimum gb energy = 1.289978426675131 eV
minimum distance =  2.2120362015921 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.356523635915371
Energy: 1.5408393264725482
Energy: 1.6082063174968166
Energy: 1.5981144701703853
Energy: 1.5874268003191385
Energy: 1.540863406018121
Energy: 1.5395693557498276
Energy: 1.7047520048684353
Energy: 1.4462386471599484
Energy: 1.4820087978998941
Energy: 1.4468143232675221
Energy: 1.580573257300954
Energy: 1.6738994420600608
Energy: 1.5771154148527613
Energy: 1.5877905761613549
Energy: 1.5633441672324835
Energy: 1.6064161609307266
Energy: 1.6851149796754004
Energy: 1.7260097244527521
Energy: 1.5810522397100384
Energy: 1.5870242943145023
Energy: 1.662957625958671
Energy: 1.5867085026325713
Energy: 1.651475828187897
Energy: 1.7095724134116839
Energy: 1.599526420617224
Energy: 1.6338771732876072
Energy: 1.4706666307216807
Energy: 1.5879726099452018
Energy: 1.7017605848081228
Energy: 1.7352908890546423
Energy: 1.66742260434716
Energy: 1.6866806596885995
Energy: 1.4393719281529314
Energy: 1.5808720596075132
Energy: 1.6594602897184911
Energy: 1.7572763611716502
Energy: 1.6091777788194
Energy: 1.651301109864906
Energy: 1.4378846057441868
Energy: 1.6421024992252322
Energy: 1.7770925594107296
Energy: 1.670031500264116
Energy: 1.5838805256912596
Energy: 1.671479055589439
Energy: 1.511961973452275
Energy: 1.587554258445065
Energy: 1.6341381146375653
Energy: 1.4843956505546547
Energy: 1.4463794227332192
Energy: 1.4440724269757208
Energy: 1.4848253691972828
Energy: 1.4442415400663398
Energy: 1.5911143798151475
Energy: 1.4838842532224206
Energy: 1.444050955273793
Energy: 1.446220193177078
Energy: 1.4604664364186877
Energy: 1.4444404713606265
Energy: 1.6385855821868949
Energy: 1.5761779047707236
Energy: 1.5805024286500151
Energy: 1.4973793628048502
Energy: 1.5080924542465526
Energy: 1.497267709076429
Energy: 1.7304610089125725
Energy: 1.6121179423729624
Energy: 1.6380682281008865
Energy: 1.676192029188476
Energy: 1.690041924368685
Energy: 1.6314261619046282
Energy: 1.6877707812388116
Energy: 1.8550817833250661
Energy: 1.7150016362721727
Energy: 1.7285904186908225
Energy: 1.6718904125863094
Energy: 1.6824358260243588
Energy: 1.7427911893645147
Energy: 1.5951027937199063
Energy: 1.6503706402615141
Energy: 1.6751955467523727
Energy: 1.5764726539122036
Energy: 1.6773076459287264
Energy: 1.6714562791603311
Energy: 1.4603948483661398
Energy: 1.4460175628828449
Energy: 1.6307874622382919
Energy: 1.6172709706860833
Energy: 1.4976771962509892
Energy: 1.4988586811562674
Energy: 1.4804411164887459
Energy: 1.4442025903285034
Energy: 1.5214687381047367
Energy: 1.3364799971858008
Energy: 1.4442697352807206
Energy: 1.4862761255917525
Energy: 1.5392955608982941
Energy: 1.497280453562663
Energy: 1.5810185842881794
Energy: 1.675501803562709
Energy: 1.5804653820673529
Energy: 1.446515396063803
Energy: 1.6633015840629932
Energy: 1.5871075378854187
Energy: 1.6851571825358258
Energy: 1.7349493671740461
Energy: 1.5801704020773795
Energy: 1.5897359722065794
Energy: 1.6510249157133439
Energy: 1.5896526589473732
Energy: 1.5780116849452774
Energy: 1.7216506386243302
Energy: 1.5814628934171062
Energy: 1.5878230649696587
Energy: 1.4388939364086557
Energy: 1.7292587189589284
Energy: 1.5928890686977766
Energy: 1.6549910466750972
Energy: 1.5916293144847722
Energy: 1.675374378323867
Energy: 1.599606530304046
Energy: 1.58907506301019
Energy: 1.668430153500148
Energy: 1.7238476887933818
Energy: 1.5880269281463828
Energy: 1.8232996255770515
Energy: 1.339692206191797
Energy: 1.5869802221143192
Energy: 1.6278311420259215
Energy: 1.7276401110964816
Energy: 1.5994856834933813
Energy: 1.7192146804764459
Energy: 1.5127582322389
Energy: 1.4972962840820907
Energy: 1.6332909114462006
Energy: 1.6972020350966068
Energy: 1.5808851364591843
Energy: 1.497414768811467
Energy: 1.4793287285361147
Energy: 1.4441622274626191
Energy: 1.634531964080802
Energy: 1.4844970616599236
Energy: 1.4446526348328066
Energy: 1.4862443180153284
Energy: 1.4582645598604742
Energy: 1.4462887066042796
Energy: 1.4461825464982112
Energy: 1.5390516193551145
Energy: 1.4461519675338885
Energy: 1.4436940368815134
Energy: 1.508698772389527
Energy: 1.7554988908226663
Energy: 1.6328973702501914
Energy: 1.5761991159170374
Energy: 1.5881549616961554
Energy: 1.5545720719570895
Energy: 1.6694710086487028
Energy: 1.646963741555457
Energy: 1.6935257860813469
Energy: 1.70386162395355
Energy: 1.6583431006833516
Energy: 1.7755990732464135
Energy: 1.5798748315819238
Energy: 1.6778418428751893
Energy: 1.7267175244429798
Energy: 1.8812851954061913
Energy: 1.674501804682223
Energy: 1.6297044030182164
Energy: 1.5772452402238304
Energy: 1.5807387558495796
Energy: 1.5089129761107345
Energy: 1.5614783656552507
Energy: 1.5433529663802013
Energy: 1.6683347402900233
Energy: 1.3363600037613466
Energy: 1.4440672289166567
Energy: 1.443920534706511
Energy: 1.4605217655857992
Energy: 1.443998679185888
Energy: 1.5248180256245953

minimum gb energy = 1.3363600037613466 eV
minimum distance =  2.19731055373282 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.9220822515959617
Energy: 1.5925862158107729
Energy: 1.6521696149781608
Energy: 1.410099743545046
Energy: 1.5715453200397393
Energy: 1.8640129168949824
Energy: 1.2912468454771568
Energy: 1.6906973183982157
Energy: 1.5775430637256815
Energy: 1.3134143308263595
Energy: 1.4862389733741743
Energy: 1.6902364740572307
Energy: 1.395944744608787
Energy: 1.4806684590739798
Energy: 1.502514609070298
Energy: 1.3996383857150412
Energy: 1.482924036944686
Energy: 1.5050612319690126
Energy: 1.5002343567809495
Energy: 1.486175912366323
Energy: 1.486486443660447
Energy: 1.5664369670135283
Energy: 1.4862026319253834
Energy: 1.4752994912940207
Energy: 1.4036376846796887
Energy: 1.4768084006304545
Energy: 1.5893608603365919
Energy: 1.3981388798574779
Energy: 1.568779944713568
Energy: 1.4876992649994112
Energy: 1.3581317136531665
Energy: 1.4862941245630792
Energy: 1.6903864763406264
Energy: 1.3173322957956133
Energy: 1.5945456393660307
Energy: 1.5827281259291308
Energy: 1.410116481108338
Energy: 1.6531544962445544
Energy: 1.5689062982560371
Energy: 1.9222074287839541
Energy: 1.5711069290393174
Energy: 1.650962913373585
Energy: 1.3127193861482729
Energy: 1.5775392286012782
Energy: 1.690365446612633
Energy: 1.3277390398883422
Energy: 1.690557926911496
Energy: 1.5773747528521234
Energy: 1.3994887463010797
Energy: 1.4865171432969828
Energy: 1.4982915692112337
Energy: 1.3965220417731028
Energy: 1.4821014483712507
Energy: 1.7157050142160026
Energy: 1.4980407097865334
Energy: 1.4866974980753174
Energy: 1.4756694848893996
Energy: 1.5817008556096752
Energy: 1.4861391001733175
Energy: 1.487736356491388
Energy: 1.3979919625763526
Energy: 1.5896048751461431
Energy: 1.4879805423029406
Energy: 1.407067890314184
Energy: 1.4770126320519328
Energy: 1.6912627519304384
Energy: 1.5042475635610286
Energy: 1.6906527292770681
Energy: 1.583846004899335
Energy: 1.3585492645998483
Energy: 1.4859730233639574
Energy: 1.6902428528025668

minimum gb energy = 1.2912468454771568 eV
minimum distance =  2.2277303460808 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.6508774130487167
Energy: 1.6069101585567684
Energy: 1.5163869266588081
Energy: 1.520066881476355
Energy: 1.564322954700164
Energy: 1.6211074139296855
Energy: 1.525132045070632
Energy: 1.6178559779103212
Energy: 1.4374199658110656
Energy: 1.4991412227033856
Energy: 1.4377486509816055
Energy: 1.6700241600380676
Energy: 1.5811038614506554
Energy: 1.7485471908019212
Energy: 1.7164964229247426
Energy: 1.5021920605964216
Energy: 1.69636072701605
Energy: 1.7766376900550336
Energy: 1.355980932099609
Energy: 1.6914964947025766
Energy: 1.6951297525353408
Energy: 1.6254522731492487
Energy: 1.6647214935172763
Energy: 1.730574115030867
Energy: 1.4961430400955469
Energy: 1.7353267212439825
Energy: 1.7286143259758735
Energy: 1.579986583240804
Energy: 1.7307804259492146
Energy: 1.5715147354863732
Energy: 1.4924667056782368
Energy: 1.4329549364891152
Energy: 1.7547549710903227
Energy: 1.5723339439292148
Energy: 1.4343520841248625
Energy: 1.4362794267132963
Energy: 1.5289530992781408
Energy: 1.5597542646338856
Energy: 1.603911435782879
Energy: 1.7491572900567334
Energy: 1.5645180020918426
Energy: 1.5157803730393826
Energy: 1.4109120445396721
Energy: 1.4330999648669627
Energy: 1.7550301358471672
Energy: 1.572328115878939
Energy: 1.4348020378645259
Energy: 1.4065660727365692
Energy: 1.4139041027453458
Energy: 1.7110068625368842
Energy: 1.738414716569871
Energy: 1.579844713544492
Energy: 1.723646003765431
Energy: 1.4044876723044575
Energy: 1.4881130190021212
Energy: 1.6571122069401667
Energy: 1.639406836496334
Energy: 1.8738820792652477
Energy: 1.6340837401121522
Energy: 1.7075024965044983
Energy: 1.5220716286553169
Energy: 1.7060029591846873
Energy: 1.64062582750104
Energy: 1.6362783934488738
Energy: 1.6343221725028148
Energy: 1.800524550501519
Energy: 1.5254514659511746
Energy: 1.551860647022855
Energy: 1.5571726785916855
Energy: 1.5790059084908572
Energy: 1.557177274097957
Energy: 1.5207548781931
Energy: 1.5777226346130269
Energy: 1.582793348650044
Energy: 1.604555078218348
Energy: 1.501896404314302
Energy: 1.625339318325104
Energy: 1.7531040164555167
Energy: 1.5255247936230445
Energy: 1.7050534820376293
Energy: 1.5421884287332528
Energy: 1.5268321578051758
Energy: 1.5515276669810665
Energy: 1.7034783083583172
Energy: 1.5226088587013509
Energy: 1.7949244647101295
Energy: 1.5516609774025878
Energy: 1.4618811820803834
Energy: 1.57301657801308
Energy: 1.860552744367043
Energy: 1.632559627897483
Energy: 1.558140527548665
Energy: 1.5749522450305815
Energy: 1.465537899382003
Energy: 1.5594943723288481
Energy: 1.5975337376054886
Energy: 1.5218608802047224
Energy: 1.5576435174177674
Energy: 1.6222364792744852
Energy: 1.5783934713546561
Energy: 1.5548817424741075
Energy: 1.5979484642512265
Energy: 1.5213261749047993
Energy: 1.6320697021907506
Energy: 1.6696563594341638
Energy: 1.576123414911011
Energy: 1.6410039186402132
Energy: 1.6519023084405657
Energy: 1.4188668959759738
Energy: 1.6997787641852176
Energy: 1.6818969741302903
Energy: 1.6186658808147045
Energy: 1.6922592612167933
Energy: 1.7292773339399745
Energy: 1.4906616882259507
Energy: 1.6808361369143092
Energy: 1.7385902370262094
Energy: 1.5805329485922086
Energy: 1.6556062738430606
Energy: 1.6960204050414203
Energy: 1.4057660239627898
Energy: 1.4071870675291365
Energy: 1.7355511049815817
Energy: 1.569230249694089
Energy: 1.753912840587875
Energy: 1.4039441445913032
Energy: 1.4083623843532855
Energy: 1.4486251366776912
Energy: 1.5107903006737278
Energy: 1.52131629944224
Energy: 1.4427099565440344
Energy: 1.4101493990321765
Energy: 1.5016774490488523
Energy: 1.4428463590514993
Energy: 1.6325178383316379
Energy: 1.5206772047306207
Energy: 1.4381058643863238
Energy: 1.4407965617293272
Energy: 1.499183219437793
Energy: 1.7170795415896043
Energy: 1.7546299779204442
Energy: 1.5687073196981227
Energy: 1.7405376220201543
Energy: 1.4345838624686593
Energy: 1.500042611742456
Energy: 1.711980724131457
Energy: 1.7362030044059469
Energy: 1.4968410687523657
Energy: 1.7105547347362824
Energy: 1.8139856145724298
Energy: 1.4989823076298772
Energy: 1.713538982028597
Energy: 1.7057109306878628
Energy: 1.3556156544359634
Energy: 1.7004802755558648
Energy: 1.7251740237430777
Energy: 1.5819766118745695
Energy: 1.6968785979597756
Energy: 1.4356211834928279
Energy: 1.4941304889368219
Energy: 1.4346951661052083
Energy: 1.755052527536221
Energy: 1.5769532952878071
Energy: 1.4436250552561198
Energy: 1.4368943375802328
Energy: 1.480763135031925
Energy: 1.4376760628707748
Energy: 1.5552907865503773
Energy: 1.526408718648436
Energy: 1.4381480207572788
Energy: 1.4362047865471608
Energy: 1.417680793317868
Energy: 1.4367014880398503
Energy: 1.5569869169749944
Energy: 1.579771453088995
Energy: 1.7359558179892802
Energy: 1.4049691563668367
Energy: 1.4101236232273033
Energy: 1.7236924731792589
Energy: 1.7241296405451711
Energy: 1.6348958293709612
Energy: 1.6408723601371322
Energy: 1.6627591809246063
Energy: 1.489759018154691
Energy: 1.6342997651784137
Energy: 1.6693420814416273
Energy: 1.6361281717780418
Energy: 1.6338075562485825
Energy: 1.738243429734832
Energy: 1.405352982920099
Energy: 1.6981172492227132
Energy: 1.7580116290055012
Energy: 1.579824599025862
Energy: 1.5575806738570135
Energy: 1.6876591810718986
Energy: 1.520750324914143
Energy: 1.6413890135961982
Energy: 1.513569456454989
Energy: 1.5016012096685545
Energy: 1.5810166106801726
Energy: 1.5606782015275262
Energy: 1.7034223576346508
Energy: 1.5597477752545583
Energy: 1.5976553888634992
Energy: 1.545252580678657
Energy: 1.556738843680157
Energy: 1.5580942907011495
Energy: 1.578237704657404
Energy: 1.558605024610921
Energy: 1.5485418781069629
Energy: 1.4603462642573126
Energy: 1.5952325731619748
Energy: 1.7761196500594878
Energy: 1.5205597037251524
Energy: 1.7913069546419167
Energy: 1.4588551395094511
Energy: 1.5537882038126487
Energy: 1.5546688994049431
Energy: 1.5543868213586498
Energy: 1.519848512395028
Energy: 1.5584258391698067
Energy: 1.5678559660659104
Energy: 1.501152624311917
Energy: 1.5934980461298764
Energy: 1.5996219335797204
Energy: 1.8142306974085758
Energy: 1.5598642163446226
Energy: 1.5307207461094336
Energy: 1.5761540441777813
Energy: 1.5576205431790688
Energy: 1.6879969353258653
Energy: 1.52193488438177
Energy: 1.6977316819631392
Energy: 1.5149165013669768
Energy: 1.496144351569456
Energy: 1.6340481993146043
Energy: 1.7537709555539365
Energy: 1.4112389250068544
Energy: 1.7159707908045414
Energy: 1.6339454974454333
Energy: 1.5724436141982083
Energy: 1.6411588553775265
Energy: 1.6844605465618538
Energy: 1.5260521253710626
Energy: 1.6347884479184613
Energy: 1.641876885833562
Energy: 1.579164406124637
Energy: 1.7234818234110072
Energy: 1.7207349326628003
Energy: 1.4044101504474062
Energy: 1.705382313319433
Energy: 1.790436234212905
Energy: 1.5219965097274701
Energy: 1.438146583527804
Energy: 1.4403186859112747
Energy: 1.4141285346324959
Energy: 1.4382465568046936
Energy: 1.78918212279464

minimum gb energy = 1.3556156544359634 eV
minimum distance =  2.16828283328991 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.693593833172032
Energy: 1.5740509227186046
Energy: 1.2839505062769003
Energy: 1.2820303955966699
Energy: 1.4617437800112119
Energy: 1.5738806328937287
Energy: 1.902214069669681
Energy: 1.5919224805863994
Energy: 1.4247629074208075
Energy: 1.5820349268616893
Energy: 1.4351810239562615
Energy: 1.784055898762484
Energy: 1.582883262038945
Energy: 1.472631739601476
Energy: 1.5691971116849224
Energy: 1.26916537394051
Energy: 1.5690938003206445
Energy: 1.4358637635852245
Energy: 1.266901451549594
Energy: 1.5692756887641932
Energy: 1.5690674078189186
Energy: 1.478037781683018
Energy: 1.569485020926467
Energy: 1.2670635172131757
Energy: 1.2671724328366134
Energy: 1.4772640524640577
Energy: 1.5689146265511766
Energy: 1.5922660953878784
Energy: 1.5692930594343777
Energy: 1.4770232811825708
Energy: 1.2539351363279698
Energy: 1.4245984777393168
Energy: 1.57660710655478
Energy: 1.26607873131491
Energy: 1.4250986040208027
Energy: 1.4242916358122855
Energy: 1.279316062359518
Energy: 1.4612477821931154
Energy: 1.4246727534065862
Energy: 1.6074292090395819
Energy: 1.4608895852531332
Energy: 1.2808331783018396
Energy: 1.2800235376718359
Energy: 1.4233445596421166
Energy: 1.5758234037149674
Energy: 1.266819310612177
Energy: 1.4315170190932802
Energy: 1.4220989192399613
Energy: 1.277709588728089
Energy: 1.28029033647738
Energy: 1.5754838364375943
Energy: 1.5939225447184138
Energy: 1.5756337697055045
Energy: 1.2806282730912577
Energy: 1.2790008548773617
Energy: 1.423693182533902
Energy: 1.5528544697112103
Energy: 1.5532049506776051
Energy: 1.4240138217327147
Energy: 1.2803939527885473
Energy: 1.580377371773325
Energy: 1.271915008559121
Energy: 1.6203070723597337
Energy: 1.8997093261387137
Energy: 1.4239384499128378
Energy: 1.2652612967827968
Energy: 1.594218814707286
Energy: 1.604028883277891
Energy: 1.5692448391411138
Energy: 1.5825319494200711
Energy: 1.5697454941053828
Energy: 1.663749883986864
Energy: 1.5944818866804706
Energy: 1.5696833704680293
Energy: 1.4760758549675075
Energy: 1.4359591021083138
Energy: 1.6042659536721928
Energy: 1.5722820034791738
Energy: 1.5937843319203855
Energy: 1.6059809376001615
Energy: 1.4772374407536935
Energy: 1.2664196995382135
Energy: 1.5696990206921366
Energy: 1.604426741138782
Energy: 1.5838009282024053
Energy: 1.5693088279023262
Energy: 1.4308178940681455
Energy: 1.2677695999178447
Energy: 1.5676805545699652
Energy: 1.7852405079913778
Energy: 1.5858804593279467
Energy: 1.4239498560240271
Energy: 1.4249807238722922
Energy: 1.2643408904164977
Energy: 1.4243121973111172
Energy: 1.4742961152472693
Energy: 1.585939387421888
Energy: 1.4242728975168983
Energy: 1.4234365730436143
Energy: 1.2813522090275946
Energy: 1.4234946314761736
Energy: 1.4256188728688868
Energy: 1.5818717393808686
Energy: 1.5756686118054
Energy: 1.2804267563435214
Energy: 1.2781875773762594
Energy: 1.43103105199136
Energy: 1.569410917475364
Energy: 1.9024595203333174
Energy: 1.425667704560538
Energy: 1.4233161231690072
Energy: 1.4046126491967048
Energy: 1.424503369258652
Energy: 1.5768377729110734

