Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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=2.865952417254448
cohesive_energy=4.290335459264325
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=[5.231026601178299e-21, 4.2665002457439595e-20, 1.223667210747402e-19, 2.10836831974596e-19, 2.8695784603257e-19, 3.5040243856233597e-19, 4.0488445500150593e-19, 4.52688599230164e-19, 4.9464800309799e-19, 5.31006197453352e-19, 5.61989089201644e-19, 5.88003631207902e-19, 6.095913591744179e-19, 6.27337067572602e-19, 6.41795109517818e-19, 6.534637619432399e-19, 6.6277240818678e-19, 6.700991619340619e-19, 6.757756737483239e-19, 6.80104755013392e-19, 6.833411518140719e-19, 6.855906078082079e-19, 6.86905994824722e-19, 6.87333775986e-19, 6.86873951292042e-19, 6.853951422588599e-19, 6.827227116333479e-19, 6.78646774276452e-19, 6.72917390633268e-19, 6.652237384368e-19, 6.551893061780579e-19, 6.42351064809816e-19, 6.261274242139319e-19, 6.0579259837520395e-19, 5.804381531421539e-19, 5.4892173657474e-19, 5.0979658317246e-19, 4.61233007219286e-19, 4.0087100253333596e-19, 3.25576711618506e-19, 2.3101144014992395e-19, 1.1082992778629638e-19, -4.4576078746474803e-20, -2.4976972418079596e-19, -5.26172430548574e-19, -9.046818538011719e-19, -1.43019098322327e-18, -2.1711576220324198e-18, -3.2439270308598e-18, -4.8720909698632796e-18]
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: 0.01316395720551296
Energy: 0.013508938362362954
Energy: 0.21689647877532978
Energy: 0.21696076926532193
Energy: 0.21684458588231456
Energy: 0.013271032622258852
Energy: 0.013508938362861912
Energy: 1.0848134646135783
Energy: 0.21686387183007205
Energy: 0.21688612476571312
Energy: 0.21699045680619103
Energy: 0.2168512013716786
Energy: 0.21689647877532978
Energy: 0.21686387183007205
Energy: 1.0862513238276832
Energy: 0.013413445560062333
Energy: 0.21686103305856744
Energy: 0.21727729475537527
Energy: 0.21696076926579316
Energy: 0.21688612476618435
Energy: 0.013413445560062333
Energy: 0.013300094643668556
Energy: 0.21710053770345147
Energy: 0.2168496016525399
Energy: 0.21684458588231456
Energy: 0.21699045680619103
Energy: 0.2168610330580962
Energy: 0.21710053770151103
Energy: 1.0841016140185349
Energy: 0.21690314628292087
Energy: 0.013271032621260932
Energy: 0.21685120137361896
Energy: 0.21727729475537527
Energy: 0.2168496016535101
Energy: 0.21690314628292087
Energy: 0.013268930039791642

minimum gb energy = 0.01316395720551296 eV
minimum distance =  2.48120053132449 Angstroms
sigma value = 1


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

Energy: 1.9720070935982632
Energy: 1.3888343942738846
Energy: 1.3360101411068206
Energy: 1.334732651643986
Energy: 1.333966137543679
Energy: 1.389264576345548
Energy: 1.2143916922278684
Energy: 1.4093492822789628
Energy: 1.318749325061665
Energy: 1.3218725110082434
Energy: 1.318617666880883
Energy: 1.3385414911777864
Energy: 1.2327671815084933
Energy: 1.3175844695837293
Energy: 1.409866690251613
Energy: 1.2560293860753105
Energy: 1.3183878422889392
Energy: 1.3176573948200934
Energy: 1.3117335812856723
Energy: 1.3110571599556546
Energy: 1.3991091598080272
Energy: 1.4380580961280087
Energy: 1.310981691466041
Energy: 1.3131707766037546
Energy: 1.2581847737439136
Energy: 1.317529249169298
Energy: 1.3183981420222626
Energy: 1.3210055903305358
Energy: 1.4164250921097248
Energy: 1.313390475700677
Energy: 1.2577267811735302
Energy: 1.3979195741766368
Energy: 1.3979080059056477
Energy: 1.3196396099669858
Energy: 1.3990253300541071
Energy: 1.3982187253120955
Energy: 1.2577013089600149
Energy: 1.3971541773345868
Energy: 1.3976180040903023
Energy: 1.4386763814469563
Energy: 1.3979446703135459
Energy: 1.3973473515839583
Energy: 1.2585696571873775
Energy: 1.2571047237850816
Energy: 1.2305437792339164
Energy: 1.2329902003081503
Energy: 1.3531389452171372
Energy: 1.2568516223241508
Energy: 1.2139581428658306
Energy: 1.400514058376148
Energy: 1.4013600175015175
Energy: 1.3189388975688632
Energy: 1.4011502196246615
Energy: 1.3532245674778074
Energy: 1.219398224477849
Energy: 1.3976775745657402
Energy: 1.39851568823049
Energy: 1.320694530767218
Energy: 1.3982890235465293
Energy: 1.39868914557018
Energy: 1.2571393759898195
Energy: 1.2574427999048146
Energy: 1.3171027932971187
Energy: 1.2315366014969433
Energy: 1.3212737150152145
Energy: 1.257815304893067
Energy: 1.313420956851187
Energy: 1.311440424011502
Energy: 1.3819780430255744
Energy: 1.2163882387692362
Energy: 1.3114957096132878
Energy: 1.3134181355538197
Energy: 1.3197406705258419
Energy: 1.3114762977076702
Energy: 1.3819227448098876
Energy: 1.215948894096043
Energy: 1.3117276993421498
Energy: 1.3193969664962288
Energy: 1.3195918760728373
Energy: 1.318548678086061
Energy: 1.3176998576341656
Energy: 1.2322344319267622
Energy: 1.3171551874128107
Energy: 1.3175776454762247
Energy: 1.2557122300381962
Energy: 1.311040206521042
Energy: 1.3109406042561598
Energy: 1.320181514067121
Energy: 1.3106659588067582
Energy: 1.3988807983145655
Energy: 1.2552380632498692
Energy: 1.3179860793728246
Energy: 1.3168079048855508
Energy: 1.3143290573845166
Energy: 1.316707164199539
Energy: 1.3385136438685812
Energy: 1.3196199669722608
Energy: 1.3178541897067495
Energy: 1.2574785899375782
Energy: 1.257027779591492
Energy: 1.3983000493060527
Energy: 1.3171263688064145
Energy: 1.3186121464768432
Energy: 1.4010510213329952
Energy: 1.399224166885741
Energy: 1.3987347161868677
Energy: 1.4000636866804639
Energy: 1.4425648867056051
Energy: 1.3185908898929952
Energy: 1.3985514977910494
Energy: 1.3431068766649585
Energy: 1.2571964517455905
Energy: 1.4001031557452783
Energy: 1.4447649882675582
Energy: 1.2305694645431509
Energy: 1.3986637359206338
Energy: 1.2569243360963798
Energy: 1.2572364428012908
Energy: 1.3975759694029009
Energy: 1.313206519069296
Energy: 1.3196501371194178
Energy: 1.3987843223137182
Energy: 1.3985790902168636
Energy: 1.3989475750233558
Energy: 1.3984751111754978
Energy: 1.3975589370109043
Energy: 1.2321181585547967
Energy: 1.4013567081857572
Energy: 1.4012288582975887
Energy: 1.2169183335316431
Energy: 1.4008806578605817
Energy: 1.317503833573692
Energy: 1.2141604336250107
Energy: 1.409856589935205
Energy: 1.314178777011112
Energy: 1.3137439208230204
Energy: 1.3178258523442297
Energy: 1.3390005115828536

minimum gb energy = 1.2139581428658306 eV
minimum distance =  2.23469767493264 Angstroms
sigma value = 33


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

Energy: 2.519951924051608
Energy: 1.400758272308872
Energy: 1.368672728113189
Energy: 1.351811030661603
Energy: 1.3687804626803417
Energy: 1.4817261696920405
Energy: 1.5682133205673003
Energy: 1.4338192665540956
Energy: 1.3380844230182394
Energy: 1.3441650604722384
Energy: 1.3380473847228533
Energy: 1.4343200096802775
Energy: 1.4429298367878827
Energy: 1.434163065772688
Energy: 1.434799276295463
Energy: 1.3556355267267148
Energy: 1.4346251328851738
Energy: 1.4362642113054005
Energy: 1.4450701773461634
Energy: 1.4340468206220434
Energy: 1.434242139332028
Energy: 1.4628456683172117
Energy: 1.4336384093338832
Energy: 1.4354611977211758
Energy: 1.480025569462131
Energy: 1.4438385209113462
Energy: 1.4242920792442082
Energy: 1.5078183579083593
Energy: 1.47325829911098
Energy: 1.4360669791533414
Energy: 1.3432954861295194
Energy: 1.481280779784951
Energy: 1.4811960940425866
Energy: 1.3441849880769814
Energy: 1.4834109815904253
Energy: 1.4810285160626715
Energy: 1.3439322388771289
Energy: 1.481772547103497
Energy: 1.4813063233434396
Energy: 1.5885641664869634
Energy: 1.4820805596761153
Energy: 1.481898242296837
Energy: 1.3440971077254276
Energy: 1.337430123330777
Energy: 1.3431844800282555
Energy: 1.3433310317251315
Energy: 1.4833947370612917
Energy: 1.3368936109297136
Energy: 1.4025821384163235
Energy: 1.434823487157256
Energy: 1.4427135679898262
Energy: 1.4467768498301183
Energy: 1.4343378944126153
Energy: 1.5058228432690866
Energy: 1.373210600043631
Energy: 1.4336572959573985
Energy: 1.4668386528939263
Energy: 1.471669038079133
Energy: 1.4336099473679318
Energy: 1.4677588231934173
Energy: 1.3434135747139493
Energy: 1.423799075594763
Energy: 1.44349756550651
Energy: 1.4435300169469947
Energy: 1.4437565808121626
Energy: 1.3458028057635167
Energy: 1.3435759419494886
Energy: 1.3366414217246276
Energy: 1.33795846411189
Energy: 1.3165879468918138
Energy: 1.3368045442615966
Energy: 1.336952545439034
Energy: 1.3182173377414077
Energy: 1.3366723983519975
Energy: 1.3381354555396234
Energy: 1.3077725058493341
Energy: 1.3369943662053312
Energy: 1.3366742891806431
Energy: 1.3097366804094634
Energy: 1.358649025079392
Energy: 1.443387190810887
Energy: 1.4427818244205353
Energy: 1.443758550601354
Energy: 1.3098957168848222
Energy: 1.3430491019267117
Energy: 1.4745066267204925
Energy: 1.5145528339481311
Energy: 1.471814189569551
Energy: 1.47660294336317
Energy: 1.4744741746606633
Energy: 1.3564404451720222
Energy: 1.475966112203342
Energy: 1.4999605704101697
Energy: 1.4724284952525595
Energy: 1.4763477585587086
Energy: 1.542876693159461
Energy: 1.3586955757696113
Energy: 1.309161082761255
Energy: 1.4439320058122862
Energy: 1.4472947426529645
Energy: 1.4750818153544525
Energy: 1.309164528226638
Energy: 1.2729470866011452
Energy: 1.4743052999178816
Energy: 1.4744734990947912
Energy: 1.575866128613852
Energy: 1.4753038388397999
Energy: 1.4771655579245604
Energy: 1.2712759396901256
Energy: 1.4748212071591913
Energy: 1.475173065504938
Energy: 1.471823464940028
Energy: 1.4764379375123553
Energy: 1.4750291700567002
Energy: 1.320395297460596
Energy: 1.3380957594468799
Energy: 1.4338087828005874
Energy: 1.4951014798950732
Energy: 1.64029073398407
Energy: 1.3211016383714254
Energy: 1.3210318758726902
Energy: 1.3369718423592098
Energy: 1.3929635431147875
Energy: 1.3621676233633109
Energy: 1.3376145519805154
Energy: 1.3192244435222653
Energy: 1.3438393615406727
Energy: 1.3373842585250342
Energy: 1.6437688206976604
Energy: 1.353139870384185
Energy: 1.337232122067902
Energy: 1.3373859430673944
Energy: 1.505789652477948
Energy: 1.6513133387520607
Energy: 1.434577157504767
Energy: 1.4436867908592341
Energy: 1.4430337242188238
Energy: 1.4222215045682196
Energy: 1.3081321254335352
Energy: 1.435920746721085
Energy: 1.4337074053187036
Energy: 1.447292958162576
Energy: 1.4352983340639665
Energy: 1.4786955712463326
Energy: 1.5061012192065986
Energy: 1.4880506734403791
Energy: 1.4359160346913986
Energy: 1.447295128913799
Energy: 1.4420230711118058
Energy: 1.4223114591638486
Energy: 1.3432714063389717
Energy: 1.4820364940319506
Energy: 1.480870169428236
Energy: 1.3436834848188528
Energy: 1.4812234318023683
Energy: 1.3430165412532125
Energy: 1.4116875272520888
Energy: 1.480764736848814
Energy: 1.4807429207753944
Energy: 1.4570983948312701
Energy: 1.4809743045510448
Energy: 1.481950989803591
Energy: 1.3433281763089626
Energy: 1.4810944079869146
Energy: 1.3373060176366571
Energy: 1.3435509964760768
Energy: 1.4814689881458807
Energy: 1.3431094614599735
Energy: 1.4471842546560596
Energy: 1.4438591598573915
Energy: 1.5039741256886165
Energy: 1.439449301408107
Energy: 1.4345325192644285
Energy: 1.4422216227466398
Energy: 1.4713286765345386
Energy: 1.4422427582249955
Energy: 1.4684702341478004
Energy: 1.4819777750393108
Energy: 1.4358237794491715
Energy: 1.4518457890673924
Energy: 1.4424803262519803
Energy: 1.4425966047512293
Energy: 1.4220930809027816
Energy: 1.3442579532849237
Energy: 1.4435152171218444
Energy: 1.468564503008802
Energy: 1.4401390371108747
Energy: 1.3381963796361154
Energy: 1.33668221737927
Energy: 1.3445401083736859
Energy: 1.3367105041807255
Energy: 1.700413315816416
Energy: 1.418237170184848
Energy: 1.3377815097659091
Energy: 1.3365699625437528
Energy: 1.3186711925835914
Energy: 1.3364925803280145
Energy: 1.4350092535789016
Energy: 1.4943797123033158
Energy: 1.4340560730028573
Energy: 1.319724470131789
Energy: 1.3585405895435114
Energy: 1.3371850472211966
Energy: 1.4345204483040677
Energy: 1.4723211757538324
Energy: 1.4751825497968885
Energy: 1.474377524266788
Energy: 1.3416479026543808
Energy: 1.474201042765547
Energy: 1.4698344550260227
Energy: 1.4694587795320118
Energy: 1.4756026793735264
Energy: 1.4746029260669724
Energy: 1.3202373871887438
Energy: 1.4743230559048472
Energy: 1.4976179416431903
Energy: 1.4419081024117848
Energy: 1.4276504157435361
Energy: 1.3089130730862404
Energy: 1.3096029588154643
Energy: 1.3088963311760031
Energy: 1.4442394613816871
Energy: 1.471325334409622
Energy: 1.4771294932432333
Energy: 1.4751963311483816
Energy: 1.2730397540833995
Energy: 1.4749379116846262
Energy: 1.4964555390862555
Energy: 1.4915219301235683
Energy: 1.4756378383661666
Energy: 1.474375663534946
Energy: 1.2707938335679367
Energy: 1.474278751656896
Energy: 1.5107351431300953
Energy: 1.4966894738491618
Energy: 1.4442005172423715
Energy: 1.32010555797006
Energy: 1.3583741177498914
Energy: 1.3196354344208818
Energy: 1.4545396593452122
Energy: 1.2793071466820414
Energy: 1.3369369065016106
Energy: 1.3372290026041318
Energy: 1.3205035538687016
Energy: 1.3367094664253072
Energy: 1.4720109913274362

minimum gb energy = 1.2707938335679367 eV
minimum distance =  2.23624766338864 Angstroms
sigma value = 51


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

Energy: 2.3560865987657706
Energy: 1.5146703553486427
Energy: 1.4164549583807984
Energy: 1.4559539248021405
Energy: 1.4167412679379774
Energy: 1.5151712938940274
Energy: 1.3035417839597012
Energy: 1.5298918060490976
Energy: 1.4155903402831251
Energy: 1.492623321327332
Energy: 1.4161971370527937
Energy: 1.4194023129437827
Energy: 1.466252782800307
Energy: 1.416158898084724
Energy: 1.5299167937240923
Energy: 1.455047077204953
Energy: 1.4163423394691015
Energy: 1.4161159191124437
Energy: 1.4504725241572547
Energy: 1.4160449417047496
Energy: 1.4156054317123068
Energy: 1.4536678862668504
Energy: 1.4159579785020555
Energy: 1.4165740060276284
Energy: 1.454491806198625
Energy: 1.4283233596680116
Energy: 1.4198370067049186
Energy: 1.454081321216199
Energy: 1.51883982680516
Energy: 1.428421329765714
Energy: 1.4787387082233558
Energy: 1.5224685640618267
Energy: 1.4165341183953881
Energy: 1.4980491085958842
Energy: 1.5225348504743972
Energy: 1.5227712717560347
Energy: 1.479292975594888
Energy: 1.523267187804917
Energy: 1.5242794155248345
Energy: 1.617909173667977
Energy: 1.52585335277031
Energy: 1.5223494482395488
Energy: 1.4829574449547638
Energy: 1.4160392049164996
Energy: 1.4165270294294576
Energy: 1.496894742322279
Energy: 1.5217726811177998
Energy: 1.4158890574363914
Energy: 1.2767304826905221
Energy: 1.4164408066448464
Energy: 1.4163618881333802
Energy: 1.4541076878944403
Energy: 1.4161679436704455
Energy: 1.5059395857524829
Energy: 1.2738001467229534
Energy: 1.4158050741783221
Energy: 1.4162203161637625
Energy: 1.4903280020061012
Energy: 1.4161151686476519
Energy: 1.5043926865782444
Energy: 1.4791623830681848
Energy: 1.4197137059822902
Energy: 1.4279463492303046
Energy: 1.483992855117657
Energy: 1.4199862421211362
Energy: 1.4290472929408469
Energy: 1.465865445552973
Energy: 1.4154652035237996
Energy: 1.415614550517426
Energy: 1.4676804940234298
Energy: 1.4149518592587809
Energy: 1.4153744998633973
Energy: 1.44883116253545
Energy: 1.4155847924780405
Energy: 1.416015584713961
Energy: 1.4677570707720549
Energy: 1.4150460146367003
Energy: 1.4158434322058329
Energy: 1.4549000003464871
Energy: 1.4193945887420711
Energy: 1.4192393157713648
Energy: 1.4539722942508313
Energy: 1.444910753199086
Energy: 1.4283976744628843
Energy: 1.4802690727372092
Energy: 1.5206311070976073
Energy: 1.5210282420694083
Energy: 1.6720109620424812
Energy: 1.5208896286915041
Energy: 1.5207113832578616
Energy: 1.4652390126538257
Energy: 1.5206685024288022
Energy: 1.5209525478282664
Energy: 1.62271836290152
Energy: 1.520589568920031
Energy: 1.415966415085858
Energy: 1.4541103166603118
Energy: 1.4196986747070182
Energy: 1.4195045804985718
Energy: 1.415774152526797
Energy: 1.4200235096150293
Energy: 1.419135931309876
Energy: 1.2734593619556267
Energy: 1.415957083245514
Energy: 1.4153395436899279
Energy: 1.449811746239868
Energy: 1.4161531257436626
Energy: 1.5041253907366334

minimum gb energy = 1.2734593619556267 eV
minimum distance =  2.24764910074506 Angstroms
sigma value = 19


