Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.646125234663486
cohesive_energy=3.9070925642619274
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=[1.7494807537299598e-19, 2.47102100085186e-19, 3.02252224180734e-19, 3.46993006685184e-19, 3.85589441798244e-19, 4.1870162629312195e-19, 4.474078250445e-19, 4.72454652363822e-19, 4.94382041776746e-19, 5.1433074304668e-19, 5.32310369233428e-19, 5.4817672443993e-19, 5.621380916286059e-19, 5.743594949927579e-19, 5.849835282528119e-19, 5.941335590095859e-19, 6.01908922214388e-19, 6.085691704819259e-19, 6.140918733393239e-19, 6.184850416697519e-19, 6.218143647152039e-19, 6.24132714304602e-19, 6.25492962266868e-19, 6.25936765194486e-19, 6.254577143809199e-19, 6.23906807399208e-19, 6.210837721700999e-19, 6.17696770765824e-19, 6.129206822198699e-19, 6.0616750770756e-19, 5.97049520483466e-19, 5.85089271910656e-19, 5.697003653410859e-19, 5.5016342346609e-19, 5.25709401501348e-19, 4.951927431535499e-19, 4.571170154465399e-19, 4.0967496313716594e-19, 3.5053221486969e-19, 2.7830609220897e-19, 1.8777510150479997e-19, 7.35538464373158e-20, -7.05073075677648e-20, -2.5471404127332e-19, -4.92832736971668e-19, -8.0443686616506e-19, -1.219370173015014e-18, -1.7822933311942798e-18, -2.56272959138202e-18, -3.68739350138466e-18, -5.3720181449703e-18, -8.03422688355738e-18, -1.2560808462298558e-17, -2.1167156600091e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01481181243395951
Energy: 0.015012092750595446
Energy: 0.01529548742906336
Energy: 0.015163967685194448
Energy: 0.8882738221858487
Energy: 0.015072271840501073
Energy: 0.015012092749396593
Energy: 0.1772086816273775
Energy: 0.17671994524930476
Energy: 0.17669638771760107
Energy: 0.17759174260400978
Energy: 0.1766169555548325
Energy: 0.015295487428446808
Energy: 0.17671994524567394
Energy: 0.17634009410734133
Energy: 0.01601383974587694
Energy: 0.17742997909252373
Energy: 0.17636897185025946
Energy: 0.015163967683687317
Energy: 0.17669638771821763
Energy: 0.016013839745260387
Energy: 0.015152292373081798
Energy: 0.17716384327811577
Energy: 0.015078783397118036
Energy: 0.8882738221807108
Energy: 0.17759174260370153
Energy: 0.17742997909492148
Energy: 0.17716384327811577
Energy: 0.17817493759386804
Energy: 0.17684024375847554
Energy: 0.015072271839918772
Energy: 0.17661695555425022
Energy: 0.17636897184875233
Energy: 0.015078783397700338
Energy: 0.1768402437596744
Energy: 0.014951911753209968

minimum gb energy = 0.01481181243395951 eV
minimum distance =  2.57670500239157 Angstroms
sigma value = 1


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

Energy: 2.43875231470649
Energy: 1.3624995770968755
Energy: 1.283864479363716
Energy: 1.3837877060386263
Energy: 1.2721749889535856
Energy: 1.2905575793020125
Energy: 2.173795157122146
Energy: 1.2853355889614693
Energy: 1.2836327134888692
Energy: 1.276936760776114
Energy: 1.2827134826519193
Energy: 1.2822404495017417
Energy: 1.1928644197650062
Energy: 1.288674258818721
Energy: 1.2856105208588098
Energy: 1.3294708969983458
Energy: 1.2721354058629692
Energy: 1.2843963338645652
Energy: 2.311969787413295
Energy: 1.276161481200614
Energy: 1.3213498536235213
Energy: 1.3214550821268112
Energy: 1.2777786122652246
Energy: 1.3212389496055186
Energy: 2.110719065759096
Energy: 1.28325918166505
Energy: 1.2852078335132175
Energy: 1.282494001001221
Energy: 1.2831344609369892
Energy: 1.2839283955481722
Energy: 2.074983550408866
Energy: 1.285573511680103
Energy: 1.3304279138060153
Energy: 1.3292635435309408
Energy: 1.284798064129264
Energy: 1.3298520369097135
Energy: 2.0742076598260635
Energy: 1.3256363864854035
Energy: 1.3254513639956333
Energy: 1.3292540815225111
Energy: 1.2861840219557579
Energy: 1.3288789430056998
Energy: 1.9337374861502103
Energy: 1.3259277110390355
Energy: 1.3262944975278903
Energy: 1.2883659255298519
Energy: 1.326125923285906
Energy: 1.3292234913298757
Energy: 1.687967973466211
Energy: 1.3292517640409802
Energy: 1.330767390731337
Energy: 1.2845192615198573
Energy: 1.3278172215521522
Energy: 1.3307340490802282
Energy: 1.6852565440114573
Energy: 1.2819786367509813
Energy: 1.284781132317656
Energy: 1.2833623395228906
Energy: 1.2822024203574114
Energy: 1.282430580053326
Energy: 1.5599715137933285
Energy: 1.3361611098257842
Energy: 1.336466444392199
Energy: 1.2740606361463631
Energy: 1.336408418231738
Energy: 1.3040518288777203
Energy: 1.4091899180347982
Energy: 1.2821086972041715
Energy: 1.2824582465347127
Energy: 1.2922918244831945
Energy: 1.3262452378922067
Energy: 1.2841383729162925
Energy: 1.4089594162304042
Energy: 1.2809276668979188
Energy: 1.2824101893265551
Energy: 1.2839900710186238
Energy: 1.2813413232868784
Energy: 1.2829910093223655
Energy: 1.5160096422983342
Energy: 1.3041349833167342
Energy: 1.309350595761768
Energy: 1.294111847752682
Energy: 1.302567648565486
Energy: 1.2926092655368215
Energy: 1.490925059477046
Energy: 1.2852151788406154
Energy: 1.2844132748580865
Energy: 1.2826798466390894
Energy: 1.279238448294703
Energy: 1.284582853607977
Energy: 1.491382702237075
Energy: 1.3302623706504888
Energy: 1.33080217580793
Energy: 1.2724247631196737
Energy: 1.3302032754589563
Energy: 1.3321811619092223
Energy: 1.9386289576570537
Energy: 1.3241359909224504
Energy: 1.323424267320223
Energy: 1.2903455572832443
Energy: 1.3274457637673573
Energy: 1.3375046148158514
Energy: 1.8947477404617694
Energy: 1.3322313243163821
Energy: 1.3322327177536673
Energy: 1.3315898228484995
Energy: 1.3328411478436792
Energy: 1.3320368038768418
Energy: 1.8936664087252084
Energy: 1.331352424071265
Energy: 1.3319634966417595
Energy: 1.331286963619482
Energy: 1.3314996336957667
Energy: 1.3314755948012718
Energy: 1.9735301705664132
Energy: 1.3314702404945278
Energy: 1.3322650724328275
Energy: 1.331748904697057
Energy: 1.3325247055919887
Energy: 1.3311558253657914
Energy: 2.1635954079042476
Energy: 1.3036303535771687
Energy: 1.31407891951274
Energy: 1.3228027760841894
Energy: 1.2751145938103592
Energy: 1.3145269848740722
Energy: 2.0968440492142224
Energy: 1.2702940563960892
Energy: 1.3326790761719234
Energy: 1.326249474752881
Energy: 1.274939265512181
Energy: 1.3311906384404442
Energy: 2.1734817242961144
Energy: 1.2858007736854264
Energy: 1.2830624252661536
Energy: 1.2346927315969167
Energy: 1.2815173256207117
Energy: 1.2821505898709509

minimum gb energy = 1.1928644197650062 eV
minimum distance =  2.39212270635664 Angstroms
sigma value = 33