minimum gb energy = 1.2539351363279698 eV
minimum distance =  2.17111511741034 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 2.015734807136662
Energy: 1.4312957811580527
Energy: 1.1802095703297018
Energy: 1.286814710751226
Energy: 1.3263841506323724
Energy: 1.4214282598492516
Energy: 1.9161077559993946
Energy: 1.4699428418984977
Energy: 1.4073201228559824
Energy: 1.4091481998659559
Energy: 1.4655083606387
Energy: 1.5518042155785081
Energy: 1.762040387693617
Energy: 1.5025733648441921
Energy: 1.5075809022732458
Energy: 1.4292253572250018
Energy: 1.4666144262037952
Energy: 1.5656753553511706
Energy: 1.7633753126300051
Energy: 1.499420028854607
Energy: 1.5062561978504936
Energy: 1.4266287390460997
Energy: 1.4695464605425121
Energy: 1.5629105983266391
Energy: 1.7634419660987883
Energy: 1.5035792093949085
Energy: 1.573167898109378
Energy: 1.4640885262805337
Energy: 1.5638398698296636
Energy: 1.5631647985014612
Energy: 1.7617119737390101
Energy: 1.6278135518834023
Energy: 1.5506129191631803
Energy: 1.6547946405969378
Energy: 1.5527372040048233
Energy: 1.6304180588529011
Energy: 1.42986096881383
Energy: 1.3553259973608207
Energy: 1.487839573690578
Energy: 1.530235766529997
Energy: 1.4872614870635057
Energy: 1.3427761736439963
Energy: 1.2933593384269495
Energy: 1.512013368389465
Energy: 1.4927252089698255
Energy: 1.4334598121357205
Energy: 1.4910399737864204
Energy: 1.3647431534614223
Energy: 1.4263428944234309
Energy: 1.3014884551687016
Energy: 1.4888160680271578
Energy: 1.7336695496468117
Energy: 1.4952523728954088
Energy: 1.3037166007563357
Energy: 1.4265115854453223
Energy: 1.2841456524283783
Energy: 1.2848396511421136
Energy: 1.473717917049195
Energy: 1.284360590789403
Energy: 1.2858487278331103
Energy: 1.3636643852330477
Energy: 1.2841664851037347
Energy: 1.2868610943900969
Energy: 1.5340081799583318
Energy: 1.287529454301051
Energy: 1.3057491088450472
Energy: 1.3543264346833108
Energy: 1.3129425110853101
Energy: 1.4705382908539395
Energy: 1.7004475613884902
Energy: 1.4717615142738898
Energy: 1.2978049456980902
Energy: 1.313316808870848
Energy: 1.5024809431045578
Energy: 1.4328929371062518
Energy: 1.5721880150587226
Energy: 1.4320987110959853
Energy: 1.3113978232189236
Energy: 1.2897311593134588
Energy: 1.5307940859072717
Energy: 1.4328717775001467
Energy: 1.615415805071194
Energy: 1.4340706625208541
Energy: 1.2988471019879688
Energy: 1.5722051599272275
Energy: 1.6145377961011902
Energy: 1.5620056911213895
Energy: 1.612498529996385
Energy: 1.5205101387899567
Energy: 1.5733117383760624
Energy: 1.5755782304953785
Energy: 1.4867136211790388
Energy: 1.53322439643963
Energy: 1.732054501723358
Energy: 1.5243493891642421
Energy: 1.5319809303992298
Energy: 1.5771828525195377
Energy: 1.5277251773449099
Energy: 1.5150590661211334
Energy: 1.5616341310980824
Energy: 1.4696586476283122
Energy: 1.531321362282311
Energy: 1.6515765090799401
Energy: 1.4722551138531021
Energy: 1.4763095360045606
Energy: 1.7141843493804385
Energy: 1.4748090213459308
Energy: 1.4700513694285393
Energy: 1.9417837096338273
Energy: 1.4896696423380984
Energy: 1.5808737915502868
Energy: 1.7348659777368822
Energy: 1.4934902378936663
Energy: 1.4821709523709083
Energy: 1.523963473234744
Energy: 1.4901771948324238
Energy: 1.368595415627427
Energy: 1.2285983561076388
Energy: 1.4907270348947068
Energy: 1.524338216027312
Energy: 1.9571255896253734
Energy: 1.5346590041640351
Energy: 1.3723436150517447
Energy: 1.3163632568081398
Energy: 1.486363813461375
Energy: 1.4846641501360762
Energy: 1.7593335677486979
Energy: 1.4942177853629575
Energy: 1.3698830100506163
Energy: 1.2422113488532454
Energy: 1.39252691180306
Energy: 1.548633761138168
Energy: 2.052855901420106
Energy: 1.3165179947212693
Energy: 1.3182992908729358
Energy: 1.2237118560995515
Energy: 1.319243618957735
Energy: 1.4698318254106961
Energy: 2.0532211895385255
Energy: 1.317295578390171
Energy: 1.283109838693354
Energy: 1.1963717176429483
Energy: 1.3225145960762785
Energy: 1.4662282796087796
Energy: 2.2317534099943837
Energy: 1.4518235039450513
Energy: 1.1792929162760988
Energy: 1.1807013850479824
Energy: 1.2731205915191157
Energy: 1.5318274221184764
Energy: 2.0561577400333584
Energy: 1.3233274631522574
Energy: 1.1803382388284547
Energy: 1.1822385141749878
Energy: 1.3241288013632435
Energy: 1.3761618969312956

minimum gb energy = 1.1792929162760988 eV
minimum distance =  2.15569491441265 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.077281238747653
Energy: 1.3108885870443572
Energy: 1.058464632305116
Energy: 1.1879433414843739
Energy: 1.17825165676987
Energy: 1.3962396692325711
Energy: 2.1088734683013466
Energy: 1.3399117393666382
Energy: 1.2490561769887167
Energy: 1.240958989720043
Energy: 1.2906847184662562
Energy: 1.3858354289402448
Energy: 2.1369572618614527
Energy: 1.3374474301963915
Energy: 1.3589151496299907
Energy: 1.2575732255363956
Energy: 1.3600006717264095
Energy: 1.426949539070053
Energy: 1.8624350126132494
Energy: 1.3414134383902543
Energy: 1.3597412302856289
Energy: 1.2595954736326613
Energy: 1.337144691466797
Energy: 1.383749256254471
Energy: 1.861496830561724
Energy: 1.3405863954711223
Energy: 1.3368367834080843
Energy: 1.4399485733827069
Energy: 1.3407808785571969
Energy: 1.3842019676651365
Energy: 1.8812382241799606
Energy: 1.3954623598716807
Energy: 1.4293121457111806
Energy: 1.4038527398717981
Energy: 1.3952265612912043
Energy: 1.3899746743248504
Energy: 1.6494519473365379
Energy: 1.3968227251283962
Energy: 1.389161968631243
Energy: 1.417129168876513
Energy: 1.3894787238893176
Energy: 1.421895685845938
Energy: 1.4199899647920566
Energy: 1.390560019948385
Energy: 1.3897372614873267
Energy: 1.4032828950558487
Energy: 1.4034560644209138
Energy: 1.4383385087716283
Energy: 1.6497949241919598
Energy: 1.4523348397997202
Energy: 1.3899587440458594
Energy: 1.387368106527164
Energy: 1.3897721017918248
Energy: 1.4284984037408899
Energy: 1.3956672815429925
Energy: 1.441502482759386
Energy: 1.3408235486724787
Energy: 1.4237998186127196
Energy: 1.340633633723995
Energy: 1.4132683008370392
Energy: 1.2236664272025888
Energy: 1.3408245651709902
Energy: 1.3414301884920432
Energy: 1.4343370486247855
Energy: 1.34108541152054
Energy: 1.263457796455297
Energy: 1.2491011655621844
Energy: 1.2437063118797873
Energy: 1.3370133254704288
Energy: 1.3898851582322043
Energy: 1.3366767099922667
Energy: 1.263512183757553
Energy: 1.2639775174715968
Energy: 1.1784915806815828
Energy: 1.2434773266712853
Energy: 1.3926015453901524
Energy: 1.1848229157924601
Energy: 1.238740488157149
Energy: 1.0558218133854682
Energy: 1.1774665740402168
Energy: 1.3404266540941363
Energy: 1.3404162814539962
Energy: 1.1757518260205178
Energy: 1.0575094107810377
Energy: 1.058022223507763
Energy: 1.1750166650943281
Energy: 1.2859112087124962
Energy: 1.4146200903164696
Energy: 1.2856620414052238
Energy: 1.1751737255975525
Energy: 1.0582599617038702
Energy: 1.17523132166973
Energy: 1.3376923126542308
Energy: 1.410768904993814
Energy: 1.286995751439775
Energy: 1.0575000808523523
Energy: 1.0554353375007577
Energy: 1.059123083802354
Energy: 1.285397837315653
Energy: 1.4117756273278665
Energy: 1.1784286740919026
Energy: 1.057597644591618
Energy: 1.2449001831971278
Energy: 1.2397598987251401
Energy: 1.3040123479887131
Energy: 1.3837297669468984
Energy: 1.1857811534354106
Energy: 1.238245612586343
Energy: 1.2477634579850516
Energy: 1.3606395116832124
Energy: 1.3846600168011807
Energy: 1.3900709241778442
Energy: 1.337187197365708
Energy: 1.2597842333128855
Energy: 1.2488300370126635
Energy: 1.363336127380198
Energy: 1.3407008439575505
Energy: 1.3837528732282125
Energy: 1.3412592619709482
Energy: 1.3607078268111907
Energy: 1.6688994127205292
Energy: 1.3393796018666833
Energy: 1.382876719140869
Energy: 1.3837557331246813
Energy: 1.3405017389942409
Energy: 1.42121004698051
Energy: 1.667762096551604
Energy: 1.355779425408015
Energy: 1.3901852646990311
Energy: 1.388661030791291
Energy: 1.3897916389414349
Energy: 1.4120366812516476
Energy: 1.6267394353619762
Energy: 1.3900208267812542
Energy: 1.4236316801079392
Energy: 1.4553944516300463
Energy: 1.3899551715458667
Energy: 1.4197979919831085
Energy: 1.6206691779649613
Energy: 1.3958464304632736
Energy: 1.4196759200008773
Energy: 1.4270984398846487
Energy: 1.3903214886402777
Energy: 1.421317009451161
Energy: 1.8689840155078956
Energy: 1.3908769048151786
Energy: 1.4475049223757486
Energy: 1.4112223633624246
Energy: 1.447725978748473
Energy: 1.389202376316167
Energy: 1.63253866387289
Energy: 1.3406573262600083
Energy: 1.4110939278315575
Energy: 1.4103484079692834
Energy: 1.4414780548731607
Energy: 1.3855249953376263
Energy: 1.6358728435489311
Energy: 1.340705884521069
Energy: 1.264041166056769
Energy: 1.300060309132667
Energy: 1.3402893433854854
Energy: 1.3411356707942221
Energy: 2.1182693382935556
Energy: 1.3369949555797203
Energy: 1.2642584252778464
Energy: 1.3393578471628336
Energy: 1.3365968928993963
Energy: 1.4464466991122786
Energy: 1.8822617552343948
Energy: 1.3393947709533705
Energy: 1.2458588589294948
Energy: 1.2632849446791188
Energy: 1.1849340246419273
Energy: 1.339663574565623
Energy: 2.1040932575056654
Energy: 1.1755200320789254
Energy: 1.1777863591391684
Energy: 1.0558995528243116
Energy: 1.1783839859343364
Energy: 1.340329025521513
Energy: 2.137927101878799
Energy: 1.1752422961135385
Energy: 1.1838971007645454
Energy: 1.0575801467945227
Energy: 1.185116913744904
Energy: 1.3853327847901489
Energy: 2.118157844003976
Energy: 1.285209894313395
Energy: 1.057341144100546
Energy: 1.056857172511942
Energy: 1.2854921441813936
Energy: 1.4007311867434273
Energy: 1.855986418875278
Energy: 1.1782041562585859
Energy: 1.0584731243113545
Energy: 1.0572848423734553
Energy: 1.1787836650480845
Energy: 1.285535045032681

minimum gb energy = 1.0554353375007577 eV
minimum distance =  2.15807417950433 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 2.053733560062333
Energy: 1.1175786729513628
Energy: 0.9310214919947338
Energy: 1.06646742680349
Energy: 1.0242799304403116
Energy: 1.1945972696621092
Energy: 2.520999993016082
Energy: 1.1401413564242031
Energy: 1.061898846406038
Energy: 1.0557723454539878
Energy: 1.062931761238595
Energy: 1.1812328119469802
Energy: 2.180302853324332
Energy: 1.186674368865816
Energy: 1.1477401504977809
Energy: 1.0688061581481887
Energy: 1.1381926179204358
Energy: 1.1971483792334987
Energy: 1.8082688837432326
Energy: 1.1437134259362465
Energy: 1.1522141756714808
Energy: 1.068392445154047
Energy: 1.1433392878014705
Energy: 1.1843770103319853
Energy: 1.80706951856488
Energy: 1.143786036213396
Energy: 1.181854757789074
Energy: 1.1812939464849332
Energy: 1.144423253005842
Energy: 1.179095550009397
Energy: 2.1734004134130265
Energy: 1.196268521893213
Energy: 1.2087990923182803
Energy: 1.2446676698616823
Energy: 1.1970607845138945
Energy: 1.1943102508528423
Energy: 1.991539807032983
Energy: 1.2329473423446375
Energy: 1.2003169969622587
Energy: 1.2093001024837489
Energy: 1.2005786989205187
Energy: 1.231501202622956
Energy: 1.6709117078020599
Energy: 1.1939691786689002
Energy: 1.1975928992644023
Energy: 1.183070397619714
Energy: 1.1979792348759069
Energy: 1.204507016047809
Energy: 1.9950762635233932
Energy: 1.2120994460283527
Energy: 1.2006791317686574
Energy: 1.1979731376665244
Energy: 1.2298695612748562
Energy: 1.2126048073715556
Energy: 1.827675343999166
Energy: 1.2111742927046294
Energy: 1.209048868959874
Energy: 1.21059100514745
Energy: 1.2098839261696819
Energy: 1.2108288674798358
Energy: 1.4842855616367057
Energy: 1.2094969857009221
Energy: 1.2112289058397003
Energy: 1.229824807731611
Energy: 1.2123199098631854
Energy: 1.2137925431631063
Energy: 1.4833137374968979
Energy: 1.2099968232650713
Energy: 1.2090460867631379
Energy: 1.2106518439612817
Energy: 1.2114251586420635
Energy: 1.2315291091706884
Energy: 1.6567334724926779
Energy: 1.201428569451358
Energy: 1.2523332034194523
Energy: 1.2113216313020498
Energy: 1.232878216022724
Energy: 1.1962680046049656
Energy: 1.3915505046068049
Energy: 1.208147777748813
Energy: 1.193661437325839
Energy: 1.2362504546909239
Energy: 1.194855334268273
Energy: 1.2193430955178095
Energy: 1.3339762687366805
Energy: 1.2102293460582627
Energy: 1.227113062817748
Energy: 1.2110065627910076
Energy: 1.2067941427413085
Energy: 1.2130322874887025
Energy: 1.3338431888876638
Energy: 1.2249483238416838
Energy: 1.196102296011594
Energy: 1.2088554812193462
Energy: 1.1963897794109009
Energy: 1.202686182839772
Energy: 1.3480373032504571
Energy: 1.1807522753693052
Energy: 1.1973456635551005
Energy: 1.1999486560863808
Energy: 1.1431394691593872
Energy: 1.1813490524407935
Energy: 1.154020708089715
Energy: 1.1445093821067194
Energy: 1.1449563361339896
Energy: 1.2114543593034197
Energy: 1.1446202910498493
Energy: 1.100394016236264
Energy: 1.1054194754602795
Energy: 1.0719783319027505
Energy: 1.1376324274672238
Energy: 1.1969865392866328
Energy: 1.1376678275115366
Energy: 1.0911249835215502
Energy: 1.0507770169108155
Energy: 1.0520339417129276
Energy: 1.0239017385863485
Energy: 1.1962353064391875
Energy: 1.0179962379664373
Energy: 1.0509804606410937
Energy: 0.9277719412941716
Energy: 1.013467943011776
Energy: 1.144125420798591
Energy: 1.1993063475454546
Energy: 1.0194161549076066
Energy: 0.9294611595916219
Energy: 0.9539936948851133
Energy: 1.0134790610220914
Energy: 1.1389883771910057
Energy: 1.1951749318872649
Energy: 1.0948056891258133
Energy: 0.9514441157223368
Energy: 0.9523911830868694
Energy: 1.0131669173778062
Energy: 1.1809752140141372
Energy: 1.21690572418981
Energy: 1.0962298830154509
Energy: 0.9305240667325935
Energy: 0.9289472578898393
Energy: 0.9294304927101978
Energy: 1.1837509999929319
Energy: 1.1844953666211435
Energy: 1.0181165338486746
Energy: 0.9315853574827416
Energy: 1.0545147309472902
Energy: 1.0519126610363003
Energy: 1.1422421264561813
Energy: 1.2098578428570272
Energy: 1.063679331742849
Energy: 1.0539832355299117
Energy: 1.106056610219198
Energy: 1.1493936356947492
Energy: 1.1788286718256205
Energy: 1.1944010532531895
Energy: 1.1389985739440183
Energy: 1.0922838130361672
Energy: 1.1308321304431925
Energy: 1.1462271440018665
Energy: 1.1438094559440166
Energy: 1.221734833476886
Energy: 1.1421112879444109
Energy: 1.0936855605045694
Energy: 1.3233858725499263
Energy: 1.1374851200520248
Energy: 1.1846263616859023
Energy: 1.2107147490874732
Energy: 1.1430288622919211
Energy: 1.180203970633182
Energy: 1.3868115431506398
Energy: 1.213023621189249
Energy: 1.1957047082592716
Energy: 1.2084477953473955
Energy: 1.196871646447757
Energy: 1.2248349464245896
Energy: 1.503164224918543
Energy: 1.2004191183053605
Energy: 1.229030293134777
Energy: 1.209945508287365
Energy: 1.2295568812540658
Energy: 1.2134568458048902
Energy: 1.3846180372991135
Energy: 1.1980384296059503
Energy: 1.2047608047507083
Energy: 1.249554491871457
Energy: 1.2111238628906638
Energy: 1.2093376181235942
Energy: 1.6533229409242622
Energy: 1.202161172753752
Energy: 1.234633157635615
Energy: 1.2109644874641816
Energy: 1.2306635597058622
Energy: 1.200321424128878
Energy: 1.6478969835888202
Energy: 1.2132585634658217
Energy: 1.209187771938884
Energy: 1.235576194829457
Energy: 1.2117359791653641
Energy: 1.2096730531739752
Energy: 1.648303769914532
Energy: 1.2094761061714727
Energy: 1.2112928727011048
Energy: 1.208206127238463
Energy: 1.2100308688661134
Energy: 1.2119910054312029
Energy: 2.00162796303946
Energy: 1.209044872749838
Energy: 1.2093332555171203
Energy: 1.2096965870752205
Energy: 1.211448190934651
Energy: 1.212721026147667
Energy: 1.9833736236825446
Energy: 1.2407419471900414
Energy: 1.203976673378961
Energy: 1.1958289060187453
Energy: 1.2023536581538827
Energy: 1.2128413702923593
Energy: 1.6523556203491059
Energy: 1.1939026440222984
Energy: 1.210257864422664
Energy: 1.2236138257608362
Energy: 1.2014692984843847
Energy: 1.2491870392746909
Energy: 1.99049874003799
Energy: 1.201260124434162
Energy: 1.2097031450258118
Energy: 1.3136814685788885
Energy: 1.2094395882170537
Energy: 1.225715137869895
Energy: 2.1696751628058903
Energy: 1.1958037253838616
Energy: 1.2232819396326438
Energy: 1.239781660685958
Energy: 1.199314958864805
Energy: 1.1957610328161652
Energy: 1.9810478464089762
Energy: 1.142778898006752
Energy: 1.2125993828869206
Energy: 1.1813798533676696
Energy: 1.1428067859737014
Energy: 1.19803952093305
Energy: 1.9810127700982278
Energy: 1.1430361847626314
Energy: 1.0853642119734876
Energy: 1.0702574474650386
Energy: 1.143948708831539
Energy: 1.1810138440472981
Energy: 2.3569742317863156
Energy: 1.138092741982433
Energy: 1.0943177262000103
Energy: 1.1034750511683027
Energy: 1.1379662534739023
Energy: 1.1789093830471429
Energy: 2.3285150099887786
Energy: 1.0427017143660728
Energy: 1.0521395590801446
Energy: 1.0531365505103594
Energy: 1.0763023993310252
Energy: 1.1805917665798202
Energy: 1.9781360473029825
Energy: 1.019110149593237
Energy: 0.9296502463954025
Energy: 0.9294750731850495
Energy: 1.0143748397610413
Energy: 1.1990037629106978
Energy: 2.1646903654976293
Energy: 1.096241871686697
Energy: 1.0137520774018138
Energy: 0.9535082942162101
Energy: 1.0140446653753936
Energy: 1.1801333420700109
Energy: 2.3603955635559757
Energy: 1.1375767312197131
Energy: 0.9303520642554864
Energy: 0.9522392622758316
Energy: 1.012851867114309
Energy: 1.1799985717253523
Energy: 2.14972233312189
Energy: 1.0175660812189615
Energy: 0.9290584299179604
Energy: 0.9291094420536206
Energy: 1.0174157485279485
Energy: 1.184176935584023