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

Energy: 2.196951830815478
Energy: 1.5353109711602089
Energy: 1.4426467915219858
Energy: 1.52171712923515
Energy: 1.441474961386565
Energy: 1.53564696231441
Energy: 1.3999096461354636
Energy: 1.5885281117709833
Energy: 1.4420533708704164
Energy: 1.4022469845128231
Energy: 1.5003809960247356
Energy: 1.5880430674529915
Energy: 1.4670967401539696
Energy: 1.573470318614227
Energy: 1.5748776675692076
Energy: 1.4030429761226075
Energy: 1.5735078514333667
Energy: 1.6432148552271513
Energy: 1.6508945014195902
Energy: 1.5741011534555396
Energy: 1.5737372263806466
Energy: 1.4883041940046988
Energy: 1.5739758831505037
Energy: 1.5737702228325037
Energy: 1.637528958071981
Energy: 1.5887959372577873
Energy: 1.5374270188654569
Energy: 1.4033268498382847
Energy: 1.594901816267962
Energy: 1.6620750629255454
Energy: 1.6578389897897774
Energy: 1.572676914586198
Energy: 1.5779053249724009
Energy: 1.4034883747017757
Energy: 1.57485981565912
Energy: 1.6142674365857967
Energy: 1.4979905516095149
Energy: 1.5734854904267679
Energy: 1.6259823787726349
Energy: 1.613863899007994
Energy: 1.588140993775513
Energy: 1.6077011832080903
Energy: 1.4990868659880545
Energy: 1.5752201923494304
Energy: 1.5023615663732393
Energy: 1.4022501863538888
Energy: 1.5750972119058329
Energy: 1.6074104168614871
Energy: 1.3969062882320555
Energy: 1.501197543990458
Energy: 1.4413547797759638
Energy: 1.402207474898804
Energy: 1.4412011809491185
Energy: 1.587859262989734
Energy: 1.3382330539333733
Energy: 1.44146382585449
Energy: 1.4421093304562809
Energy: 1.4378529774120543
Energy: 1.441676776364458
Energy: 1.5772515119908106
Energy: 1.4376410134976176
Energy: 1.5879164845402698
Energy: 1.500981587582877
Energy: 1.4717662870333907
Energy: 1.5005198629778214
Energy: 1.575358030191311
Energy: 1.4387128860379197
Energy: 1.620784258266638
Energy: 1.6231342668202888
Energy: 1.498898782601439
Energy: 1.6211853604518054
Energy: 1.6069546353510415
Energy: 1.742588481642026
Energy: 1.6248822683229065
Energy: 1.6223604106819987
Energy: 1.4994776926009972
Energy: 1.6258468286447758
Energy: 1.6908109098218738
Energy: 1.5126096618161637
Energy: 1.6212593011079772
Energy: 1.5739015665402099
Energy: 1.5121446066499369
Energy: 1.5745280773972952
Energy: 1.4388087274257408
Energy: 1.4376628776711526
Energy: 1.4421050876152008
Energy: 1.597183469580313
Energy: 1.4480537957339206
Energy: 1.5002184663673814
Energy: 1.485749735921383
Energy: 1.4015695064016298
Energy: 1.4419273292631867
Energy: 1.5161563646968605
Energy: 1.445673914792966
Energy: 1.4414374005167818
Energy: 1.4619633237284049
Energy: 1.4030156892061534
Energy: 1.5007828325317072
Energy: 1.5877454820759123
Energy: 1.499321511417925
Energy: 1.5880565496150794
Energy: 1.4419593713839876
Energy: 1.5504266752477212
Energy: 1.5727478809372917
Energy: 1.644227541998791
Energy: 1.630027693653377
Energy: 1.572995994752164
Energy: 1.5727512391765086
Energy: 1.5062344337786775
Energy: 1.5729744601129578
Energy: 1.573396489518712
Energy: 1.6433609361936976
Energy: 1.572445282406103
Energy: 1.5745949850041399
Energy: 1.4508880444709602
Energy: 1.537552810410991
Energy: 1.6121909505367087
Energy: 1.5124440623375663
Energy: 1.5891660707555826
Energy: 1.4514132021408042
Energy: 1.448226091992901
Energy: 1.5737248665550505
Energy: 1.5728914511969414
Energy: 1.6443446372969486
Energy: 1.5731620543874933
Energy: 1.5948267348432628
Energy: 1.3413908131275665
Energy: 1.5732866969433117
Energy: 1.6068216207918824
Energy: 1.6311774774920442
Energy: 1.574565653030512
Energy: 1.6151435107495884
Energy: 1.3648289256077317
Energy: 1.500678032715076
Energy: 1.574263945229564
Energy: 1.4997546205482402
Energy: 1.5736087807488741
Energy: 1.5010086500172148
Energy: 1.4014146030240633
Energy: 1.4413467839125427
Energy: 1.5770827583794678
Energy: 1.3968976705844878
Energy: 1.441095762054964
Energy: 1.4413919538867461
Energy: 1.437721027462611
Energy: 1.4413444903065147
Energy: 1.5009314841261183
Energy: 1.3968348404786202
Energy: 1.4419345507893209
Energy: 1.4412539241829223
Energy: 1.4680635596870029
Energy: 1.5000042271700602
Energy: 1.606747718931164
Energy: 1.4986837694178126
Energy: 1.573025637899421
Energy: 1.5166821934939214
Energy: 1.497732023362865
Energy: 1.620794190817443
Energy: 1.6210514536607883
Energy: 1.4993022824810123
Energy: 1.6215547301778768
Energy: 1.6210966460246643
Energy: 1.498411292648895
Energy: 1.6206116938433135
Energy: 1.6247109610169552
Energy: 1.6778965284782408
Energy: 1.6207508791570064
Energy: 1.6075228055279491
Energy: 1.4992315245206185
Energy: 1.5877629418494297
Energy: 1.523599075267515
Energy: 1.500193280041603
Energy: 1.5377880670369326
Energy: 1.5759265088877814
Energy: 1.3364400064805253
Energy: 1.4413992676734146
Energy: 1.4415322345871178
Energy: 1.4383227778552465
Energy: 1.4418371623214308
Energy: 1.5163224255813252

minimum gb energy = 1.3364400064805253 eV
minimum distance =  2.22769312500479 Angstroms
sigma value = 27


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

Energy: 1.8108083051587356
Energy: 1.5714459664274287
Energy: 1.4831710180713422
Energy: 1.355578463576659
Energy: 1.4823525211486146
Energy: 1.57180337063831
Energy: 1.29013487825825
Energy: 1.5704162198815101
Energy: 1.5260835250037312
Energy: 1.306372448338927
Energy: 1.4781057785654497
Energy: 1.485374295637532
Energy: 1.30763394233146
Energy: 1.47978969371758
Energy: 1.4790173764196692
Energy: 1.3070650167969802
Energy: 1.480507500873716
Energy: 1.5284751802758285
Energy: 1.4719609355184435
Energy: 1.4794499644256065
Energy: 1.4794196784792029
Energy: 1.309754634259267
Energy: 1.4796961783904758
Energy: 1.478515335244251
Energy: 1.3077473273586349
Energy: 1.483634425204503
Energy: 1.4810918284399475
Energy: 1.3066498578143053
Energy: 1.5734457382963878
Energy: 1.4830557532286532
Energy: 1.3543203967988782
Energy: 1.4789739130626864
Energy: 1.5703524083017724
Energy: 1.3082720908017436
Energy: 1.5682860476498677
Energy: 1.4832525734990472
Energy: 1.355512600669967
Energy: 1.483194832961589
Energy: 1.5716384419854674
Energy: 1.8107306507300918
Energy: 1.483995331014315
Energy: 1.6101884438306
Energy: 1.3053681419513143
Energy: 1.4795952104103731
Energy: 1.5703998063281257
Energy: 1.3080513245893188
Energy: 1.5684995796186973
Energy: 1.3079725837775922
Energy: 1.3066295603883904
Energy: 1.4804529094602537
Energy: 1.479408378898189
Energy: 1.3074908735937554
Energy: 1.4806544995923068
Energy: 1.5696463385992863
Energy: 1.3112815642174096
Energy: 1.47958889644668
Energy: 1.4784451559863299
Energy: 1.3540479837209605
Energy: 1.4798797845071432
Energy: 1.4790805335113042
Energy: 1.3066516450880707
Energy: 1.5722019222893808
Energy: 1.4835316655440132
Energy: 1.3077862585027773
Energy: 1.5684111506310805
Energy: 1.5274498022641887
Energy: 1.3081225734509134
Energy: 1.568783151933971
Energy: 1.482021888417715
Energy: 1.354490527966057
Energy: 1.4790133625649953
Energy: 1.569828741974321

minimum gb energy = 1.29013487825825 eV
minimum distance =  2.26357204984441 Angstroms
sigma value = 9


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

Energy: 1.4921065251713024
Energy: 1.5320774795610255
Energy: 1.4004627594860966
Energy: 1.4777552307891375
Energy: 1.4419391540360242
Energy: 1.613353329463851
Energy: 1.449669879960735
Energy: 1.7103940443143781
Energy: 1.439777618435538
Energy: 1.4708068067609403
Energy: 1.4394634292204393
Energy: 1.5131240799017174
Energy: 1.5123940226780976
Energy: 1.6918407638881041
Energy: 1.6782237397501207
Energy: 1.4426149401627542
Energy: 1.6748028117769242
Energy: 1.440772044457901
Energy: 1.352483552412844
Energy: 1.679556567842388
Energy: 1.679298184320745
Energy: 1.4418150411463388
Energy: 1.6697459019465581
Energy: 1.688695914777066
Energy: 1.440419877383336
Energy: 1.6780334373128178
Energy: 1.693480807049651
Energy: 1.5437666059137778
Energy: 1.670008184379657
Energy: 1.5620581187826144
Energy: 1.4388771844257253
Energy: 1.4394819136517787
Energy: 1.6761160529628742
Energy: 1.4885299784860508
Energy: 1.4411194475678801
Energy: 1.4391385010415085
Energy: 1.4009717182168382
Energy: 1.4409273898232902
Energy: 1.5766310991063797
Energy: 1.6340350958754768
Energy: 1.4422861747328273
Energy: 1.4013649832860728
Energy: 1.3872519960631908
Energy: 1.4391845691764475
Energy: 1.655505192093267
Energy: 1.4887969605672657
Energy: 1.440501869419605
Energy: 1.391463157386661
Energy: 1.4027985982414446
Energy: 1.6494220652937228
Energy: 1.6470759118469396
Energy: 1.5436005370064199
Energy: 1.6357328545572962
Energy: 1.4005362655840057
Energy: 1.4020109086808525
Energy: 1.6477247400546817
Energy: 1.6329090183908284
Energy: 1.4262461376876918
Energy: 1.6342775572205885
Energy: 1.654599934272211
Energy: 1.4744675115732508
Energy: 1.6457640186866938
Energy: 1.6321864033081193
Energy: 1.519476065527208
Energy: 1.6321489148688013
Energy: 1.4048806584288047
Energy: 1.4036209197308744
Energy: 1.5997389193547908
Energy: 1.5596212493955164
Energy: 1.5418625522449132
Energy: 1.5603183225785704
Energy: 1.47479625863463
Energy: 1.435290694895449
Energy: 1.5629218752978635
Energy: 1.5297949090457916
Energy: 1.4522266839868059
Energy: 1.5622575339704685
Energy: 1.6779332044273665
Energy: 1.4038491289400556
Energy: 1.5630859001502886
Energy: 1.5273135444302441
Energy: 1.4534953008205742
Energy: 1.5605460794651613
Energy: 1.6381202570571565
Energy: 1.4765939970169648
Energy: 1.6261334595047385
Energy: 1.4549258911374363
Energy: 1.4541792971008747
Energy: 1.5620364850981772
Energy: 1.4938035107927075
Energy: 1.5214900154052682
Energy: 1.56148265166988
Energy: 1.5640992451102722
Energy: 1.4527740242550482
Energy: 1.5613437449905194
Energy: 1.5970036672679417
Energy: 1.351390542083622
Energy: 1.5603371651883384
Energy: 1.5615457261959615
Energy: 1.489954539236663
Energy: 1.5598464018092888
Energy: 1.595951628419787
Energy: 1.496734836233884
Energy: 1.632587953910591
Energy: 1.56211999477054
Energy: 1.4420976822912435
Energy: 1.6322497915710348
Energy: 1.4975512718268487
Energy: 1.402673671498446
Energy: 1.656577559226742
Energy: 1.6782703368248826
Energy: 1.559867459713545
Energy: 1.643219101153981
Energy: 1.3939590219363283
Energy: 1.4042391299484944
Energy: 1.6360877287891444
Energy: 1.7337764940112679
Energy: 1.5134042898239297
Energy: 1.632711853130668
Energy: 1.5901773982641667
Energy: 1.4003788963052652
Energy: 1.3991573636275363
Energy: 1.6533058622768773
Energy: 1.5408046219751428
Energy: 1.656727957855356
Energy: 1.3993497986929013
Energy: 1.3912519206328742
Energy: 1.440216633144387
Energy: 1.5161836493708534
Energy: 1.3473830860508025
Energy: 1.4401307566587676
Energy: 1.3926599844015999
Energy: 1.4363955981964467
Energy: 1.4392936948505015
Energy: 1.6037017202073287
Energy: 1.3470981077834245
Energy: 1.4390927507591864
Energy: 1.4392962185748248
Energy: 1.4406374172390537
Energy: 1.6797196862856174
Energy: 1.7405085387763204
Energy: 1.51339192778792
Energy: 1.672568542319998
Energy: 1.4422841160013966
Energy: 1.4396077523769426
Energy: 1.7040362900449695
Energy: 1.6891483615448366
Energy: 1.440740495876796
Energy: 1.6786827547430592
Energy: 1.6904481872441162
Energy: 1.440470390905499
Energy: 1.6799594738017338
Energy: 1.6830206328399615
Energy: 1.3530077135351244
Energy: 1.686539307639123
Energy: 1.441810800943318
Energy: 1.4882460755917029
Energy: 1.6731907757742803
Energy: 1.4403637735093195
Energy: 1.4400427826221454
Energy: 1.4418680303192182
Energy: 1.5121528154318882
Energy: 1.537376914458643
Energy: 1.4394023142202157
Energy: 1.4400415515608114
Energy: 1.41087997908707
Energy: 1.439811239311018
Energy: 1.559900571688066
Energy: 1.4006554756677467
Energy: 1.4391499147025655
Energy: 1.4388675799975739
Energy: 1.3868822438103736
Energy: 1.4392356132021855
Energy: 1.5594533510370083
Energy: 1.510810151627079
Energy: 1.6369222789413642
Energy: 1.4013913081158313
Energy: 1.4018779531994165
Energy: 1.6562080949690678
Energy: 1.5599695738818622
Energy: 1.5329756092531408
Energy: 1.6318262582014704
Energy: 1.6475411560412412
Energy: 1.3987917956259532
Energy: 1.6318622543756127
Energy: 1.7340457508485492
Energy: 1.5232657768536064
Energy: 1.6349967536038077
Energy: 1.6629872299585025
Energy: 1.4045828463775618
Energy: 1.6474512162372947
Energy: 1.6630116628704545
Energy: 1.5139783618792668
Energy: 1.5613259794886887
Energy: 1.647776681975806
Energy: 1.4983517382002516
Energy: 1.6366557668336787
Energy: 1.5109018069880324
Energy: 1.4658087261696346
Energy: 1.5613339508736663
Energy: 1.560996974210834
Energy: 1.3952757664323534
Energy: 1.5610076302145128
Energy: 1.508692344191214
Energy: 1.4528908765223194
Energy: 1.559798403806995
Energy: 1.5603464006260905
Energy: 1.536830646714088
Energy: 1.5600283269125301
Energy: 1.5235528771675944
Energy: 1.4490377619910355
Energy: 1.5324737122846734
Energy: 1.6182286547847302
Energy: 1.4974432035473482
Energy: 1.6246336822141987
Energy: 1.4522104929868804
Energy: 1.4962354512993743
Energy: 1.5601884299234945
Energy: 1.5639339970250243
Energy: 1.3518953261537185
Energy: 1.5599193369789714
Energy: 1.5615455194576704
Energy: 1.4536506999035632
Energy: 1.5799618494317822
Energy: 1.597547950954551
Energy: 1.4236177739801719
Energy: 1.5611386585608271
Energy: 1.4845192759527603
Energy: 1.51269831184938
Energy: 1.5628951855450526
Energy: 1.6057755104964733
Energy: 1.4779093152919374
Energy: 1.6363883916093267
Energy: 1.5117082527051315
Energy: 1.4364673135955726
Energy: 1.6342079197270798
Energy: 1.6632702600203197
Energy: 1.4061895419454402
Energy: 1.641403037412569
Energy: 1.6327958112694936
Energy: 1.441174985378049
Energy: 1.6321780878560475
Energy: 1.6550355563016284
Energy: 1.4023272278047336
Energy: 1.6326972654617786
Energy: 1.6315894270919333
Energy: 1.5111255154472163
Energy: 1.6363377677234023
Energy: 1.4010721277016849
Energy: 1.4022381581856782
Energy: 1.6565850570229794
Energy: 1.5111499340508006
Energy: 1.490207810593072
Energy: 1.439860341864892
Energy: 1.4395767664395391
Energy: 1.3861694369048023
Energy: 1.4398719164623301
Energy: 1.5498459513353648

minimum gb energy = 1.3470981077834245 eV
minimum distance =  2.22662007046734 Angstroms
sigma value = 57


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

Energy: 2.4481785292623117
Energy: 1.5861172567577215
Energy: 1.2732231918542574
Energy: 1.2751888339236694
Energy: 1.429841105237168
Energy: 1.594774246294443
Energy: 1.2493552305849054
Energy: 1.5706539864108247
Energy: 1.4262383620834673
Energy: 1.2433778538745082
Energy: 1.425708113073437
Energy: 1.5686141021128992
Energy: 1.246089591140985
Energy: 1.5794347545331109
Energy: 1.5801509741463102
Energy: 1.2513011082324974
Energy: 1.5799668907668352
Energy: 1.4285207495909933
Energy: 1.2414848251454744
Energy: 1.5798366149835505
Energy: 1.5792496098243334
Energy: 1.251577093971057
Energy: 1.5796080934172014
Energy: 1.2372829365458429
Energy: 1.2420041109709323
Energy: 1.4721510069319166
Energy: 1.5793062407772145
Energy: 1.2464378472591142
Energy: 1.5796674003401403
Energy: 1.4731245148903434
Energy: 1.24256401841199
Energy: 1.4255795261241604
Energy: 1.59374009584069
Energy: 1.2476661670571894
Energy: 1.4267715417848246
Energy: 1.4249996727128338
Energy: 1.2705574571754334
Energy: 1.4296940398395328
Energy: 1.4339817461948545
Energy: 1.4205553360637408
Energy: 1.4287498957787395
Energy: 1.27211282827889
Energy: 1.2745792609665398
Energy: 1.4257892335861804
Energy: 1.5898421610182896
Energy: 1.4288607086139646
Energy: 1.4269742992542658
Energy: 1.4247211807384712
Energy: 1.2718648849677627
Energy: 1.2722902787984758
Energy: 1.57944499024319
Energy: 1.2483914436418488
Energy: 1.5891917491971743
Energy: 1.2731912195926889
Energy: 1.273074559073945
Energy: 1.4291584354311544
Energy: 1.565396367872236
Energy: 1.4238340024868452
Energy: 1.4278145405321774
Energy: 1.27321520199346
Energy: 1.2446457233594237
Energy: 1.4269490545261396
Energy: 1.5660199214990551
Energy: 1.239267912961732
Energy: 1.4258223595553574
Energy: 1.2470787392039266
Energy: 1.2486069602645191
Energy: 1.5856392733096474
Energy: 1.5809206359121375
Energy: 1.245270955164897
Energy: 1.5842726270866627
Energy: 1.4288710246265208
Energy: 1.2464375715620224
Energy: 1.58104311940537
Energy: 1.4727996561536623
Energy: 1.4302086316156313
Energy: 1.5842778084558975
Energy: 1.5807437974866925
Energy: 1.2483200223321937
Energy: 1.5815478696908696
Energy: 1.470062187966965
Energy: 1.2415022257776354
Energy: 1.5806021254074352
Energy: 1.4694895966567378
Energy: 1.2478765505568408
Energy: 1.5825576330685707
Energy: 1.4281990882369255
Energy: 1.2492517054653716
Energy: 1.4278213701820168
Energy: 1.5672509669440096
Energy: 1.2334678161298327
Energy: 1.4275340919900557
Energy: 1.4297553429131822
Energy: 1.2510746518830407
Energy: 1.4291308925067758
Energy: 1.465699572642827
Energy: 1.233168879407212
Energy: 1.4254433664561794
Energy: 1.4262550786646755
Energy: 1.274057493259968
Energy: 1.4259998321814904
Energy: 1.565581786684053
Energy: 1.2444350242135858
Energy: 1.5876862332845916
Energy: 1.2722744554590553
Energy: 1.2700034060192107
Energy: 1.4322270517244575
Energy: 1.5662957271757023
Energy: 1.2365681800066126
Energy: 1.5660190765152515
Energy: 1.4255594112093573
Energy: 1.2735045240485794
Energy: 1.425961915605831
Energy: 1.584894231050619

minimum gb energy = 1.233168879407212 eV
minimum distance =  2.22214748182779 Angstroms
sigma value = 11


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

Energy: 1.691262201627585
Energy: 1.158741963977102
Energy: 1.17058261914042
Energy: 1.2524602286119595
Energy: 1.165704749795539
Energy: 1.1598956479789806
Energy: 1.5599286431676571
Energy: 1.4745159842337774
Energy: 1.300082478268642
Energy: 1.3498012569260254
Energy: 1.2996887568228754
Energy: 1.5073893492913144
Energy: 1.3604822579937634
Energy: 1.4698925131714422
Energy: 1.4726730456851118
Energy: 1.1590226266557768
Energy: 1.46996691934441
Energy: 1.523387087517255
Energy: 1.5566943423029782
Energy: 1.4703219741685738
Energy: 1.473039225865506
Energy: 1.1607878663205506
Energy: 1.469348997494469
Energy: 1.5018210104717633
Energy: 1.5563950861141687
Energy: 1.4705215194883952
Energy: 1.4710472627271654
Energy: 1.351055039421146
Energy: 1.4689043469802618
Energy: 1.5018559502165416
Energy: 1.3584225849954412
Energy: 1.4739446548598656
Energy: 1.4756725833323332
Energy: 1.3548625483153187
Energy: 1.4742544380370792
Energy: 1.5325880043089168
Energy: 1.3628978194378762
Energy: 1.3610350297504008
Energy: 1.4700260284513178
Energy: 1.3618432861986753
Energy: 1.4699483237147253
Energy: 1.3592568783265282
Energy: 1.1530242469772052
Energy: 1.4714747058760107
Energy: 1.4740295325390809
Energy: 1.429056579113867
Energy: 1.4750173980681487
Energy: 1.362392658111919
Energy: 1.361392293068485
Energy: 1.2994344224159045
Energy: 1.5073502874327591
Energy: 1.3033854326627055
Energy: 1.4715813118385292
Energy: 1.3004359954554725
Energy: 1.1539808183261568
Energy: 1.299851729018193
Energy: 1.299404336152332
Energy: 1.5229723423911945
Energy: 1.2990894676822808
Energy: 1.1661549921064394
Energy: 1.1674782487148532
Energy: 1.2985662757951701
Energy: 1.2984138091280264
Energy: 1.3637897018399385
Energy: 1.2977505472653463
Energy: 1.2985729953724172
Energy: 1.161463874028992
Energy: 1.2990801852493234
Energy: 1.505846883459914
Energy: 1.4712681111459427
Energy: 1.4343174456530718
Energy: 1.1654377933940336
Energy: 1.1694638961378891
Energy: 1.29832939925098
Energy: 1.4739040633329956
Energy: 1.1638735509996274
Energy: 1.2987031265535196
Energy: 1.1671044907389585
Energy: 1.1574175810657705
Energy: 1.1649550122173367
Energy: 1.4259901442969813
Energy: 1.1507821816476167
Energy: 1.3002870915203362
Energy: 1.1564410103055982
Energy: 1.3609502970842648
Energy: 1.2994901040598315
Energy: 1.5070750627564178
Energy: 1.3018697162549937
Energy: 1.4731651974018807
Energy: 1.3014361069836207
Energy: 1.3615825066393563
Energy: 1.4704588836595953
Energy: 1.5232913413187277
Energy: 1.5326874760993636
Energy: 1.471186770773831
Energy: 1.364813627091896
Energy: 1.36207547196293
Energy: 1.4729029595766123
Energy: 1.5016281406691425
Energy: 1.5041750290282023
Energy: 1.4701804015705413
Energy: 1.360661102560009
Energy: 1.3558188693932307
Energy: 1.4706584517892531
Energy: 1.5232048269284562
Energy: 1.5351898606533838
Energy: 1.469916053748793
Energy: 1.4713871651408537
Energy: 1.3597871822619665
Energy: 1.4698304926427237
Energy: 1.4701745996163045
Energy: 1.1549898391029858
Energy: 1.4703405229960456
Energy: 1.475252960171248
Energy: 1.3540871756203525
Energy: 1.469406483963105
Energy: 1.3618452255899105
Energy: 1.2996221168206379
Energy: 1.471596680061033
Energy: 1.4693868308585023
Energy: 1.5646755710343616
Energy: 1.4695839815311866
Energy: 1.363037418399503
Energy: 1.1539149048738586
Energy: 1.4689696699371169
Energy: 1.480828555198313
Energy: 1.3624558280182195
Energy: 1.472932526068117
Energy: 1.2987619648121438
Energy: 1.3558220256654696
Energy: 1.298587227234634
Energy: 1.5064430602709147
Energy: 1.3522999866344232
Energy: 1.3002822337072155
Energy: 1.1696841513468772
Energy: 1.1583532104717733
Energy: 1.3002950269163382
Energy: 1.4697592351275321
Energy: 1.5553466205818007
Energy: 1.29888451079732
Energy: 1.298339146649166
Energy: 1.1678909666828683
Energy: 1.2985611611193195
Energy: 1.5079095416990178
Energy: 1.5605542969153872
Energy: 1.4345146594721865
Energy: 1.1655175457615425
Energy: 1.162769200304548
Energy: 1.3003085436314765
Energy: 1.5073519624189473
Energy: 1.1605647122967038
Energy: 1.2981878147859645
Energy: 1.1664737951476256
Energy: 1.1681238319591156
Energy: 1.2989373619878175
Energy: 1.4264876230120003

minimum gb energy = 1.1507821816476167 eV
minimum distance =  2.20461577777202 Angstroms
sigma value = 41