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

Energy: 2.6634911817361115
Energy: 1.5145871403652018
Energy: 1.514836834012863
Energy: 1.4308877637006587
Energy: 1.4322314503718143
Energy: 1.5151651276259603
Energy: 1.8882693322494342
Energy: 1.4262951869604785
Energy: 1.4003634577426427
Energy: 1.402322333347732
Energy: 1.4319472276411709
Energy: 1.4011321136874066
Energy: 1.9729672999730472
Energy: 1.4270582055946106
Energy: 1.4003664526138702
Energy: 1.4095020453590201
Energy: 1.4285921150943226
Energy: 1.400928231759887
Energy: 2.1461656322263822
Energy: 1.4306547954502107
Energy: 1.4413698290415393
Energy: 1.408388092374548
Energy: 1.4308653917424843
Energy: 1.4111301292828036
Energy: 1.9748520029093224
Energy: 1.403754277720806
Energy: 1.3997682927562245
Energy: 1.4037977877946715
Energy: 1.428397714448169
Energy: 1.3983488029212772
Energy: 2.146153196076104
Energy: 1.4264812546815888
Energy: 1.4144460286395504
Energy: 1.4119976973920305
Energy: 1.4268952659924505
Energy: 1.4117782956584342
Energy: 2.14621962928135
Energy: 1.4160062585803674
Energy: 1.413748573409651
Energy: 1.4111200682946268
Energy: 1.4272124016797367
Energy: 1.4125435617221014
Energy: 1.9759621295734175
Energy: 1.396461914582896
Energy: 1.3994903513752457
Energy: 1.4277731580933173
Energy: 1.3958161844372519
Energy: 1.397680054558087
Energy: 1.656105764583794
Energy: 1.4020048435728374
Energy: 1.4099810633975844
Energy: 1.4264221849773733
Energy: 1.4031613300438306
Energy: 1.41083567438231
Energy: 1.658481471677814
Energy: 1.4009585453402964
Energy: 1.3998399164211937
Energy: 1.4284702187218068
Energy: 1.4021344247747416
Energy: 1.4001210347118818
Energy: 1.5996803696106436
Energy: 1.4042411143408549
Energy: 1.4047279622556406
Energy: 1.5643047287932803
Energy: 1.3997888497596898
Energy: 1.4058747918632832
Energy: 1.4318348929996414
Energy: 1.3965200800946227
Energy: 1.4006441804096406
Energy: 1.4308235264398004
Energy: 1.3962505935615754
Energy: 1.4006056760866246
Energy: 1.4310187428938514
Energy: 1.4026697656067866
Energy: 1.4005924612407752
Energy: 1.431199553655092
Energy: 1.4025985149624889
Energy: 1.4009063261750234
Energy: 1.7010753115685509
Energy: 1.412834212304846
Energy: 1.4294761869514259
Energy: 1.4311353830063847
Energy: 1.4119423495649868
Energy: 1.4276522376128622
Energy: 1.6597145730165257
Energy: 1.3999506661354306
Energy: 1.398945386230439
Energy: 1.4293175657905537
Energy: 1.40197685715297
Energy: 1.3992673554937824
Energy: 1.6567400625414568
Energy: 1.4108669606753588
Energy: 1.4102413002630547
Energy: 1.426845409027014
Energy: 1.4121384545192417
Energy: 1.4115693634719184
Energy: 1.9635728147989502
Energy: 1.4125005950127496
Energy: 1.4130275979464468
Energy: 1.4284549605104788
Energy: 1.4119472488033593
Energy: 1.4142282523531877
Energy: 1.8873514081344533
Energy: 1.4149228450168694
Energy: 1.4138007894963798
Energy: 1.3962759390062756
Energy: 1.4282180052223308
Energy: 1.3966087350451675
Energy: 1.8909274404408372
Energy: 1.426638853248468
Energy: 1.413400108479685
Energy: 1.397215672886071
Energy: 1.4265504023599451
Energy: 1.4109658294716776
Energy: 1.974015710640804
Energy: 1.3999841169031888
Energy: 1.4003353617533574
Energy: 1.4028942497409325
Energy: 1.4286302380705416
Energy: 1.3988887157197816
Energy: 2.3985895483416577
Energy: 1.4287773715214245
Energy: 1.395748364898944
Energy: 1.3985268716722212
Energy: 1.4277223778805779
Energy: 1.4036323290863983
Energy: 1.888784865330665
Energy: 1.427025132815764
Energy: 1.4004351490578908
Energy: 1.396240874255391
Energy: 1.4317200271881536
Energy: 1.4004772964146308
Energy: 1.9756743481443106
Energy: 1.4265005876982026
Energy: 1.4025205824586329
Energy: 1.4028421929516077
Energy: 1.4294096518605566
Energy: 1.4009857270120192
Energy: 2.1441260659045596
Energy: 1.430206982836984
Energy: 1.430476169293035
Energy: 1.4083198746390058
Energy: 1.450329573819951
Energy: 1.4358925863914453
Energy: 1.9765345350148176
Energy: 1.4045611465148307
Energy: 1.401028194888602
Energy: 1.402881566466804
Energy: 1.4008985322196703
Energy: 1.3999496044769855
Energy: 1.3885403907918392
Energy: 1.4262326032042736
Energy: 1.411761699404383
Energy: 1.4124320896541365
Energy: 1.426020157548854
Energy: 1.4095802190299724
Energy: 2.147731385652569
Energy: 1.4275749222788159
Energy: 1.4154757230444464
Energy: 1.4114212486127202
Energy: 1.428242230202135
Energy: 1.4140982407422378
Energy: 1.9751058490206672
Energy: 1.3969442001900112
Energy: 1.3966811597078603
Energy: 1.4274010354255733
Energy: 1.401239271911698
Energy: 1.4122083390543405
Energy: 1.6572364843656504
Energy: 1.3969700032501853
Energy: 1.3970272575537819
Energy: 1.4277715197867689
Energy: 1.4002404785336855
Energy: 1.413028347838934
Energy: 1.6571351866377413
Energy: 1.3991998404602168
Energy: 1.3981135977955474
Energy: 1.427739023895691
Energy: 1.4027216160090743
Energy: 1.3989949316636359
Energy: 1.7435639201647175
Energy: 1.397709535326601
Energy: 1.3998682088507144
Energy: 1.427126970148288
Energy: 1.3973272555345304
Energy: 1.4039255773291177
Energy: 1.4309054335896683
Energy: 1.3967859676223784
Energy: 1.397074844894663
Energy: 1.4312553100773002
Energy: 1.3968910580069325
Energy: 1.4002737951740798
Energy: 1.431506859069687
Energy: 1.4007246969479634
Energy: 1.3998287001280871
Energy: 1.4316097662019485
Energy: 1.4022743482336162
Energy: 1.4011051947701962
Energy: 1.430824794278539
Energy: 1.4106848692190184
Energy: 1.4297366289078757
Energy: 1.4309747639968782
Energy: 1.4082820493070993
Energy: 1.4300083900129978
Energy: 1.6591976295315607
Energy: 1.4021081640906916
Energy: 1.4015381299425975
Energy: 1.4286222448248314
Energy: 1.4023113225371044
Energy: 1.4013049914311886
Energy: 1.6560107043520504
Energy: 1.4106030697373235
Energy: 1.409094514027815
Energy: 1.4268846108799782
Energy: 1.4128429416732995
Energy: 1.4101863150435574
Energy: 1.6564739313118921
Energy: 1.4133016158919012
Energy: 1.4141653708619224
Energy: 1.4627873965084257
Energy: 1.4127352062184326
Energy: 1.4146026121474282
Energy: 1.89325149849569
Energy: 1.4137860689974386
Energy: 1.4114046939578324
Energy: 1.4053672316971517
Energy: 1.4301145227341594
Energy: 1.4103561450435451
Energy: 1.8870882033470593
Energy: 1.4275925526513251
Energy: 1.415563790913848
Energy: 1.396052976557589
Energy: 1.4283593572137456
Energy: 1.397436653699141
Energy: 1.9738362204415285
Energy: 1.4264783069080529
Energy: 1.4005311306173123
Energy: 1.4033155876163903
Energy: 1.4267122886432546
Energy: 1.398221730360828
Energy: 2.4032095879725865
Energy: 1.4007857287913315
Energy: 1.402275367663651
Energy: 1.3967727461164727
Energy: 1.427061782790971
Energy: 1.4000375650940027