minimum gb energy = 0.9277719412941716 eV
minimum distance =  2.22767013351083 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.3409468914736168
Energy: 0.34175269046085627
Energy: 0.6234414183548619
Energy: 0.4279547015625188
Energy: 0.621890398427239
Energy: 0.34122486813758596
Energy: 0.27056033160810505
Energy: 0.42449972999956037
Energy: 0.41119814186840714
Energy: 0.4112917143857084
Energy: 0.4279464664917432
Energy: 0.4253197848860896
Energy: 1.6031275166007883
Energy: 0.4109891778298936
Energy: 0.4113425692359754
Energy: 0.42693052868514303
Energy: 0.41071760509030814
Energy: 0.4114679340742213
Energy: 0.2713197039168419
Energy: 0.41102626401090975
Energy: 0.41129340033999556
Energy: 0.41164591875703804
Energy: 0.41025989013367825
Energy: 0.27060916115714767
Energy: 0.2706277648034553
Energy: 0.4108206155311381
Energy: 0.4109193306985302
Energy: 0.4113695423935852
Energy: 0.40984417967329634
Energy: 0.27050518472604346
Energy: 1.6028944483005723
Energy: 0.41108169655634363
Energy: 0.4111281844458024
Energy: 0.4117086466007387
Energy: 0.41096314647999665
Energy: 0.41138513421028927
Energy: 0.27058724843988496
Energy: 0.42593844070891396
Energy: 0.41148657210388584
Energy: 0.427278320107593
Energy: 0.4113281806255143
Energy: 0.4258379185548255

minimum gb energy = 0.27050518472604346 eV
minimum distance =  2.43212502935484 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.1182359889878257
Energy: 1.1600736872315616
Energy: 0.9217603392158714
Energy: 1.1101842982998746
Energy: 0.9134886184539112
Energy: 1.1983531311902265
Energy: 2.1296634555938785
Energy: 1.0427078263515732
Energy: 0.9212059601760376
Energy: 0.9280523185343106
Energy: 0.9202443690176593
Energy: 1.1670156189601375
Energy: 2.261621906811838
Energy: 1.1429179053461576
Energy: 0.9247670918696506
Energy: 0.9301886326787432
Energy: 0.9255636338083432
Energy: 1.1441844309384557
Energy: 2.207615004131548
Energy: 1.038350600464878
Energy: 0.917965040518937
Energy: 0.9133121931197592
Energy: 0.918073452339942
Energy: 1.1878363482406549
Energy: 2.2077224664686694
Energy: 1.0378972310464079
Energy: 1.0384410809895126
Energy: 1.048861075216303
Energy: 1.0375809208038673
Energy: 1.187836640410598
Energy: 2.1300714531243634
Energy: 1.1407877334033765
Energy: 1.033712380392863
Energy: 1.0455596989093694
Energy: 1.033689477035052
Energy: 1.1778829902799934
Energy: 2.2583609343037323
Energy: 1.180782616304034
Energy: 1.0514646819629399
Energy: 1.0599582384267885
Energy: 1.0495012875639933
Energy: 1.2086912375375716
Energy: 1.9269941635568042
Energy: 1.1793086602850762
Energy: 1.1955254697837066
Energy: 1.3425474249025522
Energy: 1.1822582741506544
Energy: 1.2087961436785029
Energy: 2.0894756806517503
Energy: 1.1733989945316219
Energy: 1.1997210713041706
Energy: 1.177584261492259
Energy: 1.2092492561598667
Energy: 1.1734727708518422
Energy: 2.2269134346695902
Energy: 1.219469963378798
Energy: 1.1740986411419776
Energy: 1.2145817247563229
Energy: 1.1767819797561399
Energy: 1.237798124278454
Energy: 1.915216267869983
Energy: 1.2398304825803883
Energy: 1.2214585255394568
Energy: 1.3363603806827977
Energy: 1.2217487457642946
Energy: 1.2254015936094262
Energy: 1.9005084709556226
Energy: 1.2323564867216719
Energy: 1.2265866871466216
Energy: 1.2221707833023856
Energy: 1.2276571932485518
Energy: 1.2323956287823068
Energy: 1.9028663962506358
Energy: 1.215974479593486
Energy: 1.214506184296921
Energy: 1.198574307370641
Energy: 1.2193741516087093
Energy: 1.2257985785146577
Energy: 1.9048764186988267
Energy: 1.2246227907460676
Energy: 1.2364808350406393
Energy: 1.3366207184265126
Energy: 1.2505192357634023
Energy: 1.2216889567524283
Energy: 1.632325507960634
Energy: 1.2397829826079612
Energy: 1.2366232138037574
Energy: 1.3967828277600691
Energy: 1.2507358244919218
Energy: 1.2276534891855906
Energy: 1.6288840720327076
Energy: 1.2500758500488558
Energy: 1.2199169957746938
Energy: 1.2224567798671702
Energy: 1.2317338595528309
Energy: 1.236588320342273
Energy: 1.6180571900113552
Energy: 1.2396494825143074
Energy: 1.2224924504951813
Energy: 1.2323016871468475
Energy: 1.2270100108374633
Energy: 1.2646286335655998
Energy: 1.6369160254673032
Energy: 1.219446731478313
Energy: 1.2167269236548675
Energy: 1.2359616757575915
Energy: 1.2151156327416675
Energy: 1.2155107955602416
Energy: 1.6163494645318874
Energy: 1.223612695244686
Energy: 1.2290290665861774
Energy: 1.2648235033379385
Energy: 1.2316806120811576
Energy: 1.220783947082494
Energy: 1.3256464030687625
Energy: 1.217202300548762
Energy: 1.2207504351769483
Energy: 1.237242610245134
Energy: 1.2062374274843108
Energy: 1.2270152557991292
Energy: 1.338047623759661
Energy: 1.1756740320575014
Energy: 1.2291530684180458
Energy: 1.2458947209264195
Energy: 1.1720610740030664
Energy: 1.1775754599834714
Energy: 1.3393120727968355
Energy: 1.1820796800551698
Energy: 1.1970029569002523
Energy: 1.387772666903975
Energy: 1.185031231980304
Energy: 1.1795827237757799
Energy: 1.0378471916961896
Energy: 1.0614772935968713
Energy: 1.20105030217757
Energy: 1.2188151407932
Energy: 1.1713284028501925
Energy: 1.0625158722768115
Energy: 1.0448838514651742
Energy: 1.0516229228867364
Energy: 1.21156018567744
Energy: 1.2247983732425722
Energy: 1.1782137375658812
Energy: 1.051777104473831
Energy: 1.0635060916672823
Energy: 1.0348365957259484
Energy: 1.142608322760651
Energy: 1.2296527844207654
Energy: 1.035281987945163
Energy: 1.0382291129600043
Energy: 1.0560380576885602
Energy: 1.041497048871148
Energy: 1.147254393046102
Energy: 1.2236284981866492
Energy: 1.038166989043326
Energy: 1.0379864023868197
Energy: 0.9265737697287255
Energy: 0.9220942528525533
Energy: 1.147655737307822
Energy: 1.2149866493447707
Energy: 1.0377353622631977
Energy: 0.9190699463560492
Energy: 0.9284708522266106
Energy: 0.9245544381529212
Energy: 1.139507909564741
Energy: 1.28015097799006
Energy: 1.0495349202820259
Energy: 0.9278243664645419
Energy: 0.9131765682490539
Energy: 0.9196461784530534
Energy: 1.0493766913669311
Energy: 1.2239840096492522
Energy: 1.0354736143394057
Energy: 0.9202921455322024
Energy: 1.0934972654386057
Energy: 1.0386528901458616
Energy: 1.1786349376838032
Energy: 1.2181572345237974
Energy: 1.0393210642968076
Energy: 1.0439185502321842
Energy: 1.0600774394203092
Energy: 1.062936402083437
Energy: 1.1657176028145357
Energy: 1.2328995728074887
Energy: 1.0348512120369728
Energy: 1.0395502457852366
Energy: 1.055895736061091
Energy: 1.0332016008907654
Energy: 1.1899321539344048
Energy: 1.232915819781857
Energy: 1.0375344608069657
Energy: 1.0388851743719396
Energy: 1.0473513964523269
Energy: 1.0694209317317867
Energy: 1.177929918698866
Energy: 1.22701920642286
Energy: 1.1701502773483115
Energy: 1.0576208059847028
Energy: 1.3316397045383743
Energy: 1.1814219174892742
Energy: 1.2109615377331815
Energy: 1.2674078639737976
Energy: 1.216455519136057
Energy: 1.1745252734582563
Energy: 1.3434512195534691
Energy: 1.17679798899131
Energy: 1.1769501498252837
Energy: 1.2696802492713857
Energy: 1.1831946454308577
Energy: 1.1723445717848973
Energy: 1.3273947139327786
Energy: 1.211785631969196
Energy: 1.2240793742113854
Energy: 1.2681958204849142
Energy: 1.2176196878190406
Energy: 1.2260404715072137
Energy: 1.6204094780990597
Energy: 1.2351838718206558
Energy: 1.2089923719889675
Energy: 1.2331698924397994
Energy: 1.2240775387099274
Energy: 1.240297781929411
Energy: 1.491132307176613
Energy: 1.2390749888642039
Energy: 1.2164254471861142
Energy: 1.5445041140631723
Energy: 1.215156080201511
Energy: 1.2186048550876003
Energy: 1.6235750992367333
Energy: 1.2167022905249407
Energy: 1.231477132827316
Energy: 1.2310997299209807
Energy: 1.2544359839670434
Energy: 1.2100887585783775
Energy: 1.6240024691961512
Energy: 1.2354237651516697
Energy: 1.2094691617292461
Energy: 1.2124317460907672
Energy: 1.2190405544869956
Energy: 1.2678183973668766
Energy: 1.7689271294526887
Energy: 1.2376188014441478
Energy: 1.2366201332671447
Energy: 1.2692292627348793
Energy: 1.2417672593003575
Energy: 1.232871128244629
Energy: 1.7747545721535551
Energy: 1.2252838748335497
Energy: 1.251763682960882
Energy: 1.3912435911548555
Energy: 1.2308269380962824
Energy: 1.233035337438864
Energy: 1.9278270568633527
Energy: 1.2449742747039747
Energy: 1.2142189641193981
Energy: 1.211522788439946
Energy: 1.2161943230232732
Energy: 1.2335434013296516
Energy: 2.0467690100092977
Energy: 1.231183427266888
Energy: 1.221075130807265
Energy: 1.2124768921965892
Energy: 1.231699210172588
Energy: 1.2355931653572714
Energy: 1.8312818220859264
Energy: 1.2014881461135818
Energy: 1.2175829928499131
Energy: 1.2428556423424446
Energy: 1.2175548570620949
Energy: 1.2075384774375013
Energy: 2.2184215071431357
Energy: 1.2238673691371271
Energy: 1.2091473380014766
Energy: 1.2097457282957307
Energy: 1.2099543376168673
Energy: 1.2241625148963975
Energy: 2.0962298523170917
Energy: 1.177412007840961
Energy: 1.1710649011864647
Energy: 1.1778693833456662
Energy: 1.1727976712535635
Energy: 1.2434853067236138
Energy: 2.059392266379775
Energy: 1.1880572022083633
Energy: 1.186011066642495
Energy: 1.325841541881138
Energy: 1.1811601501401146
Energy: 1.2159064274586022
Energy: 2.0596034820225477
Energy: 1.177535469037559
Energy: 1.0496149525806455
Energy: 1.0602235920746852
Energy: 1.0655249022594941
Energy: 1.2159072404357572
Energy: 2.0945629899870286
Energy: 1.1390164612911846
Energy: 1.0335557370544994
Energy: 1.0742499680089859
Energy: 1.034962157849271
Energy: 1.1868030426856278
Energy: 2.12923836543923
Energy: 1.0448080682179912
Energy: 1.038734331748993
Energy: 1.0739887625418252
Energy: 1.0423787550160255
Energy: 1.1770132964817925