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

Energy: 1.9570900292743372
Energy: 1.0588105948781665
Energy: 1.0697345558455875
Energy: 1.0695801026083063
Energy: 1.0694868189240183
Energy: 1.374728939899618
Energy: 1.3681359290688875
Energy: 1.3653489777669052
Energy: 1.184344943686171
Energy: 1.2197679560168455
Energy: 1.1851095034378374
Energy: 1.3653914966491159
Energy: 1.577409482488168
Energy: 1.3663363133917772
Energy: 1.3289404614195377
Energy: 1.1797751725458225
Energy: 1.3269818872330965
Energy: 1.3673199255344533
Energy: 1.7744929796868014
Energy: 1.3271900727627768
Energy: 1.3284139391053362
Energy: 1.1800852146088328
Energy: 1.327420603335856
Energy: 1.3616010066130098
Energy: 1.774951563684055
Energy: 1.3276795625513962
Energy: 1.3268572049041354
Energy: 1.3737157258014292
Energy: 1.326937979021234
Energy: 1.3622040615788227
Energy: 1.5767725530217622
Energy: 1.3679767687903086
Energy: 1.3369354131328808
Energy: 1.375374454967767
Energy: 1.3683682663907717
Energy: 1.367926617871741
Energy: 1.5767195305215844
Energy: 1.368764247204671
Energy: 1.367592337371765
Energy: 1.3673943590403737
Energy: 1.3677406409171036
Energy: 1.4012491556066133
Energy: 1.3700417409811236
Energy: 1.367473249826793
Energy: 1.3680776566305866
Energy: 1.327977536783249
Energy: 1.3788552459083216
Energy: 1.3623836845724613
Energy: 1.5762478087195417
Energy: 1.3369439422635472
Energy: 1.3690873159642527
Energy: 1.3647358258935547
Energy: 1.3690785903548306
Energy: 1.3378695473324052
Energy: 1.379920537313395
Energy: 1.2420559162177318
Energy: 1.3274381764345267
Energy: 1.3882526722181434
Energy: 1.3271590350448323
Energy: 1.3746252371134506
Energy: 1.2255520641835014
Energy: 1.3274444153560054
Energy: 1.3281288877360085
Energy: 1.371885707032234
Energy: 1.3275921398150974
Energy: 1.2425554333864555
Energy: 1.227410314890957
Energy: 1.2417022128801212
Energy: 1.364888346928949
Energy: 1.3676602018038335
Energy: 1.327289406074129
Energy: 1.2415393821476866
Energy: 1.2172872069524399
Energy: 1.179229830752872
Energy: 1.241375656663943
Energy: 1.3680082186569877
Energy: 1.1839388014720449
Energy: 1.1792401563328163
Energy: 1.0663826492477566
Energy: 1.179705054387644
Energy: 1.326040942887718
Energy: 1.3273450769540882
Energy: 1.1795625487943404
Energy: 1.0683411211188514
Energy: 1.0699188924517258
Energy: 1.1789658347096603
Energy: 1.3654574466467853
Energy: 1.367997128786924
Energy: 1.1792812669429902
Energy: 1.0696583858465123
Energy: 1.0687485377199266
Energy: 1.179052003606606
Energy: 1.3652498536440059
Energy: 1.367383887053257
Energy: 1.0685282363690447
Energy: 1.0699719325615034
Energy: 1.066252876027245
Energy: 1.0685717173534564
Energy: 1.2801306938635055
Energy: 1.4266311298063472
Energy: 1.1792935886333626
Energy: 1.0684585103533422
Energy: 1.2161941040897857
Energy: 1.1790824837154712
Energy: 1.3291030750916883
Energy: 1.370528576587085
Energy: 1.1834218936815726
Energy: 1.2154306321309685
Energy: 1.2253215217012454
Energy: 1.3294997413369607
Energy: 1.3645512001283981
Energy: 1.3679520732548205
Energy: 1.327263805464681
Energy: 1.241937981869919
Energy: 1.2255517262416384
Energy: 1.3278938929818243
Energy: 1.327733273695143
Energy: 1.3611197155404495
Energy: 1.3276486855394725
Energy: 1.242525294250908
Energy: 1.2260217251940029
Energy: 1.3289630271589743
Energy: 1.3608086119546132
Energy: 1.3616268284007689
Energy: 1.3272074322239813
Energy: 1.2418542283813097
Energy: 1.5841595581798409
Energy: 1.337488892483655
Energy: 1.369425544192593
Energy: 1.364974212744952
Energy: 1.3688243970015757
Energy: 1.336944011268907
Energy: 1.5828179159553286
Energy: 1.3672969127618522
Energy: 1.337734384529003
Energy: 1.3763344282793704
Energy: 1.368544036365192
Energy: 1.367283736716677
Energy: 1.5821995774234678
Energy: 1.3682104897432743
Energy: 1.3677066304821952
Energy: 1.3638726204657825
Energy: 1.3680707977084121
Energy: 1.3484099296877772
Energy: 1.577316605449764
Energy: 1.3677393418526418
Energy: 1.4015208426525112
Energy: 1.3752168290280251
Energy: 1.3680440976795547
Energy: 1.3674792612643505
Energy: 1.5660050699260537
Energy: 1.3278617959880856
Energy: 1.3268028481670453
Energy: 1.3735795946513254
Energy: 1.3272933971787266
Energy: 1.3357696131377133
Energy: 1.5689682715743283
Energy: 1.327262876258174
Energy: 1.2419874337942793
Energy: 1.1794050226214972
Energy: 1.327499958174947
Energy: 1.3272721042251978
Energy: 1.7855096589297126
Energy: 1.3272919168283375
Energy: 1.2426589657191434
Energy: 1.179602742102127
Energy: 1.326931205742022
Energy: 1.3671075436480817
Energy: 1.576388701559588
Energy: 1.2420806380894862
Energy: 1.1840625764613688
Energy: 1.2200487801151123
Energy: 1.1805992985496747
Energy: 1.3663130888441737
Energy: 1.5661091093184416
Energy: 1.0687584375248764
Energy: 1.0649663125697362
Energy: 1.0650033912423935
Energy: 1.0687933901637783
Energy: 1.2392522793539744
Energy: 1.576457784486233
Energy: 1.1799559764396048
Energy: 1.1823494566664698
Energy: 1.069270266604666
Energy: 1.183653353765007
Energy: 1.366092254321457
Energy: 1.7829729466449382
Energy: 1.3268999683882896
Energy: 1.0688046470291817
Energy: 1.0683398937380597
Energy: 1.0709011891784284
Energy: 1.3650195305505575
Energy: 1.7610555985724816
Energy: 1.1794633460539665
Energy: 1.0693428410465244
Energy: 1.0694426195106652
Energy: 1.1796054501822446
Energy: 1.2813231545375645

minimum gb energy = 1.0588105948781665 eV
minimum distance =  2.2042548363859 Angstroms
sigma value = 33


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

Energy: 1.8335986809460911
Energy: 0.9329544520448632
Energy: 0.9376551543007021
Energy: 1.052753738603697
Energy: 0.9372416065324917
Energy: 1.1734271650534265
Energy: 1.7168291217746523
Energy: 1.1662370799074675
Energy: 1.0233063989598332
Energy: 1.0391065853987849
Energy: 1.0191830767416798
Energy: 1.1662779588604495
Energy: 1.9066445125439087
Energy: 1.164631458700872
Energy: 1.0596208755363041
Energy: 1.062120333810265
Energy: 1.061660853065497
Energy: 1.1773645280095106
Energy: 1.7125471679412594
Energy: 1.06101503505111
Energy: 1.0601715133770016
Energy: 0.9358211362448138
Energy: 1.0628647970439558
Energy: 1.1628368403597085
Energy: 1.7127799525678997
Energy: 1.0611625571369288
Energy: 1.1311255987505076
Energy: 1.1578133377116147
Energy: 1.0623063829011898
Energy: 1.1633639469253247
Energy: 1.9047342969318202
Energy: 1.176475656264989
Energy: 1.1565815023939994
Energy: 1.1582058775480963
Energy: 1.1809769430063777
Energy: 1.1766146308565768
Energy: 1.8909610158939711
Energy: 1.180021074240235
Energy: 1.1784738185425003
Energy: 1.177098007176727
Energy: 1.1815842929262212
Energy: 1.210640703747696
Energy: 1.4195859654603125
Energy: 1.1765848352027222
Energy: 1.1912380330652828
Energy: 1.0765918580852913
Energy: 1.1771950545095742
Energy: 1.1855865858858345
Energy: 1.8885245853669903
Energy: 1.2059055919791748
Energy: 1.1767391077631832
Energy: 1.1774039042086466
Energy: 1.2026617848735979
Energy: 1.1904099814066607
Energy: 1.736232832274205
Energy: 1.188666680012765
Energy: 1.1887824014360182
Energy: 1.1890096477543908
Energy: 1.1888560036219922
Energy: 1.1888429872814248
Energy: 1.419811029456073
Energy: 1.1882071535125966
Energy: 1.1880512904257405
Energy: 1.2051344777173918
Energy: 1.1900687931088625
Energy: 1.187636758080973
Energy: 1.4205573200034385
Energy: 1.1885255873884697
Energy: 1.1888027974686526
Energy: 1.1876026319177801
Energy: 1.189311296939585
Energy: 1.1884814495649483
Energy: 1.588416522956433
Energy: 1.1784729774246903
Energy: 1.203547041106982
Energy: 1.1911122340399782
Energy: 1.176639274089568
Energy: 1.1776262856921782
Energy: 1.286012770358819
Energy: 1.1797941185812921
Energy: 1.1765146641584412
Energy: 1.188410174133218
Energy: 1.1772400483831609
Energy: 1.196849844126571
Energy: 1.1483259387004738
Energy: 1.180080004011933
Energy: 1.1909004171570285
Energy: 1.189249869921479
Energy: 1.1995103483660838
Energy: 1.187188593186241
Energy: 1.2860052184621908
Energy: 1.1574565942585042
Energy: 1.177899926553485
Energy: 1.1878431899147757
Energy: 1.1778282364247599
Energy: 1.1402320757852287
Energy: 1.2851383315465832
Energy: 1.0597087661151052
Energy: 1.176145982910532
Energy: 1.1771760223744825
Energy: 1.0606331208866016
Energy: 1.1589305262075917
Energy: 1.0491872975654466
Energy: 1.0614038140380968
Energy: 1.139779099083555
Energy: 1.1914017598092101
Energy: 1.1305423235649341
Energy: 1.0599753481992278
Energy: 1.0507765382093204
Energy: 1.058468406821178
Energy: 1.1655550087838618
Energy: 1.17670618007575
Energy: 1.1309227287736774
Energy: 0.9365768735492623
Energy: 1.0400878267250286
Energy: 0.9382480335637259
Energy: 1.0184396941631655
Energy: 1.1792680237176016
Energy: 0.936717372625823
Energy: 0.9367120410044576
Energy: 0.9334583941660135
Energy: 0.9356158166102596
Energy: 1.0592830370600101
Energy: 1.179693951262115
Energy: 0.9367369202419227
Energy: 0.9351613990292559
Energy: 0.9386260728604003
Energy: 0.9372646420202947
Energy: 1.1646830338657665
Energy: 1.1784615594609504
Energy: 0.9366530835242554
Energy: 0.9359940829761454
Energy: 0.9376490872063349
Energy: 1.016760598940769
Energy: 1.1655670466603867
Energy: 1.1791530240073798
Energy: 0.9368530497073225
Energy: 0.936766538091126
Energy: 0.9349014539614893
Energy: 0.9351077212696685
Energy: 1.1630572368446974
Energy: 1.1641688484208161
Energy: 0.9357564196802978
Energy: 0.9354147779875983
Energy: 1.0401934533374084
Energy: 0.9361695430984668
Energy: 1.1677659261136923
Energy: 1.1914247717625681
Energy: 1.0193965633431665
Energy: 1.038865877320543
Energy: 1.0504954537956726
Energy: 1.0613108011723484
Energy: 1.1656312285049903
Energy: 1.177863732841624
Energy: 1.1655454665725284
Energy: 1.059931742622036
Energy: 1.0523366120920896
Energy: 1.0617292698215997
Energy: 1.0616713467198633
Energy: 1.1866255448013636
Energy: 1.0607200333535058
Energy: 1.060961007439662
Energy: 1.2837295532787654
Energy: 1.061056243310386
Energy: 1.1620295342840978
Energy: 1.1869575822765452
Energy: 1.0613426116019107
Energy: 1.060240635189183
Energy: 1.285663658826808
Energy: 1.1578092769795445
Energy: 1.1769490023124978
Energy: 1.188571880040399
Energy: 1.1770587552699323
Energy: 1.155587431963542
Energy: 1.2859772267143577
Energy: 1.179063074774101
Energy: 1.2091766826439296
Energy: 1.190246395871463
Energy: 1.2027241723563695
Energy: 1.1767737411606458
Energy: 1.2857648154544317
Energy: 1.1774067711620064
Energy: 1.1856892596771118
Energy: 1.18775931413649
Energy: 1.1777323611740125
Energy: 1.156027283341741
Energy: 1.569554803546798
Energy: 1.1812800966254673
Energy: 1.2095610916020703
Energy: 1.1909227632591652
Energy: 1.1784992703311008
Energy: 1.1769417370718678
Energy: 1.5722368181718702
Energy: 1.1885473935332618
Energy: 1.1884190337004827
Energy: 1.1877233215836698
Energy: 1.1888607868672922
Energy: 1.1875506811912835
Energy: 1.5740399139160284
Energy: 1.1887266597946535
Energy: 1.1883067237556442
Energy: 1.1907292718266005
Energy: 1.1899731950967694
Energy: 1.1876645285188794
Energy: 1.7374359714491234
Energy: 1.1885669602395288
Energy: 1.1886394776553282
Energy: 1.1905439064806134
Energy: 1.190586732031001
Energy: 1.1884049073424112
Energy: 1.8759033373043452
Energy: 1.2045214864485307
Energy: 1.1768395285705358
Energy: 1.1773955449384474
Energy: 1.17653229118706
Energy: 1.2071906198273001
Energy: 1.5690303005123727
Energy: 1.1768491106487544
Energy: 1.156766109540378
Energy: 1.1587581634017794
Energy: 1.1771558909936295
Energy: 1.1878497060925726
Energy: 1.907484575822483
Energy: 1.218460587033349
Energy: 1.1772315524936159
Energy: 1.174638417384952
Energy: 1.1850743069464291
Energy: 1.1904979040507895
Energy: 1.7376031686968452
Energy: 1.177104147614113
Energy: 1.1563664979895891
Energy: 1.1572791006635257
Energy: 1.1781396307523826
Energy: 1.1769688595984347
Energy: 1.869191175936577
Energy: 1.060702903777801
Energy: 1.1590902668592684
Energy: 1.1578635561581059
Energy: 1.0612971665115907
Energy: 1.1762862319767584
Energy: 1.8689192370730556
Energy: 1.129671027395737
Energy: 1.0594578221241118
Energy: 1.0623339226398938
Energy: 1.0604345838188933
Energy: 1.1324369709959414
Energy: 1.9075596506063874
Energy: 1.164309002090336
Energy: 1.0592251557773231
Energy: 0.9367950971234562
Energy: 1.0615819696825939
Energy: 1.1769537958395488
Energy: 1.8657612436625204
Energy: 1.0616092513311677
Energy: 0.93662643505552
Energy: 1.0378992774888727
Energy: 0.9363890986590307
Energy: 1.1672536455717224
Energy: 1.863516447918544
Energy: 0.9355179242162074
Energy: 0.9353735779653618
Energy: 0.9354193809789934
Energy: 0.9368288489970318
Energy: 1.1771822254205322
Energy: 1.874980925985812
Energy: 1.1666106705721953
Energy: 0.9369670860292927
Energy: 0.9372594642091081
Energy: 1.01691079197755
Energy: 1.165213533382663
Energy: 1.8913003035071168
Energy: 1.1652318499315968
Energy: 0.9369185952098646
Energy: 0.9366612415183209
Energy: 0.9371116982820921
Energy: 1.1647161462199562
Energy: 2.0185658894430727
Energy: 0.9366150972902387
Energy: 0.9353983354419373
Energy: 0.9340750468371994
Energy: 0.9357502646913035
Energy: 1.1632537249510173

minimum gb energy = 0.9329544520448632 eV
minimum distance =  2.26019438885268 Angstroms
sigma value = 67


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

Energy: 0.3173224966679161
Energy: 0.2887421510467046
Energy: 0.4300494707499017
Energy: 0.4305710914429897
Energy: 0.43081126027316285
Energy: 0.28884410970822466
Energy: 0.2742156341050231
Energy: 0.4293981439909655
Energy: 0.415821567509519
Energy: 0.41599461950678
Energy: 0.41792473431304544
Energy: 0.4296167606055939
Energy: 1.6025511965869856
Energy: 0.4156566284144562
Energy: 0.4153426610172487
Energy: 0.41594703302691055
Energy: 0.4148119508556689
Energy: 0.4152998841135375
Energy: 0.2748285549820425
Energy: 0.41484159961618855
Energy: 0.415337601599037
Energy: 0.43022576293919024
Energy: 0.4142012643910824
Energy: 0.2741040341279325
Energy: 0.2739500913670421
Energy: 0.41441844242418713
Energy: 0.41489705500460305
Energy: 0.4153419848063751
Energy: 0.41350798751971024
Energy: 0.27392428011887554
Energy: 1.602440122931905
Energy: 0.4151273823439424
Energy: 0.41545950895723915
Energy: 0.43055298895768024
Energy: 0.41488570561653515
Energy: 0.4149703825560936
Energy: 0.27404960395609473
Energy: 0.4160573597610597
Energy: 0.4157188436666096
Energy: 0.4159025841646255
Energy: 0.41585476032768476
Energy: 0.4158947322388431

minimum gb energy = 0.27392428011887554 eV
minimum distance =  2.43429205919703 Angstroms
sigma value = 3