minimum gb energy = 1.3885403907918392 eV
minimum distance =  2.39504648300554 Angstroms
sigma value = 51


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

Energy: 2.506410531519636
Energy: 1.4722184585144957
Energy: 1.449400190822499
Energy: 1.3801610074076889
Energy: 1.4690257862096718
Energy: 1.3243346858279654
Energy: 2.160232720381294
Energy: 1.4391910440489935
Energy: 1.4183694530731885
Energy: 1.3546521227646977
Energy: 1.4375475224849603
Energy: 1.353426244015756
Energy: 2.186416815860847
Energy: 1.4381963698464322
Energy: 1.4209284251202552
Energy: 1.3537497702544536
Energy: 1.4373828666343804
Energy: 1.420370180862554
Energy: 2.185455237132988
Energy: 1.4615078123542975
Energy: 1.4226837982565708
Energy: 1.347882460218855
Energy: 1.4605525428194595
Energy: 1.3458268576275743
Energy: 1.3550248983817526
Energy: 1.3519242384537085
Energy: 1.3518431372700976
Energy: 1.3564281279962396
Energy: 1.4230928744890594
Energy: 1.3530011226582097
Energy: 1.8767950784548775
Energy: 1.3526466750202064
Energy: 1.3527373043861344
Energy: 1.3535006332537594
Energy: 1.3532783011291083
Energy: 1.3524330896402794
Energy: 1.8767016397946148
Energy: 1.3542445739389846
Energy: 1.3531539641752561
Energy: 1.3534559535531792
Energy: 1.3560524722624052
Energy: 1.3521914243931157
Energy: 1.7647938513509265
Energy: 1.4592999006087224
Energy: 1.4594616479562896
Energy: 1.5146147449971192
Energy: 1.461107765802958
Energy: 1.4539880300806944
Energy: 1.491968891924267
Energy: 1.434994377561849
Energy: 1.4354448332716376
Energy: 1.4397144011717915
Energy: 1.434830521171431
Energy: 1.4196222953196194
Energy: 1.491455258689447
Energy: 1.3538511864868352
Energy: 1.3539321320265203
Energy: 1.4364797298859895
Energy: 1.3551315901700196
Energy: 1.419168495239716
Energy: 1.492259298653977
Energy: 1.382591876876124
Energy: 1.3812678337366089
Energy: 1.4378685594014664
Energy: 1.3489636631908917
Energy: 1.381350841806724
Energy: 1.604294386776709
Energy: 1.3527745491114325
Energy: 1.353310418087062
Energy: 1.4395870753323425
Energy: 1.3494082999112724
Energy: 1.353635597896385
Energy: 1.6027241727487518
Energy: 1.4910229269881223
Energy: 1.4202851086168204
Energy: 1.4371829720549996
Energy: 1.4191164784723842
Energy: 1.4221014063597992
Energy: 1.6031095304965834
Energy: 1.3508134854483882
Energy: 1.3510980693108734
Energy: 1.392713621860694
Energy: 1.3513207385221155
Energy: 1.3510891195622707
Energy: 2.0138631901453348
Energy: 1.4237164917080098
Energy: 1.4227242780562706
Energy: 1.491730936455141
Energy: 1.4216143832396666
Energy: 1.419080601288056
Energy: 2.014412357043876
Energy: 1.4406593419996458
Energy: 1.4247285753878849
Energy: 1.3205023650251198
Energy: 1.437928854745209
Energy: 1.3186701983426588
Energy: 1.3559836072939953
Energy: 1.4410599537360216
Energy: 1.4229816595306353
Energy: 1.3560208756058976
Energy: 1.4374400841419823
Energy: 1.4218040334741286
Energy: 2.3566719447185545
Energy: 1.4299389173545551
Energy: 1.3392824118247812
Energy: 1.3867548868158335
Energy: 1.4406513613258514
Energy: 1.3392803285630672

minimum gb energy = 1.3186701983426588 eV
minimum distance =  2.40129185784408 Angstroms
sigma value = 19