minimum gb energy = 0.9131765682490539 eV
minimum distance =  2.19092108664076 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.3830143933354244
Energy: 1.2938311801539417
Energy: 1.0429623130693673
Energy: 1.0375764951166047
Energy: 1.0439567067471935
Energy: 1.333301976491233
Energy: 1.971410718691851
Energy: 1.2167096381536568
Energy: 1.041525932183467
Energy: 1.051498296446113
Energy: 1.0404534128167793
Energy: 1.330015116995355
Energy: 1.846054298526671
Energy: 1.2950375751502639
Energy: 1.0463468311639987
Energy: 1.0483336773434908
Energy: 1.046907110357953
Energy: 1.3732590237478743
Energy: 1.9320500511947647
Energy: 1.1280842886729356
Energy: 1.0414134843700598
Energy: 1.0381810392145434
Energy: 1.042219069165121
Energy: 1.374345772051709
Energy: 1.9298585134772577
Energy: 1.198000353282241
Energy: 1.2075734518706511
Energy: 1.2451493822272204
Energy: 1.203934253331734
Energy: 1.3768819510772305
Energy: 1.8466043699545442
Energy: 1.3559337505114846
Energy: 1.201073178517364
Energy: 1.236297542129733
Energy: 1.1980224555305201
Energy: 1.4303513884093473
Energy: 2.0446842078256724
Energy: 1.4068983836527371
Energy: 1.2072248506817684
Energy: 1.2329765519742306
Energy: 1.2168974934824364
Energy: 1.4064456249462307
Energy: 2.0902437992338716
Energy: 1.3810836852361414
Energy: 1.4273887962451643
Energy: 1.2251961727515206
Energy: 1.4202389306320502
Energy: 1.398091193783427
Energy: 1.8347596242552977
Energy: 1.4220852237167558
Energy: 1.3975242783628223
Energy: 1.3660153270725623
Energy: 1.426741946030492
Energy: 1.4348845574599605
Energy: 1.8302369378305794
Energy: 1.4137606404860223
Energy: 1.3901495702696007
Energy: 1.4611587540276356
Energy: 1.4034140736840996
Energy: 1.4211677763994295
Energy: 1.721905226387596
Energy: 1.3916011610022827
Energy: 1.4232136273939844
Energy: 1.5200193566567064
Energy: 1.415816398285918
Energy: 1.4007435417474803
Energy: 2.000919394268466
Energy: 1.422831792580881
Energy: 1.4192709130464676
Energy: 1.4028944822325409
Energy: 1.4386078740709576
Energy: 1.4254327455479734
Energy: 1.6333886939496967
Energy: 1.3562061596402404
Energy: 1.3969677698925276
Energy: 1.4077210787984173
Energy: 1.4103022550333328
Energy: 1.375705593828913
Energy: 1.6499300612633252
Energy: 1.333462993066981
Energy: 1.4241433489210154
Energy: 1.5044678958806494
Energy: 1.3660586654891265
Energy: 1.3285230481877701
Energy: 1.6369716835442767
Energy: 1.3470538909703236
Energy: 1.4346317898952705
Energy: 1.7431202980346825
Energy: 1.3657590510979838
Energy: 1.3336813624484154
Energy: 1.4294273973050697
Energy: 1.3274354413133298
Energy: 1.3193486764137337
Energy: 1.4034201222872729
Energy: 1.3341538687083736
Energy: 1.3262843425133903
Energy: 1.3233128573013708
Energy: 1.302466354771423
Energy: 1.3318526266005508
Energy: 1.4152245873325426
Energy: 1.3332917278279681
Energy: 1.303305697689802
Energy: 1.3225345357138152
Energy: 1.2946684934795905
Energy: 1.3678721029160896
Energy: 1.4049275010020545
Energy: 1.2951626036091508
Energy: 1.275476699947808
Energy: 1.3155712764307825
Energy: 1.2693554328600614
Energy: 1.3398672264415334
Energy: 1.380567874016086
Energy: 1.347222843385586
Energy: 1.2685330665416592
Energy: 1.1237702184085119
Energy: 1.1090627137912306
Energy: 1.3467325897442026
Energy: 1.3983917146827005
Energy: 1.3466237426952412
Energy: 1.105657956614318
Energy: 1.136615485116705
Energy: 1.1186512069146162
Energy: 1.3408939995860205
Energy: 1.398970475523975
Energy: 1.1197288334112228
Energy: 1.1202795724607981
Energy: 1.1365657888254395
Energy: 1.1338403503542471
Energy: 1.1649614237532917
Energy: 1.4375583928216111
Energy: 1.1618224378153017
Energy: 1.1339784259737742
Energy: 1.1421762528605208
Energy: 1.1584731740480543
Energy: 1.3064408534131355
Energy: 1.4004812977198347
Energy: 1.1588420144827787
Energy: 1.157975282769849
Energy: 1.249701625901879
Energy: 1.1517326673182289
Energy: 1.1704545880214143
Energy: 1.5500376870175685
Energy: 1.1616588627160347
Energy: 1.1481097728449607
Energy: 1.2447791839014486
Energy: 1.1477294273965017
Energy: 1.41765450831973
Energy: 1.505440866846114
Energy: 1.1517302576290644
Energy: 1.1439215421982696
Energy: 1.2320721964899701
Energy: 1.164683758276425
Energy: 1.3831167960958524
Energy: 1.3920964129483786
Energy: 1.3825259965280803
Energy: 1.178075153971546
Energy: 1.6166264712618263
Energy: 1.3873417550394291
Energy: 1.3897672440696287
Energy: 1.3861935393930687
Energy: 1.390013912754527
Energy: 1.3914842237319425
Energy: 1.51931221085881
Energy: 1.3943242737250732
Energy: 1.4023193743658848
Energy: 1.5613645297707262
Energy: 1.4030722069988057
Energy: 1.3810585764324497
Energy: 1.6181208462007952
Energy: 1.4024822150633072
Energy: 1.4003100381456022
Energy: 1.451119290583631
Energy: 1.4170503313726877
Energy: 1.3960332342956538
Energy: 1.6244785422572054
Energy: 1.4530173583330304
Energy: 1.4183612463317314
Energy: 1.39416518769143
Energy: 1.4188922652230358
Energy: 1.432927914045208
Energy: 1.931860817841903
Energy: 1.426179758238589
Energy: 1.4372295302750473
Energy: 1.7220925049690003
Energy: 1.4465928551867095
Energy: 1.4034444928810716
Energy: 2.039191531200592
Energy: 1.4072792651082229
Energy: 1.4105207187864925
Energy: 1.5868701658181743
Energy: 1.4337740406519186
Energy: 1.4162121439393291
Energy: 1.9517014403032087
Energy: 1.3955112855256413
Energy: 1.3855568833343044
Energy: 1.411613717481148
Energy: 1.3865951061285136
Energy: 1.4141780338061607
Energy: 2.1058658154686745
Energy: 1.4141454857402576
Energy: 1.3960558405552292
Energy: 1.385953456825499
Energy: 1.4006234900106742
Energy: 1.3989997114993602
Energy: 1.9354240502801618
Energy: 1.3095994030805111
Energy: 1.222362717947389
Energy: 1.2295556079228855
Energy: 1.3082827706173872
Energy: 1.392861680638166
Energy: 1.8453180341185587
Energy: 1.3381243872577309
Energy: 1.2197810394076625
Energy: 1.2489052796160407
Energy: 1.2230974984397758
Energy: 1.416112219588083
Energy: 1.9481234257682731
Energy: 1.1997201017016097
Energy: 1.2065782020844924
Energy: 1.223973338422881
Energy: 1.2357567039981991
Energy: 1.3870049399743452
Energy: 2.2149749889128745
Energy: 1.2071288933406434
Energy: 1.2130660006293663
Energy: 1.0461800052352725
Energy: 1.2073501267411022
Energy: 1.388900809023192

minimum gb energy = 1.0375764951166047 eV
minimum distance =  2.25274593799198 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.1854364010679532
Energy: 1.1271864037149042
Energy: 1.107977538759456
Energy: 1.1077798270314123
Energy: 1.1098326262268012
Energy: 1.5374056705263635
Energy: 1.606202637101877
Energy: 1.3315109700495078
Energy: 1.1125668946412706
Energy: 1.113546690128691
Energy: 1.1124246368771322
Energy: 1.513297135264025
Energy: 1.6386680446100392
Energy: 1.3442361858976757
Energy: 1.116493577769915
Energy: 1.116602102910531
Energy: 1.1127716332787103
Energy: 1.5693855554724438
Energy: 2.0879954793351154
Energy: 1.3242865601643785
Energy: 1.1050277153264165
Energy: 1.1007830857707457
Energy: 1.104575868505863
Energy: 1.5141741990043025
Energy: 1.5875754173219159
Energy: 1.3237451724107059
Energy: 1.3244732184466952
Energy: 1.3720797291411326
Energy: 1.3099363085119042
Energy: 1.542060638565552
Energy: 1.6392080786257277
Energy: 1.3255251187312722
Energy: 1.3263441575183588
Energy: 1.340918797584455
Energy: 1.3259706745991668
Energy: 1.5704413961094659
Energy: 1.6048007852816364
Energy: 1.5557845424234764
Energy: 1.3114757677985085
Energy: 1.3499247795464095
Energy: 1.3247654187830622
Energy: 1.5325678436518597
Energy: 1.8578308340321346
Energy: 1.5281981957418764
Energy: 1.5449046457787408
Energy: 1.350000551495272
Energy: 1.544220111668631
Energy: 1.5152693118035432
Energy: 1.8189751939072334
Energy: 1.5482770911627417
Energy: 1.53872511836704
Energy: 1.4934077287250522
Energy: 1.5834414803577672
Energy: 1.526792032342481
Energy: 1.5915287081754883
Energy: 1.5279637371882226
Energy: 1.5268555729640836
Energy: 1.592410706298645
Energy: 1.527540359166798
Energy: 1.5302502650763197
Energy: 1.8188688970202282
Energy: 1.5147777587530427
Energy: 1.548995618311159
Energy: 1.5503256306063715
Energy: 1.5271705497904533
Energy: 1.5387349960108672
Energy: 1.8294658430874875
Energy: 1.5497153765068836
Energy: 1.5397180350977968
Energy: 1.5825240895313364
Energy: 1.5409988226562128
Energy: 1.520065349477623
Energy: 1.3422128696511237
Energy: 1.3439068018627267
Energy: 1.5149652704822731
Energy: 1.5425455616502581
Energy: 1.5282240686016952
Energy: 1.3431770271798642
Energy: 1.3397383159320784
Energy: 1.3249898682911105
Energy: 1.551820909225377
Energy: 1.7657010335652816
Energy: 1.325836908416311
Energy: 1.3084682410104285
Energy: 1.3628543496900247
Energy: 1.345857995044042
Energy: 1.510610977487997
Energy: 1.573884702799498
Energy: 1.3509792051125507
Energy: 1.3166599903670473
Energy: 1.106422801074026
Energy: 1.3170457002918743
Energy: 1.4803598447494126
Energy: 1.5153247900688909
Energy: 1.3063348759338265
Energy: 1.316611830524863
Energy: 1.112463613936869
Energy: 1.1124214849499972
Energy: 1.3442835001537048
Energy: 1.564020280374387
Energy: 1.106789289706528
Energy: 1.112364549346021
Energy: 1.115430257902373
Energy: 1.1126753097020183
Energy: 1.5083120069029299
Energy: 1.530559419247662
Energy: 1.1124864376069858
Energy: 1.1128807309441577
Energy: 1.1014817796909175
Energy: 1.1046800211646461
Energy: 1.3237405723340474
Energy: 1.5125451329052908
Energy: 1.3245841238582303
Energy: 1.1062567340581269
Energy: 1.3507559525925457
Energy: 1.310651529725206
Energy: 1.323754279756928
Energy: 1.513082844922724
Energy: 1.3231748107214214
Energy: 1.3175620043696878
Energy: 1.3625882873691135
Energy: 1.3256988745686669
Energy: 1.5087056409433746
Energy: 1.530310170749696
Energy: 1.3263512167128724
Energy: 1.3286081288330691
Energy: 1.3451959836681913
Energy: 1.324486776909769
Energy: 1.5557981074217373
Energy: 1.624750909786869
Energy: 1.3453723986290294
Energy: 1.3118332785794085
Energy: 1.3471014010366151
Energy: 1.3440033898226393
Energy: 1.3663111507902377
Energy: 1.524788593516454
Energy: 1.3441491877876501
Energy: 1.3441030133313079
Energy: 1.595393435644372
Energy: 1.5670874014651748
Energy: 1.5482245106394432
Energy: 1.5633806050305448
Energy: 1.578444122374747
Energy: 1.5268056840456838
Energy: 1.604500874109273
Energy: 1.527135510809048
Energy: 1.5665809604536314
Energy: 1.779072031247898
Energy: 1.5267517316181718
Energy: 1.526620006347294
Energy: 1.597647989799872
Energy: 1.5268050600255383
Energy: 1.5142060796289065
Energy: 1.5270299873147768
Energy: 1.5287051909267184
Energy: 1.5643427651791162
Energy: 1.8190991140672375
Energy: 1.5516937559539046
Energy: 1.5214866934453135
Energy: 1.5270984853299827
Energy: 1.5589207037616502
Energy: 1.527672733735317
Energy: 2.0481794246436817
Energy: 1.5282889225429157
Energy: 1.3453918394517839
Energy: 1.3109899786111727
Energy: 1.345816479594781
Energy: 1.5151713854382027
Energy: 1.6031370778319276
Energy: 1.528756868374606
Energy: 1.3255002461792895
Energy: 1.3112516933883438
Energy: 1.3248244511636362
Energy: 1.5520781131425185
Energy: 1.6109031121812187
Energy: 1.329121610534412
Energy: 1.3304228248577585
Energy: 1.342510809928058
Energy: 1.3463916609296986
Energy: 1.5111666873121234
Energy: 2.116294347331387
Energy: 1.3065330213562605
Energy: 1.3170301536835824
Energy: 1.3441047154751073
Energy: 1.3154918484008626
Energy: 1.5054976273648235

minimum gb energy = 1.1007830857707457 eV
minimum distance =  2.20391818074118 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.0991104669540315
Energy: 1.224079302843856
Energy: 1.2422788458709697
Energy: 1.226547518058814
Energy: 1.2304390815833126
Energy: 1.2224107658316836
Energy: 1.7122829313841263
Energy: 1.491072651791648
Energy: 1.2259249984745997
Energy: 1.227043402932191
Energy: 1.2256006619645177
Energy: 1.6849608808850842
Energy: 1.9156143548266586
Energy: 1.3717020477852728
Energy: 1.224626457623283
Energy: 1.2270779744337286
Energy: 1.2246507089606486
Energy: 1.7348063817422443
Energy: 1.7094955561887586
Energy: 1.497122712545253
Energy: 1.2222739141928238
Energy: 1.225398594546542
Energy: 1.219690508805067
Energy: 1.7220647374964961
Energy: 1.7092371254539227
Energy: 1.5039417775773718
Energy: 1.4826325159170277
Energy: 1.190563470079109
Energy: 1.4899923419010817
Energy: 1.707781537608014
Energy: 1.9155781165686276
Energy: 1.4780330271906716
Energy: 1.4942463600347873
Energy: 1.4803071362646987
Energy: 1.4969190898381002
Energy: 1.6482364690294506
Energy: 1.5811794052828536
Energy: 1.6323758697230553
Energy: 1.4898251967339275
Energy: 1.2042248005572436
Energy: 1.4543587072207635
Energy: 1.6299704486787598
Energy: 1.7194448122450052
Energy: 1.6629002824475903
Energy: 1.676317614882823
Energy: 1.2027180332360574
Energy: 1.6828847088028027
Energy: 1.6309222625324
Energy: 1.5231946258612736
Energy: 1.6557948091360883
Energy: 1.7620422153634248
Energy: 1.7279535961783175
Energy: 1.673802876565147
Energy: 1.655117359448902
Energy: 1.7155201457891789
Energy: 1.6050205161227844
Energy: 1.652427495814615
Energy: 1.7979775314563764
Energy: 1.6380974448389158
Energy: 1.6230271410733499
Energy: 1.7150210792886766
Energy: 1.6035960243162883
Energy: 1.6891763645093996
Energy: 1.8468146231872655
Energy: 1.6011180392030768
Energy: 1.6071339606129
Energy: 1.6975898584461158
Energy: 1.5978256019504493
Energy: 1.6788321039092144
Energy: 1.7074645918136608
Energy: 1.7357090395901995
Energy: 1.5830374158175737
Energy: 1.3684348597037532
Energy: 1.3295390898700392
Energy: 1.6792414885518527
Energy: 1.6792142971010853
Energy: 1.3307755792125708
Energy: 1.3291838697850171
Energy: 1.3721886793696614
Energy: 1.3439511743347652
Energy: 1.6939307290747923
Energy: 1.7986995171248064
Energy: 1.3428280768251513
Energy: 1.336247510566957
Energy: 1.376998147156499
Energy: 1.3613848734316436
Energy: 1.4147346943171204
Energy: 1.7658595273074627
Energy: 1.4140182609028782
Energy: 1.3510601209513913
Energy: 1.3842052718814175
Energy: 1.4020682873466437
Energy: 1.773522492489411
Energy: 1.7171500724137385
Energy: 1.3967394179411676
Energy: 1.3693088063343395
Energy: 1.5611400425425788
Energy: 1.3890901461162075
Energy: 1.4274641078324752
Energy: 1.7804687965583366
Energy: 1.403332190853659
Energy: 1.3941828387320783
Energy: 1.5636187632242688
Energy: 1.3887552897554734
Energy: 1.728046395498931
Energy: 1.4796406099000714
Energy: 1.4170769090944353
Energy: 1.390117140666934
Energy: 1.5916753456433506
Energy: 1.4003734122432052
Energy: 1.7305503214850722
Energy: 1.7253401421005998
Energy: 1.7670678298787847
Energy: 1.3988779072753172
Energy: 1.9164443059713443
Energy: 1.771696154559583
Energy: 1.7408800369223298
Energy: 1.723069190799759
Energy: 1.7793574066347078
Energy: 1.7613220157058977
Energy: 2.0204147342358083
Energy: 1.735098369387846
Energy: 1.5057412087764712
Energy: 1.555254256835587
Energy: 1.6345459492273697
Energy: 1.7629230665441644
Energy: 1.9164343858738
Energy: 1.622607700566464
Energy: 1.4919394481263482
Energy: 1.5577526390018783
Energy: 1.4919130091115456
Energy: 1.7474817440654131
Energy: 1.9323060012579971
Energy: 1.4912979820966272
Energy: 1.5276510844613733
Energy: 1.5362481505575274
Energy: 1.5268472683921648
Energy: 1.7709819653486512
Energy: 1.721701478747746
Energy: 1.4925641928299707
Energy: 1.4954072459308123
Energy: 1.564731054804429
Energy: 1.5053165807043147
Energy: 1.600110991433044

minimum gb energy = 1.190563470079109 eV
minimum distance =  2.19937420567471 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.5703659415807105
Energy: 2.004109751639255
Energy: 1.3435725080850494
Energy: 1.3002830300436146
Energy: 1.6655679911197803
Energy: 2.0042856646736826
Energy: 1.3378873360822865
Energy: 1.672401670497836
Energy: 1.2792536789334703
Energy: 1.2797445213062018
Energy: 1.279292903169368
Energy: 1.6616918595027488
Energy: 1.3425162776809505
Energy: 1.6636241724642435
Energy: 1.2806069587249358
Energy: 1.2797946810286662
Energy: 1.2798980948710341
Energy: 1.9738596509351893
Energy: 1.816642798949696
Energy: 1.6430990241178496
Energy: 1.2994455427634357
Energy: 1.2990447767052424
Energy: 1.2989402322140993
Energy: 1.6428139164462285
Energy: 1.8180361962961114
Energy: 1.699904103300526
Energy: 1.6431015489796323
Energy: 1.3225726407732705
Energy: 1.7001714280053843
Energy: 1.672340182158048
Energy: 1.3495322163621732
Energy: 1.408222656032474
Energy: 1.6843475382362656
Energy: 1.2731365455917236
Energy: 1.656853197860005
Energy: 1.6770947234211695
Energy: 1.3230778360257063
Energy: 1.6766192904072352
Energy: 1.67761352116316
Energy: 1.3426966781751377
Energy: 1.40853570310222
Energy: 1.6784810268433357
Energy: 1.32500409412793
Energy: 1.6688839239799849
Energy: 1.6634437740966204
Energy: 1.3416544321688262
Energy: 1.6723688310542981
Energy: 1.6688913875099123
Energy: 1.3356217463009983
Energy: 1.6771430910932725
Energy: 2.004163229590304
Energy: 1.983787835877742
Energy: 1.7019479350852948
Energy: 1.677791518099276
Energy: 1.299763324556776
Energy: 1.299830460058197
Energy: 1.6726780571505053
Energy: 1.273181857788135
Energy: 1.2996117433232788
Energy: 1.2992691547184905
Energy: 1.279091519746645
Energy: 1.2798641294954394
Energy: 2.0622852889392966
Energy: 1.3426429652560865
Energy: 1.28114872056649
Energy: 1.2795878257556592
Energy: 1.3009938149298148
Energy: 1.2994918447457848
Energy: 1.7001518258232091
Energy: 1.8352157623110064
Energy: 1.6421941702333698
Energy: 1.2996434963393364
Energy: 1.3466854831352901
Energy: 1.6561707760625102
Energy: 1.6434369966219309
Energy: 1.654344329239564
Energy: 1.6422806686672673
Energy: 1.3373863046337409
Energy: 1.2727410419901513
Energy: 1.669430109028885
Energy: 1.4081720168884346
Energy: 1.3597198458811497
Energy: 1.6569899486416562
Energy: 1.2735583686004035
Energy: 1.32088918010815
Energy: 1.7000270455987347
Energy: 1.677551207645382
Energy: 1.3361010185172484
Energy: 1.4081133342896268
Energy: 1.6563419773255617
Energy: 1.3425924984956135
Energy: 1.4085443210259945
Energy: 1.6696549501633096
Energy: 1.6690111573926822
Energy: 1.668504893597155
Energy: 1.3426636131769825
Energy: 1.272953780491385
Energy: 1.6728153085875184
Energy: 1.6778415368480277
Energy: 1.3297925796067251
Energy: 1.6768828465923744
Energy: 1.9839326120231473