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

Energy: 2.0938380809394066
Energy: 1.0679811586740933
Energy: 0.9178773356167607
Energy: 0.9119703675268963
Energy: 0.8987929959610291
Energy: 1.1507411156250054
Energy: 1.7651992225410962
Energy: 0.9654961723807002
Energy: 0.9013578610328665
Energy: 0.9050396356506797
Energy: 0.9015599890638076
Energy: 1.148404732581163
Energy: 1.7096374031538812
Energy: 1.114864302629815
Energy: 0.9113054746550913
Energy: 0.9146454107427526
Energy: 0.9113375373796425
Energy: 1.0615903580527204
Energy: 1.732137426296178
Energy: 1.0134070180045582
Energy: 0.9039388306166654
Energy: 0.9059108700845273
Energy: 0.9010516296274672
Energy: 1.121892933830468
Energy: 1.7317205665553859
Energy: 1.0129488592610019
Energy: 1.0157460325788343
Energy: 1.0286774987717964
Energy: 1.0156876878234298
Energy: 1.0167658299447908
Energy: 1.7095896804779072
Energy: 1.0626802487606672
Energy: 0.9043793604948384
Energy: 1.0291263488971991
Energy: 1.015867401274568
Energy: 1.1348908339948922
Energy: 1.7022898265734931
Energy: 1.0811620465784824
Energy: 1.0161386130899546
Energy: 1.0242541960528415
Energy: 1.0277540746614655
Energy: 1.1344701950394986
Energy: 1.7234683424073185
Energy: 1.1346807635573133
Energy: 1.1338454442125752
Energy: 1.0258084094634794
Energy: 1.1337527636027884
Energy: 1.1556723096648407
Energy: 1.6987626764322135
Energy: 1.0303404649823424
Energy: 1.03181672242819
Energy: 1.145732731672941
Energy: 1.031197324185729
Energy: 1.0825003538676294
Energy: 1.7108015411578688
Energy: 1.1620612677594342
Energy: 1.1353299972080253
Energy: 1.1490141570873944
Energy: 1.1334282184021227
Energy: 1.1619841284338535
Energy: 1.6460402905423654
Energy: 1.1605322706259091
Energy: 1.1673242552887722
Energy: 1.0310212936968035
Energy: 1.161803120780619
Energy: 1.160839721377176
Energy: 1.6442512913159415
Energy: 1.1606011241278944
Energy: 1.1638332317427278
Energy: 1.1704540911452774
Energy: 1.160712286622424
Energy: 1.1609531430584406
Energy: 1.6903544124810002
Energy: 1.1611401291502446
Energy: 1.1649843939815447
Energy: 1.1578850767153681
Energy: 1.1633849241891063
Energy: 1.1732081747780874
Energy: 1.6885721576021056
Energy: 1.1683698834925418
Energy: 1.1606447806249567
Energy: 1.1625970557887877
Energy: 1.1711936880417402
Energy: 1.168672506082719
Energy: 1.6146807962105816
Energy: 1.1687394848966879
Energy: 1.1929993233987803
Energy: 1.1655155413448273
Energy: 1.168462179926542
Energy: 1.1720133348437591
Energy: 1.5538314481670272
Energy: 1.1814390893103452
Energy: 1.1691694621300175
Energy: 1.167908638104496
Energy: 1.1680146567639635
Energy: 1.1698072767228043
Energy: 1.551934011240013
Energy: 1.1584191276077862
Energy: 1.1683029205479276
Energy: 1.1924342529649001
Energy: 1.1711164357680388
Energy: 1.1587328160593073
Energy: 1.5508531472034064
Energy: 1.1630333986919348
Energy: 1.1582548011585108
Energy: 1.1778596662557412
Energy: 1.1587761149508515
Energy: 1.1143745131743659
Energy: 1.5507496398380303
Energy: 1.1578267260411357
Energy: 1.158539854708925
Energy: 1.1630137128959803
Energy: 1.158231885088146
Energy: 1.1595841115390457
Energy: 1.2876176511624609
Energy: 1.114132131128976
Energy: 1.1581564724416356
Energy: 1.162812429002559
Energy: 1.1580371525286592
Energy: 1.0984020267149148
Energy: 1.2866031853222268
Energy: 1.0969744117478202
Energy: 1.180173577935084
Energy: 1.1677400138210552
Energy: 1.0944151331515344
Energy: 1.0967865971087785
Energy: 1.286965184195774
Energy: 1.0970196899452034
Energy: 1.1581806626205067
Energy: 1.1740982115829939
Energy: 1.0974115791977501
Energy: 1.1016627770079357
Energy: 1.0860420908672666
Energy: 1.0997850895910362
Energy: 1.143038022596433
Energy: 1.164739092564818
Energy: 1.097756890172892
Energy: 1.101340036295577
Energy: 1.0892048091342212
Energy: 1.0780456232430589
Energy: 1.148136743486593
Energy: 1.1413906861017893
Energy: 1.0970671516418862
Energy: 1.015155333197893
Energy: 1.0888354036240877
Energy: 0.897643197112347
Energy: 0.9497630607067704
Energy: 1.1669482042551278
Energy: 0.896287889103988
Energy: 0.8959859682656318
Energy: 1.075066364423797
Energy: 1.056760834197429
Energy: 1.1095045443760208
Energy: 1.1480929843256606
Energy: 1.1091743865934574
Energy: 1.0609410120016844
Energy: 0.9523403708452829
Energy: 0.947194364375536
Energy: 1.1094784323912583
Energy: 1.1478925567124585
Energy: 1.1089469447093034
Energy: 0.9473642242347318
Energy: 0.9701221162809629
Energy: 0.9048119811551478
Energy: 1.1101845628043563
Energy: 1.1676235393951866
Energy: 0.9023662951624163
Energy: 0.9090513917489143
Energy: 0.9714186372572623
Energy: 0.9702410192601839
Energy: 1.1487862738065298
Energy: 1.1693784117801282
Energy: 0.9752130178090499
Energy: 0.9089631077790286
Energy: 1.0442728610947798
Energy: 0.9751352152364081
Energy: 1.122504433972494
Energy: 1.1559822054832496
Energy: 0.9720175552270734
Energy: 0.9787542230016862
Energy: 1.0440258314303985
Energy: 0.9750561930854451
Energy: 1.1472760151692503
Energy: 1.1662458937384852
Energy: 0.9791576289896275
Energy: 0.9758018562338082
Energy: 1.0365254130354087
Energy: 0.9780074614601822
Energy: 1.153504921463462
Energy: 1.1670736291062627
Energy: 0.9658297374038158
Energy: 0.9781911408828735
Energy: 1.0272297250640408
Energy: 0.9772764939098806
Energy: 1.131172478296454
Energy: 1.1671199854769905
Energy: 1.1309245983527823
Energy: 0.9773191374581425
Energy: 1.2781889789479208
Energy: 1.1349508654849405
Energy: 1.1307717676171711
Energy: 1.1512767958033217
Energy: 1.1309851215363735
Energy: 1.1320812356210366
Energy: 1.2826718012554115
Energy: 1.1321004888558461
Energy: 1.1314428254515505
Energy: 1.186529434314832
Energy: 1.1313636831595526
Energy: 1.1337251269861222
Energy: 1.2822916550224825
Energy: 1.1599589897502827
Energy: 1.1601537858047317
Energy: 1.187540033898761
Energy: 1.1600540482031798
Energy: 1.1461024333640326
Energy: 1.4353668648158404
Energy: 1.1652248302116115
Energy: 1.1611751879305032
Energy: 1.167874024766445
Energy: 1.1604462236874393
Energy: 1.1613945004803123
Energy: 1.4780135036629545
Energy: 1.1596912412206495
Energy: 1.161866787783399
Energy: 1.1674320796176416
Energy: 1.1863928036083127
Energy: 1.1668998594268638
Energy: 1.5555397734603023
Energy: 1.1625062678810387
Energy: 1.1693153065390225
Energy: 1.1706186402836494
Energy: 1.1725544474162974
Energy: 1.1603450441885625
Energy: 1.5655141889127082
Energy: 1.1692533750305263
Energy: 1.1690520683689885
Energy: 1.1655833826287854
Energy: 1.1740398914569141
Energy: 1.1696210826630606
Energy: 1.640725762141351
Energy: 1.1689765425885228
Energy: 1.1693171764518027
Energy: 1.1693144030846496
Energy: 1.1709977343207127
Energy: 1.1692487286458026
Energy: 1.640900027135932
Energy: 1.1689079955738242
Energy: 1.1689883380424941
Energy: 1.165644901418152
Energy: 1.1716349939850936
Energy: 1.168601501050528
Energy: 1.691532592664448
Energy: 1.1785342877413716
Energy: 1.16252809550051
Energy: 1.1633607126498033
Energy: 1.1618556564407618
Energy: 1.1701597913066921
Energy: 1.700116898030809
Energy: 1.161239242415859
Energy: 1.1650346144265562
Energy: 1.1054181263935727
Energy: 1.1660207758532348
Energy: 1.1727630778535376
Energy: 1.7641426098566908
Energy: 1.1621811576634566
Energy: 1.1618092485318376
Energy: 1.1634713068037739
Energy: 1.1604668758132297
Energy: 1.1650193506806208
Energy: 1.6993250057963871
Energy: 1.1610949126629997
Energy: 1.1477756806634523
Energy: 1.1591018632703556
Energy: 1.1785412624802698
Energy: 1.16123270015019
Energy: 1.6918594158086684
Energy: 1.0829169404859875
Energy: 1.032640780910476
Energy: 1.0287648353072418
Energy: 1.13401364099874
Energy: 1.151496732715729
Energy: 1.8447721483742237
Energy: 1.133635543066314
Energy: 1.1348569552836707
Energy: 1.1491615490313483
Energy: 1.1332721205581804
Energy: 1.0916116801764235
Energy: 1.7365103019437547
Energy: 1.1334528446460475
Energy: 1.0188898113638194
Energy: 1.026747920141136
Energy: 1.0302972545358497
Energy: 1.0914162790999182
Energy: 1.709879662687127
Energy: 1.1149530015221407
Energy: 1.0131178763069313
Energy: 1.0208478777341106
Energy: 1.01297765176435
Energy: 1.1479036035924632
Energy: 1.718790793270033
Energy: 1.0174832599901777
Energy: 1.0132260882321642
Energy: 1.0248754612523154
Energy: 0.9008175501864625
Energy: 1.0361755470264908

minimum gb energy = 0.8959859682656318 eV
minimum distance =  2.23964051787251 Angstroms
sigma value = 81


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

Energy: 2.286894637191401
Energy: 1.236083149095613
Energy: 1.0202446813919466
Energy: 1.0195314421806492
Energy: 1.0208764562593093
Energy: 1.3368782866720748
Energy: 1.664439970670295
Energy: 1.0327071567057278
Energy: 1.0177744743355712
Energy: 1.0176685659061802
Energy: 1.0179725655008367
Energy: 1.322327463677047
Energy: 1.5519666366629845
Energy: 1.0135385852416734
Energy: 1.0269732426131353
Energy: 1.0287470321950345
Energy: 1.0250526230875465
Energy: 1.3326044077820178
Energy: 1.6561502204145946
Energy: 1.1686551211504448
Energy: 1.0191760713543125
Energy: 1.0218020296419856
Energy: 1.0194249660231662
Energy: 1.3055214310080707
Energy: 1.6558184376857132
Energy: 1.1684840723716803
Energy: 1.1689398899729182
Energy: 1.1897222258795699
Energy: 1.1684097556863025
Energy: 1.305932637901934
Energy: 1.5517586592427477
Energy: 1.303095294275828
Energy: 1.0212040604132653
Energy: 1.0244248181382247
Energy: 1.01947773902231
Energy: 1.3389811884754146
Energy: 1.692518045322739
Energy: 1.3200423909039993
Energy: 1.1716103600623424
Energy: 1.0211360511977225
Energy: 1.1798161369213518
Energy: 1.320318897548896
Energy: 1.6253613443544925
Energy: 1.3215563930891705
Energy: 1.3442878550356974
Energy: 1.205063931130269
Energy: 1.344957222513719
Energy: 1.3332643010289738
Energy: 1.6935214547084767
Energy: 1.339517844346519
Energy: 1.320471036599946
Energy: 1.0837316611566128
Energy: 1.3207105340485006
Energy: 1.3214992355904165
Energy: 1.5511666934158472
Energy: 1.33671391331536
Energy: 1.320424828501756
Energy: 1.191758456733621
Energy: 1.3199164734508244
Energy: 1.3385365004670247
Energy: 1.6256871167818479
Energy: 1.3357309849164598
Energy: 1.3480123675872782
Energy: 1.3541144932978497
Energy: 1.336116525810592
Energy: 1.2898231904808966
Energy: 1.5586943005772411
Energy: 1.337620682156239
Energy: 1.3353123555912996
Energy: 1.3438405482058409
Energy: 1.3376781438538843
Energy: 1.3374852353708697
Energy: 1.3958026021360639
Energy: 1.2899285884988851
Energy: 1.3357676398910434
Energy: 1.3306777908140701
Energy: 1.3385524520534302
Energy: 1.2687473598109162
Energy: 1.5543405125017735
Energy: 1.2682186027834426
Energy: 1.337396525604995
Energy: 1.326781424678315
Energy: 1.2682214497872533
Energy: 1.2681752047652015
Energy: 1.555502815224947
Energy: 1.2684997630927008
Energy: 1.3290624461514977
Energy: 1.232300784638137
Energy: 1.2671846822659323
Energy: 1.2719356645580637
Energy: 1.3464114785570365
Energy: 1.2709691332860273
Energy: 1.3246976277417655
Energy: 1.3403814452509961
Energy: 1.2693676232929523
Energy: 1.2856066768108318
Energy: 1.2698378708115354
Energy: 1.0037222588833088
Energy: 1.2682547629577392
Energy: 1.3618389561149156
Energy: 1.267990905409918
Energy: 1.0207587382463854
Energy: 1.268220904225681
Energy: 1.1566432025299014
Energy: 1.2927657133886532
Energy: 1.3303207480370522
Energy: 1.1562539231628435
Energy: 1.0055047218205615
Energy: 1.2596367867426372
Energy: 1.223629616333455
Energy: 1.2913822181245427
Energy: 1.325229732636214
Energy: 1.2903035840645045
Energy: 1.2245372342669916
Energy: 1.0914923652574957
Energy: 1.080790138042479
Energy: 1.290766145439634
Energy: 1.3254632393312937
Energy: 1.2902601661628048
Energy: 1.080771654980187
Energy: 1.1092299830881531
Energy: 1.0119460084296976
Energy: 1.2927315662999999
Energy: 1.342310148453088
Energy: 1.0122219368362404
Energy: 1.011382470271144
Energy: 1.1088560664562463
Energy: 1.1039008090871933
Energy: 1.315056307553404
Energy: 1.3623822556119793
Energy: 1.107141273456087
Energy: 1.020265211969523
Energy: 1.101439588779767
Energy: 1.1087117837593832
Energy: 1.3262523015711016
Energy: 1.3436320549175145
Energy: 1.1088651724286034
Energy: 1.1092199287627624
Energy: 1.2003723798142256
Energy: 1.1097196475190305
Energy: 1.3149341392693492
Energy: 1.3435320975386993
Energy: 1.1092720769736362
Energy: 1.1105421225902081
Energy: 1.1996683765104101
Energy: 1.1128546040710254
Energy: 1.3433149751370186
Energy: 1.3363114767452378
Energy: 1.113161251766563
Energy: 1.1131405078098096
Energy: 1.195307074996545
Energy: 1.1298301065602743
Energy: 1.3180327467665198
Energy: 1.3421331715820832
Energy: 1.3177893965216387
Energy: 1.1107853033590542
Energy: 1.5407254898594356
Energy: 1.3198074329034735
Energy: 1.3182479815638377
Energy: 1.3367579910185021
Energy: 1.3181577357567815
Energy: 1.3214292453948244
Energy: 1.4381503660153723
Energy: 1.3179894402157113
Energy: 1.3191128396816947
Energy: 1.3743699182200173
Energy: 1.3189790205931704
Energy: 1.1294923781508623
Energy: 1.5404877443879559
Energy: 1.3182105217730902
Energy: 1.3379195197128415
Energy: 1.3560983406927953
Energy: 1.3383596175163137
Energy: 1.31985829128604
Energy: 1.4894534677047564
Energy: 1.3591510875193749
Energy: 1.3431079599422404
Energy: 1.2504189846784346
Energy: 1.3382271222097484
Energy: 1.3378694180274298
Energy: 1.4579941060814934
Energy: 1.338826940307367
Energy: 1.337151370756617
Energy: 1.4115900561923151
Energy: 1.3417248612689046
Energy: 1.3445780930977922
Energy: 1.5561904064831076
Energy: 1.3381133828246852
Energy: 1.3283113728783584
Energy: 1.1940731436379695
Energy: 1.34331463673757
Energy: 1.3417561003595424
Energy: 1.5520637848141012
Energy: 1.3206008755940528
Energy: 1.3210828117036673
Energy: 1.1671936512799237
Energy: 1.3207169089259083
Energy: 1.3387521443018728
Energy: 1.4521697235112436
Energy: 1.3201198415196493
Energy: 1.326838699421543
Energy: 1.185187908611646
Energy: 1.3217506422123693
Energy: 1.3233749610670915
Energy: 1.6364816210262831
Energy: 1.3205401687274867
Energy: 1.1987194264737406
Energy: 1.0199476926209483
Energy: 1.1937100699490473
Energy: 1.3234732455370573
Energy: 1.560655633448104
Energy: 1.2784826783891894
Energy: 1.1663572725049913
Energy: 1.1817284261880667
Energy: 1.165867020414948
Energy: 1.3394888160605833
Energy: 1.5721016199667048
Energy: 1.0127568977197343
Energy: 1.0182081582488287
Energy: 1.0192060393749054
Energy: 1.0184317098781492
Energy: 1.3393278485183415
Energy: 1.660283719656945
Energy: 1.1663705744860833
Energy: 1.1668600115352605
Energy: 1.0215374581571672
Energy: 1.166793384768181
Energy: 1.3245504610095529

minimum gb energy = 1.0037222588833088 eV
minimum distance =  2.29245282630562 Angstroms
sigma value = 43


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

Energy: 2.052329132557084
Energy: 1.1094650792507246
Energy: 1.0931703886022286
Energy: 1.0931589868555123
Energy: 1.0933993053113116
Energy: 1.4705011323710135
Energy: 1.524579287053909
Energy: 1.0927015565275398
Energy: 1.0926874411299723
Energy: 1.0926620583679794
Energy: 1.0927639705410195
Energy: 1.447762125898867
Energy: 1.5347266934861603
Energy: 1.0926085197769322
Energy: 1.1035738778127542
Energy: 1.103926718593185
Energy: 1.1056512127540155
Energy: 1.433854970477258
Energy: 1.5580154892353604
Energy: 1.0925485363458485
Energy: 1.0921325124343892
Energy: 1.0917518667728243
Energy: 1.0921426158268988
Energy: 1.442299443336347
Energy: 1.557757880374822
Energy: 1.2745723581458077
Energy: 1.273559372715952
Energy: 1.0921743295648785
Energy: 1.2750016632886738
Energy: 1.442255546110065
Energy: 1.5342544127910622
Energy: 1.2761203815188393
Energy: 1.0919739100715233
Energy: 1.0919474416085766
Energy: 1.0922902841744542
Energy: 1.4795399975073218
Energy: 1.5644024238650187
Energy: 1.447037376753661
Energy: 1.2733648160780564
Energy: 1.0924125550514459
Energy: 1.2728469736828962
Energy: 1.4588324547269744
Energy: 1.5258320100887035
Energy: 1.44640079192762
Energy: 1.4683583551967234
Energy: 1.3266928878366155
Energy: 1.452036170863928
Energy: 1.4547149935324735
Energy: 1.5380189401186974
Energy: 1.4708826605799437
Energy: 1.4528109258553357
Energy: 1.084069197776748
Energy: 1.4471558954820347
Energy: 1.4468270633248563
Energy: 1.5369242592840469
Energy: 1.4474137791432788
Energy: 1.452299538765753
Energy: 1.305238667127823
Energy: 1.4523143307872444
Energy: 1.45115043219215
Energy: 1.5399761728125085
Energy: 1.4465488410357559
Energy: 1.4768956245654237
Energy: 1.0916019451414547
Energy: 1.4578310358498952
Energy: 1.43562864294347
Energy: 1.536021557298514
Energy: 1.4510093980656162
Energy: 1.4580999487549722
Energy: 1.4552576968822433
Energy: 1.4578417184281338
Energy: 1.3050370950351493
Energy: 1.302868145721098
Energy: 1.3056664087473293
Energy: 1.45810591327988
Energy: 1.4252394801359978
Energy: 1.4466806176346645
Energy: 1.0925542131690906
Energy: 1.3043473576621107
Energy: 1.2720804859156858
Energy: 1.4827943158531558
Energy: 1.092492984871599
Energy: 1.4356547188046112
Energy: 1.0935537879215929
Energy: 1.3080059465908545
Energy: 1.0922629370122356
Energy: 1.4341172167470768
Energy: 1.3054624588886974
Energy: 1.0927796712544335
Energy: 1.092022866556157
Energy: 1.0935792595187868
Energy: 1.2729049442910934
Energy: 1.425080764490926
Energy: 1.4232664600212865
Energy: 1.2720272616061328
Energy: 1.101579754224704
Energy: 1.0930796527807263
Energy: 1.0922306830339952
Energy: 1.434947026248704
Energy: 1.267829736016948
Energy: 1.2758891896329934
Energy: 1.0921425055783214
Energy: 1.1030721590159496
Energy: 1.1028092550244797
Energy: 1.4333707633487502
Energy: 1.305827117721098
Energy: 1.092046221005646
Energy: 1.1029055506957164
Energy: 1.0913767617161445
Energy: 1.0919569813907948
Energy: 1.2749839354923043
Energy: 1.496167234099027
Energy: 1.2743105736260207
Energy: 1.0919154497238852
Energy: 1.0938235195022994
Energy: 1.0928317960569696
Energy: 1.2741233686027256
Energy: 1.4510267738419322
Energy: 1.0924664780925482
Energy: 1.0916767293468357
Energy: 1.3075465695445405
Energy: 1.0921535699685465
Energy: 1.433346166447149
Energy: 1.3058236953709659
Energy: 1.0919270248001691
Energy: 1.0931474524328841
Energy: 1.2983876229252704
Energy: 1.272561697970931
Energy: 1.4580440117427484
Energy: 1.3081362778849326
Energy: 1.4476249363880533
Energy: 1.273362980933755
Energy: 1.3009025146800488
Energy: 1.306278396096281
Energy: 1.4683968658370816
Energy: 1.2688155072830922
Energy: 1.326700252046071
Energy: 1.3050473561205798
Energy: 1.509523974546777
Energy: 1.4471256329726856
Energy: 1.4496623789310232
Energy: 1.3342719096437874
Energy: 1.455144245750214
Energy: 1.2733742779793265
Energy: 1.5356174541762038
Energy: 1.445835570614772
Energy: 1.452799319094643
Energy: 1.3125166337718535
Energy: 1.4574576677813746
Energy: 1.3046887218229384
Energy: 1.5319218964275352
Energy: 1.4574955220757655
Energy: 1.4510690087563352
Energy: 1.2736529864965351
Energy: 1.4468579517125175
Energy: 1.3049625550769781
Energy: 1.509232341441498
Energy: 1.4586407129872332
Energy: 1.4516572782674246
Energy: 1.0920181037704082
Energy: 1.4512823357770164
Energy: 1.4588214877721815
Energy: 1.5082460228549792
Energy: 1.4472639969319432
Energy: 1.3056243919301993
Energy: 1.0926643369090256
Energy: 1.3056679276270209
Energy: 1.4245299650652883
Energy: 1.5633750404011928
Energy: 1.4488999622772323
Energy: 1.2716937679644271
Energy: 1.0920482799173394
Energy: 1.2720249562147523
Energy: 1.4827116636488955
Energy: 1.56333888412299
Energy: 1.433619056325977
Energy: 1.0931512567274306
Energy: 1.0921331866531767
Energy: 1.0928547240142694
Energy: 1.4352719239510763
Energy: 1.5080746531030182
Energy: 1.271468617136044
Energy: 1.2734821436370554
Energy: 1.092966074515773
Energy: 1.272054379532099
Energy: 1.4256270484591334

minimum gb energy = 1.084069197776748 eV
minimum distance =  2.27829474621737 Angstroms
sigma value = 57