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

Energy: 2.142416354547415
Energy: 1.4705360698148089
Energy: 1.4705340475812232
Energy: 1.575511112256309
Energy: 1.4314741433835696
Energy: 1.4708767867483747
Energy: 1.8847894021120777
Energy: 1.4320339565960873
Energy: 1.432363924258692
Energy: 1.4747651963215092
Energy: 1.432712195142496
Energy: 1.4317730056192162
Energy: 2.2073000293260776
Energy: 1.4318565993508334
Energy: 1.4318333624214292
Energy: 1.4745342387192868
Energy: 1.432462025604779
Energy: 1.433167119175875
Energy: 1.757921696231497
Energy: 1.4326271060668576
Energy: 1.4318091517831206
Energy: 1.4900252692091258
Energy: 1.4339809287408691
Energy: 1.4317739911155989
Energy: 1.7656335249465143
Energy: 1.4317963061046204
Energy: 1.4746252242026485
Energy: 1.4749300832489158
Energy: 1.4318844591393634
Energy: 1.4762471414342508
Energy: 1.7650724650753604
Energy: 1.3959363521169703
Energy: 1.4744020780495388
Energy: 1.4750674828313328
Energy: 1.3955685237963018
Energy: 1.4750738022757142
Energy: 1.7668350511671795
Energy: 1.408920203661401
Energy: 1.4753085795815486
Energy: 1.4745058407024443
Energy: 1.4083944554062686
Energy: 1.4756251833851604
Energy: 1.606479957303199
Energy: 1.3976312235672381
Energy: 1.397192147030896
Energy: 1.4322735714116528
Energy: 1.3956862075348881
Energy: 1.3964657734887649
Energy: 1.4323494485683532
Energy: 1.3967767865372929
Energy: 1.3965091357890353
Energy: 1.4321252094935184
Energy: 1.396156872881444
Energy: 1.3956717349779852
Energy: 1.4318963326247212
Energy: 1.4750292439058648
Energy: 1.4319080278280032
Energy: 1.4323591048028097
Energy: 1.4746248350661895
Energy: 1.432245861356851
Energy: 1.4312101640460995
Energy: 1.4893377285547473
Energy: 1.490645126080292
Energy: 1.4319826855361097
Energy: 1.496201854534084
Energy: 1.4325969757334125
Energy: 1.608533522342006
Energy: 1.474895610812493
Energy: 1.4737926554885423
Energy: 1.4322103859512407
Energy: 1.4744554144186635
Energy: 1.4318091763137302
Energy: 1.395763332670547
Energy: 1.4744051890816132
Energy: 1.474917710023706
Energy: 1.3958707623669155
Energy: 1.4747416087202956
Energy: 1.475553646344322
Energy: 1.6084244539763033
Energy: 1.4751860249293833
Energy: 1.4752606652812055
Energy: 1.4079127457981788
Energy: 1.4754265153313895
Energy: 1.475249839565034
Energy: 2.1077060669938144
Energy: 1.431858971961066
Energy: 1.4321024141839578
Energy: 1.3967534897732774
Energy: 1.4323233897091672
Energy: 1.3959129932923868
Energy: 2.1081108209405537
Energy: 1.4078147021557772
Energy: 1.3963774691883155
Energy: 1.3966157595600153
Energy: 1.4322798840464046
Energy: 1.3960451130157596
Energy: 1.7659766901863567
Energy: 1.433167022039203
Energy: 1.4324819424579638
Energy: 1.4754328260097973
Energy: 1.432355181878832
Energy: 1.4317316373399533
Energy: 1.7584988496798402
Energy: 1.4327241998670714
Energy: 1.4341721667371123
Energy: 1.4892089392379784
Energy: 1.4322948443341648
Energy: 1.4330755444785166
Energy: 1.7590441868343971
Energy: 1.4319289118918157
Energy: 1.4328006079478974
Energy: 1.4887334807537649
Energy: 1.4325920078843488
Energy: 1.432228850576546
Energy: 1.7654903252128837
Energy: 1.3957114230274552
Energy: 1.475013231068145
Energy: 1.4750690228819314
Energy: 1.3954355467287363
Energy: 1.4743184034740622
Energy: 1.7645921479028595
Energy: 1.4319129464587212
Energy: 1.4750488590307524
Energy: 1.4780084066430115
Energy: 1.4319336144907489
Energy: 1.4750362181606747
Energy: 1.7647335861859603
Energy: 1.4744857331169476
Energy: 1.4742941929969673
Energy: 1.431333209975401
Energy: 1.4083799786026485
Energy: 1.4742726061823301
Energy: 1.608155176160638
Energy: 1.3963271724564674
Energy: 1.3963741362246
Energy: 1.431799311059493
Energy: 1.3957541824962099
Energy: 1.3963517949080724
Energy: 1.432544086311697
Energy: 1.432001587402938
Energy: 1.4319367501705593
Energy: 1.4327972030321767
Energy: 1.4545620380976112
Energy: 1.4318179070603123
Energy: 1.4325169479783901
Energy: 1.476323365776179
Energy: 1.4327226126084198
Energy: 1.4324767722491112
Energy: 1.4748308487595312
Energy: 1.4320304786057723
Energy: 1.4083247815942623
Energy: 1.4898253638737966
Energy: 1.4890106307100863
Energy: 1.4320281706990208
Energy: 1.490625432617054
Energy: 1.4321895595395115
Energy: 1.765199935563979
Energy: 1.4750240941496067
Energy: 1.4744845151898112
Energy: 1.4322828385995119
Energy: 1.4746536790905294
Energy: 1.47546132383987
Energy: 1.395421548771713
Energy: 1.4745209351228308
Energy: 1.476419008336573
Energy: 1.395376441067316
Energy: 1.4747992244592099
Energy: 1.4738489894376077
Energy: 1.6075019813195175
Energy: 1.4744003329950515
Energy: 1.4761076723197537
Energy: 1.4090876207855407
Energy: 1.474528863445715
Energy: 1.4744246041109808
Energy: 2.1073096430552183
Energy: 1.4072508738245708
Energy: 1.3961049700792543
Energy: 1.3986184863399784
Energy: 1.4320303621257005
Energy: 1.39711900536468

minimum gb energy = 1.395376441067316 eV
minimum distance =  2.39667125830974 Angstroms
sigma value = 27


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

Energy: 1.7679044110342281
Energy: 1.1556753426936617
Energy: 1.161372206522364
Energy: 1.3079979461646238
Energy: 1.2808358511570503
Energy: 1.1593093732394986
Energy: 1.4652019824788631
Energy: 1.2140006364613265
Energy: 1.213805506861395
Energy: 1.214087453928569
Energy: 1.2151340310211403
Energy: 1.214255278013814
Energy: 1.5507116763036222
Energy: 1.2821887940384105
Energy: 1.2821948147946958
Energy: 1.214218535263683
Energy: 1.2831066857908218
Energy: 1.214563349751908
Energy: 1.4639524668365311
Energy: 1.3284309265021024
Energy: 1.2138548548691033
Energy: 1.213745063648321
Energy: 1.2149862235088076
Energy: 1.2142330875192475
Energy: 1.6718740144408681
Energy: 1.1562736853437678
Energy: 1.214008118610134
Energy: 1.2136576819290559
Energy: 1.1565629067633116
Energy: 1.2140849374149252
Energy: 1.409307913274613
Energy: 1.318908461910306
Energy: 1.2524462117199713
Energy: 1.409982411063164
Energy: 1.318560211145333
Energy: 1.155682216164697
Energy: 1.4097229214157578
Energy: 1.215171268540487
Energy: 1.215904529527584
Energy: 1.4098192984408533
Energy: 1.2577542794704515
Energy: 1.214804444807223
Energy: 1.4819962419889587
Energy: 1.2511254361635817
Energy: 1.2527341259164049
Energy: 1.4819336276976858
Energy: 1.2508775087749655
Energy: 1.213223728594705
Energy: 1.551274921879379
Energy: 1.2133899888421493
Energy: 1.2648773347608835
Energy: 1.2152845093945654
Energy: 1.2127916799228864
Energy: 1.2617656813218812
Energy: 1.5515174653413724
Energy: 1.2153954962544251
Energy: 1.2821472809451806
Energy: 1.2821637474407142
Energy: 1.2158065041224058
Energy: 1.2830464910347104
Energy: 1.5507168397519149
Energy: 1.3304881262154165
Energy: 1.3311550943245989
Energy: 1.2827926137900327
Energy: 1.3337485622876797
Energy: 1.2600304268848972
Energy: 1.551233580809373
Energy: 1.2143948581129564
Energy: 1.213661881452627
Energy: 1.2141070555136677
Energy: 1.2152570081191316
Energy: 1.2138603271799637

minimum gb energy = 1.1556753426936617 eV
minimum distance =  2.42653028474052 Angstroms
sigma value = 9