minimum gb energy = 1.2727410419901513 eV
minimum distance =  2.22832869963419 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.8636031866757439
Energy: 1.7840766489122553
Energy: 1.3768019947327212
Energy: 1.3802781921268155
Energy: 1.3806395047330375
Energy: 2.1388353919081107
Energy: 1.494694501817009
Energy: 1.362157837445474
Energy: 1.3630176587295377
Energy: 1.3636638380106572
Energy: 1.3633584199694369
Energy: 1.573296421825892
Energy: 1.9302855825928555
Energy: 1.5976282905036177
Energy: 1.359481964817486
Energy: 1.3640737996792294
Energy: 1.359769779837917
Energy: 2.0377217185743888
Energy: 2.0636706240705602
Energy: 1.871772229916927
Energy: 1.3877044231650242
Energy: 1.3867545160817767
Energy: 1.3772157179427738
Energy: 1.8908817083017013
Energy: 2.0821426962735297
Energy: 2.024367404085899
Energy: 2.0039480208086644
Energy: 1.479833964187738
Energy: 2.018551651631245
Energy: 2.010259100298272
Energy: 1.3930207869077662
Energy: 1.3790820945744031
Energy: 1.9718258146380978
Energy: 1.69511780581582
Energy: 2.0200739761718802
Energy: 1.3880230700438263
Energy: 1.3772312143304382
Energy: 1.360003735721441
Energy: 2.0367747119173836
Energy: 1.8812552476244053
Energy: 1.3590171164758837
Energy: 1.3597171977588185
Energy: 1.3630378350053896
Energy: 1.3622264420048757
Energy: 1.582270741370889
Energy: 1.3924468863533002
Energy: 1.3672154750456265
Energy: 1.3620014000589404
Energy: 1.4020177394922968
Energy: 1.3779460747676209
Energy: 1.539452473609463
Energy: 1.9375764107665805
Energy: 1.3765513967520662
Energy: 1.377259618921739
Energy: 1.6256791883200428
Energy: 1.3626711968211689
Energy: 1.5951648874260527
Energy: 1.6355306874080557
Energy: 1.5754562883945207
Energy: 1.3625348552821561
Energy: 1.6314208370117014
Energy: 1.5745142813151884
Energy: 1.9026697652726876
Energy: 1.885436477172964
Energy: 1.5743769086030073
Energy: 1.576562050458665
Energy: 1.6478968753373986
Energy: 1.5898014387827257
Energy: 1.884820158107424
Energy: 1.6988503735044702
Energy: 1.720842509992591
Energy: 1.5990456543559828
Energy: 1.520413089260119
Energy: 1.8651673903210575
Energy: 1.8592950634840968
Energy: 1.7599504831146586
Energy: 1.868402373194832
Energy: 1.8657627608583989
Energy: 2.2806054886648357
Energy: 1.757556584111242
Energy: 1.588061428795374
Energy: 1.3744857478443127
Energy: 1.7349968336903094
Energy: 2.1399411148864815
Energy: 1.8606554461006424
Energy: 1.7529727014772547
Energy: 1.331677213851561
Energy: 1.3387109709850287
Energy: 1.3270921350875529
Energy: 1.8821554067089616
Energy: 1.571559233094855
Energy: 1.32783805781207
Energy: 1.3238915252025787
Energy: 1.329539480749789
Energy: 1.3236702238657454
Energy: 1.5900660775177102
Energy: 2.0701503845474476
Energy: 1.729911119022268
Energy: 1.3357290947297944
Energy: 1.3441755422485415
Energy: 1.3336380279362534
Energy: 1.9201703992029768
Energy: 2.0709017035412316
Energy: 1.8827552841763713
Energy: 1.5260144984472037
Energy: 1.6416363214989835
Energy: 1.526496708317025
Energy: 2.0575707387879762
Energy: 1.654855398193969
Energy: 1.6382407413456743
Energy: 1.8548725648386954
Energy: 1.7356738256903548
Energy: 1.8582475935400204
Energy: 1.5848023443428998
Energy: 1.6367284722189006
Energy: 1.364032427601076
Energy: 1.8796268447445696
Energy: 1.63667749729429
Energy: 1.8151351997481144
Energy: 1.3779112393835589
Energy: 1.629209788333027
Energy: 1.5733089366590889
Energy: 1.5751261901947942
Energy: 1.8735596166336834
Energy: 1.5732882271157091
Energy: 1.57370193688549
Energy: 1.5849898462896883
Energy: 1.587903308903147
Energy: 1.7478589353083624
Energy: 1.3272070102586409
Energy: 1.571586405205719
Energy: 1.5985694237662702
Energy: 1.3807494805149805
Energy: 1.3630096880298408
Energy: 1.5744394106584392
Energy: 1.850517066639163
Energy: 1.3637156325419348
Energy: 1.3635918918734498
Energy: 1.365231033707069
Energy: 1.360344844712607
Energy: 1.600886357596224
Energy: 1.7149333397831765
Energy: 1.359962127387366
Energy: 1.361251014260418
Energy: 1.3776092914546052
Energy: 1.378456350385535
Energy: 2.0229617061171954
Energy: 2.0273735910097614
Energy: 1.8732158590024441
Energy: 1.3782204987724838
Energy: 1.4025137798706195
Energy: 2.048873357680917
Energy: 2.004710309509552
Energy: 1.753145002109746
Energy: 2.0148200018637965
Energy: 1.413404396356699
Energy: 2.28678312478825
Energy: 2.045523698464095
Energy: 2.0430821795651766
Energy: 1.3871724397618925
Energy: 2.045997292873264
Energy: 1.9664837803820938
Energy: 2.2882251175496218
Energy: 1.7507565277623836
Energy: 1.379461876723239
Energy: 1.3897054586580886
Energy: 1.3678606262950306
Energy: 2.002516718978042
Energy: 1.8015320003367044
Energy: 1.357134422805585
Energy: 1.3602583807050685
Energy: 1.363443245840487
Energy: 1.3607693585106526
Energy: 1.5266073913631142
Energy: 2.06441042009079
Energy: 1.5759686493862877
Energy: 1.3638745092814204
Energy: 1.3830736510543327
Energy: 1.3627925649022603
Energy: 1.8824399674193877
Energy: 2.0699468702634563
Energy: 1.5809662359987606
Energy: 1.5983230460969642
Energy: 1.6315943095966385
Energy: 1.3651530013979172
Energy: 1.8917539424731926
Energy: 1.9604679880660754
Energy: 1.575565801566488
Energy: 1.5743731895787743
Energy: 1.6083246543984833
Energy: 1.576585669809224
Energy: 1.7433140546144512
Energy: 2.0696090544760963
Energy: 1.8747747799112762
Energy: 1.364691429047853
Energy: 1.5999233314972137
Energy: 1.5730579012086632
Energy: 1.8964342632323647
Energy: 2.0732406816507924
Energy: 1.8583916132293095
Energy: 1.597307436423732
Energy: 1.5177555529375149
Energy: 1.8782364933970517
Energy: 1.8597724789968633
Energy: 1.6051493820338836
Energy: 1.5253945610376576
Energy: 2.0025524679703497
Energy: 2.304947682799907
Energy: 1.8799633577073245
Energy: 1.7404891832840725
Energy: 1.3536305935460637
Energy: 1.3366617714197775
Energy: 1.8823240625696354
Energy: 2.285730954776066
Energy: 1.726129800851562
Energy: 1.3320224711557918
Energy: 1.327419874329592
Energy: 1.3236619590993517
Energy: 1.3265175910098284
Energy: 1.572232174018316
Energy: 1.324761633852525
Energy: 1.3244350885253426
Energy: 1.3458225580740646
Energy: 1.3326598469568478
Energy: 1.8828166075106239
Energy: 1.650522826101106
Energy: 1.3275814326845512
Energy: 1.3325900577396652
Energy: 1.3443496021644157
Energy: 1.943681016936114
Energy: 2.0575443904501314
Energy: 1.8680635650976054
Energy: 1.5328899193737175
Energy: 1.3559792746050376
Energy: 1.8513241407004961
Energy: 1.8672335100164807
Energy: 1.8650692935778201
Energy: 1.5207025890241213
Energy: 1.8660650049816347
Energy: 1.717387876890466
Energy: 2.0844905171383625
Energy: 1.887093158541464
Energy: 1.5843924291140112
Energy: 1.6427599862478737
Energy: 1.6868670524105998
Energy: 1.8782263118663065
Energy: 1.8767080175652429
Energy: 1.6477388452330541
Energy: 1.573172243908191
Energy: 1.6005687728447744
Energy: 1.5726159006230442
Energy: 1.7285236536208946
Energy: 1.8483763872869956
Energy: 1.5758555093883801
Energy: 1.3649196670551529
Energy: 1.6380286896728158
Energy: 1.5697639085059005
Energy: 1.7684339087603669

minimum gb energy = 1.3236619590993517 eV
minimum distance =  2.18419897215277 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.2295254269149347
Energy: 2.160788228590608
Energy: 1.4132158689674055
Energy: 1.6581278058203135
Energy: 1.8390991712116544
Energy: 2.160990952753367
Energy: 1.4934529936345446
Energy: 1.3800245317680926
Energy: 1.385291055737921
Energy: 1.3853350191902765
Energy: 1.3859251268336035
Energy: 1.7123242776528562
Energy: 1.8719926700379927
Energy: 1.7268068518260422
Energy: 1.379553942116877
Energy: 1.3796349901685496
Energy: 1.3806503144040532
Energy: 1.9316629262386864
Energy: 1.8291167884135573
Energy: 1.9546688689570466
Energy: 1.4086342561711447
Energy: 1.4075180588529823
Energy: 1.3818894048480517
Energy: 1.9244392108855408
Energy: 1.8581600723736282
Energy: 1.9526120226908972
Energy: 1.649921269108972
Energy: 2.188234658808379
Energy: 1.9209957190733142
Energy: 1.6630261758779257
Energy: 1.4112497066422367
Energy: 1.3828259308313193
Energy: 1.8996047677170411
Energy: 1.8983509380757215
Energy: 2.0369417243589276
Energy: 1.3989085042779958
Energy: 1.3806047584751928
Energy: 1.3740667833761862
Energy: 1.96967260284639
Energy: 1.8401698915544398
Energy: 1.3730273951892993
Energy: 1.3788201814112737
Energy: 1.3737420253294799
Energy: 1.3751216002364706
Energy: 1.711443296135014
Energy: 1.8705155056495384
Energy: 1.3749335673881586
Energy: 1.3758528914470813
Energy: 1.4157190230460428
Energy: 1.38129347189238
Energy: 1.9579305167147496
Energy: 1.5906162407788138
Energy: 1.380962998857463
Energy: 1.3859996693404995
Energy: 1.8492342133598754
Energy: 1.6791853239474273
Energy: 1.6801423132489715
Energy: 1.8147106133665138
Energy: 1.6798177310337128
Energy: 1.3816662150053616
Energy: 1.4329293580084712
Energy: 1.683792752603766
Energy: 1.735221071429015
Energy: 1.8517407110368949
Energy: 1.5252629132840347
Energy: 1.6770726922266976
Energy: 1.866361378854915
Energy: 1.7797343199291407
Energy: 1.3801848417025002
Energy: 1.8208019403113418
Energy: 1.6838870543332862
Energy: 1.3776413478059952
Energy: 1.433220031165916
Energy: 1.7145526685276964
Energy: 1.6859350038688834
Energy: 1.3825903082535864
Energy: 1.6842204239012861
Energy: 1.9772706281355537
Energy: 2.227058649634877
Energy: 1.8316972513614715
Energy: 1.4296310589145858
Energy: 1.4392602816729227
Energy: 1.800871658741591
Energy: 2.1609886693928035
Energy: 1.5800970088820914
Energy: 1.3797924304453553
Energy: 1.3863847850708308
Energy: 1.3882491646738544
Energy: 1.3859738055236315
Energy: 1.7124362016021069
Energy: 1.9698322892840678
Energy: 1.3762898565948596
Energy: 1.3795455894373176
Energy: 1.378669680751531
Energy: 1.3801612895020423
Energy: 1.4334746797569202
Energy: 1.8141056145354977
Energy: 1.923996934996342
Energy: 1.407373497530528
Energy: 1.4079502412765303
Energy: 1.4084583854851012
Energy: 1.9404099904491572
Energy: 1.8139894874692297
Energy: 1.9537837101499074
Energy: 1.967279698266301
Energy: 1.5249561689241848
Energy: 1.9502210310232622
Energy: 1.6630851003798703
Energy: 1.4147415082478751
Energy: 1.7179022896471823
Energy: 1.8993395119787264
Energy: 1.8981603775697136
Energy: 2.0389986269542106
Energy: 1.3977073862977074
Energy: 1.3937188969657675
Energy: 1.3794140652349645
Energy: 1.6646803561323205
Energy: 1.8385828038320455
Energy: 1.7300848819647667
Energy: 1.37911270876613
Energy: 1.3740710819812436
Energy: 1.3746696786915675
Energy: 1.7159046947352237
Energy: 1.8702996268922139
Energy: 1.374885052636007
Energy: 1.375678681767684
Energy: 1.4222301308376404
Energy: 1.3806408361028937
Energy: 1.9543469567658152
Energy: 1.3765899757090179
Energy: 1.6802823913866036
Energy: 1.381589754689557
Energy: 1.8603312286893052
Energy: 1.678957014303376
Energy: 1.6790413077997097
Energy: 1.814041978447076
Energy: 1.6797990539140084
Energy: 1.3840559916965676
Energy: 1.4356047104140277
Energy: 1.682031801318961
Energy: 1.8016334601576387
Energy: 1.854497641891892
Energy: 1.7093665206966675
Energy: 1.6773668824713373
Energy: 1.8631987358591227
Energy: 1.6874970475902038
Energy: 1.385245257445784
Energy: 1.840807802479974
Energy: 1.7869669019909982
Energy: 1.3829656246659416
Energy: 1.447389972243446
Energy: 1.684566324532349
Energy: 1.6847879410998277
Energy: 1.6898907311881286
Energy: 1.6848154566796978
Energy: 1.6798373907273894
Energy: 2.224768577882947
Energy: 1.8079063132346607
Energy: 1.8182920603819184
Energy: 1.4365588342552604
Energy: 1.822127398998076
Energy: 1.8983813914693775

minimum gb energy = 1.3730273951892993 eV
minimum distance =  2.14472383337529 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.6314188694125555
Energy: 1.8331882276584017
Energy: 1.6104511602519076
Energy: 1.6225894769094709
Energy: 1.8975000721578599
Energy: 2.1357675605747364
Energy: 1.6160680820517273
Energy: 1.4287632380402406
Energy: 1.4354789389248648
Energy: 1.430950684438559
Energy: 1.4316958893682985
Energy: 1.6760488149159776
Energy: 1.7795439161629836
Energy: 1.7281241684301119
Energy: 1.427619323759708
Energy: 1.4331804002013975
Energy: 1.4272811703646522
Energy: 1.9138862007618
Energy: 1.7628818540253328
Energy: 1.948478523841162
Energy: 1.4287609333745694
Energy: 1.4278737450545431
Energy: 1.6135126654713314
Energy: 1.947848459417879
Energy: 1.764755775975705
Energy: 1.8188502954011685
Energy: 1.8201741644685314
Energy: 1.625929149614113
Energy: 1.820171272717855
Energy: 1.5867123762832644
Energy: 1.3813310421686962
Energy: 1.3809940482054646
Energy: 2.1068065415544512
Energy: 1.8307550622648954
Energy: 1.9024665950984787
Energy: 1.3834470360488504
Energy: 1.3854788076553008
Energy: 1.3828505073280082
Energy: 1.8314690772103264
Energy: 1.6672117619107183
Energy: 1.38178966120452
Energy: 1.3879439895306895
Energy: 1.3862625559760084
Energy: 1.3887168091131623
Energy: 1.5997177779457832
Energy: 1.5614462878976445
Energy: 1.378728635064993
Energy: 1.38849130957135
Energy: 1.3841837991982997
Energy: 1.3792736257486444
Energy: 1.9184773651021692
Energy: 1.8730706899504757
Energy: 1.6153294822720157
Energy: 1.381926610733592
Energy: 1.9176333148556433
Energy: 1.7143534593315746
Energy: 1.875513111884083
Energy: 1.5569743867892036
Energy: 1.9222827443576977
Energy: 1.6900753302259233
Energy: 1.902960544164823
Energy: 1.9193242709112068
Energy: 1.4420620871868284
Energy: 1.4445173602905268
Energy: 1.6923921833031625
Energy: 1.8827350347575271
Energy: 2.0376811481227146
Energy: 1.8847890017566098
Energy: 1.4458177367795921
Energy: 1.4416317763893707
Energy: 1.4424802733505517
Energy: 1.8980609958969097
Energy: 1.9850412159202633
Energy: 1.561971439593326
Energy: 1.4437989591537004
Energy: 1.4477477435129469
Energy: 1.4444987278753494
Energy: 1.6413535045552214
Energy: 1.6327671412843492
Energy: 1.6106376547174681
Energy: 1.443663829253475
Energy: 1.4442190039009548
Energy: 1.5810148583538293
Energy: 2.1618082345173693
Energy: 1.664411910644913
Energy: 1.642579271910515
Energy: 1.5527871839350587
Energy: 1.4677783013737753
Energy: 1.6296206114925438
Energy: 1.6473521156581064
Energy: 1.8864240721896914
Energy: 1.929251781714937
Energy: 1.6455194972333504
Energy: 1.5501318283459669
Energy: 1.6473755495900713
Energy: 1.3723218007038056
Energy: 1.8748706296216817
Energy: 1.7340277681472072
Energy: 1.6083536087239336
Energy: 1.4694449046147027
Energy: 1.6867487841906217
Energy: 1.7355840170985488
Energy: 1.8787320567455432
Energy: 1.3774644228424122
Energy: 1.7347757824272427
Energy: 1.470023972786309
Energy: 1.7337176848784814
Energy: 1.386254406999471
Energy: 1.5079798710248795
Energy: 1.5599136961613767
Energy: 2.1935600729139453
Energy: 2.0684975221210773
Energy: 2.193533878626447
Energy: 1.6236885348009535
Energy: 1.5477069096515863
Energy: 1.3772340958389384
Energy: 1.5065511888586154
Energy: 1.470873135251243
Energy: 1.5024160811362264
Energy: 1.3860286947980198
Energy: 1.5392009908002524
Energy: 1.4980334434924991
Energy: 1.8502980019561694
Energy: 1.46901562095051
Energy: 1.6091440465473534
Energy: 1.507664702729296
Energy: 1.5448177971173536
Energy: 1.4997544502593356
Energy: 1.9282175255580782
Energy: 1.6948616947551807
Energy: 1.929879067895596
Energy: 1.368359889666785
Energy: 1.6254289894754221
Energy: 1.8806236250241657
Energy: 1.697203878918572
Energy: 1.4676248273864416
Energy: 1.8886379885632028
Energy: 1.7957032457570379
Energy: 1.9109664511946924
Energy: 1.9455976526454324
Energy: 1.392842680897444
Energy: 1.3934536699807467
Energy: 1.8677453756240001
Energy: 2.1069068812811973
Energy: 1.6706688026869454
Energy: 1.7393663740075438
Energy: 1.3931850001896962
Energy: 1.3928103470151312
Energy: 1.3926132427947049
Energy: 1.8800193437685158
Energy: 1.7897429178904765
Energy: 1.5739521696198049
Energy: 1.4024289557990646
Energy: 1.3982866913110918
Energy: 1.3943552683024982
Energy: 1.7643179526270478
Energy: 1.6201710035718513
Energy: 1.7247794373969156
Energy: 1.3938767640703742
Energy: 1.3986142501419112
Energy: 1.3957912539625106
Energy: 1.9942845600388432
Energy: 1.8756411784596037
Energy: 1.9181275571512377
Energy: 1.646184140895735
Energy: 1.7679619276369647
Energy: 1.7050978737783709
Energy: 1.9073806066054295
Energy: 1.4311496781870798
Energy: 1.4291769023195489
Energy: 1.923654219480069
Energy: 1.8263418889907914
Energy: 1.9511838670352455
Energy: 1.4291927475301331
Energy: 1.4330870401531395
Energy: 1.4288355304220333
Energy: 1.6201325952051937
Energy: 1.7740328158117167
Energy: 1.428802700381559
Energy: 1.4292926993893105
Energy: 1.434207263483683
Energy: 1.4330157416637135
Energy: 1.5606811506036913
Energy: 1.9265031653123197
Energy: 1.43053064434315
Energy: 1.4323918079855724
Energy: 1.433602913510057
Energy: 1.4326792598865485
Energy: 1.6669424651149711
Energy: 1.8258115209823964
Energy: 1.4330419980166058
Energy: 1.4327961143384491
Energy: 1.7635830566267874
Energy: 1.5603232954711825
Energy: 1.5600887696251424
Energy: 1.6635133898628602
Energy: 1.5605770675171788
Energy: 1.4324765545847726
Energy: 1.6119195364059193
Energy: 1.6670484741978733
Energy: 1.4311381231013798
Energy: 1.773518664371836
Energy: 1.5880175599552058
Energy: 1.6697936821673822
Energy: 1.7802857516635013
Energy: 1.7214862738571606
Energy: 1.6725453224592055
Energy: 1.6730790543130747
Energy: 1.6723330220662271
Energy: 1.5690051455154437
Energy: 1.786279324181797
Energy: 1.6728247851400264
Energy: 1.431163772273608
Energy: 1.7663859504461152
Energy: 1.672622958407193
Energy: 1.6718935470937486