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

Energy: 1.8160408290954353
Energy: 1.2215142502353404
Energy: 1.2082777803390594
Energy: 1.2010172560650476
Energy: 1.207797572734036
Energy: 1.221641700811309
Energy: 1.1945078994856688
Energy: 1.4310477984021317
Energy: 1.19785835488753
Energy: 1.1980544896152145
Energy: 1.1976537607660978
Energy: 1.6202757383493167
Energy: 1.4865125453728734
Energy: 1.4499324356793772
Energy: 1.2102254984428973
Energy: 1.2088242218059913
Energy: 1.2111492467652503
Energy: 1.6193813700586772
Energy: 1.4789136421486744
Energy: 1.4296160734422723
Energy: 1.1993171568214465
Energy: 1.199177825775722
Energy: 1.199038153468425
Energy: 1.439673092956456
Energy: 1.478970502086435
Energy: 1.429451714395948
Energy: 1.198831129981063
Energy: 1.1959820203159046
Energy: 1.4237331928037396
Energy: 1.4396675029761337
Energy: 1.4888548819131389
Energy: 1.431906904114819
Energy: 1.4244771912987444
Energy: 1.1983905248159048
Energy: 1.4313751807141666
Energy: 1.4644490357971158
Energy: 1.195418412961255
Energy: 1.6184974709723945
Energy: 1.2013270449245286
Energy: 1.198263702760431
Energy: 1.4249539788744905
Energy: 1.4427989241538848
Energy: 1.4791408444223086
Energy: 1.6186880658205656
Energy: 1.4641088667108693
Energy: 1.1970369931674825
Energy: 1.4711649241237665
Energy: 1.6193473532242297
Energy: 1.1975695553110226
Energy: 1.4458596739599767
Energy: 1.614296827128864
Energy: 1.1916801563487154
Energy: 1.619095873507826
Energy: 1.4511828224052887
Energy: 1.4843669736893008
Energy: 1.4250226616695942
Energy: 1.618350218167021
Energy: 1.1929936474021667
Energy: 1.619434487344394
Energy: 1.1993308024983305
Energy: 1.4885343230409804
Energy: 1.4301533107613233
Energy: 1.6367057111738812
Energy: 1.200701653881553
Energy: 1.4295389767048885
Energy: 1.1981565644274312
Energy: 1.4872498364416877
Energy: 1.4244207201154508
Energy: 1.4292514775735496
Energy: 1.4496181579791994
Energy: 1.4294811050403857
Energy: 1.1987709111001528
Energy: 1.200429893509583
Energy: 1.1992578249734347
Energy: 1.6145215632782208
Energy: 1.6142961905267013
Energy: 1.4285733281990547
Energy: 1.1998771013446954
Energy: 1.2006283030298592
Energy: 1.2085651486464657
Energy: 1.6232620718132074
Energy: 1.20645833406016
Energy: 1.2096858546628473
Energy: 1.2132532352251928
Energy: 1.2002966595056876
Energy: 1.1990886736970978
Energy: 1.4493096332995299
Energy: 1.1994487080751965
Energy: 1.4329900321359392
Energy: 1.1990407876883042
Energy: 1.2027942041723578
Energy: 1.200440749047313
Energy: 1.6162468195937252
Energy: 1.4398765723712497
Energy: 1.2019056505600048
Energy: 1.2013466949969285
Energy: 1.4882727222736614
Energy: 1.4299092880496544
Energy: 1.4325798660364395
Energy: 1.1990122616437415
Energy: 1.430633299441341
Energy: 1.201345331483424
Energy: 1.4890565100303934
Energy: 1.429554838346121
Energy: 1.463540248002547
Energy: 1.2003306511028558
Energy: 1.4298857740755266
Energy: 1.2001957142943145
Energy: 1.2068595174074677
Energy: 1.4254734477121833
Energy: 1.6184516460872735
Energy: 1.4433351787161874
Energy: 1.6187326864881695
Energy: 1.1999610545440116
Energy: 1.1951310018788983
Energy: 1.4431951036898345
Energy: 1.618279708714378
Energy: 1.44287804471966
Energy: 1.6194815691545714
Energy: 1.4454299095577727
Energy: 1.7706414574548046
Energy: 1.618352208959158
Energy: 1.4425024990370818
Energy: 1.207058913587517
Energy: 1.4430497521385315
Energy: 1.1910767661285544
Energy: 1.4839006749690808
Energy: 1.6194417113755752
Energy: 1.4249434378412575
Energy: 1.1992839654713565
Energy: 1.429206666774735
Energy: 1.443101382938979
Energy: 1.2064134084883662
Energy: 1.6210029663214305
Energy: 1.4296373263435695
Energy: 1.1985144073593863
Energy: 1.1993568321605848
Energy: 1.6194885803956225
Energy: 1.1912923240378979
Energy: 1.4296217389144803
Energy: 1.1987793033876466
Energy: 1.1967480028187585
Energy: 1.2012464338474542
Energy: 1.614576053008291

minimum gb energy = 1.1910767661285544 eV
minimum distance =  2.27175932398471 Angstroms
sigma value = 17


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

Energy: 2.4117813844469786
Energy: 1.8372854971869508
Energy: 1.354450258887543
Energy: 1.3371577398837091
Energy: 1.6118332699470428
Energy: 1.8367204343702495
Energy: 1.3191445460689901
Energy: 1.624285922443753
Energy: 1.3285993306260073
Energy: 1.3275461396042805
Energy: 1.3280449777700096
Energy: 1.3332048419070848
Energy: 1.3345516065589111
Energy: 1.6235192387889406
Energy: 1.3274441124485505
Energy: 1.3299991909162812
Energy: 1.335237015699225
Energy: 1.6124764535854776
Energy: 1.3237448396915825
Energy: 1.6105412997326392
Energy: 1.333261401743201
Energy: 1.3365275135674244
Energy: 1.3322535989182631
Energy: 1.6279596600700748
Energy: 1.3236243092197513
Energy: 1.628094414302592
Energy: 1.3331434530330981
Energy: 1.3365096038213637
Energy: 1.608721538695603
Energy: 1.4287646956769464
Energy: 1.3537886238736518
Energy: 1.4257992207568413
Energy: 1.6224614763066827
Energy: 1.3147386713750515
Energy: 1.6237331178452854
Energy: 1.6140690470351164
Energy: 1.3351115888571652
Energy: 1.3323904911061297
Energy: 1.6100727139546396
Energy: 1.3347564022554121
Energy: 1.6106494463705587
Energy: 1.3322915139909763
Energy: 1.334448085478177
Energy: 1.6225177432642277
Energy: 1.6126057359021349
Energy: 1.334048737859489
Energy: 1.6287312104207285
Energy: 1.3331130589037028
Energy: 1.3347562995867575
Energy: 1.6127641337144156
Energy: 1.837377892137715
Energy: 1.3199516774109405
Energy: 1.6105767274677982
Energy: 1.3542688021653184
Energy: 1.3291036300762555
Energy: 1.3301831117948382
Energy: 1.4283203370714388
Energy: 1.3204025351088926
Energy: 1.3315252028426947
Energy: 1.3303087605768826
Energy: 1.3283548515175758
Energy: 1.3366101594822635
Energy: 1.6227699166689769
Energy: 1.3537927393191427
Energy: 1.3337452884103318
Energy: 1.3364673781522218
Energy: 1.3300439185586224
Energy: 1.3317975878012676
Energy: 1.4281596651888728
Energy: 1.304975327866734
Energy: 1.6090557352006347
Energy: 1.331887926339759
Energy: 1.3354629361771684
Energy: 1.6102071601075632
Energy: 1.610532542478471
Energy: 1.3044930692707248
Energy: 1.6104114594147632
Energy: 1.354031577345418
Energy: 1.31563857501153
Energy: 1.6252139997058743
Energy: 1.4259780247486298
Energy: 1.3542878154007891
Energy: 1.6240123043106016
Energy: 1.314306675837542
Energy: 1.3357568783495795
Energy: 1.6070092826663502
Energy: 1.3323300373363107
Energy: 1.3345690900714153
Energy: 1.4266757611539604
Energy: 1.332657135496905
Energy: 1.3536687737720778
Energy: 1.4255997946453796
Energy: 1.6248548020919495
Energy: 1.3298851156566946
Energy: 1.6241851276898762
Energy: 1.353766937424521
Energy: 1.3199522157234516
Energy: 1.6291416466619824
Energy: 1.3328230413012379
Energy: 1.3358851328306036
Energy: 1.6060971046672425
Energy: 1.3205397739274187

minimum gb energy = 1.3044930692707248 eV
minimum distance =  2.27783837785491 Angstroms
sigma value = 17


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

Energy: 1.7977202257245117
Energy: 1.3715413538025414
Energy: 1.3870383243681674
Energy: 1.6048843743327932
Energy: 1.409540494403789
Energy: 1.959656278994783
Energy: 1.4212767993733808
Energy: 1.5728365300922347
Energy: 1.3822753554933267
Energy: 1.382572740957826
Energy: 1.3820696842262166
Energy: 1.7439871985943383
Energy: 1.3860588172661479
Energy: 1.5755078286991702
Energy: 1.3876033764865234
Energy: 1.3866314953084993
Energy: 1.386487732949056
Energy: 1.3621524599877064
Energy: 1.967403509544343
Energy: 1.7839931842680126
Energy: 1.395724307244794
Energy: 1.3859192527137738
Energy: 1.3857228963870032
Energy: 1.580503843559906
Energy: 1.4570291561566389
Energy: 1.7165526399046407
Energy: 1.5747695173402465
Energy: 1.3858558025191405
Energy: 1.7814177741645525
Energy: 1.5798149432526898
Energy: 1.3936566287863867
Energy: 1.3921997276800477
Energy: 1.8660222890528946
Energy: 1.3476368024130532
Energy: 1.7834943484691592
Energy: 1.3876699735172218
Energy: 1.3931705123041613
Energy: 1.3878599297817198
Energy: 1.5738687519833707
Energy: 1.3861936043071763
Energy: 1.3840168340891674
Energy: 1.3874507183887381
Energy: 1.3838302361852723
Energy: 1.382392096300054
Energy: 1.5784948433409254
Energy: 1.403984909656082
Energy: 1.3837872419108694
Energy: 1.3827231096792667
Energy: 1.3841966105042696
Energy: 1.3857107415788714
Energy: 1.349774157761395
Energy: 1.381673543852019
Energy: 1.3856963340288029
Energy: 1.3839955572189666
Energy: 1.5988051110439856
Energy: 1.3819634443200297
Energy: 1.572069424757865
Energy: 1.449376981634912
Energy: 1.5707184839420283
Energy: 1.383522080728429
Energy: 1.5993349703757305
Energy: 1.571567904728502
Energy: 1.3520955593583994
Energy: 1.3868703883396816
Energy: 1.5742761912875323
Energy: 1.3820485901443886
Energy: 1.6095210596641738
Energy: 1.3838818147425724
Energy: 1.5115010740888
Energy: 1.3504284156486424
Energy: 1.6336071270189554
Energy: 1.38533864568178
Energy: 1.4536745583023614
Energy: 1.7927710045944512
Energy: 1.6321560497591672
Energy: 1.3494115551534562
Energy: 1.794000089424202
Energy: 1.6082578554740383
Energy: 2.1502327918858954
Energy: 1.3498043752725688
Energy: 1.3623243763446693
Energy: 1.3483308431522907
Energy: 1.6718791025484023
Energy: 1.3538255901463032
Energy: 1.6266976004141696
Energy: 1.6862942814897575
Energy: 1.3488161575975783
Energy: 1.354626891084874
Energy: 1.3479967494133578
Energy: 1.7434960858025998
Energy: 1.4504387379721706
Energy: 1.3537951659050333
Energy: 1.353615275254505
Energy: 1.356953956363438
Energy: 1.3563833634808293
Energy: 1.3869705084458068
Energy: 1.9681234900293487
Energy: 1.3520627788045794
Energy: 1.3590002078188341
Energy: 1.3677920566157489
Energy: 1.3513079465661932
Energy: 1.57202928996856
Energy: 1.9678533487543817
Energy: 1.6314076178679118
Energy: 1.349430169579256
Energy: 1.366470494222616
Energy: 1.5131596891774493
Energy: 1.5716439320279592
Energy: 1.601733800819755
Energy: 1.6214006758809567
Energy: 1.7911790442716895
Energy: 1.3558009930347
Energy: 1.7900254174155168
Energy: 1.3853124800205678
Energy: 1.6017439710391739
Energy: 1.3820026964842478
Energy: 1.3489614981451314
Energy: 1.3659482370852145
Energy: 1.57128666310884
Energy: 1.3831467831757214
Energy: 1.599623656335654
Energy: 1.572854095950493
Energy: 1.5872600280666236
Energy: 1.395850273837384
Energy: 1.576095854690785
Energy: 1.5726973882614013
Energy: 1.4529385846705216
Energy: 1.3840767763484418
Energy: 1.3451891960915816
Energy: 1.4113584372657848
Energy: 1.3826668799730697
Energy: 1.3838567517882079
Energy: 1.383772154529848
Energy: 1.382841576822691
Energy: 1.384304013661625
Energy: 1.3460282454302226
Energy: 1.383510005637923
Energy: 1.3834402134572839
Energy: 1.389355157350258
Energy: 1.386143666183641
Energy: 1.5786032624502373
Energy: 1.3909687070624914
Energy: 1.3869833410786674
Energy: 1.3868256117050664
Energy: 1.3983218483013546
Energy: 1.383842631532446
Energy: 1.7169890043659013
Energy: 1.350328298602228
Energy: 1.7814180312791055
Energy: 1.394542805558498
Energy: 1.3869988862254206
Energy: 1.6532852382732046
Energy: 1.886689270268637
Energy: 1.3503897055410468
Energy: 1.7849063138983756
Energy: 1.3881103167664417
Energy: 1.3548748727779032
Energy: 1.7834473555532753
Energy: 1.429186020188272
Energy: 1.387107927463423
Energy: 1.784821690256292
Energy: 1.8677246466332431
Energy: 2.155284433483079
Energy: 1.7837316754379913
Energy: 1.3926578025495726
Energy: 1.399862182074631
Energy: 1.3853547122776917
Energy: 1.5733964724129852
Energy: 1.3909560283571791
Energy: 1.386446746688157
Energy: 1.3870324217011256
Energy: 1.3869886828459617
Energy: 1.3865791407673052
Energy: 1.3519787277617146
Energy: 1.9658811697903649
Energy: 1.3834324573696113
Energy: 1.3837687774706342
Energy: 1.386107606143931
Energy: 1.3837354877846029
Energy: 1.7403565107631562
Energy: 1.968444020264409
Energy: 1.384615101775981
Energy: 1.3847077410540656
Energy: 1.4518572512479053
Energy: 1.3842370334910665
Energy: 1.7375065357467512
Energy: 1.3890249082064154
Energy: 1.5792248196965313
Energy: 1.5735692361237033
Energy: 1.3827937639314867
Energy: 1.5775505772353844
Energy: 1.3499802007360986
Energy: 1.5812161212588602
Energy: 1.3545559102149725
Energy: 1.3834106179241472
Energy: 1.3869686412258397
Energy: 1.382527049884682
Energy: 1.3500730351040533
Energy: 1.9713371414348315
Energy: 1.79290156628722
Energy: 1.5901798097696567
Energy: 1.450226159383126
Energy: 1.794125550072827
Energy: 1.7931805704176216
Energy: 1.3865856578010558
Energy: 1.3547091927421946
Energy: 1.7614863804941931
Energy: 1.3504939811139214
Energy: 1.6367032082334734
Energy: 1.3493101758537662
Energy: 1.3647106322515574
Energy: 1.3499709692061403
Energy: 1.7966482611752548
Energy: 1.3504438385134523
Energy: 1.5145334492091396
Energy: 1.3584361717848763
Energy: 1.3567124473324137
Energy: 1.3566009629325946
Energy: 1.7496426488042855
Energy: 1.450583910403355
Energy: 1.3569108557047667
Energy: 1.356773664530746
Energy: 1.360911031061621
Energy: 1.3495518383408462
Energy: 1.743435165732663
Energy: 1.3865516160519697
Energy: 1.5121682219321428
Energy: 1.356634774036091
Energy: 1.3480107105167285
Energy: 1.3501215918506562
Energy: 1.783336926883685
Energy: 1.3830791812777643
Energy: 1.3518223271261638
Energy: 1.387885992417449
Energy: 1.7804078798788756
Energy: 1.7902509012125105
Energy: 1.7926614395574327
Energy: 1.45224900702041
Energy: 1.7931542159674567
Energy: 1.3476588107040963
Energy: 1.5839143508449143
Energy: 1.510772906111526
Energy: 1.3844196504806427
Energy: 1.6084165858440558
Energy: 1.5881473607613183
Energy: 1.348933038159835
Energy: 1.5783678169193014
Energy: 1.6061809101876412
Energy: 1.5715199517375187
Energy: 1.383645196305318
Energy: 1.5716773949309844
Energy: 1.3504546439895524
Energy: 1.7774686021855803
Energy: 1.3848912412456997
Energy: 1.3827150183431995
Energy: 1.3848413707637885
Energy: 1.3821370173122647
Energy: 1.7037669127379913

minimum gb energy = 1.3451891960915816 eV
minimum distance =  2.20690093758921 Angstroms
sigma value = 57


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

Energy: 2.0789545339509075
Energy: 1.9916544631642044
Energy: 1.414456112427055
Energy: 1.6046828086030613
Energy: 1.4181894087950224
Energy: 1.9909222102971216
Energy: 1.4828566188480725
Energy: 1.658128141673123
Energy: 1.3995068677565967
Energy: 1.3987832493314527
Energy: 1.3989156294512095
Energy: 1.6603926281107284
Energy: 1.4155981917665303
Energy: 1.4308758822038603
Energy: 1.3995180387249468
Energy: 1.3985373107328416
Energy: 1.3992027112579835
Energy: 1.606389374615306
Energy: 1.7574467906570408
Energy: 1.8619852427774926
Energy: 1.4037485691845992
Energy: 1.4115972893534339
Energy: 1.405273677731314
Energy: 1.636463879946003
Energy: 1.7558786966725577
Energy: 1.8606338132941609
Energy: 1.6286621236597842
Energy: 1.3701662514985822
Energy: 1.632819559445921
Energy: 1.6347618837076479
Energy: 1.4079400422173016
Energy: 1.408247662722391
Energy: 1.8449838465608763
Energy: 1.3561511142774143
Energy: 1.6268757009664103
Energy: 1.4090206318368
Energy: 1.4007909779617658
Energy: 1.4002984006799275
Energy: 1.629057510728165
Energy: 1.4059050879454447
Energy: 1.400648557653702
Energy: 1.4003057839941286
Energy: 1.400185975511496
Energy: 1.4013863926084988
Energy: 1.6581905299838522
Energy: 1.4116677186687452
Energy: 1.4002111184459405
Energy: 1.4005486743328053
Energy: 1.40704018458104
Energy: 1.403442070535838
Energy: 1.873618211601911
Energy: 1.3997966091542815
Energy: 1.4024042243374775
Energy: 1.403273270748465
Energy: 1.7576731850192835
Energy: 1.4000761758247873
Energy: 1.6578806906662495
Energy: 1.4019876770383115
Energy: 1.6578174382732553
Energy: 1.4006843472266983
Energy: 1.4466061894776883
Energy: 1.6611229484143084
Energy: 1.4067131257223904
Energy: 1.4209651881749479
Energy: 1.6588602464884714
Energy: 1.656974479384912
Energy: 1.4150458578154865
Energy: 1.4021247304352773
Energy: 1.4009177834020123
Energy: 1.401870902455418
Energy: 1.6645723073666128
Energy: 1.402180394056038
Energy: 1.429037154693097
Energy: 1.6583948608612806
Energy: 1.4006184089650688
Energy: 1.4018212586053247
Energy: 1.6642396171856488
Energy: 1.5972909586672621
Energy: 2.058662762694975
Energy: 1.4005591219938947
Energy: 1.4111584088443354
Energy: 1.4183934017888822
Energy: 1.400890788127109
Energy: 1.3549500316906096
Energy: 1.4468796073219075
Energy: 1.6580716459955533
Energy: 1.3995992507683936
Energy: 1.3998740220503154
Energy: 1.3990842265527854
Energy: 1.6578300383758096
Energy: 1.4169844525214055
Energy: 1.4290326356850533
Energy: 1.3996039403599214
Energy: 1.3984777640135369
Energy: 1.399299134374286
Energy: 1.4275867218024576
Energy: 1.7543091701216351
Energy: 1.860257168020077
Energy: 1.4065148229767193
Energy: 1.4137589627499836
Energy: 1.4045322851356223
Energy: 1.6374461130254012
Energy: 1.7564601185073612
Energy: 1.8600022312103124
Energy: 1.6288880261196619
Energy: 1.4128179034181536
Energy: 1.6329120652916482
Energy: 1.6365445823697897
Energy: 1.4108483466892956
Energy: 1.5942179295678753
Energy: 1.844623118715548
Energy: 1.8395473770141195
Energy: 1.630620640753004
Energy: 1.4066111534114891
Energy: 1.4005387296119938
Energy: 1.4005849622711366
Energy: 1.6296545512652851
Energy: 1.4055009460505568
Energy: 1.6370973711707963
Energy: 1.4006176924781342
Energy: 1.40047824762363
Energy: 1.3998471784323678
Energy: 1.6574984307857659
Energy: 1.4099753839868745
Energy: 1.4073292807677327
Energy: 1.400811046313194
Energy: 1.4108206204664453
Energy: 1.4021117372010055
Energy: 1.860667020608637
Energy: 1.400912709107435
Energy: 1.4005449059322197
Energy: 1.4027628210141667
Energy: 1.4136893721035244
Energy: 1.401447834839765
Energy: 1.6583938569999888
Energy: 1.4005544824112226
Energy: 1.6581201535209882
Energy: 1.4013349805712865
Energy: 1.4482362779363231
Energy: 1.6622269733214703
Energy: 1.4087809508805011
Energy: 1.4220066005824272
Energy: 1.656930001301792
Energy: 1.6572032813715167
Energy: 1.4120764897388838
Energy: 1.400276109891825
Energy: 1.4008540403936518
Energy: 1.4027217665405027
Energy: 1.6584281518912485
Energy: 1.4009030658314452
Energy: 1.4323558935189693
Energy: 1.6589824310630013
Energy: 1.658448280625285
Energy: 1.4020935802159147
Energy: 1.6640144544754292
Energy: 1.4156962581410504
Energy: 2.07068367320902
Energy: 1.4004432864717078
Energy: 1.4015371035486661
Energy: 1.4170810130829685
Energy: 1.4017556004055485
Energy: 1.8432004907921178

minimum gb energy = 1.3549500316906096 eV
minimum distance =  2.20500971237421 Angstroms
sigma value = 43