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

Energy: 1.756301037689228
Energy: 1.1656985298792857
Energy: 1.1331692817857058
Energy: 1.1541080626835316
Energy: 1.1502644420642965
Energy: 1.157617415189014
Energy: 1.1772361078116114
Energy: 1.1497950305102638
Energy: 1.1306235659418518
Energy: 1.1309266984191344
Energy: 1.1301531724044822
Energy: 1.1301505367438984
Energy: 1.2991647324326985
Energy: 1.1479266636420868
Energy: 1.1298964639522482
Energy: 1.1556619055723392
Energy: 1.1286992736723354
Energy: 1.1516109401811192
Energy: 1.2996557051076945
Energy: 1.1322390772308124
Energy: 1.1274169496492341
Energy: 1.1462582329128785
Energy: 1.1297843317671326
Energy: 1.1267856252007082
Energy: 1.1636502698495617
Energy: 1.1604779690995717
Energy: 1.1250330913281343
Energy: 1.139955040678865
Energy: 1.127583374810164
Energy: 1.149814649017321
Energy: 1.2128409209862803
Energy: 1.1347666721037812
Energy: 1.1256368271430663
Energy: 1.171306031774086
Energy: 1.1221486552831477
Energy: 1.1249929333279818
Energy: 1.2141462341897906
Energy: 1.132733507959798
Energy: 1.129468011747916
Energy: 1.2142513581975125
Energy: 1.1285105282603263
Energy: 1.129170372169131
Energy: 1.239657102161126
Energy: 1.1297813928319234
Energy: 1.1282428515287897
Energy: 1.2397871870550414
Energy: 1.1249575013562656
Energy: 1.1293025085112582
Energy: 1.4373899232972256
Energy: 1.1501186529422902
Energy: 1.1484010138373726
Energy: 1.1278112756121645
Energy: 1.1300727167642717
Energy: 1.1303797797982196
Energy: 1.1709291940833388
Energy: 1.1281095458137396
Energy: 1.1284341621082055
Energy: 1.1326293252341064
Energy: 1.1281256918160347
Energy: 1.128572994456931
Energy: 1.1708261057194214
Energy: 1.1319491156665349
Energy: 1.1318040326644259
Energy: 1.1250020829562373
Energy: 1.17308260070215
Energy: 1.1497332758015648
Energy: 1.6147393888305366
Energy: 1.1581714293385974
Energy: 1.1462918866380305
Energy: 1.127124849236834
Energy: 1.1713911866157931
Energy: 1.1511429442769736
Energy: 1.7288368494616047
Energy: 1.161989749234864
Energy: 1.1401863376315513
Energy: 1.1510019306236123
Energy: 1.4390143023430344
Energy: 1.1459747110216665
Energy: 1.6138506354772115
Energy: 1.146983366815452
Energy: 1.1474808670316707
Energy: 1.1277471456258494
Energy: 1.1545184757275877
Energy: 1.1520637247691197
Energy: 1.2031015066720718
Energy: 1.1155003985099514
Energy: 1.1112343495238208
Energy: 1.1271627918677205
Energy: 1.111123500072617
Energy: 1.1425287286737704
Energy: 1.2032242495281364
Energy: 1.1264198477704084
Energy: 1.142900676303528
Energy: 1.1978983483804626
Energy: 1.1318473296082119
Energy: 1.150184227268944
Energy: 1.201659903314795
Energy: 1.1497927494568083
Energy: 1.1461868627551122
Energy: 1.1293215156635248
Energy: 1.1269911319383723
Energy: 1.1419461889534421
Energy: 1.3231467458636372
Energy: 1.1418266152091912
Energy: 1.1430322400867743
Energy: 1.1366627361328
Energy: 1.1421185859253393
Energy: 1.1440691928933637
Energy: 1.3000885960707045
Energy: 1.1256603528095772
Energy: 1.1269559348726166
Energy: 1.130997534668458
Energy: 1.1268543869897383
Energy: 1.1283635427195235
Energy: 1.2984344752436852
Energy: 1.1251860951797188
Energy: 1.1242786057510823
Energy: 1.127709517125707
Energy: 1.1281057739171185
Energy: 1.1274220006290725
Energy: 1.300443847162646
Energy: 1.1455621600093961
Energy: 1.1430886319725502
Energy: 1.147655785027708
Energy: 1.1500004685643277
Energy: 1.1291359363499816
Energy: 1.3632193089126385
Energy: 1.1376944704891754
Energy: 1.126991178623656
Energy: 1.1295389951918393
Energy: 1.1401267931630785
Energy: 1.1220310273777163
Energy: 1.6353576255977476
Energy: 1.1299741152379477
Energy: 1.139613243926518
Energy: 1.130603677341044
Energy: 1.1303090613783493
Energy: 1.1250766548329723
Energy: 1.298283269166503
Energy: 1.131449382996361
Energy: 1.148557607573909
Energy: 1.1552185849424546
Energy: 1.1278754404162745
Energy: 1.142523711459344
Energy: 1.6119007294753271
Energy: 1.1315699474843013
Energy: 1.1414795774307827
Energy: 1.1291312502803217
Energy: 1.1294936363418828
Energy: 1.1393809081829127
Energy: 1.15003264706939
Energy: 1.1296283016536364
Energy: 1.1519803925320753
Energy: 1.1393901757926266
Energy: 1.1292424025780843
Energy: 1.1494965077275499
Energy: 1.4097316755020783
Energy: 1.133917394326779
Energy: 1.1308604457952496
Energy: 1.4216061927693562
Energy: 1.1220747284959456
Energy: 1.1483855210589413
Energy: 1.2133419114743753
Energy: 1.1289186048974085
Energy: 1.1308219312427559
Energy: 1.171794635708221
Energy: 1.1270502735821168
Energy: 1.1507282471816487
Energy: 1.2130954020835096
Energy: 1.1513024828152807
Energy: 1.1503503055105708
Energy: 1.1710110118275714
Energy: 1.1295209835391862
Energy: 1.1307774732474802
Energy: 1.2458729569742502
Energy: 1.1410635741394382
Energy: 1.1288624621126653
Energy: 1.1286628201823994
Energy: 1.1248091258733128
Energy: 1.1291093566450232
Energy: 1.1710659118230968
Energy: 1.1325149533434433
Energy: 1.1307525552292075
Energy: 1.1254306157462834
Energy: 1.1280531763547834
Energy: 1.1299630667548304
Energy: 2.0344925071991224
Energy: 1.1345298278112168
Energy: 1.1291127449413247
Energy: 1.1251268252240265
Energy: 1.1325514622736075
Energy: 1.12771239076349
Energy: 1.6161217256895792
Energy: 1.149370985601374
Energy: 1.1281388735494797
Energy: 1.1259970250651439
Energy: 1.1712265235483668
Energy: 1.1287948891045851
Energy: 1.2729222155405489
Energy: 1.1550433654203558
Energy: 1.1482815994942808
Energy: 1.1294018328632096
Energy: 1.1406275917568274
Energy: 1.1274300599211062
Energy: 1.4377208014277423
Energy: 1.1487275853232417
Energy: 1.148655900478251
Energy: 1.1297141871911074
Energy: 1.1404755240012132
Energy: 1.1486638665777105
Energy: 1.2546962334597553
Energy: 1.1133927647479485
Energy: 1.132586398586292
Energy: 1.1306673335270156
Energy: 1.114795393129799
Energy: 1.1271858212828962
Energy: 1.2029177077183164
Energy: 1.1471443740350618
Energy: 1.1451346275818857
Energy: 1.1995524470502277
Energy: 1.1374970991616289
Energy: 1.1298321947514456
Energy: 1.2016534017135996
Energy: 1.1300413328309649
Energy: 1.13024849964685
Energy: 1.1273122910953421
Energy: 1.1309562897667123
Energy: 1.1299332089528
Energy: 1.2018960217590562
Energy: 1.162463410868959
Energy: 1.1737841835571698
Energy: 1.1259604253354298
Energy: 1.1611859614975149
Energy: 1.1497596116592774
Energy: 1.3004183847485733
Energy: 1.1313942355941422
Energy: 1.1315379153634724
Energy: 1.1294319189068671
Energy: 1.1317425266646608
Energy: 1.1311741128075763
Energy: 1.295060653890738
Energy: 1.1169810025950349
Energy: 1.1163322602235193
Energy: 1.144642889683294
Energy: 1.1284714396988076
Energy: 1.1416971181955462
Energy: 1.300475726955117
Energy: 1.1251759419189713
Energy: 1.1249556338203284
Energy: 1.1546543245657417
Energy: 1.1269115518444996
Energy: 1.1396332136125003
Energy: 1.6347374263458474
Energy: 1.1381949653799046
Energy: 1.1390418217634086
Energy: 1.1299560779610367
Energy: 1.1487143958362405
Energy: 1.1249403894802854