minimum gb energy = 1.368359889666785 eV
minimum distance =  2.13484154095838 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.3672057671950917
Energy: 1.366959308452418
Energy: 1.5271058776000894
Energy: 1.535384364172747
Energy: 1.9583658585615231
Energy: 1.3666826708337099
Energy: 1.3673531733315116
Energy: 1.5514691205546278
Energy: 1.3686628759791573
Energy: 1.3685211896165945
Energy: 1.3682379208535658
Energy: 1.5497940125917202
Energy: 1.5184239055229833
Energy: 1.5512602966014715
Energy: 1.3685682272597601
Energy: 1.368338019578524
Energy: 1.3686221653614705
Energy: 1.5491356781942232
Energy: 1.5356922724674307
Energy: 1.5334999290958324
Energy: 1.4718181079833088
Energy: 1.7813905669094314
Energy: 1.5514493913756429
Energy: 1.5264293486502156
Energy: 1.5185869392229048
Energy: 1.5187083211336614
Energy: 1.533166800037447
Energy: 1.367494321351776
Energy: 1.5321619787069285
Energy: 1.5494778597919643
Energy: 1.3685738323944883
Energy: 1.7799061876147049
Energy: 1.3664774870381944
Energy: 1.370670684693844
Energy: 1.5500065778945347
Energy: 1.4704020451768254
Energy: 1.3687603065991805
Energy: 1.3694492811824337
Energy: 1.5499392080011152
Energy: 1.3688534302131523
Energy: 1.7738358995553183
Energy: 1.3686584434111988
Energy: 1.369047631766409
Energy: 1.3689951012712647
Energy: 1.5496555982382882
Energy: 1.5334004172348839
Energy: 1.5508766254963526
Energy: 1.3680867791119886
Energy: 1.7608566452437668
Energy: 1.4705044628267385
Energy: 1.5494996354095707
Energy: 1.5349550467030026
Energy: 1.5495006032273113
Energy: 1.4718974705218433
Energy: 1.366778340471856
Energy: 1.5327576013875182
Energy: 1.5499742107860899
Energy: 1.5330600831541366
Energy: 1.5338381984785339
Energy: 1.3689882570047058

minimum gb energy = 1.3664774870381944 eV
minimum distance =  2.30057407029368 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.1795365034719842
Energy: 1.4773082501743855
Energy: 1.6584695462018275
Energy: 1.6771930553223924
Energy: 1.6744344434687815
Energy: 2.056100737038237
Energy: 1.7770682692709707
Energy: 1.5975453406621374
Energy: 1.5797485595020309
Energy: 1.5746558013436942
Energy: 1.615224100284066
Energy: 1.6125146532507921
Energy: 1.5775412051055973
Energy: 1.5859760926369613
Energy: 1.6324365805199452
Energy: 1.5827031372181672
Energy: 1.6692002607072183
Energy: 1.5767988991545294
Energy: 1.5918440626878556
Energy: 1.630316517768682
Energy: 1.680851057737057
Energy: 1.5835804977598775
Energy: 1.6679768175208123
Energy: 1.6303199674568403
Energy: 1.5784874489765963
Energy: 1.6170030098740626
Energy: 1.843657296574863
Energy: 1.8682478451802074
Energy: 1.614700280782214
Energy: 1.5780708512698172
Energy: 1.7726884204858235
Energy: 1.6183258892634944
Energy: 1.6737922660454234
Energy: 1.695564768890475
Energy: 1.5749845266953264
Energy: 1.649884311534468
Energy: 1.7590560375285007
Energy: 1.6184446144619098
Energy: 1.9070560933313234
Energy: 1.370725549937248
Energy: 1.9077527846299873
Energy: 1.6162868268402717
Energy: 1.783314106380316
Energy: 1.634321785404521
Energy: 1.3712278642509457
Energy: 1.370410365545562
Energy: 1.3717684785317785
Energy: 1.6150644636724905
Energy: 1.8698270003748791
Energy: 1.3916123224880415
Energy: 1.3921512270573035
Energy: 1.3742116523249315
Energy: 1.392523037936403
Energy: 1.9306030913379466
Energy: 1.5814326152898863
Energy: 1.3726647965575405
Energy: 1.3719972772052673
Energy: 1.3697090336030693
Energy: 1.3731527106302563
Energy: 1.6840956848524158
Energy: 1.882474538197764
Energy: 1.6838416585697478
Energy: 1.46316799653279
Energy: 1.658511191667177
Energy: 1.8018030034974315
Energy: 1.9575343038939435
Energy: 1.86679687051424
Energy: 1.998610149102956
Energy: 1.6802643641888042
Energy: 1.705168697780824
Energy: 1.9836808128904815
Energy: 1.79802772819578
Energy: 1.372772152033411
Energy: 1.3726017386383007
Energy: 1.6838615313871537
Energy: 1.7077470881025754
Energy: 1.393418729127425
Energy: 1.3737079937295098
Energy: 1.3748221957195015
Energy: 1.3727021624014923
Energy: 1.8354801956856899
Energy: 1.867142353073545
Energy: 1.3910655913658858
Energy: 1.3718383645033545
Energy: 1.3729741892944658
Energy: 1.3725317486569315
Energy: 1.6867041930226685
Energy: 1.738357988201585
Energy: 1.6228099529321511
Energy: 1.3730883063292039
Energy: 1.3730795025735296
Energy: 2.034908913670402
Energy: 1.9670494771512694
Energy: 1.7391840455540986
Energy: 1.9732021012693228
Energy: 1.3734599632611506
Energy: 1.986643756718178
Energy: 1.587069502606881
Energy: 1.5748539899150307
Energy: 1.8537488913706728
Energy: 1.5880627314573785
Energy: 1.9060139106592162
Energy: 1.9277610701470005
Energy: 1.584736779423122
Energy: 1.588055316617314
Energy: 1.5748438070884216
Energy: 1.5808624966138263
Energy: 1.906743208902082
Energy: 1.5856038995662833
Energy: 1.6668098059442555
Energy: 1.6326551365772097
Energy: 1.6140073867559581
Energy: 1.6283355478176178
Energy: 1.5769800926812727
Energy: 1.5772716017574335
Energy: 1.722921563926213
Energy: 1.6852557687235457
Energy: 1.574739175827408
Energy: 1.495457898640646
Energy: 1.6152616527778751
Energy: 1.5876326970084929
Energy: 1.6158726021672078
Energy: 1.6668446154239516
Energy: 1.5822088695655032
Energy: 1.6316892403268874
Energy: 1.6153458709316324
Energy: 1.5769853803576313
Energy: 1.5789054386298387
Energy: 1.7587562707841147
Energy: 1.695974366045648
Energy: 1.9267460393651363
Energy: 1.5904234050216617
Energy: 1.8577885632589124
Energy: 1.5802797481473967
Energy: 1.8362573887051854
Energy: 1.7696841979797169
Energy: 1.9042164252048204
Energy: 1.5744924345208733
Energy: 1.7830439910079248
Energy: 1.9649526977190255
Energy: 1.374150975105308
Energy: 1.3706540290090983
Energy: 1.890064938218079
Energy: 1.827972523831544
Energy: 1.857055666289086
Energy: 1.6078217709781704
Energy: 1.3929882575786476
Energy: 1.3743326541683052
Energy: 1.3927230293648585
Energy: 1.939317807443326
Energy: 1.8661366934231922
Energy: 1.3725409049492245
Energy: 1.3719580418279613
Energy: 1.3717030759239406
Energy: 1.3917099743268102
Energy: 1.4995301600293858
Energy: 1.8711944925383936
Energy: 1.6840871912400435
Energy: 1.3702822906783638
Energy: 1.3700122613186838
Energy: 1.678591931795652
Energy: 1.9857135524894345
Energy: 1.7711847948027555
Energy: 1.682837509916257
Energy: 1.6835545564489984
Energy: 1.93069229065128
Energy: 1.681989285076363
Energy: 1.6787494660095987
Energy: 1.3731600447560044
Energy: 1.37261612020704
Energy: 1.9830329895224592
Energy: 1.392716296193394
Energy: 1.9814509853926767
Energy: 1.3727202626656962
Energy: 1.3729439428554384
Energy: 1.3713926518636659
Energy: 1.3735948487167438
Energy: 1.8668655290690208
Energy: 1.37196886374878
Energy: 1.3714194037089995
Energy: 1.3737849990925044
Energy: 1.3909741734778915
Energy: 1.7288805162450454
Energy: 1.857515836225601
Energy: 1.3929398826842854
Energy: 1.3728941766179361
Energy: 1.3730356545337086
Energy: 1.3734462575651054
Energy: 1.964550269103193
Energy: 1.9590038407976664
Energy: 1.9882260752279155
Energy: 1.3741635797158922
Energy: 1.56660273139906
Energy: 1.8371042807511633
Energy: 1.5810737376778503
Energy: 1.857636125026097
Energy: 1.5807448907517498
Energy: 1.9070039038087714

minimum gb energy = 1.3697090336030693 eV
minimum distance =  2.26999451401608 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.9366627149423519
Energy: 1.3777622953594189
Energy: 1.5698575191208475
Energy: 1.5927195548633624
Energy: 1.569417444574255
Energy: 1.3790514268351788
Energy: 1.8335370702795597
Energy: 1.5772775172282767
Energy: 1.6732075444758332
Energy: 1.56209346002391
Energy: 1.673943019568081
Energy: 1.5863377238357355
Energy: 1.5592268131461038
Energy: 1.3912823286197191
Energy: 1.655757981759855
Energy: 1.5654800524356478
Energy: 1.5805188684260392
Energy: 1.5803475620440288
Energy: 1.5868109966385777
Energy: 1.6466183414171822
Energy: 1.577201504892405
Energy: 1.5780807598330546
Energy: 1.3925858043425585
Energy: 1.639483295041345
Energy: 1.5708529839119771
Energy: 1.6389881314911803
Energy: 1.6900689092900065
Energy: 1.5684311027457185
Energy: 1.6535729464137272
Energy: 1.5746006665688954
Energy: 1.6789978780589945
Energy: 1.6554629624744388
Energy: 2.0924026599993653
Energy: 1.6576915859162547
Energy: 1.6430714502449273
Energy: 1.6543061076111312
Energy: 1.8181836560269955
Energy: 1.6393478255567857
Energy: 1.6878363321554224
Energy: 1.56796195638317
Energy: 1.6533126871189074
Energy: 1.6404854148531014
Energy: 1.8238267578200884
Energy: 1.6538949029808068
Energy: 1.323232556635658
Energy: 1.319082588828282
Energy: 1.3231798885218324
Energy: 1.9492940306467545
Energy: 1.8532481113891708
Energy: 1.3528704127829703
Energy: 1.3569851042581476
Energy: 1.3229478726372448
Energy: 1.353962254100788
Energy: 1.8512794041050697
Energy: 1.8439460815436954
Energy: 1.5794600192595392
Energy: 1.3213208306987887
Energy: 1.3228723803092828
Energy: 1.3237423741256467
Energy: 1.6762932413321807
Energy: 1.8442832917820458
Energy: 1.6874047637586875
Energy: 1.7995835631460362
Energy: 1.3493218365849524
Energy: 2.1308608845222463
Energy: 1.7143362675882912
Energy: 1.8447389747290392
Energy: 2.1326487567705508
Energy: 1.3158894178992284
Energy: 1.8343036189835067
Energy: 1.7043867283313154
Energy: 2.047166760236455
Energy: 1.5590354128322765
Energy: 1.669470994974416
Energy: 1.315790844340685
Energy: 1.8334327911153536
Energy: 1.7043988873882419
Energy: 1.5704140193149467
Energy: 1.5604393151561988
Energy: 1.654069808518071
Energy: 1.3886973215550287
Energy: 1.5784469986776037
Energy: 1.685160559758024
Energy: 1.6523750011081926
Energy: 1.5611839562689296
Energy: 1.5787532404039417
Energy: 1.6411927595751614
Energy: 1.5711934444116638
Energy: 1.5881214713255807
Energy: 1.677023336521175
Energy: 1.5796172488166764
Energy: 1.6389920056737384
Energy: 1.6560788499714778
Energy: 1.57686407181976
Energy: 1.652607130952636
Energy: 1.5798690662712471
Energy: 1.8461147556802266
Energy: 1.719073683680835
Energy: 1.5711645983596705
Energy: 1.5605829650749385
Energy: 1.5766163116516911
Energy: 1.6283124171899424
Energy: 1.845803757885013
Energy: 1.6892403468826973
Energy: 1.570190296941865
Energy: 1.8278215099572845
Energy: 1.640220806128208
Energy: 1.5774277288457867
Energy: 1.3499405613159021
Energy: 1.3209738916321658
Energy: 1.9182194378762312
Energy: 1.9211638192792466
Energy: 1.6379821170301416
Energy: 1.3206848253514356
Energy: 1.3192522478290902
Energy: 1.340195798205336
Energy: 1.9518539004040723
Energy: 1.8300803643158963
Energy: 1.3413063542723074
Energy: 1.3195165992675764
Energy: 1.3174113695516234
Energy: 1.3534326426423513
Energy: 1.588530553624891
Energy: 1.8547896593877757
Energy: 1.3531557475217693
Energy: 1.3448871732509542
Energy: 1.319006791206848
Energy: 1.3229227918848179
Energy: 1.7121771281806772
Energy: 1.5633929691646682
Energy: 1.575952295774999
Energy: 1.3195460427470194
Energy: 1.834111367514836
Energy: 1.5798058606185303
Energy: 1.6740476713494128
Energy: 1.8443154698443944
Energy: 1.6744167877115799
Energy: 1.579396478712768

minimum gb energy = 1.315790844340685 eV
minimum distance =  2.23057010557069 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.980940328443653
Energy: 1.591967626159453
Energy: 1.7010305000630124
Energy: 1.7583004552006278
Energy: 1.7010588484179863
Energy: 2.2225706379552372
Energy: 1.5373859286150575
Energy: 1.6276139862950203
Energy: 1.6921738007172147
Energy: 1.6920171539419975
Energy: 1.8442428377891302
Energy: 1.6255890717439279
Energy: 1.3998234797695814
Energy: 1.4416234566668695
Energy: 1.833746038755713
Energy: 1.584449413093024
Energy: 1.7212309639612582
Energy: 1.3991051055421717
Energy: 1.433108115735759
Energy: 1.4586657877805749
Energy: 1.4685840365579257
Energy: 1.6918126986638886
Energy: 1.4391674217119883
Energy: 1.4588859589744043
Energy: 1.401723646712671
Energy: 1.4410908209184992
Energy: 1.6349960248194209
Energy: 1.6922148362923444
Energy: 1.4473582061524644
Energy: 1.3982562760658288
Energy: 1.4004778587029698
Energy: 1.4008283742393872
Energy: 1.6468253279382132
Energy: 1.7247568851902273
Energy: 1.8963465687881103
Energy: 1.4014754187342844
Energy: 1.8235424610581643
Energy: 1.4411008941226948
Energy: 1.6465123047647592
Energy: 1.693091728765163
Energy: 1.9624331658102931
Energy: 1.547479801177574
Energy: 1.832084213138546
Energy: 1.4490804550610363
Energy: 1.402467753558995
Energy: 1.4007666629980087
Energy: 1.4021477152333752
Energy: 1.617653247659063
Energy: 1.6917017844427433
Energy: 1.4050425139311913
Energy: 1.4483410538087245
Energy: 1.4041026687663285
Energy: 1.447915652663598
Energy: 1.692309305973412
Energy: 1.7016245829878318
Energy: 1.4654296860290452
Energy: 1.4046273250323846
Energy: 1.416509741344805
Energy: 1.457847195497894
Energy: 1.7581351605092457
Energy: 1.7011828776304432
Energy: 1.8334747224348493
Energy: 1.5302386571868
Energy: 1.3977625847068929
Energy: 1.8217181055256677
Energy: 1.831853469114451
Energy: 1.6912784729154458
Energy: 1.6911905151879358
Energy: 1.2624312443879924
Energy: 1.6853684626416605
Energy: 1.8355769616712547
Energy: 1.7024280534350003
Energy: 1.859292921070094
Energy: 1.694447436956061
Energy: 1.5614724741098198
Energy: 1.6726953642217859
Energy: 1.7273756004672312
Energy: 2.0009763577145585
Energy: 1.8629718168576828
Energy: 1.832276117872234
Energy: 1.260337389169594
Energy: 1.2592598060350642
Energy: 2.142718534453668
Energy: 2.031157269220768
Energy: 1.8630481052967196
Energy: 1.2623949457495796
Energy: 1.2598219047689223
Energy: 1.2626483502142214
Energy: 1.258108540136248
Energy: 1.7558063549470408
Energy: 1.8765314109028668
Energy: 1.2607619034242785
Energy: 1.2610220382776451
Energy: 1.2607945223109545
Energy: 1.2629431750310451
Energy: 2.152411741381593
Energy: 1.7335518296542534
Energy: 1.8491010955501528
Energy: 1.2603621983576052
Energy: 1.2601423943559278
Energy: 1.260152166796447
Energy: 1.7363789456810572
Energy: 1.8596352509492247
Energy: 1.735879443746652
Energy: 2.0234901631534785
Energy: 1.4029514322812957
Energy: 2.0042035820633584
Energy: 1.693798168010126
Energy: 1.746388320591286
Energy: 2.0277503485089254
Energy: 1.5382702489303468
Energy: 1.5718996716146436
Energy: 1.9746111143720235
Energy: 1.745820470337476
Energy: 1.6913051595469735
Energy: 1.7360709626087831
Energy: 1.624468907677238
Energy: 1.5375521401521612
Energy: 1.6269520565675282
Energy: 1.6912447657871532
Energy: 1.5844398138763527
Energy: 1.8208766984033786
Energy: 1.5226627340134087
Energy: 1.3995594122729955
Energy: 1.4553606970303015
Energy: 1.825529746474217
Energy: 1.6917871975250862
Energy: 1.4552916059448646
Energy: 1.4474318610058627
Energy: 1.4355355975289552
Energy: 1.4580140327355626
Energy: 1.8257405030673342
Energy: 1.6920665539983233
Energy: 1.4474412217886028
Energy: 1.4009796427090655
Energy: 1.4007074677758244
Energy: 1.4413488818307796
Energy: 1.6407670374209544
Energy: 1.8672083400538178
Energy: 2.2213891059246667
Energy: 1.4021686786481964
Energy: 1.400877042424675
Energy: 1.4018704552629213
Energy: 2.1315496057441616
Energy: 1.6919382565371492
Energy: 1.9567346241618184
Energy: 1.4072519984876206
Energy: 1.8395823180656303
Energy: 1.4415517093399808
Energy: 1.653675503421087
Energy: 1.4005020608530216
Energy: 1.4029931074997914
Energy: 1.6243293622558521
Energy: 1.8611816456211487
Energy: 1.5399350584707578
Energy: 1.4022831699848155
Energy: 1.406812733294419
Energy: 1.4472308319294755
Energy: 1.4593002205814403
Energy: 1.6864103060121878
Energy: 1.4749961742804418
Energy: 1.4427248972559918
Energy: 1.4196601227664527
Energy: 1.4727334241933134
Energy: 1.527072377573846
Energy: 1.69227948657067
Energy: 1.4551304920585022
Energy: 1.4417456697965383
Energy: 1.401667261226952
Energy: 1.4518181685231757
Energy: 1.8327508823917036
Energy: 1.7191045868212238
Energy: 1.8284339647602206
Energy: 1.399769550340431
Energy: 1.694254877544727
Energy: 1.6951141052302199
Energy: 1.6910973677142827
Energy: 1.691311746033083
Energy: 1.6916080248320462
Energy: 1.4435909893740768
Energy: 1.6843905743275367
Energy: 1.7184649895013429
Energy: 1.7025355870879426
Energy: 1.877611363430427
Energy: 1.691557853551913
Energy: 1.4396972883691372
Energy: 1.4010639627825823
Energy: 1.622865481050889
Energy: 1.8307884936540346
Energy: 1.8627260523853393
Energy: 1.8358568942779792
Energy: 1.260491942622974
Energy: 1.2735847627378452
Energy: 1.260173832502585
Energy: 1.7573751037171637
Energy: 1.8545467652859984
Energy: 1.262223903556669
Energy: 1.259014778118365
Energy: 1.2582015241483198
Energy: 1.261082190740759
Energy: 1.2614979992207285
Energy: 1.8780788110191282
Energy: 1.2609255446286298
Energy: 1.26095088087029
Energy: 1.2604229715323139
Energy: 1.262107780291267
Energy: 1.8499327580946738
Energy: 1.846588426333635
Energy: 1.2604948587869744
Energy: 1.2581435899319422
Energy: 1.4022503820441483
Energy: 2.0226776624704668
Energy: 1.7357925596647812
Energy: 1.8496039817950283
Energy: 1.8350202990639926
Energy: 1.2601905575459917
Energy: 1.839648677616834
Energy: 1.5918486313915268
Energy: 2.0165144338333305
Energy: 1.7460268756788362
Energy: 1.9887979265869966
Energy: 2.214021919175369