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

Energy: 2.5846151200504233
Energy: 1.4480959817742174
Energy: 1.4583505857586752
Energy: 1.4588456666523837
Energy: 1.4599619794455982
Energy: 1.8698588286556705
Energy: 1.4995574520147907
Energy: 1.4502821261474554
Energy: 1.4510517180997273
Energy: 1.4496793641453987
Energy: 1.4511788822939669
Energy: 1.6598624679595615
Energy: 1.4917614922965439
Energy: 1.5050865682076877
Energy: 1.4502915751694911
Energy: 1.4478613761438832
Energy: 1.4516716733248907
Energy: 1.4131166604890804
Energy: 1.7209266393926017
Energy: 1.8344080107741652
Energy: 1.4566869084428395
Energy: 1.4568246564756693
Energy: 1.4564361651239774
Energy: 1.4064328062537528
Energy: 1.7198909436469774
Energy: 1.4088730020492979
Energy: 1.772509835346541
Energy: 1.4980257728106132
Energy: 1.7722690796344462
Energy: 1.4089735847450238
Energy: 1.4168712840803037
Energy: 1.4205227514004013
Energy: 1.857441971800992
Energy: 1.3968369834883212
Energy: 1.6596185941011679
Energy: 1.4197921304674093
Energy: 1.406208605286571
Energy: 1.409784222909185
Energy: 1.771706733738454
Energy: 1.4538574234256498
Energy: 1.4088657002905214
Energy: 1.4092837280623542
Energy: 1.4073179548016819
Energy: 1.4064217659101763
Energy: 1.7717622947100065
Energy: 1.540152213628961
Energy: 1.4062100647992495
Energy: 1.4068101853973352
Energy: 1.4156757959569302
Energy: 1.4204213183715348
Energy: 1.8369374712575435
Energy: 1.3988144694753277
Energy: 1.4105163848676185
Energy: 1.4199791603443022
Energy: 1.834687964163834
Energy: 1.4104432003156222
Energy: 1.6579011001601118
Energy: 1.5391720812372571
Energy: 1.817114171015747
Energy: 1.4118575489696843
Energy: 1.945158680476195
Energy: 1.8343038103240514
Energy: 1.4559541739635746
Energy: 1.4552305485712247
Energy: 1.4559302917489645
Energy: 1.4014606257079167
Energy: 1.7221025662836082
Energy: 1.836478061182381
Energy: 1.4484381450195027
Energy: 1.4525531318538987
Energy: 1.4485857824423003
Energy: 1.4124583283370042
Energy: 1.4123262079405563
Energy: 1.4500688569209166
Energy: 1.4487764168721842
Energy: 1.4497920335621737
Energy: 1.4484957767882987
Energy: 1.7370802824167724
Energy: 1.7174801372670636
Energy: 1.45106542862477
Energy: 1.4573271785921447
Energy: 1.4558969636172936
Energy: 1.4569354733110158
Energy: 1.8329729066166862
Energy: 1.5372237216715925
Energy: 1.6579878584298384
Energy: 1.4491699415572101
Energy: 1.4528092679590525
Energy: 1.657780871941522
Energy: 1.6583497526946869
Energy: 1.7216929614496779
Energy: 1.4503940666484871
Energy: 1.6589910053238637
Energy: 1.449888894795571
Energy: 1.6566677509177257
Energy: 1.456792534018204
Energy: 1.7218189526529846
Energy: 1.6569361374360274
Energy: 1.4555961711098333
Energy: 1.4917284298431257
Energy: 1.582783498619485
Energy: 1.449009756587338
Energy: 1.720853687074718
Energy: 1.4484697502353192
Energy: 1.6571461168288004
Energy: 1.492174990045789
Energy: 1.6574118484704567
Energy: 1.4502420602829167
Energy: 1.4558475489452198
Energy: 1.4585561481554898
Energy: 1.4483334890031605
Energy: 1.464786917335026
Energy: 1.4628800851935864
Energy: 1.458508718144183
Energy: 1.448490701340346
Energy: 1.4520802743710604
Energy: 1.657720695367992
Energy: 1.4159277948675972
Energy: 1.450281047174105
Energy: 1.4500485649168948
Energy: 1.4462844699758326
Energy: 1.45132958886889
Energy: 1.4140898469948615
Energy: 1.4918857195444886
Energy: 1.451453916966582
Energy: 1.4506891775828348
Energy: 1.456135570217884
Energy: 1.4562884143120445
Energy: 1.6128878356528362
Energy: 1.4088104951757234
Energy: 1.8331516655373454
Energy: 1.4568449501892828
Energy: 1.4978677158589397
Energy: 1.7730854721627107
Energy: 1.4124077452049855
Energy: 1.4529071290178082
Energy: 1.6128199509538241
Energy: 1.7720612911635878
Energy: 1.941060451334643
Energy: 1.4111604352588105
Energy: 1.4199859461288573
Energy: 1.4174640903856264
Energy: 1.4149425318054532
Energy: 1.8579603192194134
Energy: 1.4531561779486035
Energy: 1.6093332490211798
Energy: 1.4092522671020271
Energy: 1.4076376011551375
Energy: 1.40918628503303
Energy: 1.6525295814291814
Energy: 1.4544686909196827
Energy: 1.6074863872767289
Energy: 1.4069412401398538
Energy: 1.4086285829701566
Energy: 1.406649934254855
Energy: 1.6540501499608884
Energy: 1.7171069672044543
Energy: 1.839248942439728
Energy: 1.420212775410435
Energy: 1.4177551839758493
Energy: 1.419329731656342
Energy: 1.398482541573357
Energy: 1.6494063774954735
Energy: 1.6583353472152986
Energy: 1.4105590048417807
Energy: 1.453961580127483
Energy: 1.4076177148940388
Energy: 1.7713906088597235
Energy: 1.4549962669022467
Energy: 1.4570978291002457
Energy: 1.8410288674128221
Energy: 1.4005985076774705
Energy: 1.8340338344596776
Energy: 1.4556789829014838
Energy: 1.4514971954547646
Energy: 1.448337327160976
Energy: 1.414029459841514
Energy: 1.450301089161869
Energy: 1.4513350510821499
Energy: 1.448664439199823
Energy: 1.4481742687017445
Energy: 1.4485360377155507
Energy: 1.657026461316494
Energy: 1.4125470547557775
Energy: 1.4499207362584636
Energy: 1.4488670799007686
Energy: 1.4557587060768702
Energy: 1.4575182569041008
Energy: 1.4020472989236947
Energy: 1.3956753748645228
Energy: 1.4556927994455755
Energy: 1.4570165756303899
Energy: 1.7197071319653643
Energy: 1.448297466262559
Energy: 1.657755313984619
Energy: 1.5377596170067072
Energy: 1.657132799534926
Energy: 1.4509074308251262
Energy: 1.722507490676275
Energy: 1.6589910259091458
Energy: 1.4549671878491532
Energy: 1.7239069883496763
Energy: 1.5815270383047413
Energy: 1.4479812007214063
Energy: 1.4920588182560612
Energy: 1.4490108495276226
Energy: 1.4491615545469743
Energy: 1.451186782039318
Energy: 1.65687307895404
Energy: 1.4561523072302462
Energy: 1.4995574515527292
Energy: 1.6571167298557166
Energy: 1.4501138921522627
Energy: 1.4503408019664825
Energy: 1.6570697644757506
Energy: 1.6994499407037227

minimum gb energy = 1.3956753748645228 eV
minimum distance =  2.23818987144119 Angstroms
sigma value = 81


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

Energy: 1.422282514982829
Energy: 1.4241461054133213
Energy: 1.4646784665674786
Energy: 1.4607113427107028
Energy: 1.7501590884917064
Energy: 1.4253147857261097
Energy: 1.4232225972325057
Energy: 1.5387893077632535
Energy: 1.4659237044935667
Energy: 1.4663433451060666
Energy: 1.4669278207417535
Energy: 1.5375994968628206
Energy: 1.5383310859583863
Energy: 1.5370068058869297
Energy: 1.4662110699122317
Energy: 1.4597069696139668
Energy: 1.466420396046366
Energy: 1.537475227067974
Energy: 1.5370451547730024
Energy: 1.5370661843878952
Energy: 1.4648848521920643
Energy: 1.465669654547495
Energy: 1.5398183168469832
Energy: 1.5370563948802483
Energy: 1.5369391818795808
Energy: 1.538966716718089
Energy: 1.5369529368506873
Energy: 1.4230993286497802
Energy: 1.5378326439458705
Energy: 1.5372359879685285
Energy: 1.4662631457317519
Energy: 1.4661036655810893
Energy: 1.4228469435696478
Energy: 1.426524351033939
Energy: 1.5376425951250257
Energy: 1.4648413043551323
Energy: 1.463898279584792
Energy: 1.467484798453681
Energy: 1.5371620823364718
Energy: 1.5367235314166103
Energy: 1.5403130639063798
Energy: 1.4655110451842552
Energy: 1.4624073323403584
Energy: 1.465722839384161
Energy: 1.5371472476424288
Energy: 1.5368062108498313
Energy: 1.538067936574795
Energy: 1.4675622416199068
Energy: 1.4673201234565858
Energy: 1.4646667903544799
Energy: 1.537404234765919
Energy: 1.537294485742846
Energy: 1.537243226495019
Energy: 1.4657819247473016
Energy: 1.4226521023279093
Energy: 1.536798908831983
Energy: 1.5371453131411603
Energy: 1.5370221136264108
Energy: 1.5380614743681549
Energy: 1.537048445821606

minimum gb energy = 1.422282514982829 eV
minimum distance =  2.28194477239366 Angstroms
sigma value = 3


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

Energy: 1.7542574386925633
Energy: 1.48765025084566
Energy: 1.3984182580689313
Energy: 1.4027031911436525
Energy: 1.3981917886146855
Energy: 1.4335521764717223
Energy: 1.5833625876546262
Energy: 1.4040801744035383
Energy: 1.6082733981002952
Energy: 1.6002858968584333
Energy: 1.4016080074068415
Energy: 1.4039625844021202
Energy: 1.5974972595885906
Energy: 1.4853634018737607
Energy: 1.608374120404675
Energy: 1.6002738679054336
Energy: 1.4040291019067763
Energy: 1.6002282778471408
Energy: 1.5967975620681911
Energy: 1.606528680127054
Energy: 1.599484267569647
Energy: 1.5980251308665263
Energy: 1.486912502951659
Energy: 1.6089955264093039
Energy: 1.6005398074902688
Energy: 1.6087324597387236
Energy: 1.4047224692628133
Energy: 1.7804789322252046
Energy: 1.608512832444036
Energy: 1.5978718046235296
Energy: 1.6654880515158874
Energy: 1.651949879573815
Energy: 1.3877852297172713
Energy: 1.38815511189198
Energy: 1.6056889325695047
Energy: 1.4859418338630717
Energy: 1.78116679188578
Energy: 1.6080981823750686
Energy: 1.6618016218334442
Energy: 1.3976889207892425
Energy: 1.606810856069562
Energy: 1.609306360612518
Energy: 1.7829513025749322
Energy: 1.6065494881104359
Energy: 1.4007724863053792
Energy: 1.3981468425550387
Energy: 1.4034212597581261
Energy: 1.6082791402933114
Energy: 1.7531608797265197
Energy: 1.4051821817868106
Energy: 1.402444005759614
Energy: 1.3991085439313031
Energy: 1.4020504615829343
Energy: 1.7837448638450333
Energy: 1.7827999265585566
Energy: 1.5008485083758927
Energy: 1.3983003440886232
Energy: 1.395611734604131
Energy: 1.400017932985802
Energy: 1.3995061359050016
Energy: 1.7487645594084364
Energy: 1.502899555051717
Energy: 1.6033378661798616
Energy: 1.3970023791033912
Energy: 1.3976158205273517
Energy: 1.6004124145020224
Energy: 1.6139144202663664
Energy: 1.4922968054639894
Energy: 1.400646995158207
Energy: 1.7169759248517378
Energy: 1.4050445572814545
Energy: 1.4745632736748593
Energy: 1.3977206704746856
Energy: 1.402168037968094
Energy: 1.4015018870688332
Energy: 1.7172479662311044
Energy: 1.4003433266569651
Energy: 1.4036290670238236
Energy: 1.393721877530784
Energy: 1.403311226395946
Energy: 1.4034023952081214
Energy: 1.7822727734641073
Energy: 1.4048805685308257
Energy: 1.4058356560718828
Energy: 1.3969868960716365
Energy: 1.40037726917037
Energy: 1.3987575919590698
Energy: 1.754443137934054
Energy: 1.4769212619048226
Energy: 1.4010179406455645
Energy: 1.4005802939754224
Energy: 1.4681761768562718
Energy: 1.6079531135731981
Energy: 1.5987808184128907
Energy: 1.6066423948855164
Energy: 1.40239767410196
Energy: 1.7160065890193505
Energy: 1.4008820835903515
Energy: 1.5997711851011132
Energy: 1.7526166752770957
Energy: 1.5983824782545186
Energy: 1.375652520214422
Energy: 1.7174204552382624
Energy: 1.401560877213404
Energy: 1.5976424359053891
Energy: 1.5969061189306402
Energy: 1.4005124627726866
Energy: 1.3763729205134754
Energy: 1.5983466269538833
Energy: 1.4034233659914301
Energy: 1.613348666246843
Energy: 1.6044604380681609
Energy: 1.6060585120858253
Energy: 1.5999344698372358
Energy: 1.5967947280691799
Energy: 1.4049413119919234
Energy: 1.3994200333970375
Energy: 1.5971964706560344
Energy: 1.4857769881068594
Energy: 1.6069742372412226
Energy: 1.596661050839006
Energy: 1.607563857691767
Energy: 1.4050468844618025
Energy: 1.3972958348663294
Energy: 1.607887086719673
Energy: 1.608114191613146
Energy: 1.5994112765372888
Energy: 1.5992385301770484
Energy: 1.4873669577800694
Energy: 1.3873864920354777
Energy: 1.6002268360061616
Energy: 1.5990383835201403
Energy: 1.7542639670937685
Energy: 1.5980529735780507
Energy: 1.477002925297657
Energy: 1.7803187647014265
Energy: 1.6622262818293339
Energy: 1.59746707800813
Energy: 1.7823029208366608
Energy: 1.8530067213556263
Energy: 1.401156701612927
Energy: 1.3955978744290602
Energy: 1.4794817050426985
Energy: 1.7949904841654436
Energy: 1.7544375970509958
Energy: 1.4762866121389522
Energy: 1.401302162708582
Energy: 1.4028752695568796
Energy: 1.4023634963503078
Energy: 1.598293224814848
Energy: 1.7897529134392134
Energy: 1.407365739516859
Energy: 1.4013157423529348
Energy: 1.40162940730714
Energy: 1.4009554714881212
Energy: 1.6857028611330849
Energy: 1.7495011211016989
Energy: 1.5037316912133074
Energy: 1.396750556263296
Energy: 1.39626411193727
Energy: 1.3971030734429908
Energy: 1.601481027708412
Energy: 1.7885668154318815
Energy: 1.4994934616954647
Energy: 1.3990625464885165
Energy: 1.7191201907167766
Energy: 1.397459371357046
Energy: 1.3980154619841778
Energy: 1.3987729469069292
Energy: 1.3994964337102411
Energy: 1.3773106432979871
Energy: 1.4100115464516636
Energy: 1.4887776996989084
Energy: 1.4004863730718642
Energy: 1.3980577497794635
Energy: 1.403258053454101
Energy: 1.407924667216577
Energy: 1.6014727498623804
Energy: 1.4060316634234176
Energy: 1.4023120645899243
Energy: 1.3989630965522515
Energy: 1.4027386145674947
Energy: 1.6052634366981111
Energy: 1.752630934877204
Energy: 1.4030214363461662
Energy: 1.4025711177161058
Energy: 1.3996335625816512
Energy: 1.4034779008027636
Energy: 1.6604251315374947
Energy: 1.6047777879758267
Energy: 1.8510646782094218
Energy: 1.4034309665725209
Energy: 1.7814664249997436
Energy: 1.4762827910763934
Energy: 1.5974731071882486
Energy: 1.7538956287824945
Energy: 1.4013955978039399
Energy: 1.3764092805385666

minimum gb energy = 1.375652520214422 eV
minimum distance =  2.28329595456002 Angstroms
sigma value = 67


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

Energy: 1.8840256067498835
Energy: 1.3416006146188464
Energy: 1.3426602046959502
Energy: 1.342719652578503
Energy: 1.3440826376561494
Energy: 1.3434192773511087
Energy: 1.3277666059216966
Energy: 1.3983275509887667
Energy: 1.6010224106720592
Energy: 1.5793729111623898
Energy: 1.3416763406942342
Energy: 1.6569000785229446
Energy: 1.5791457893026786
Energy: 1.4035641112909707
Energy: 1.605869024029925
Energy: 1.5810034517698903
Energy: 1.3453348904701028
Energy: 1.5777771265341602
Energy: 1.5824250670233089
Energy: 1.6090785312515072
Energy: 1.3978237340189106
Energy: 1.5810295059814248
Energy: 1.4034427362990916
Energy: 1.6002335522721987
Energy: 1.5854810523421716
Energy: 1.599038950685864
Energy: 1.3393837556823458
Energy: 1.3441808890753557
Energy: 1.599681362110337
Energy: 1.5771944758059704
Energy: 1.586091260124886
Energy: 1.3452681812474934
Energy: 1.6310246089980345
Energy: 1.5912784785206069
Energy: 1.5848423493938135
Energy: 1.346023203435049
Energy: 1.8182788553831546
Energy: 1.6009416680902229
Energy: 1.6551861116068198
Energy: 1.3354365704752862
Energy: 1.8071487914478996
Energy: 1.6030521435705138
Energy: 1.821028906944388
Energy: 1.6006276134942616
Energy: 1.3424248059344626
Energy: 1.33569457254612
Energy: 1.3465601474872317
Energy: 1.8597073322963018
Energy: 1.6306964265491126
Energy: 1.3447965217963378
Energy: 1.3513302640117149
Energy: 1.3377190879931362
Energy: 1.3463463033279712
Energy: 1.8385270822546715
Energy: 1.6065414937029516
Energy: 1.3432598211413802
Energy: 1.3390130589604265
Energy: 1.3420311920053474
Energy: 1.3403993142261164
Energy: 1.5813089992764717
Energy: 1.5851589191087152
Energy: 1.6443527273826002
Energy: 1.3497866100066513
Energy: 1.3366953779304247
Energy: 1.3874574457374296
Energy: 1.603657969010165
Energy: 1.6275415565578972
Energy: 1.5803143277431844
Energy: 1.3340321858760162
Energy: 1.3278795023822612
Energy: 1.3441785193256328
Energy: 1.63281501734292
Energy: 1.581666418528434
Energy: 1.5795676722867722
Energy: 1.3339593699907009
Energy: 1.3273389830523061
Energy: 1.3833514971740903
Energy: 1.5806994872870699
Energy: 1.5794806265870711
Energy: 1.6092642431844413
Energy: 1.3998720423351916
Energy: 1.5772022429839287
Energy: 1.3464069380548487
Energy: 1.6002142254634497
Energy: 1.5791872883528737
Energy: 1.402513875006097
Energy: 1.5997654054229842
Energy: 1.5813464519722538
Energy: 1.3980282159244275
Energy: 1.5789340279663755
Energy: 1.3352702135910497
Energy: 1.600751668079485
Energy: 1.607822763945965
Energy: 1.5832543001104085
Energy: 1.5999759167997618
Energy: 1.5797930779268363
Energy: 1.5802675444842489
Energy: 1.3456440618349355
Energy: 1.5861552728099966
Energy: 1.576970208060045
Energy: 1.5854338169253994
Energy: 1.596379221966458
Energy: 1.8202172366667988
Energy: 1.3443085607526657
Energy: 1.577016968152741
Energy: 1.6364494031850996
Energy: 1.79980889605022
Energy: 1.3417714593889654
Energy: 1.3366677979266155
Energy: 1.337301275202288
Energy: 1.8544822430153058
Energy: 1.8545859746954017
Energy: 1.6402923694836389
Energy: 1.3369758809406553
Energy: 1.3386836253758156
Energy: 1.3423448696819413
Energy: 1.582637719137551
Energy: 1.6366987492245684
Energy: 1.3432825358822815
Energy: 1.33914643119027
Energy: 1.3332793522426394
Energy: 1.3452523213511003
Energy: 1.34514179004943
Energy: 1.6266678308082103
Energy: 1.3421912515534524
Energy: 1.3470852877853534
Energy: 1.3375063669999765
Energy: 1.3399092139720716
Energy: 1.6050417691855576
Energy: 1.5803518449251757
Energy: 1.3983094883538
Energy: 1.3365001342367435
Energy: 1.327983145630476
Energy: 1.33807232114952
Energy: 1.6003248923380653
Energy: 1.6066268985376488
Energy: 1.341615540290092
Energy: 1.3398740979094923

minimum gb energy = 1.3273389830523061 eV
minimum distance =  2.27159180250775 Angstroms
sigma value = 33