minimum gb energy = 1.111123500072617 eV
minimum distance =  2.38929872066113 Angstroms
sigma value = 57


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

Energy: 1.0055139778484312
Energy: 0.9179435277085659
Energy: 0.6201934099189335
Energy: 0.6224547170817325
Energy: 1.088550423131919
Energy: 0.9151195636468175
Energy: 1.0074308897596005
Energy: 1.030180977765845
Energy: 1.0376785657345529
Energy: 1.0398816796806207
Energy: 1.0332019645919472
Energy: 1.0342888165344757
Energy: 1.2858313019634873
Energy: 1.1108244389596005
Energy: 1.031192523325786
Energy: 1.0478843385175296
Energy: 1.1137720696548798
Energy: 1.1035041819688232
Energy: 1.2860501713491546
Energy: 1.1107840399883004
Energy: 1.1097040150452488
Energy: 1.11698406840728
Energy: 1.1176705522132937
Energy: 1.1041874941189187
Energy: 1.280635072187194
Energy: 0.6218727905313449
Energy: 0.6204894993183052
Energy: 1.0353163683974462
Energy: 0.621332319507145
Energy: 1.1195179389113694
Energy: 1.350486827607365
Energy: 0.6191322385904885
Energy: 0.6221365370883443
Energy: 1.125295374414577
Energy: 0.6207026616124394
Energy: 0.6195667937309817
Energy: 1.3409802798644348
Energy: 1.1183083867229788
Energy: 1.1053104639430757
Energy: 1.1172183313367334
Energy: 1.112779267912086
Energy: 1.1167866768791066
Energy: 1.351571287550997
Energy: 1.2214658124481172
Energy: 1.1062090716187936
Energy: 1.224801133827699
Energy: 1.108443056244402
Energy: 1.1084300352918124
Energy: 1.401515247373398
Energy: 1.214974582209584
Energy: 1.217903507187286
Energy: 1.2278653635936967
Energy: 1.2225852707323959
Energy: 1.2195540828480251
Energy: 0.6599606440276784
Energy: 1.2378760557236563
Energy: 0.619319715494037
Energy: 0.6219292900517
Energy: 1.233452217804926
Energy: 0.6206520329545928
Energy: 0.6600297830941345
Energy: 1.2348929672688547
Energy: 1.2366445274608047
Energy: 0.6209106728191984
Energy: 1.2436480899758486
Energy: 0.6208143973857375
Energy: 1.4029193135302345
Energy: 1.2135728182941445
Energy: 1.21419028237516
Energy: 1.2277117386675958
Energy: 1.2231808539987803
Energy: 1.2173324207998206
Energy: 1.928390914432572
Energy: 1.1096585167871083
Energy: 1.2108203433999958
Energy: 1.2293924125246958
Energy: 1.1099728605366266
Energy: 1.1056486079849959
Energy: 1.4011631794041763
Energy: 1.1242306601209975
Energy: 1.1087455744943835
Energy: 1.1167221110336543
Energy: 1.1167381981115967
Energy: 1.1253585637522465
Energy: 1.4112565898083982
Energy: 0.6223046554314757
Energy: 0.6185663051309119
Energy: 1.1470075910372564
Energy: 0.6211569538100815
Energy: 0.61969598035195
Energy: 1.2205692095099734
Energy: 1.1109351838729684
Energy: 1.1264860056699784
Energy: 1.0367287381615347
Energy: 0.6224439258159911
Energy: 1.1093706047403593
Energy: 1.223894145535199
Energy: 1.1045065565500918
Energy: 1.1069815825807328
Energy: 1.1105366422199527
Energy: 1.1132460650091487
Energy: 1.102078542849041
Energy: 1.2837368805077978
Energy: 1.1111856690802357
Energy: 1.0345078674328017
Energy: 1.0364895266057448
Energy: 1.0376178447530153
Energy: 1.107024175575689
Energy: 1.0075477020580692
Energy: 1.0338694934215287
Energy: 1.0330829049394716
Energy: 0.6208895966089227
Energy: 1.0329169313449063
Energy: 1.0469598723142597

minimum gb energy = 0.6185663051309119 eV
minimum distance =  2.38356044875748 Angstroms
sigma value = 11