minimum gb energy = 1.258108540136248 eV
minimum distance =  2.26703770613791 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 2.116057147096194
Energy: 2.0430394699246515
Energy: 1.411020721909623
Energy: 1.4153094435502749
Energy: 1.405909102397364
Energy: 2.0384416045618345
Energy: 1.7955631447253073
Energy: 1.1343282391566374
Energy: 1.1340666252507519
Energy: 1.4879852014080261
Energy: 1.1497753810348441
Energy: 1.4273128624730884
Energy: 1.4265764142674295
Energy: 1.1343495417150726
Energy: 1.4890880606374022
Energy: 1.0526603980686493
Energy: 1.1323341637135538
Energy: 1.435582252263561
Energy: 1.434824104958121
Energy: 1.5550917796785761
Energy: 1.1517944053166262
Energy: 1.4283963961061439
Energy: 1.1329340180224787
Energy: 1.55437137106843
Energy: 1.4252751108995745
Energy: 1.4272670554331883
Energy: 1.1496598585563191
Energy: 1.5138469378716108
Energy: 1.5642027776176135
Energy: 1.4280500594558314
Energy: 1.4099448041824285
Energy: 1.4103952763396832
Energy: 1.9068932927899744
Energy: 1.4310024658646316
Energy: 1.9439185746945364
Energy: 1.4101458754296536
Energy: 1.793513263826429
Energy: 1.5537896053250866
Energy: 1.969496352792046
Energy: 1.4372917083498693
Energy: 1.5643252239867431
Energy: 1.9403042397490096
Energy: 1.7934262716989253
Energy: 1.5562323457475442
Energy: 1.4271860648364383
Energy: 1.4267776600768018
Energy: 1.137702144378029
Energy: 2.0456494840601818
Energy: 1.4287765903142509
Energy: 1.5541537684387772
Energy: 1.4893040881127275
Energy: 1.0491014649313095
Energy: 1.137414894408543
Energy: 1.4522890113718043
Energy: 1.4343610988423416
Energy: 1.1381233176130385
Energy: 1.1393474545760176
Energy: 1.4894690746991237
Energy: 1.137448169951876
Energy: 1.4353046788744195
Energy: 1.4374734892081233
Energy: 1.5554062109711855
Energy: 1.1410326411467324
Energy: 1.4518278966682279
Energy: 1.5539922512672182
Energy: 1.5572676498873752
Energy: 1.405983365149247
Energy: 1.410962563170502
Energy: 1.6089366467930193
Energy: 1.502393903298593
Energy: 1.6096106196647089
Energy: 1.4105144743084184
Energy: 1.4281211424093092
Energy: 1.4110759971281883
Energy: 2.039311075031311
Energy: 1.5133712971892916
Energy: 1.609851663810256
Energy: 1.4097818501046642
Energy: 1.7933593905323875
Energy: 1.5562759408010098
Energy: 1.4374440548464158
Energy: 1.4380188843306305
Energy: 1.4557623574655223
Energy: 2.042512173121737

minimum gb energy = 1.0491014649313095 eV
minimum distance =  2.25149047332908 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.9889690882057793
Energy: 2.155832655351373
Energy: 1.7251523174387389
Energy: 1.7374646472532513
Energy: 1.7257753425309148
Energy: 2.1934409536134045
Energy: 1.335790595607931
Energy: 1.9170883329903836
Energy: 1.6597015793325642
Energy: 1.7742280748940271
Energy: 1.810233345158689
Energy: 1.918303546470518
Energy: 1.3242185740309045
Energy: 1.3236984174660473
Energy: 2.02561028056496
Energy: 1.6155593607916496
Energy: 1.6083286117747297
Energy: 1.3259072610026728
Energy: 1.3222627478667428
Energy: 1.3760224497498235
Energy: 1.4450892750705198
Energy: 1.658744469167329
Energy: 1.4454477116623738
Energy: 1.3762866960254099
Energy: 1.324255468906305
Energy: 1.3835782649910022
Energy: 1.6089131488359465
Energy: 1.7768169503358815
Energy: 1.4441064135738273
Energy: 1.3848136611069686
Energy: 1.3321190215334118
Energy: 1.324506502346004
Energy: 1.999073802479897
Energy: 1.7770348079205391
Energy: 1.9998315912988
Energy: 1.3251407734305676
Energy: 1.7619970917904049
Energy: 1.604432716866643
Energy: 1.7459943352919283
Energy: 1.7480804998369837
Energy: 1.7541923483293875
Energy: 2.0980886725355012
Energy: 1.7673396094911835
Energy: 1.8907129957192297
Energy: 1.782844857004586
Energy: 1.573672678779888
Energy: 1.5749923429228323
Energy: 1.8456687092915902
Energy: 1.3294274630298972
Energy: 1.3230689453757742
Energy: 1.7565433749140507
Energy: 1.8860025859104501
Energy: 1.9997090984572208
Energy: 1.5252803161670914
Energy: 1.4622554676544322
Energy: 1.4633619295779188
Energy: 1.6075936250132312
Energy: 1.8859997210571304
Energy: 1.5438528907781535
Energy: 1.4701643087499
Energy: 1.4709549088470202
Energy: 1.6234125785579163
Energy: 1.4470788870166567
Energy: 1.4692079998289882
Energy: 1.6735793212743013
Energy: 1.472942008514095
Energy: 1.491502475637958
Energy: 1.603881633401195
Energy: 1.543833588373038
Energy: 1.4728819839680691
Energy: 1.6237636832296642
Energy: 1.472331218188299
Energy: 1.527097203356098
Energy: 1.6229400622725494
Energy: 1.4726875613757204
Energy: 1.47215913925298
Energy: 1.5436449964643828
Energy: 1.563748397543179
Energy: 1.7513125812390828
Energy: 1.4619277153596086
Energy: 1.4697446975343742
Energy: 1.477110306473801
Energy: 1.4622627568830175
Energy: 1.898780274871546
Energy: 1.684141440046366
Energy: 1.8323638561297213
Energy: 2.102198596267462
Energy: 1.3386932971288614
Energy: 2.101013230541406
Energy: 2.053442663685272
Energy: 1.7370360079430027
Energy: 1.725772723554245
Energy: 1.6022584841165333
Energy: 1.886732332326147
Energy: 1.9628820572611478
Energy: 1.7233621880012948
Energy: 1.7746617720199203
Energy: 1.5891700593219782
Energy: 1.6205656838531253
Energy: 1.6215261677656188
Energy: 1.5932018428798373
Energy: 1.7781484387808415
Energy: 1.6150937373306564
Energy: 2.0246688461531184
Energy: 1.3225914976228603
Energy: 1.3244753872424038
Energy: 1.32335423777445
Energy: 1.799678976375028
Energy: 1.7756165614904669
Energy: 1.4454023155175983
Energy: 1.3749060622024882
Energy: 1.3734529363021215
Energy: 1.3765987285809298
Energy: 1.8171513072476182
Energy: 1.777245596916126
Energy: 1.444738669321136
Energy: 1.3772899942631756
Energy: 1.3258192902355168
Energy: 1.3774763824839125
Energy: 1.7920290281123359
Energy: 1.7817423816843898
Energy: 1.9984666423816462
Energy: 1.325676959202849
Energy: 1.329621642999413
Energy: 1.5663585992321345
Energy: 2.0074829541994017
Energy: 1.7454214242150363
Energy: 1.7536897277986632
Energy: 1.9011328008175863
Energy: 1.6404574306391388
Energy: 1.8547224162317646
Energy: 1.7538648970300545
Energy: 1.5732474055322854
Energy: 1.7829846105348068
Energy: 1.941901034302113
Energy: 1.772204292652345
Energy: 1.9189242871940402
Energy: 1.5746463568455726
Energy: 1.885906215486643
Energy: 1.757072634206299
Energy: 1.3247545902755304
Energy: 1.3381619929442907
Energy: 1.832133985736387
Energy: 1.8864609993723103
Energy: 1.8860256400347617
Energy: 1.6069101769700904
Energy: 1.4634381310582139
Energy: 1.462848747273108
Energy: 1.4628681187829404
Energy: 1.8864121214323377
Energy: 1.5260830033688446
Energy: 1.6735384170123853
Energy: 1.5432888281371484
Energy: 1.4721361107602922
Energy: 1.6235599968283263
Energy: 1.5471073587875057
Energy: 1.4719735057689163
Energy: 1.543849200083655
Energy: 1.5432130196604286
Energy: 1.4931202598056528
Energy: 1.4780497497462073
Energy: 1.472831037483768
Energy: 1.4713805302912941
Energy: 1.5438637112460474
Energy: 1.4476324726776886
Energy: 1.5529585440692122
Energy: 1.6231250519217832
Energy: 1.4725344973341405
Energy: 1.4774173288698969
Energy: 1.4621002045419091
Energy: 1.5406662524844161
Energy: 1.7508987932877234
Energy: 1.462224321802265
Energy: 1.4699680209066268
Energy: 1.3687619534109403
Energy: 2.1004854009150757
Energy: 2.0959793823579838
Energy: 1.7941246254610907
Energy: 2.1051036640927077
Energy: 1.3252965048811245
Energy: 1.885538707755356
Energy: 1.8042051502181233
Energy: 1.7236039466917195
Energy: 1.7377456433145337
Energy: 1.6937913253756307
Energy: 1.7943172729713146

minimum gb energy = 1.3222627478667428 eV
minimum distance =  2.23392453332782 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.4363489354799657
Energy: 2.1927429606513233
Energy: 1.6129446918533705
Energy: 1.5077536131102107
Energy: 1.6124866213445932
Energy: 2.1933155275448506
Energy: 1.3770334306704124
Energy: 1.5161817673396991
Energy: 1.5266239892101623
Energy: 1.4697024317037848
Energy: 1.6143644228569707
Energy: 1.5274184236216404
Energy: 1.3892524897840637
Energy: 1.3900448478646676
Energy: 1.512973530190896
Energy: 1.3859972855566063
Energy: 1.5129393850073845
Energy: 1.3955417222191946
Energy: 1.3891750595861736
Energy: 1.475330218786617
Energy: 1.526901555634093
Energy: 1.4003837729983812
Energy: 1.6035628567383353
Energy: 1.4730406114233958
Energy: 1.394685188069494
Energy: 1.4962574599459215
Energy: 1.526340210282779
Energy: 1.656860610791374
Energy: 1.5800565444767958
Energy: 1.477298140222159
Energy: 1.4751055706022331
Energy: 1.5382429596463483
Energy: 1.8806601211223872
Energy: 1.6546389603677416
Energy: 1.9014255532405744
Energy: 1.3964027333932023
Energy: 1.6176676073874106
Energy: 1.6207092179569762
Energy: 1.6243411752343424
Energy: 1.623643087151284
Energy: 1.6201624491185078
Energy: 1.7666570098759706
Energy: 1.6181276382003182
Energy: 1.6192213899788948
Energy: 1.713420225616326
Energy: 1.6175780168847644
Energy: 1.7258352102058476
Energy: 1.9714954822246762
Energy: 1.47530544376355
Energy: 1.3899702279161785
Energy: 1.8277084573013787
Energy: 1.3761900006012822
Energy: 1.902249369108888
Energy: 1.3957965202558862
Energy: 1.4001100968929585
Energy: 1.3959606906879958
Energy: 1.61249207905562
Energy: 1.3763204744225235
Energy: 1.5325256553896907
Energy: 1.4009781034602327
Energy: 1.3764784591899988
Energy: 1.5128295820959843
Energy: 1.6356357911069723
Energy: 1.3945122297196917
Energy: 1.6306535709159011
Energy: 1.740464612590947
Energy: 1.3761745306421385
Energy: 1.5182730446925057
Energy: 1.4779030441295737
Energy: 1.3949097090923448
Energy: 1.475366826988245
Energy: 1.6161192540684204
Energy: 1.4676667409407849
Energy: 1.6041209916741166
Energy: 1.4765570864512563
Energy: 1.3896155062497257
Energy: 1.5842082235982184
Energy: 1.400887348581467
Energy: 1.6546677601270396
Energy: 1.5195847578277142
Energy: 1.3902932833235908
Energy: 1.394460449629583
Energy: 1.5215649319506144
Energy: 1.8819235371305951
Energy: 1.6550273540197655
Energy: 1.4681824725712835
Energy: 1.9056538733672381
Energy: 1.4940446714005742
Energy: 1.9041233050340611
Energy: 1.6248043381110033
Energy: 1.6116208253528754
Energy: 1.6125051985692267
Energy: 1.6117247629121574
Energy: 1.6184499986618954
Energy: 1.6119734491011637
Energy: 1.6190363677324482
Energy: 1.3775911552519833
Energy: 1.403349375427124
Energy: 1.9045000454538394
Energy: 1.4941774716380098
Energy: 1.766212277551567
Energy: 1.624400557711408

minimum gb energy = 1.3761745306421385 eV
minimum distance =  2.24812765921088 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.6274297507983304
Energy: 1.4622034041229566
Energy: 1.6154971161966223
Energy: 1.6083226060804579
Energy: 1.5512840670925288
Energy: 2.251512510749142
Energy: 1.8455566174276805
Energy: 1.6539810548371356
Energy: 1.6562590221110212
Energy: 1.6810411499963527
Energy: 1.6560175458124466
Energy: 1.6580309840877736
Energy: 1.487468765300948
Energy: 1.5073149893063875
Energy: 1.732339390794278
Energy: 1.7402951199440668
Energy: 1.65173534626437
Energy: 1.5362498373721905
Energy: 1.4926363729277097
Energy: 1.5313263020273473
Energy: 1.6261484337351189
Energy: 1.460033475517124
Energy: 1.7094797850139751
Energy: 1.5311086326973915
Energy: 1.4796594001729417
Energy: 1.6642465771294066
Energy: 1.5355653898514665
Energy: 1.481456416629347
Energy: 1.5926898669214231
Energy: 1.6605194205674074
Energy: 1.4605824452448086
Energy: 1.6531044157911632
Energy: 1.6503768167360555
Energy: 1.4796057833891598
Energy: 1.6514113450608137
Energy: 1.5616037551984538
Energy: 1.6784086022096774
Energy: 1.7077586270894718
Energy: 1.5309365607686456
Energy: 1.494504351595642
Energy: 1.530470717569725
Energy: 1.6564376994857677
Energy: 1.6785966508487982
Energy: 1.6552559455848044
Energy: 1.4535900695853847
Energy: 1.5212852948324647
Energy: 1.5794411663074694
Energy: 1.8050749582072727
Energy: 1.6713693815153299
Energy: 1.6558665923873992
Energy: 1.6558502048089752
Energy: 1.6665270132690106
Energy: 1.6487488428286845
Energy: 1.6541028136474671
Energy: 1.6492976890401956
Energy: 1.7276734094783022
Energy: 1.6503349858756584
Energy: 1.6656704087901053
Energy: 1.6547903458222035
Energy: 1.693660007886983
Energy: 1.8533652058787748
Energy: 2.017111448753472
Energy: 1.5254189410182217
Energy: 1.5216416913528101
Energy: 1.57943137527279
Energy: 1.7897125859700154
Energy: 1.8521436614011864
Energy: 1.7786995585181884
Energy: 1.4960697228410471
Energy: 1.495864670114136
Energy: 1.5808870967188278
Energy: 1.7961802294609448
Energy: 1.4861641975870739
Energy: 1.5348515440967294
Energy: 1.650738303535437
Energy: 1.4949088787381872
Energy: 1.6426837121076412
Energy: 1.5348901592788247
Energy: 1.4950673306288742
Energy: 1.530794057972504
Energy: 1.6292707865320728
Energy: 1.4950328252069476
Energy: 1.5921079481299976
Energy: 1.5383411650571273
Energy: 1.4800140840981617
Energy: 1.6621300945873576
Energy: 1.534329561565411
Energy: 1.4607605373021955
Energy: 1.6528765329864403
Energy: 1.6602158717392683
Energy: 1.480241260997615
Energy: 1.652930980583199
Energy: 1.6487052245242626
Energy: 1.6535173704385684
Energy: 1.652515897158451
Energy: 1.72763991253629
Energy: 1.6809968137094804
Energy: 1.7082892187578333
Energy: 1.5307786603203457
Energy: 1.4902501010958964
Energy: 1.5311092953362015
Energy: 1.817589938399093
Energy: 1.6787924367967513
Energy: 2.006450577859887
Energy: 1.5781964807350028
Energy: 1.523852758247865
Energy: 1.5069690439137309
Energy: 2.003608393605118
Energy: 1.6715547905087593
Energy: 1.6535879474811996
Energy: 1.6554404749620297
Energy: 1.5581358672384642
Energy: 1.7768725799842913
Energy: 1.6565264155899082
Energy: 1.6803302872065824
Energy: 1.7144011379798882
Energy: 1.6752835338131729
Energy: 2.025519796736011
Energy: 1.6497440715320482
Energy: 1.7145136035750657
Energy: 1.8505120920874658
Energy: 1.6565991257084043
Energy: 1.5621826021728211
Energy: 1.5214016865083013
Energy: 1.6547214391758902
Energy: 1.6536802216685227