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

Energy: 1.8954242522230385
Energy: 1.2851877731105874
Energy: 1.4204833248738153
Energy: 1.5899044777967555
Energy: 1.420249162273789
Energy: 2.0790482941358306
Energy: 1.5560257372484512
Energy: 1.3493495280201793
Energy: 1.7058747693735958
Energy: 1.6987592835176712
Energy: 1.479893627369852
Energy: 1.7475528211932796
Energy: 1.4105512800487294
Energy: 1.2754264724066904
Energy: 1.7465997283239838
Energy: 1.5633000500699534
Energy: 1.4799626815700082
Energy: 1.4111926853413004
Energy: 1.418295357509596
Energy: 1.4267817207574613
Energy: 1.4796948660263802
Energy: 1.420231809570853
Energy: 1.2798812712824055
Energy: 1.4288326846069261
Energy: 1.4171141009153763
Energy: 1.4274668169358096
Energy: 1.3440424990527469
Energy: 1.6700277795547949
Energy: 1.2718399965028189
Energy: 1.4110977415639754
Energy: 1.4239831774655987
Energy: 1.278512276434463
Energy: 1.2749963684548105
Energy: 1.7435358069966826
Energy: 1.2739981209490145
Energy: 1.4183983135106737
Energy: 1.7625426682146867
Energy: 1.4268268850189902
Energy: 1.628402778765103
Energy: 1.6382866527542619
Energy: 1.280079311648866
Energy: 1.5479052656878258
Energy: 1.7623959683531503
Energy: 1.3418584097469897
Energy: 1.4161968019519922
Energy: 1.4112637544559392
Energy: 1.4203209205728589
Energy: 1.5759760082255054
Energy: 1.4185879218327833
Energy: 1.2807500851167957
Energy: 1.4285499828141166
Energy: 1.411258226610762
Energy: 1.4266189313781552
Energy: 1.4206903294831874
Energy: 1.6980328821110025
Energy: 1.343816898181446
Energy: 1.4272625664336365
Energy: 1.410647601335876
Energy: 1.2772853355656093
Energy: 1.719792203269179
Energy: 1.698312434468003
Energy: 1.7466458265466158
Energy: 1.275554156075255
Energy: 1.4121089688747774
Energy: 1.5908712432806407
Energy: 1.7477697708947153
Energy: 1.6862728627702843
Energy: 1.6700640701409248
Energy: 1.2802717778037787
Energy: 1.5889770067372782
Energy: 1.2785847781858453
Energy: 1.68496574245636
Energy: 1.7831547416316806
Energy: 1.6859731235317572
Energy: 1.2808062815941772
Energy: 1.5891016036001515
Energy: 1.28135125609508
Energy: 1.7927032634371864
Energy: 1.8382048759662553
Energy: 1.7473745791624244
Energy: 1.2771827015245751
Energy: 1.2769746760299912
Energy: 1.2768523976659687
Energy: 1.9200110325481021
Energy: 1.851735984917804
Energy: 1.2787009776027158
Energy: 1.2751508153063706
Energy: 1.2757604598737193
Energy: 1.2768036788330297
Energy: 1.469883593299531
Energy: 1.7683366908800953
Energy: 1.2809265046169958
Energy: 1.2807303245842447
Energy: 1.2741712922960275
Energy: 1.279139094535325
Energy: 1.529042384796359
Energy: 1.7005497176173692
Energy: 1.3462869784288394
Energy: 1.277567867115579
Energy: 1.2745267267734801
Energy: 1.2795765439903652
Energy: 1.7499754131846752
Energy: 1.8079336200474507
Energy: 1.5927389791796909
Energy: 1.4782044360860627
Energy: 1.4249547125834794
Energy: 1.2800837205791975
Energy: 1.685380300746712
Energy: 1.6800429959854608
Energy: 1.6825011474050853
Energy: 1.2712146808126612
Energy: 1.5675765291696586
Energy: 1.5211273714419928
Energy: 1.6808497062367176
Energy: 1.6992143308072059
Energy: 1.7192053778040706
Energy: 1.276017881402821
Energy: 1.5561129124286683
Energy: 1.4954665507160565
Energy: 1.6858351448089275
Energy: 1.5481077906288228
Energy: 1.7728200374980898
Energy: 1.4283676546788702
Energy: 1.4108605696356291
Energy: 1.34450062007681
Energy: 1.7457352794853196
Energy: 1.6846000983339322
Energy: 1.340453463731585
Energy: 1.4343340669501605
Energy: 1.425831124612132
Energy: 1.4267230747404829
Energy: 1.4203009039167172
Energy: 1.6703036682768124
Energy: 1.2756109889740637
Energy: 1.42588339088192
Energy: 1.4130165448562941
Energy: 1.4266070897890328
Energy: 1.6310912733695138
Energy: 1.792247090987935
Energy: 1.703356646794942
Energy: 1.4185291639800586
Energy: 1.4191321477193415
Energy: 1.4190336386793625
Energy: 2.0062911327323945
Energy: 1.6370796089375952
Energy: 1.4291002245005675
Energy: 1.4108139505956416
Energy: 1.7666035364923383
Energy: 1.4262579233418162
Energy: 1.4789276330449481
Energy: 1.410878502938503
Energy: 1.41971635132129
Energy: 1.5682948636922647
Energy: 1.8087216928989702
Energy: 1.331354481986736
Energy: 1.4112643009579433
Energy: 1.4082288203875097
Energy: 1.4271283696085768
Energy: 1.2797576671152548
Energy: 1.670264494263865
Energy: 1.2785871858463815
Energy: 1.4283131126164352
Energy: 1.4093298122819704
Energy: 1.2783159786743181
Energy: 1.4779589110476476
Energy: 1.6990717380432723
Energy: 1.3409782309381315
Energy: 1.433090687541902
Energy: 1.41208982278416
Energy: 1.3426307440745926
Energy: 1.7476420509714048
Energy: 1.697431105183241
Energy: 1.7464317794571529
Energy: 1.4132719430591518
Energy: 1.6670873231439098
Energy: 1.2794467983966675
Energy: 1.6844721472062876
Energy: 1.6857588150469884
Energy: 1.6056244506978758
Energy: 1.42107555808988
Energy: 1.6662763296057037
Energy: 1.2821719248170154
Energy: 1.749642178510096
Energy: 1.7497858687721697
Energy: 1.670366156843089
Energy: 1.420987378989623
Energy: 1.278260596339325
Energy: 1.4114356938582107
Energy: 1.7475840847202762
Energy: 1.762605420511338
Energy: 1.7465768140320945
Energy: 1.4137077619911453
Energy: 1.276039520901388
Energy: 1.2747236533498616
Energy: 1.3420147941712157
Energy: 1.8371089287534021
Energy: 1.2834395530907823
Energy: 1.2717819784170967
Energy: 1.2717065228862512
Energy: 1.279249683146185
Energy: 1.2806282057956462
Energy: 1.7666869729036172
Energy: 1.2789708664740502
Energy: 1.2849755602245951
Energy: 1.277162651140658
Energy: 1.2767008355770597
Energy: 1.4781422911082127
Energy: 1.7041334553402205
Energy: 1.2820020047472012
Energy: 1.2755550814425651
Energy: 1.4185131114192218
Energy: 1.479315581433054
Energy: 1.7471349780030307
Energy: 1.6985104384997496
Energy: 1.476934604724853
Energy: 1.4195928208791158
Energy: 1.7673472608955925
Energy: 1.4798872826253513
Energy: 1.7497191695495136
Energy: 1.6812076009594876
Energy: 1.5222363879946392
Energy: 1.5657346399953522

minimum gb energy = 1.2712146808126612 eV
minimum distance =  2.23242432634973 Angstroms
sigma value = 41


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

Energy: 1.986054468208069
Energy: 1.9193621745553167
Energy: 1.410330062021598
Energy: 1.4170456513420537
Energy: 1.4111562908185
Energy: 1.915475273107279
Energy: 1.7544023347751276
Energy: 1.1093633578286934
Energy: 1.1111336411477193
Energy: 1.4223803421671062
Energy: 1.1099611619923828
Energy: 1.4184199704949536
Energy: 1.4180586512351647
Energy: 1.109846953416525
Energy: 1.1111265583520382
Energy: 1.054406908581463
Energy: 1.1091333943921722
Energy: 1.416651251782173
Energy: 1.4198854966772805
Energy: 1.499105671134439
Energy: 1.1150178729035978
Energy: 1.4170880004038184
Energy: 1.1142619091776327
Energy: 1.4976032847627572
Energy: 1.4176236098084634
Energy: 1.4189317155180992
Energy: 1.1103680944068297
Energy: 1.4193588285146377
Energy: 1.1090660327034965
Energy: 1.4182842094261467
Energy: 1.4094437700892841
Energy: 1.410809878208846
Energy: 1.8870787366375714
Energy: 1.4074887223780144
Energy: 1.8849357551803418
Energy: 1.4113702309701206
Energy: 1.762204679348649
Energy: 1.5078905420360431
Energy: 1.4135927352621978
Energy: 1.4180624909708206
Energy: 1.4968075363886697
Energy: 1.7536528480408327
Energy: 1.7531084222022266
Energy: 1.1106834510154424
Energy: 1.4193122715521331
Energy: 1.437036640837464
Energy: 1.110306240227971
Energy: 1.9213816122620302
Energy: 1.4133322506658679
Energy: 1.498368893146611
Energy: 1.1149018426406052
Energy: 1.0543053179314137
Energy: 1.1096290218578881
Energy: 1.411934476439015
Energy: 1.4260335548541674
Energy: 1.1130120421319416
Energy: 1.1139695853268707
Energy: 1.5323366060685997
Energy: 1.113448980342338
Energy: 1.419570346467099
Energy: 1.4210405838078901
Energy: 1.5012272179782442
Energy: 1.1125443490923896
Energy: 1.437027631015755
Energy: 1.11269106349839
Energy: 1.4992407418437155
Energy: 1.4114308067869445
Energy: 1.4171100844194098
Energy: 1.114608858443907
Energy: 1.4069266050457063
Energy: 1.1119609552579015
Energy: 1.4175007828961794
Energy: 1.4157071780695192
Energy: 1.4175917647379994
Energy: 1.1120301437261313
Energy: 1.5347951819687276
Energy: 1.1123418422758165
Energy: 1.411086569261875
Energy: 1.7639155928154593
Energy: 1.5008165829148392
Energy: 1.4101683149139719
Energy: 1.4378049372473036
Energy: 1.418752057896624
Energy: 1.917758170092181

minimum gb energy = 1.0543053179314137 eV
minimum distance =  2.27128496819642 Angstroms
sigma value = 11


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

Energy: 2.2354910384236244
Energy: 1.3323008629066906
Energy: 1.3348308148006696
Energy: 1.548082166543485
Energy: 1.3349905717551294
Energy: 2.097662777323866
Energy: 1.329959254059079
Energy: 1.5213510949127875
Energy: 1.4072680312868693
Energy: 1.4674377277935022
Energy: 1.4040272021359916
Energy: 1.3407485880031624
Energy: 1.339817683953653
Energy: 1.3517550064786905
Energy: 1.5621129658691464
Energy: 1.3340502766352997
Energy: 1.5648037500983443
Energy: 1.3535408259851307
Energy: 1.3411375107141552
Energy: 1.3523124099280759
Energy: 1.520202686992183
Energy: 1.3346128857564095
Energy: 1.3720396450953922
Energy: 1.3544777118129108
Energy: 1.3402339833253407
Energy: 1.3525239920518537
Energy: 1.5206249331281978
Energy: 1.4673375168620666
Energy: 1.3519484191440008
Energy: 1.3528096248465191
Energy: 1.3396388774429442
Energy: 1.3512020621890815
Energy: 1.9120953944249872
Energy: 1.3347478921730096
Energy: 1.9127126395533751
Energy: 1.3543944304720015
Energy: 1.33553625973285
Energy: 1.5203466490908186
Energy: 1.3392765128942241
Energy: 1.3346366282997764
Energy: 1.3383730896145962
Energy: 1.4017953337312914
Energy: 1.490899244121195
Energy: 1.533920442683443
Energy: 1.3455487979954805
Energy: 1.3405212603231615
Energy: 1.3335314254937614
Energy: 1.3304927588251714
Energy: 1.3400691505578397
Energy: 1.35904455795663
Energy: 1.4043562302556294
Energy: 1.3299994784262321
Energy: 1.5290170770566043
Energy: 1.3542865150707388
Energy: 1.341154357552253
Energy: 1.3410937200469757
Energy: 1.5204962655360341
Energy: 1.3299816119771457
Energy: 1.5291024679725704
Energy: 1.343436888858201
Energy: 1.470218631007333
Energy: 1.5411725458985328
Energy: 1.3992712311548883
Energy: 1.34058117806713
Energy: 1.533816920852584
Energy: 1.5391666881217074
Energy: 1.4693186015631616
Energy: 1.533859017035948
Energy: 1.543075268965523
Energy: 1.4695971179233842
Energy: 1.5353638096443607
Energy: 1.4706688861122101
Energy: 1.3411220776791701
Energy: 1.5400273973333722
Energy: 1.4699049710494276
Energy: 1.4704022167881332
Energy: 1.4694167918625156
Energy: 1.5219051547260838
Energy: 1.329462953806726
Energy: 1.351131425117348
Energy: 1.3510061983784163
Energy: 1.3417586996237942
Energy: 1.3518234754744582
Energy: 1.5632844676474678
Energy: 1.3403961191419027
Energy: 1.52085075648818
Energy: 1.3445921375136898
Energy: 1.3417565471753365
Energy: 1.521314724549922
Energy: 1.3349366120896389
Energy: 1.3403080089664243
Energy: 1.3410493338129295
Energy: 1.3316435039940575
Energy: 2.098314690448148
Energy: 1.334123533614564
Energy: 1.3416593287320568
Energy: 1.4675505614418505
Energy: 1.405124681381733
Energy: 1.5203475612347348
Energy: 1.330109750220266
Energy: 1.5210452058142983
Energy: 1.3365700634990267
Energy: 1.5966767990062767
Energy: 1.5640597569334025
Energy: 1.352355664045384
Energy: 1.3385968143035325
Energy: 1.3516414010107956
Energy: 1.7054084658621103
Energy: 1.4678898946374832
Energy: 1.3529599399593548
Energy: 1.352940749091301
Energy: 1.3502399882774507
Energy: 1.3538140960527065
Energy: 1.334234783958491
Energy: 1.4655847300327054
Energy: 1.352477791876796
Energy: 1.3528139124049992
Energy: 1.350888580434114
Energy: 1.3527213647726926
Energy: 1.404196240100493
Energy: 1.3329584734380686
Energy: 1.9111461535578302
Energy: 1.3517855571828616
Energy: 1.3398186979322408
Energy: 1.350964475708218
Energy: 1.9116374538183336
Energy: 1.3349499331005448
Energy: 1.3341767064157575
Energy: 1.5200773804229797
Energy: 1.3355121169237256
Energy: 1.52042487174336
Energy: 1.3375737780372774
Energy: 1.3407065908976394
Energy: 1.342371490950771
Energy: 1.9031501367452286
Energy: 1.3293760750441381
Energy: 1.6840051945490728
Energy: 1.3430422805254871
Energy: 1.32991280582951
Energy: 1.5200257749990551
Energy: 1.350880546089971
Energy: 1.3409030244534386
Energy: 1.520906154521656
Energy: 1.3310595324704135
Energy: 1.3298914320691042
Energy: 1.5289084575964573
Energy: 1.340283427269417
Energy: 1.3402928609766547
Energy: 1.3516967481579867
Energy: 1.3309811764678163
Energy: 1.3406736881515429
Energy: 1.4008719089051
Energy: 1.4698930481858175
Energy: 1.4704592914645485
Energy: 1.4708343787982197
Energy: 1.4721277714949552
Energy: 1.4694029053084239
Energy: 1.5339378398838934
Energy: 1.534004928804326
Energy: 1.469659427613022
Energy: 1.4062928321258037
Energy: 1.4697321562637022
Energy: 1.4698910423947558
Energy: 1.4720819663177214
Energy: 1.399550641733223
Energy: 1.341357594787389
Energy: 1.5406509705575864
Energy: 1.4705803506037232
Energy: 1.3412026068265677
Energy: 1.3514753287608605
Energy: 1.5287074456383623
Energy: 1.3294700534279789
Energy: 1.3513148502738899
Energy: 1.3414195623568288
Energy: 1.3409034645881914
Energy: 1.3407601715308206
Energy: 1.5436337971417307
Energy: 1.3343666214963437
Energy: 1.5202373990142408
Energy: 1.354507770118532
Energy: 1.632721596286415
Energy: 1.5344140272133293
Energy: 1.3457082286801505
Energy: 1.3408330728945181
Energy: 1.3421063744378725
Energy: 1.7060254478053745

minimum gb energy = 1.3293760750441381 eV
minimum distance =  2.24241215324376 Angstroms
sigma value = 57


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

Energy: 2.321830575116434
Energy: 1.4690334647044343
Energy: 1.5445677621576779
Energy: 1.5424555246074358
Energy: 1.566423893586514
Energy: 2.119560194290814
Energy: 1.4074988987902706
Energy: 1.4753402509901774
Energy: 1.4726897288232674
Energy: 1.4243055372552076
Energy: 1.4715234910212487
Energy: 1.4909135440705497
Energy: 1.4237843848422622
Energy: 1.4261439214790912
Energy: 1.488573080569139
Energy: 1.4669252455514754
Energy: 1.4906245771281397
Energy: 1.4268736961626627
Energy: 1.4248394937546216
Energy: 1.4485067955318982
Energy: 1.487519952296703
Energy: 1.42646676618126
Energy: 1.4493168928110653
Energy: 1.4483353002388855
Energy: 1.4256156137597455
Energy: 1.4482827901113338
Energy: 1.4756931826551556
Energy: 1.4247905084696015
Energy: 1.4473564993496466
Energy: 1.4500349159075003
Energy: 1.4243073303768032
Energy: 1.4865222515735144
Energy: 1.806060081029347
Energy: 1.4244685823531915
Energy: 1.49125707924455
Energy: 1.4270719824653404
Energy: 1.4187389044601706
Energy: 1.487335984292294
Energy: 1.425753510745737
Energy: 1.4252398683583665
Energy: 1.4261593890324273
Energy: 1.471916176062424
Energy: 1.4224828269415142
Energy: 1.490111901102206
Energy: 1.42750994837468
Energy: 1.424393272493135
Energy: 1.4256013881258107
Energy: 1.4933817006244174
Energy: 1.4237645875916678
Energy: 1.429608079847918
Energy: 1.4092239821447243
Energy: 1.407721223505234
Energy: 1.4874378669409183
Energy: 1.4267691222540435
Energy: 1.4239277437695046
Energy: 1.4254505648224352
Energy: 1.4089683930174146
Energy: 1.4077569684745548
Energy: 1.4870861986522268
Energy: 1.4254103348651206
Energy: 1.4080060941587282
Energy: 1.492000706776858
Energy: 1.4869945052782352
Energy: 1.4243790840852295
Energy: 1.4880168152033881
Energy: 1.4909617671285065
Energy: 1.407919473610813
Energy: 1.486711565801725
Energy: 1.4499872818971056
Energy: 1.4253093493389386
Energy: 1.4489331607900218
Energy: 1.4708827206444381
Energy: 1.4256965837280822
Energy: 1.4795851726825244
Energy: 1.4500899915026269
Energy: 1.4263064580073863
Energy: 1.4489195071567975
Energy: 1.4259653088111632
Energy: 1.4239537035194971
Energy: 1.491240288669721
Energy: 1.4268352619294844
Energy: 1.427316574732426
Energy: 1.4876436226132876
Energy: 1.8039446697796064
Energy: 1.424948998183268
Energy: 1.4720234313121499
Energy: 1.4885359382628713
Energy: 1.424495372285102
Energy: 1.4732854573531537
Energy: 1.4260916358877749
Energy: 1.4245678631486085
Energy: 1.4276112629238353
Energy: 1.4464635921720024
Energy: 1.7917772889387666
Energy: 1.4469491871859212
Energy: 1.4301923715366849
Energy: 1.407676179072106
Energy: 1.4879985785406324
Energy: 1.4900853121527178
Energy: 1.4250365895091215
Energy: 1.4717094995399027
Energy: 1.427027655993174

minimum gb energy = 1.4074988987902706 eV
minimum distance =  2.26737129387943 Angstroms
sigma value = 9