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

Energy: 1.8974596879727574
Energy: 0.8891649106321833
Energy: 1.1278364325650556
Energy: 0.9017706318367615
Energy: 1.0085201202309984
Energy: 1.1254750537917353
Energy: 0.9604633822850801
Energy: 0.8930770204376577
Energy: 0.8955514687867661
Energy: 0.8880796768741762
Energy: 0.8894344540165653
Energy: 0.8954186770112325
Energy: 0.9517825252738278
Energy: 0.8886874385197113
Energy: 0.8916443606815675
Energy: 0.887437917241708
Energy: 0.8872799945498961
Energy: 0.8915850126138897
Energy: 0.9507245372700188
Energy: 0.8904251910399373
Energy: 0.8908722160677468
Energy: 0.8870065324791141
Energy: 0.8871604299881145
Energy: 0.8918018035486843
Energy: 0.9363758557682982
Energy: 1.010889177013274
Energy: 1.0120412545011814
Energy: 0.8891923889673675
Energy: 1.0083706213388246
Energy: 0.8919282527441877
Energy: 0.9958399069358324
Energy: 0.8977767781239505
Energy: 0.8962480469912818
Energy: 0.8861104010970668
Energy: 0.8912554289494082
Energy: 1.010683731149744
Energy: 1.0035289816624504
Energy: 0.8917511125303351
Energy: 0.8921903022697134
Energy: 0.8886829913225092
Energy: 0.8882793719751849
Energy: 0.8923321619307832
Energy: 0.963736299495554
Energy: 1.1166396167412684
Energy: 1.1148540421247715
Energy: 0.8848860558708803
Energy: 1.1194466317709444
Energy: 0.9020342329124037
Energy: 0.9983433465157943
Energy: 0.8882081790242433
Energy: 0.8907055965597086
Energy: 0.8895158654448264
Energy: 0.8884427707683724
Energy: 0.892230106486494
Energy: 1.3470071719313672
Energy: 0.8950046096224905
Energy: 1.0136486948148433
Energy: 0.8896842156626995
Energy: 0.8879086114798367
Energy: 0.8930862376907235
Energy: 1.4438520961546315
Energy: 1.0075486280887005
Energy: 1.011482389307674
Energy: 1.0083348440801396
Energy: 1.0083663752836227
Energy: 1.0125285467911778
Energy: 1.1875805857642876
Energy: 0.8863871581646002
Energy: 0.8903490716360634
Energy: 1.11860195905832
Energy: 0.8923451145291441
Energy: 0.8885382860105142
Energy: 1.3826331379727534
Energy: 0.8875262662967669
Energy: 0.887364081364425
Energy: 1.1097759450676932
Energy: 0.893549093306823
Energy: 0.8887279857448087
Energy: 1.1860404255194443
Energy: 1.1266374024376253
Energy: 1.1278203402135891
Energy: 1.1264830430302872
Energy: 1.1260016681836142
Energy: 1.1272067909699448
Energy: 1.1856479140672858
Energy: 0.8908170885733189
Energy: 0.8919224378150667
Energy: 1.0110317704655025
Energy: 0.8894782676140525
Energy: 1.0135202477614673
Energy: 1.4430649946527507
Energy: 1.1301966224210807
Energy: 1.1283398959574649
Energy: 1.009910002018224
Energy: 1.0119428701038318
Energy: 1.1284729102334237
Energy: 1.614840549549963
Energy: 0.9038315605103888
Energy: 0.8917872602476655
Energy: 1.289881190811799
Energy: 0.9037142495869612
Energy: 0.8924318604736201
Energy: 1.8603519658192849
Energy: 1.010558246072011
Energy: 1.010797757116916
Energy: 0.8878028866810378
Energy: 1.0092565399500866
Energy: 1.0114985134574435
Energy: 1.0353107190563784
Energy: 0.8922355541008924
Energy: 0.8911276663177324
Energy: 0.8870348510443726
Energy: 0.8868868917646445
Energy: 0.89029312226151
Energy: 1.3016647024188317
Energy: 1.1025973038745576
Energy: 1.1228852502872289
Energy: 1.0889824565177388
Energy: 1.1171518082156158
Energy: 1.119158735979985
Energy: 1.4429260372651709
Energy: 1.0079627607820325
Energy: 1.0108114133454875
Energy: 1.0099257991523967
Energy: 1.1235601276901463
Energy: 1.008956208200956
Energy: 0.941616688377596
Energy: 0.891942438682376
Energy: 0.8927652489045544
Energy: 1.0114921237912584
Energy: 0.8908654057852231
Energy: 1.1285388915705523
Energy: 0.9438062006789832
Energy: 1.0085787500941048
Energy: 1.012362032451825
Energy: 0.8864692790962828
Energy: 1.0084109727295565
Energy: 1.0121879055200722
Energy: 1.1371666739365114
Energy: 0.8886617406268904
Energy: 0.888514467764143
Energy: 1.110077954238297
Energy: 0.8872875494143623
Energy: 0.8946255500552421
Energy: 1.1255714121403682
Energy: 0.8896563659607413
Energy: 0.8897310318342356
Energy: 1.1040019592606054
Energy: 0.8873498409983716
Energy: 0.8882227370153405
Energy: 1.0311998648412812
Energy: 0.8895596467714567
Energy: 0.8920464028544763
Energy: 1.1219247272144854
Energy: 0.88748137890928
Energy: 0.8927860218176026

minimum gb energy = 0.8848860558708803 eV
minimum distance =  2.43328408375108 Angstroms
sigma value = 41