minimum gb energy = 1.4535900695853847 eV
minimum distance =  2.23777256306391 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.8355754228159196
Energy: 1.538292035009156
Energy: 1.579081624716682
Energy: 1.5788015535344297
Energy: 1.5788578519875498
Energy: 1.9660072502732864
Energy: 1.754338182154452
Energy: 1.874447259821669
Energy: 1.5871644632733175
Energy: 1.648182145533627
Energy: 1.956386842838032
Energy: 1.506567107362692
Energy: 1.5477407168286268
Energy: 1.5238889940745997
Energy: 1.898888679299625
Energy: 1.8975938907149423
Energy: 1.709691052647156
Energy: 1.4947165825447442
Energy: 1.5205686806948837
Energy: 1.5186618878036375
Energy: 1.8254100697315978
Energy: 1.6151887987572786
Energy: 1.7772004965623294
Energy: 1.5187734662499184
Energy: 1.5086496674894467
Energy: 1.7411032344698665
Energy: 1.6217400161245947
Energy: 1.5330899125959168
Energy: 1.591959424196178
Energy: 1.726691339566812
Energy: 1.5316353851440074
Energy: 1.7526256631065622
Energy: 1.5755645869285353
Energy: 1.4941830877481181
Energy: 1.672322879916569
Energy: 1.4737807609870646
Energy: 1.5136937763717164
Energy: 1.7407927380634711
Energy: 1.5803208672448776
Energy: 1.589579864647183
Energy: 1.6263403944954136
Energy: 1.4918891250655808
Energy: 1.5139781581851337
Energy: 1.7704236410788274
Energy: 1.495042590377046
Energy: 1.4889172279285596
Energy: 1.7588557704124255
Energy: 1.6665611810372947
Energy: 1.5047418786478959
Energy: 1.5175392896953874
Energy: 1.8302064126687079
Energy: 1.730541347667145
Energy: 1.6638328718802302
Energy: 1.520335268506354
Energy: 1.478567305239985
Energy: 1.5593995421405313
Energy: 1.6700798218275357
Energy: 1.7307678043798131
Energy: 1.6901051458702714
Energy: 1.5273179451699341
Energy: 1.7720773799230396
Energy: 1.6492010840004663
Energy: 1.491826900051999
Energy: 1.7285186400979995
Energy: 1.5913612589509039
Energy: 1.677685136896207
Energy: 1.721821490701132
Energy: 1.8172825920057745
Energy: 1.4551321551742311
Energy: 1.6274939917414533
Energy: 1.4732707575664166
Energy: 1.809101269878142
Energy: 1.4786976773492246
Energy: 1.4930212216127903
Energy: 1.8693120486807233
Energy: 1.508855793540259
Energy: 1.448182557169908
Energy: 1.5323256348284975
Energy: 1.4992312952617977
Energy: 1.4903032213108367
Energy: 1.8187854664318195
Energy: 1.8349854268681078
Energy: 1.8120000844883573
Energy: 1.4912964779813174
Energy: 1.603470579629732
Energy: 1.8480264765886119
Energy: 1.558020470882527
Energy: 1.586909868905205
Energy: 1.5430916431564228
Energy: 1.9161446340525166
Energy: 1.580132493415491
Energy: 1.7490853594580982
Energy: 1.4785556491131315
Energy: 1.478331886345103
Energy: 1.4790085633305154
Energy: 1.479312961380666
Energy: 1.4665557706507373
Energy: 1.6164862019348738
Energy: 1.7781232914658553
Energy: 1.4887846440273396
Energy: 1.7468551188065204
Energy: 1.4801950531106685
Energy: 1.4846148768932195
Energy: 1.5930571161491178
Energy: 1.790256751515627
Energy: 1.5913921691982889
Energy: 1.6666088827230179
Energy: 1.5902338516442156
Energy: 1.4951286190693822
Energy: 1.5802486359785528
Energy: 1.5939593919995514
Energy: 1.5216900596415135
Energy: 1.7619144849627975
Energy: 1.5817872560833892
Energy: 1.4846813207219276
Energy: 1.790108770018693
Energy: 1.7347156172718143
Energy: 1.5223169283688414
Energy: 1.7498738783544698
Energy: 1.4821818959408368
Energy: 1.7093760853860134
Energy: 1.776823351688777
Energy: 1.5246027673586304
Energy: 1.5252253543808771
Energy: 1.5164791700514648
Energy: 1.6714156168386591
Energy: 1.5412015878286
Energy: 2.0421977765051134
Energy: 1.5360348118896094
Energy: 1.5270640090994128
Energy: 1.6763140155016443
Energy: 2.042119745799749
Energy: 1.664561624182588
Energy: 1.5157825442998678
Energy: 1.7328403154040222
Energy: 1.7258310492762803
Energy: 1.7066214631094847
Energy: 1.5240313758679107
Energy: 1.6846438645654236
Energy: 1.6524483030631931
Energy: 1.7453992080572718
Energy: 1.772416943437639
Energy: 1.6508233031659265
Energy: 1.6485900634091324
Energy: 1.751653887005988
Energy: 1.9598948102953906
Energy: 1.6291241829428929
Energy: 1.586827103868077
Energy: 1.5502441645262555
Energy: 1.7808681606426502

minimum gb energy = 1.448182557169908 eV
minimum distance =  2.22044119894762 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.8966307664276991
Energy: 1.50542292672265
Energy: 1.5093409558096436
Energy: 1.5243582117206014
Energy: 1.5087008515068343
Energy: 1.524484919422294
Energy: 1.5396371231298933
Energy: 1.650356179767722
Energy: 1.5010180655081815
Energy: 1.563933644803063
Energy: 1.6491253340033492
Energy: 1.4535829602475727
Energy: 1.545563462330328
Energy: 1.5094070317597468
Energy: 1.8840322829121903
Energy: 1.8814063516659543
Energy: 1.510734731917428
Energy: 1.4533392335467037
Energy: 1.505801717676741
Energy: 1.4866398103746965
Energy: 1.7839461896602689
Energy: 1.5248437344449346
Energy: 1.7894283648721507
Energy: 1.5054572242682247
Energy: 1.458175442533332
Energy: 1.7278686793102216
Energy: 1.5145836008850662
Energy: 1.4479147439733948
Energy: 1.5166481607649906
Energy: 1.7442618801922427
Energy: 1.4964317966870215
Energy: 1.7404579708933081
Energy: 1.5131246653636237
Energy: 1.4341089393530986
Energy: 1.6888473500100918
Energy: 1.4231579887399786
Energy: 1.439833556041921
Energy: 1.5981991867242824
Energy: 1.5916463775014187
Energy: 1.591771858715714
Energy: 1.6130525070954442
Energy: 1.617100555915807
Energy: 1.4479709037900934
Energy: 1.6534356169750637
Energy: 1.6859045369530872
Energy: 1.418614155867076
Energy: 1.7159453686888
Energy: 1.5887426516139564
Energy: 1.4711579820156648
Energy: 1.5218928323523933
Energy: 1.819300922197727
Energy: 1.4723902043696608
Energy: 1.6130626555010577
Energy: 1.505670685585912
Energy: 1.5467960383901571
Energy: 1.4429516355150405
Energy: 1.7804555065700705
Energy: 1.4723105123696307
Energy: 1.7804610100772704
Energy: 1.4425035694824013
Energy: 1.50608960221596
Energy: 1.4535103451321707
Energy: 1.4613809742466946
Energy: 1.4608871524116516
Energy: 1.460983745157264
Energy: 1.5362770396955967
Energy: 1.694281309540681
Energy: 1.6522029105088762
Energy: 1.534390317459297
Energy: 1.4379782627162156
Energy: 1.4966030710142042
Energy: 1.852952243070662
Energy: 1.726561577497734
Energy: 1.4715435579884157
Energy: 1.9939872683092004
Energy: 1.6733054961940257
Energy: 1.5532412453722382
Energy: 1.5306328246819962
Energy: 1.736610360919143
Energy: 1.444768701809374
Energy: 1.8363450919000217
Energy: 1.6540691321906713
Energy: 1.8353171993727093
Energy: 1.4450928036340374
Energy: 1.3973490063002227
Energy: 1.4027843492149141
Energy: 1.4265119894428282
Energy: 1.4376611386422824
Energy: 1.4367700162855577
Energy: 1.415461957789795
Energy: 1.763534347699169
Energy: 1.8349789298872274
Energy: 1.4481681608683694
Energy: 1.4396346252594534
Energy: 1.4050816997742384
Energy: 1.8040182714695934
Energy: 1.5940953082170213
Energy: 1.506953444131758
Energy: 1.813615640870019
Energy: 1.4928366856835675
Energy: 1.8238061781719357
Energy: 1.5072517377156558
Energy: 1.5246854755232495
Energy: 1.5357677875239153
Energy: 1.5741807204148446
Energy: 1.4778924836625735
Energy: 1.7562602033008738
Energy: 1.5359561077120945
Energy: 1.4559047130010523
Energy: 1.7014789559099266
Energy: 1.538441070531036
Energy: 1.4239235800264596
Energy: 1.5363868872993296
Energy: 1.7746016732321785
Energy: 1.5362693506403555
Energy: 1.7748629277900982
Energy: 1.5223689712695512
Energy: 1.4310466449294743
Energy: 1.5212965787533026
Energy: 1.4185154775665332
Energy: 1.4827745644475658
Energy: 1.7192409105447086
Energy: 1.6016474446088067
Energy: 1.4299262069431284
Energy: 1.6022923800356497
Energy: 1.6541838834805334
Energy: 1.4398470676880264
Energy: 1.5966950888430615
Energy: 1.6767511185885746
Energy: 1.4304860510629231
Energy: 1.6834553945039292
Energy: 1.5958984569497547
Energy: 1.4482615129049852
Energy: 1.510409318828505
Energy: 1.7462421297426152
Energy: 1.4812099898106066
Energy: 1.7184419324525548
Energy: 1.5088367460863088
Energy: 1.4983935554850687
Energy: 1.7265758076462507
Energy: 1.7278292015064387
Energy: 1.4814696843153128
Energy: 1.7274322166847544
Energy: 1.5967084268952747
Energy: 1.6705890873456306
Energy: 1.4503168655275498
Energy: 1.449007504000877
Energy: 1.4489682174560539
Energy: 1.449109508688191
Energy: 1.6906236343063439
Energy: 1.51186117178902
Energy: 1.6391566359219667
Energy: 1.449391002921019
Energy: 1.4400945905560054
Energy: 1.6315709546951151
Energy: 1.6817097091605562
Energy: 1.676547186456324
Energy: 1.449490680617522
Energy: 1.7260288258039471
Energy: 1.6407434890982455
Energy: 1.6439534401556875
Energy: 1.4507244784825255
Energy: 1.67084604395336
Energy: 1.4889830059510762
Energy: 1.7069984267892877
Energy: 1.6731579656256692
Energy: 1.4535072420264619
Energy: 1.447603801795854
Energy: 1.5909907665079146
Energy: 1.6266787673091208
Energy: 1.4976324043150158
Energy: 1.512910310646226
Energy: 1.4976814371700116
Energy: 1.934919618871273

minimum gb energy = 1.3973490063002227 eV
minimum distance =  2.21409375048576 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.7293711793241642
Energy: 1.3667351332684894
Energy: 1.4083517032102533
Energy: 1.5004445820221004
Energy: 1.4094594620911458
Energy: 1.8490498970664944
Energy: 1.6994934058381
Energy: 1.5928246420418641
Energy: 1.3861361670332621
Energy: 1.5323880767523943
Energy: 1.5945680105539695
Energy: 1.5399144036912664
Energy: 1.4377474017210987
Energy: 1.3952352336007232
Energy: 1.783394904070721
Energy: 1.783744462834947
Energy: 1.3909403050728244
Energy: 1.3943652239610749
Energy: 1.3846121192087495
Energy: 1.3938671707258845
Energy: 1.6402590632090106
Energy: 1.5417584831707305
Energy: 1.7670741747545733
Energy: 1.3955503636913311
Energy: 1.3973537164741727
Energy: 1.5576692793102567
Energy: 1.4495216088059792
Energy: 1.3753715777524902
Energy: 1.4509391335953095
Energy: 1.6302263971085924
Energy: 1.3871609005176986
Energy: 1.3521690799087962
Energy: 1.3753775562489228
Energy: 1.3745975509580768
Energy: 1.4496406856632251
Energy: 1.3518820328219598
Energy: 1.3520206449907637
Energy: 1.499926439154771
Energy: 1.5784215842182867
Energy: 1.578468631227686
Energy: 1.580685462810109
Energy: 1.545454576849474
Energy: 1.3471064957676568
Energy: 1.603303263777379
Energy: 1.3430910033192485
Energy: 1.3420922767241752
Energy: 1.6525299839967276
Energy: 1.444661851929459
Energy: 1.4620901639638761
Energy: 1.5000806659079444
Energy: 1.6590201654370758
Energy: 1.3761150389409933
Energy: 1.5525013635376408
Energy: 1.4999796609423983
Energy: 1.3617653982355191
Energy: 1.3429937538039531
Energy: 1.6064539803317464
Energy: 1.374878709534331
Energy: 1.6379256791145909
Energy: 1.3595529642997712
Energy: 1.4304085331984233
Energy: 1.4493999475697568
Energy: 1.4490101444444299
Energy: 1.4466724090465768
Energy: 1.4501333438135784
Energy: 1.782351722140213
Energy: 1.3895280310469003
Energy: 1.767625393342929
Energy: 1.6418217411921616
Energy: 1.4499740935488008
Energy: 1.642613024887438
Energy: 1.3864855276972183
Energy: 1.4800050876603779
Energy: 1.3907406938193048
Energy: 1.3906929100352152
Energy: 1.4683337435757668
Energy: 1.4499578373400237
Energy: 1.393964170117393
Energy: 1.4382595335866746
Energy: 1.6269894980371786
Energy: 1.8690607104416215
Energy: 1.4683097270647103
Energy: 1.5945407493389037
Energy: 1.5549486597006164
Energy: 1.531291233390686
Energy: 1.508635010675305
Energy: 1.3854020550324784
Energy: 1.5398114582993034
Energy: 1.3859323080434764
Energy: 1.6106965075119968
Energy: 1.5301509023534556
Energy: 1.5946958924897532
Energy: 1.5371342052986088
Energy: 1.5351176436630458
Energy: 1.3907627371181779
Energy: 1.5396175862401875
Energy: 1.5606455423147383
Energy: 1.3808893237974726
Energy: 1.3625444386140326
Energy: 1.5369779915898474
Energy: 1.3898880800549995
Energy: 1.380607224196274
Energy: 1.5329394588649248
Energy: 1.5414443214177713
Energy: 1.5946260952838585
Energy: 1.70052024918694
Energy: 1.5951914083277499
Energy: 1.3860276193463363
Energy: 1.3611377583758584
Energy: 1.5942157735102744
Energy: 1.3893386217287236
Energy: 1.438632864339127
Energy: 1.3894327184882396
Energy: 1.7844154359354196
Energy: 1.4499578997198155
Energy: 1.7659262295165112
Energy: 1.395109629328814
Energy: 1.399383523630989
Energy: 1.396466210419341
Energy: 1.6410714715906876
Energy: 1.374573091692692
Energy: 1.6398229151101338
Energy: 1.7096611217172746
Energy: 1.6752651492638468
Energy: 1.6757745914424937
Energy: 1.526473141667996
Energy: 1.373680965719671
Energy: 1.4496175050038407
Energy: 1.5289824543647434
Energy: 1.3881379585925187
Energy: 1.4494347103632153
Energy: 1.445733290076648
Energy: 1.3745096179410723
Energy: 1.5781899949958047
Energy: 1.5951446731519463
Energy: 1.347705713702293
Energy: 1.5959304084453858
Energy: 1.5782573356233178
Energy: 1.3750832308917778
Energy: 1.6551152093863868
Energy: 1.4471902813239386
Energy: 1.350537498282968
Energy: 1.5007057265002597
Energy: 1.488163505902374
Energy: 1.374548891486263
Energy: 1.6592433215514653
Energy: 1.4999450451599545
Energy: 1.4971616703655362
Energy: 1.4999950508035096
Energy: 1.4867904924038111
Energy: 1.3751645084250572
Energy: 1.576025465516921
Energy: 1.3475310679063244
Energy: 1.3524380663963302
Energy: 1.6176006471446336
Energy: 1.605239398091067
Energy: 1.3839784302845155
Energy: 1.4488202529808485
Energy: 1.7243770636920475
Energy: 1.4695599574771676
Energy: 1.4500776994789015
Energy: 1.4517018415797047
Energy: 1.4347617859074178
Energy: 1.3832875137385634
Energy: 1.7120065118451766
Energy: 1.384864895394302
Energy: 1.7116812652977935
Energy: 1.3838522719009057
Energy: 1.46795207113156
Energy: 1.396585732555193
Energy: 1.3939277776322436
Energy: 1.479353085940575
Energy: 1.3908288524462227
Energy: 1.7703775878890458
Energy: 1.4679295378825779
Energy: 1.5946772954733932
Energy: 1.5556610399360224
Energy: 1.4003186628442772
Energy: 1.3944645816834562
Energy: 1.5947467527700026
Energy: 1.5390024633162909
Energy: 1.3865266932726437
Energy: 1.5942879120181563
Energy: 1.5931979991419774
Energy: 1.5951335025149262
Energy: 1.5350550507628078
Energy: 1.5406401445622717
Energy: 1.3802132709316688
Energy: 1.5951761436739107
Energy: 1.5302594698066516
Energy: 1.386710781218297
Energy: 1.4386249539439981
Energy: 1.5368882000547248
Energy: 1.5950749916538138
Energy: 1.3814937810403707
Energy: 1.535388524330016
Energy: 1.3903259829198271
Energy: 1.3621717557791795

minimum gb energy = 1.3420922767241752 eV
minimum distance =  2.27380048783535 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015159623335642636
Energy: 0.015966594990163757
Energy: 0.07512041688710963
Energy: 0.07501352965189573
Energy: 0.0761160227880764
Energy: 0.015742354593273257
Energy: 0.015435960568714865
Energy: 0.10611483377004312
Energy: 0.10725678650980523
Energy: 0.10722779130277793
Energy: 0.4550765789544844
Energy: 0.10718428375512043
Energy: 1.089352710191427
Energy: 0.07771749374618997
Energy: 0.01583483173236915
Energy: 0.016909946926753443
Energy: 0.07558927795593579
Energy: 0.07504869220003728
Energy: 0.1063332098479074
Energy: 0.10611483377004312
Energy: 0.10725678650980523
Energy: 0.10722779130277793
Energy: 0.4550765789551931
Energy: 0.10718428375512043

minimum gb energy = 0.015159623335642636 eV
minimum distance =  2.45022485199792 Angstroms
sigma value = 1