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

Energy: 2.5129582300397453
Energy: 1.4612754129640655
Energy: 1.5530154546552692
Energy: 1.5539806241153011
Energy: 1.553039965448249
Energy: 1.460964049518454
Energy: 1.482384361872848
Energy: 1.6084929712192007
Energy: 1.476857385047135
Energy: 1.4724807244032625
Energy: 1.558259766144698
Energy: 1.5680299479087172
Energy: 1.469731070314615
Energy: 1.4752472502655423
Energy: 1.625051236219706
Energy: 1.6228830134914907
Energy: 1.565677640457268
Energy: 1.4722572154015077
Energy: 1.4944851283904543
Energy: 1.472774614291523
Energy: 1.4722672088275874
Energy: 1.4731945905935857
Energy: 1.5896610197031584
Energy: 1.4730606143522431
Energy: 1.4952428864764216
Energy: 1.5626219462987745
Energy: 1.517989385178522
Energy: 1.4983354141747092
Energy: 1.517996122822318
Energy: 1.5620066419317267
Energy: 1.4709005572925866
Energy: 1.5172769217637625
Energy: 1.564086349114465
Energy: 1.4956055903701195
Energy: 1.5625782912368598
Energy: 1.4747342029926296
Energy: 1.4681745950092138
Energy: 1.4990352052500242
Energy: 1.4731437690356532
Energy: 1.472616812984307
Energy: 1.4715722160608942
Energy: 1.5367138063873342
Energy: 1.4653289686627977
Energy: 1.5680355818180078
Energy: 1.4890973909589176
Energy: 1.4669486129076967
Energy: 1.4965332943400071
Energy: 1.566178039004845
Energy: 1.4730541763640148
Energy: 1.4724831056731602
Energy: 1.5950481842500526
Energy: 1.5004236953874548
Energy: 1.568631705192984
Energy: 1.4727220059477184
Energy: 1.4663207244447982
Energy: 1.4766770775659435
Energy: 1.5948236832706117
Energy: 1.4931962929480866
Energy: 1.56709113225038
Energy: 1.47327560262068
Energy: 1.487604171871856
Energy: 1.5677620363910412
Energy: 1.4865821803008559
Energy: 1.4671493576700494
Energy: 1.4869489566340066
Energy: 1.4971562986465308
Energy: 1.4825950302277051
Energy: 1.5348626941790238
Energy: 1.4725322085958144
Energy: 1.4726889953677276
Energy: 1.5005258762105897
Energy: 1.5851145060631622
Energy: 1.4656656734665408
Energy: 1.4754107512662256
Energy: 1.5956682964897708
Energy: 1.4962610008038455
Energy: 1.5646485238346028
Energy: 1.485404585364991
Energy: 1.469082334192088
Energy: 1.499356178465724
Energy: 1.5357850550079961
Energy: 1.4969536807751624
Energy: 1.4997168712462898
Energy: 1.4724923516864266
Energy: 1.4954735571616296
Energy: 1.5635525259758147
Energy: 1.47263345025879
Energy: 1.4720339563385263
Energy: 1.5182515309915576
Energy: 1.5635428748876974
Energy: 1.4955932958747358
Energy: 1.519511793797138
Energy: 1.5598785524715257
Energy: 1.562323372414977
Energy: 1.564383491005067
Energy: 1.4994169597234601
Energy: 1.4700589509667612
Energy: 1.5784498506165103
Energy: 1.4736616190408511
Energy: 1.4987812770533822
Energy: 1.4723450328713
Energy: 1.5658733966073264
Energy: 1.4665604391334444
Energy: 1.5657277506804743
Energy: 1.474061500329371
Energy: 1.4670699266894838
Energy: 1.4749323425971825
Energy: 1.567063698196865
Energy: 1.4728602641862465
Energy: 1.501548066297983
Energy: 1.5595523827726434
Energy: 1.4730776525499962
Energy: 1.5576161373353627
Energy: 1.5012799808533377
Energy: 1.5532188307537036
Energy: 1.555234199392015
Energy: 1.4733869365512986
Energy: 1.5901751232305554
Energy: 1.486571793016356
Energy: 1.5551377509012585
Energy: 1.4827777294864408
Energy: 1.5293744768154833
Energy: 1.4754513715536866
Energy: 1.4669816034093228
Energy: 1.596702030891108
Energy: 1.4772479203022646

minimum gb energy = 1.460964049518454 eV
minimum distance =  2.28111103297524 Angstroms
sigma value = 27


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

Energy: 2.106918039103137
Energy: 1.5319464255836663
Energy: 1.5758305435526796
Energy: 1.5756382473621422
Energy: 1.5757116645433986
Energy: 1.5333475119988147
Energy: 1.4779689190358598
Energy: 1.6225439567573419
Energy: 1.4896977496591353
Energy: 1.4881141164490008
Energy: 1.6217647373249486
Energy: 1.4883656231728202
Energy: 1.4783420474464075
Energy: 1.4980522174476156
Energy: 1.619897365467824
Energy: 1.6203515582863366
Energy: 1.6211487944790337
Energy: 1.49503508790396
Energy: 1.4850120896227934
Energy: 1.494946289963916
Energy: 1.6191798197342886
Energy: 1.4876504816654268
Energy: 1.6579159329508477
Energy: 1.4959741151566361
Energy: 1.490885219436896
Energy: 1.6450711204803035
Energy: 1.5427764698683064
Energy: 1.5032987488874026
Energy: 1.5451836829798364
Energy: 1.64187763762758
Energy: 1.4655751618368413
Energy: 1.5561112181442522
Energy: 1.5415700114787771
Energy: 1.5040317019484708
Energy: 1.5422187418175564
Energy: 1.4643903028596075
Energy: 1.448885361362567
Energy: 1.5711612062489926
Energy: 1.5469519242246692
Energy: 1.5476221973956241
Energy: 1.5479016552929925
Energy: 1.6527340590841544
Energy: 1.4487705572955187
Energy: 1.6526178862791772
Energy: 1.524620516640331
Energy: 1.5013429430073855
Energy: 1.5707578346927773
Energy: 1.4577427179622071
Energy: 1.4492130035310649
Energy: 1.487164661908841
Energy: 1.5128064360931692
Energy: 1.5016618831804296
Energy: 1.4897243315946511
Energy: 1.4867695717517289
Energy: 1.4486700300282556
Energy: 1.433874802231379
Energy: 1.4348008244336319
Energy: 1.5018049851322635
Energy: 1.5130799834835384
Energy: 1.4347996905489553
Energy: 1.475787905449213
Energy: 1.7016254292692525
Energy: 1.5095505172163173
Energy: 1.4762574186652675
Energy: 1.5024778237810774
Energy: 1.4609311835919765
Energy: 1.4860917354034227
Energy: 1.7049062293765667
Energy: 1.468145413327543
Energy: 1.4695549105755061
Energy: 1.4868742228118639
Energy: 1.4379639814885434
Energy: 1.449027506103059
Energy: 1.449964244845704
Energy: 1.4335543869208038
Energy: 1.43266493402791
Energy: 1.434223696165619
Energy: 1.451701808997906
Energy: 1.4495968939132151
Energy: 1.4349464543077077
Energy: 1.6137242661336524
Energy: 1.4698272563425299
Energy: 1.4332658380958918
Energy: 1.4345813841512676
Energy: 1.4444414016106961
Energy: 1.7042995760491315
Energy: 1.486018431522566
Energy: 1.4692586853204366
Energy: 1.4852389521968747
Energy: 1.6272502807875682
Energy: 1.4679235145828688
Energy: 1.5955091602436018
Energy: 1.5166679936199512
Energy: 1.5002547854726143
Energy: 1.5903195325263906
Energy: 1.4361406907165777
Energy: 1.4478163425127883
Energy: 1.44956617080268
Energy: 1.523429266237396
Energy: 1.5233049423816887
Energy: 1.5153942896275554
Energy: 1.4490980083889098
Energy: 1.4885939836836006
Energy: 1.5335873425089441
Energy: 1.5760902696661498
Energy: 1.4996381053543966
Energy: 1.5587782283712903
Energy: 1.5341631038178563
Energy: 1.4641312037815195
Energy: 1.5520458923930052
Energy: 1.6225880964124288
Energy: 1.4811019362804116
Energy: 1.5495296857714855
Energy: 1.5512238286058901
Energy: 1.4639839175063567
Energy: 1.574502171537859
Energy: 1.6514751892148054
Energy: 1.649482783003673
Energy: 1.6506098092754642
Energy: 1.4893117574677026
Energy: 1.4883571772702817
Energy: 1.4969507933189328
Energy: 1.5001717503757213
Energy: 1.4959964986970793
Energy: 1.4936621651336985
Energy: 1.6213394945248507
Energy: 1.4454362877915798
Energy: 1.6208443725149415
Energy: 1.4938334690893564
Energy: 1.4768144065461393
Energy: 1.615234792355268
Energy: 1.6212399808219669
Energy: 1.4883541625547185
Energy: 1.4911676279106854
Energy: 1.532707298622152
Energy: 1.4862396961929587
Energy: 1.6208236646909673
Energy: 1.4899686354926012
Energy: 1.5369324780068638
Energy: 1.479894065027991
Energy: 1.5874099570276121
Energy: 1.4882237180053302
Energy: 1.5071745776089647
Energy: 1.461866370383418
Energy: 1.4776888683069613
Energy: 1.6220770502658401
Energy: 1.4892431710936294
Energy: 1.5564543190792275
Energy: 1.4893118967453725
Energy: 1.6284850690829824

minimum gb energy = 1.43266493402791 eV
minimum distance =  2.26396254211283 Angstroms
sigma value = 19


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

Energy: 2.084241510369075
Energy: 1.4020739431031632
Energy: 1.4609715627089759
Energy: 1.4613822796126323
Energy: 1.4608692792143596
Energy: 1.3933666022757234
Energy: 1.3761249495492889
Energy: 1.5856338959971998
Energy: 1.3985817449395699
Energy: 1.3995484578465018
Energy: 1.3999980280967634
Energy: 1.3996858875767093
Energy: 1.387390632387455
Energy: 1.3891729163354871
Energy: 1.7252239793518562
Energy: 1.7237443326723803
Energy: 1.3910691359461327
Energy: 1.3873702841637507
Energy: 1.389164425257832
Energy: 1.3885779296772103
Energy: 1.3906387941819705
Energy: 1.3995303547831404
Energy: 1.6423416345503574
Energy: 1.3903689462752347
Energy: 1.3759141141737585
Energy: 1.5416123296844089
Energy: 1.4290552082752341
Energy: 1.3905744352861655
Energy: 1.4766332957666037
Energy: 1.5414252858088948
Energy: 1.389305683834512
Energy: 1.3907255345954301
Energy: 1.430207796286521
Energy: 1.3900361243294288
Energy: 1.4770793490603542
Energy: 1.389703649131577
Energy: 1.3996725131346335
Energy: 1.523815153803115
Energy: 1.5083651042123754
Energy: 1.5087295770786673
Energy: 1.523501207842735
Energy: 1.5090254972550758
Energy: 1.3994979015900275
Energy: 1.5084056117732625
Energy: 1.3909037958854482
Energy: 1.391128336821135
Energy: 1.4881397644246923
Energy: 1.5089429407159858
Energy: 1.3970173364055385
Energy: 1.4773116631426146
Energy: 1.429269337668141
Energy: 1.3908728789943374
Energy: 1.4285153545713893
Energy: 1.4770381771600378
Energy: 1.3990777385590745
Energy: 1.389649045636
Energy: 1.6424183973091349
Energy: 1.3905827757036218
Energy: 1.6424074037211296
Energy: 1.3907998974700084
Energy: 1.384850415895703
Energy: 1.443774331883536
Energy: 1.3876783199699487
Energy: 1.3905476380647106
Energy: 1.443689021423139
Energy: 1.3875509837835365
Energy: 1.3992085915242958
Energy: 1.4002724976365073
Energy: 1.3912833796994473
Energy: 1.3876101029533674
Energy: 1.399206049740754
Energy: 1.5852596485093453
Energy: 1.3994469686275588
Energy: 1.4003530133192326
Energy: 1.3849245312501324
Energy: 1.3947617598228095
Energy: 1.3913372131217736
Energy: 1.4005925945315965
Energy: 1.3915895573978156
Energy: 1.4001875016609455
Energy: 1.3878280144295787
Energy: 1.395219809341133
Energy: 1.3901963666503896
Energy: 1.4013412903115827
Energy: 1.38957580709331
Energy: 1.3903079659237618
Energy: 1.3888304808665528
Energy: 1.4606159628420807
Energy: 1.3877345666669219
Energy: 1.3933588892557354
Energy: 1.3762553289070663
Energy: 1.5854981267177612
Energy: 1.3996789047136229
Energy: 1.3997168087043497
Energy: 1.3910932645544847
Energy: 1.376426519410652
Energy: 1.3927494641975413
Energy: 1.3876239920433304
Energy: 1.7242207973169195
Energy: 1.3946774090772813
Energy: 1.58508036307659
Energy: 1.3872443283753992
Energy: 1.3898983219115206
Energy: 1.391023066397672
Energy: 1.6415773914053449
Energy: 1.3913990983837938
Energy: 1.3899474568000187
Energy: 1.3899040192461565
Energy: 1.376047478021033
Energy: 1.5421497552765753
Energy: 1.4286990864143627
Energy: 1.3995198816536432
Energy: 1.4293064720839206
Energy: 1.6410036911332075
Energy: 1.3894649308234936
Energy: 1.5861096130770849
Energy: 1.475692154883972
Energy: 1.3917005251057195
Energy: 1.4778622677013207
Energy: 1.3911677314207305
Energy: 1.390369807395861
Energy: 1.5968276357163969
Energy: 1.5087509471844276
Energy: 1.4913008517364656
Energy: 1.5227110995798745
Energy: 1.3909623982229693
Energy: 1.3994470122280525
Energy: 1.508239872510525
Energy: 1.39140538816509
Energy: 1.3908283874381995
Energy: 1.4869696790395097
Energy: 1.5086069326594316
Energy: 1.389260288456349
Energy: 1.4293166708023672
Energy: 1.5032104643301463
Energy: 1.390485393644626
Energy: 1.4744813459672745
Energy: 1.4746903910408113
Energy: 1.3996018947659483
Energy: 1.4285229097589276
Energy: 1.6413262720744075
Energy: 1.3913761814217276
Energy: 1.6405501800208004
Energy: 1.4003536724052574
Energy: 1.39937808900784
Energy: 1.3882871611083811
Energy: 1.3920248757379516
Energy: 1.3919142308797798
Energy: 1.38764217243239
Energy: 1.6406498735240116
Energy: 1.3848088752902106
Energy: 1.388045504989959
Energy: 1.386641427674621
Energy: 1.387477838923213
Energy: 1.3875048962652758
Energy: 1.400539253807687
Energy: 1.3994569328232427
Energy: 1.400057140660211
Energy: 1.3907613251669229
Energy: 1.3950305566610584
Energy: 1.390696074182362
Energy: 1.4012594255784623
Energy: 1.3873217378167448
Energy: 1.399608556025063
Energy: 1.5796283428318756
Energy: 1.3950145854802045
Energy: 1.3995513086789197
Energy: 1.3894873072084446
Energy: 1.3896637601961481
Energy: 1.4003799860619024
Energy: 1.3995543842273857
Energy: 1.460591258133394
Energy: 1.3911148337040555
Energy: 1.39200122023213

minimum gb energy = 1.3759141141737585 eV
minimum distance =  2.26560912544874 Angstroms
sigma value = 101


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

Energy: 2.178581658033491
Energy: 1.3192339702842544
Energy: 1.3942975782413787
Energy: 1.3936886296856623
Energy: 1.3944163756307448
Energy: 1.7117030139080474
Energy: 1.3180695278767487
Energy: 1.3266322943571338
Energy: 1.3265472946319352
Energy: 1.3222743332833995
Energy: 1.3266898820600443
Energy: 1.3276593685885079
Energy: 1.3292648676791845
Energy: 1.330205558168977
Energy: 1.3306969676094498
Energy: 1.3205068784129097
Energy: 1.3309314471773201
Energy: 1.3302457618707144
Energy: 1.3392817883366552
Energy: 1.3298625432259812
Energy: 1.32586136867924
Energy: 1.3226881208879497
Energy: 1.3305463077195017
Energy: 1.330001096461049
Energy: 1.3184366309963305
Energy: 1.3776124320288126
Energy: 1.3778794715634304
Energy: 1.3279302633478
Energy: 1.3770899484433312
Energy: 1.5508942362849363
Energy: 1.3387727815666026
Energy: 1.329395230698257
Energy: 1.3788248460926307
Energy: 1.3235023158337753
Energy: 1.376269974253533
Energy: 1.3292299762908966
Energy: 1.3400143835050942
Energy: 1.4452778775325525
Energy: 1.4609927350599095
Energy: 1.5105946324593367
Energy: 1.4629028219207947
Energy: 1.4446746508113968
Energy: 1.3392238848031117
Energy: 1.4454272585888543
Energy: 1.3230454714680637
Energy: 1.3236445758243014
Energy: 1.4723231241764665
Energy: 1.3302286810931243
Energy: 1.3394320435347509
Energy: 1.445925183500149
Energy: 1.4605881025417733
Energy: 1.3225975701004962
Energy: 1.4655061419052995
Energy: 1.445160397431816
Energy: 1.3401228842713415
Energy: 1.3301696121374291
Energy: 1.5115550776581896
Energy: 1.3224617857547674
Energy: 1.5099895144736737
Energy: 1.3302552357580686
Energy: 1.3400604764945314
Energy: 1.3762004383574329
Energy: 1.379634202031591
Energy: 1.3771520854779986
Energy: 1.3770674769894837
Energy: 1.3759320922693148
Energy: 1.33941180236543
Energy: 1.3775096252939658
Energy: 1.3281756983029098
Energy: 1.3230859969588058
Energy: 1.3260218604136587
Energy: 1.3308408768099833
Energy: 1.3396388330165754
Energy: 1.330331523071722
Energy: 1.3253289320747468
Energy: 1.3374867590443988
Energy: 1.3253350916223923
Energy: 1.3309331592696723
Energy: 1.3249834181415705
Energy: 1.3261095528521607
Energy: 1.524230223162499
Energy: 1.3370645634199894
Energy: 1.3266953231397207
Energy: 1.3233959458483162
Energy: 1.319116000377879
Energy: 1.3225488088944495
Energy: 1.3259679406782299
Energy: 1.3227825055884033
Energy: 1.3221182626629513
Energy: 1.321795892984435
Energy: 1.3191221103845845
Energy: 1.3272803265822275
Energy: 1.3242068395326014
Energy: 1.3253672351086694
Energy: 1.3264930215742796
Energy: 1.32704920017748
Energy: 1.3928670552621816
Energy: 1.3261913769996723
Energy: 1.3185852785735797
Energy: 1.3504896519470309
Energy: 1.3279394612298117
Energy: 1.393917108385726
Energy: 1.3219425699960734
Energy: 1.3259628574938276
Energy: 1.3264242103023636
Energy: 1.3186060263068544
Energy: 1.3224401299263078
Energy: 1.3237094194067982
Energy: 1.31796038709019
Energy: 1.3224101530095744
Energy: 1.3302761286676048
Energy: 1.3256707237371048
Energy: 1.3302211817177
Energy: 1.319901838149931
Energy: 1.350649908330562
Energy: 1.4697421137657403
Energy: 1.3304310375764306
Energy: 1.3395067759620491
Energy: 1.3301844467789732
Energy: 1.3298172459909015
Energy: 1.3221525268713752
Energy: 1.3767291960597354
Energy: 1.3305487028544427
Energy: 1.5505280746834023
Energy: 1.376792477761851
Energy: 1.3225099070576638
Energy: 1.322969797120276
Energy: 1.3758236231746834
Energy: 1.3967856160980503
Energy: 1.3393498525827434
Energy: 1.376279551407848
Energy: 1.378138398144738
Energy: 1.3221039826619163
Energy: 1.4605024902310302
Energy: 1.404458269371449
Energy: 1.3306319694234876
Energy: 1.4673416200388296
Energy: 1.5097630902399688
Energy: 1.3228590372306877
Energy: 1.460168099939447
Energy: 1.4448934206631143
Energy: 1.3389507988511558
Energy: 1.4455278514135785
Energy: 1.3253636323357652
Energy: 1.3219291838754144
Energy: 1.465984198158021
Energy: 1.4443774752346061
Energy: 1.4050106217875198
Energy: 1.445236031668222
Energy: 1.4643903636389157
Energy: 1.322825902826326
Energy: 1.5099652049549432
Energy: 1.3295149325809477
Energy: 1.3399386895681202
Energy: 1.465150704685751
Energy: 1.4607108598989724
Energy: 1.3230820094043012
Energy: 1.37844163181125
Energy: 1.3782150511575926
Energy: 1.339873711362012
Energy: 1.378456266121796
Energy: 1.378392643110242
Energy: 1.322854440375834
Energy: 1.3255294636163497
Energy: 1.376830339890836
Energy: 1.3399516697975546
Energy: 1.3965110895955173
Energy: 1.3263809315802053
Energy: 1.3371778905581024
Energy: 1.3310804647322336
Energy: 1.3323050387455981
Energy: 1.3394882064384281
Energy: 1.3304587672153807
Energy: 1.3302554840213217
Energy: 1.3374285159221289
Energy: 1.3255205571123627
Energy: 1.3320321225829097
Energy: 1.3251815069249595
Energy: 1.3229195124982887
Energy: 1.3260604076344213
Energy: 1.3232767791222197
Energy: 1.324474992424689
Energy: 1.3252672425120882
Energy: 1.3193575974420533
Energy: 1.326518928244358
Energy: 1.3239692393710372
Energy: 1.3248934572485682
Energy: 1.3243471697338045
Energy: 1.3253763556465807
Energy: 1.3188267875713415
Energy: 1.3236676888493943
Energy: 1.3275814645037456
Energy: 1.3514281996051065
Energy: 1.3262347160845254
Energy: 1.3258867106917824
Energy: 1.392946765208795
Energy: 1.3277209455590304
Energy: 1.3191963519813603

minimum gb energy = 1.31796038709019 eV
minimum distance =  2.26787254201684 Angstroms
sigma value = 33


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

Energy: 0.014893317466062553
Energy: 0.015686359681722623
Energy: 0.09263852874325398
Energy: 0.08773095359841013
Energy: 0.08847030916769157
Energy: 0.01579571069989833
Energy: 0.015027896566123905
Energy: 0.10503743232308368
Energy: 0.10512968973265281
Energy: 0.10643406027998951
Energy: 0.10487771327561005
Energy: 0.10597175434748159
Energy: 0.9468113994189598
Energy: 0.09026826693868517
Energy: 0.01559694285729405
Energy: 0.01681029797635747
Energy: 0.08928732780601878
Energy: 0.08775894209230715
Energy: 0.10521788835969609
Energy: 0.10503743232308368
Energy: 0.10512968973265281
Energy: 0.10643406028069514
Energy: 0.10487771327627649
Energy: 0.10597175434677596

minimum gb energy = 0.014893317466062553 eV
minimum distance =  2.45599894296053 Angstroms
sigma value = 1