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

Energy: 2.0771176576635075
Energy: 0.9439124296824762
Energy: 0.9436313889514741
Energy: 1.709323155154196
Energy: 1.3291808846280386
Energy: 0.9750275605040637
Energy: 1.0423256793766946
Energy: 0.944663728634356
Energy: 0.9440511624122846
Energy: 0.9483772340853818
Energy: 0.9468746038927184
Energy: 0.9441889040712367
Energy: 1.0033485483633275
Energy: 0.9455480915769306
Energy: 0.9455277109096791
Energy: 0.9459981528511174
Energy: 0.9459927225112775
Energy: 0.9456310484723356
Energy: 1.0033986681206268
Energy: 0.9471208860222144
Energy: 0.9455185453796165
Energy: 0.9462690786460581
Energy: 0.9469679676901075
Energy: 0.946640180494719
Energy: 1.0034293479627288
Energy: 0.9550080586349747
Energy: 0.9623830321182968
Energy: 0.9452060811308939
Energy: 0.95193217605805
Energy: 0.945376926871853
Energy: 1.09562237998631
Energy: 0.9482297132869606
Energy: 0.9500027320054697
Energy: 0.947558881269918
Energy: 0.9499567527082707
Energy: 0.955135714612434
Energy: 1.0975763197325343
Energy: 0.94844578064553
Energy: 0.9469008996073486
Energy: 0.9474194981059421
Energy: 0.9490627779745373
Energy: 0.9460751693314782
Energy: 1.0412589529331215
Energy: 0.9469095025300583
Energy: 0.9478383303978359
Energy: 0.9500292207988213
Energy: 0.9459307599483652
Energy: 0.9779784330162982
Energy: 1.099029186988154
Energy: 0.9449413057801342
Energy: 0.9488630439605092
Energy: 0.9455836209860538
Energy: 0.9474656352446289
Energy: 0.9471026744172385
Energy: 1.0987520130806976
Energy: 0.9469758181920008
Energy: 0.9461815164132121
Energy: 0.9506177116394612
Energy: 0.9491760291542554
Energy: 0.944838963272357
Energy: 1.098012657971225
Energy: 0.9478816442822569
Energy: 0.9469277879680635
Energy: 0.95154629945046
Energy: 0.9489438283933855
Energy: 0.9477857319887126
Energy: 1.095172816285738
Energy: 0.9427015895644143
Energy: 0.9430027990496587
Energy: 0.9488270663882434
Energy: 0.9455869385265906
Energy: 0.946861646844062
Energy: 1.0080972529509202
Energy: 0.9440333930690218
Energy: 0.9428797806805609
Energy: 0.948976812570228
Energy: 0.944589027432683
Energy: 0.9446144625304576
Energy: 1.0126749677420641
Energy: 0.944060642183023
Energy: 0.9431808443952104
Energy: 0.9493949861590555
Energy: 0.9451621312671251
Energy: 0.9432045321488977
Energy: 1.010421722384954
Energy: 0.944754369948934
Energy: 0.9442888127609964
Energy: 0.9462939617598738
Energy: 0.9699396804161761
Energy: 0.9460533165754895
Energy: 1.0063918019415918
Energy: 0.9460774048619691
Energy: 0.9448039293997591
Energy: 0.9491261058996857
Energy: 0.9451317189847027
Energy: 0.9453965946008531
Energy: 2.064256385213563
Energy: 0.9583270051089053
Energy: 0.9495300873413405
Energy: 0.9498765000133899
Energy: 0.9474506926905939
Energy: 0.9518017991708296
Energy: 1.040872441951623
Energy: 0.9482453526202698
Energy: 0.9462953946403767
Energy: 0.9465543409385518
Energy: 0.9494768521397985
Energy: 0.945388928557509
Energy: 1.0042386086200774
Energy: 0.9448928448609821
Energy: 0.944625956221932
Energy: 0.9494563696825232
Energy: 0.9453404647866228
Energy: 0.946656566247934
Energy: 1.002637864857915
Energy: 0.9472894894768253
Energy: 0.9450586823022739
Energy: 0.9461382830919669
Energy: 0.9455523355636255
Energy: 0.9445641868800347
Energy: 1.0050593617805148
Energy: 0.9457703545273869
Energy: 0.9467648781489418
Energy: 0.9498728862437108
Energy: 0.9467794172399334
Energy: 0.9457913538849385
Energy: 1.6903638952973414
Energy: 0.9829470649233216
Energy: 0.9782222626516669
Energy: 0.9500052585853005
Energy: 0.982941721251605
Energy: 1.2100078884276901
Energy: 1.0988420876170062
Energy: 0.9466806983229388
Energy: 0.945176312723359
Energy: 0.9521762482001903
Energy: 0.9477856908341171
Energy: 0.9437978773203093
Energy: 1.0411168889968903
Energy: 0.9827415000180575
Energy: 0.9827252074139916
Energy: 0.9489075694955246
Energy: 0.9466177809775526
Energy: 0.9450306843979164
Energy: 1.0978490241285892
Energy: 0.9488439974225563
Energy: 0.9457223690717619
Energy: 0.9442674200366943
Energy: 0.9484661764735347
Energy: 0.944940849058974
Energy: 1.1000570601608413
Energy: 0.948098093844227
Energy: 0.9470483384493072
Energy: 0.9509965045813686
Energy: 0.9488220598314908
Energy: 0.9478707915400463
Energy: 1.0974523628826145
Energy: 0.9467813518542356
Energy: 0.9457882303396584
Energy: 0.95023760500314
Energy: 0.9466051063801495
Energy: 0.9434546407989101
Energy: 1.0918541442172374
Energy: 0.9506042582684461
Energy: 0.957107058777694
Energy: 0.9484459683458683
Energy: 0.9516047459932868
Energy: 0.9478390401058422
Energy: 1.0110739260658497
Energy: 0.9484432331360786
Energy: 0.945726276948013
Energy: 0.9360470645908011
Energy: 0.9436239940016263
Energy: 0.991142731953155
Energy: 1.0082196733745907
Energy: 0.9576583325065491
Energy: 0.9598391785515035
Energy: 0.9473871072685249
Energy: 0.9468317269470087
Energy: 0.9601914415846508
Energy: 1.0095624912921286
Energy: 0.9443249911414273
Energy: 0.9445225699699539
Energy: 0.9463770502993823
Energy: 1.2430879503254024
Energy: 0.9486270333938933
Energy: 1.007762072753095
Energy: 0.9472198604294262
Energy: 0.9462390432935723
Energy: 0.9447688061091701
Energy: 0.948124678443411
Energy: 0.9449656553376712
Energy: 1.1548230233529435
Energy: 0.9464633671002957
Energy: 0.949157168175276
Energy: 0.950368788474738
Energy: 0.9471963579444971
Energy: 0.9454342343160688

minimum gb energy = 0.9360470645908011 eV
minimum distance =  2.42124487167412 Angstroms
sigma value = 33


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

Energy: 1.2423797543270998
Energy: 1.0087515480319555
Energy: 1.0113751944286111
Energy: 1.0854488915724074
Energy: 1.016314388389047
Energy: 1.0127252379738996
Energy: 1.1386121102824205
Energy: 1.015872337819864
Energy: 1.013686208100795
Energy: 1.017671099338994
Energy: 1.0148663594453942
Energy: 1.0128228870493463
Energy: 1.0757790882271483
Energy: 1.0191004591682302
Energy: 1.0178586649454533
Energy: 1.0183381074387097
Energy: 1.0221871085062173
Energy: 1.0153484165399478
Energy: 1.0775104643038433
Energy: 1.0156145648413017
Energy: 1.0144652259326303
Energy: 1.0158253757390006
Energy: 1.0191982455651087
Energy: 1.015064332944559
Energy: 1.0752459316319867
Energy: 1.0193643616612102
Energy: 1.01870032695215
Energy: 1.0123428609548872
Energy: 1.0231258841276376
Energy: 1.019832126925017
Energy: 1.0735112487478864
Energy: 1.0228005380514285
Energy: 1.0203722237187458
Energy: 1.0099491339833138
Energy: 1.0258621181736318
Energy: 1.0220682044465141
Energy: 1.1387368817910473
Energy: 1.0274246116199108
Energy: 1.0137123751587591
Energy: 1.0177785672832835
Energy: 1.0280885270650824
Energy: 1.0175036324794855
Energy: 1.1241920490417785
Energy: 1.02541738925634
Energy: 1.0758261132102567
Energy: 1.0123346261046149
Energy: 1.027628123507522
Energy: 1.0817399453880037
Energy: 1.1386260518414477
Energy: 1.0273589938067285
Energy: 1.0266713090815422
Energy: 1.0207268238692104
Energy: 1.0218495483378713
Energy: 1.0371676894276516
Energy: 1.1440068732815838
Energy: 1.0330727359240357
Energy: 1.0329622735967237
Energy: 1.0186527757465236
Energy: 1.0248934465320458
Energy: 1.0333067501513395
Energy: 1.1401567732785922
Energy: 1.0295363729438682
Energy: 1.016436867043596
Energy: 1.0156864194947046
Energy: 1.030160869678062
Energy: 1.0130491843897684
Energy: 1.1395141159652835
Energy: 1.0187313993413525
Energy: 1.0128162749690701
Energy: 1.016720323491531
Energy: 1.012309454103828
Energy: 1.0161665002061697
Energy: 1.0736291856870501
Energy: 1.0131724264555861
Energy: 1.0137034331154446
Energy: 1.0176066105049304
Energy: 1.0100770707311801
Energy: 1.011032859446792
Energy: 1.0755875511523965
Energy: 1.0166105357974693
Energy: 1.0149320656164544
Energy: 1.015002452760861
Energy: 1.0172399166976573
Energy: 1.016229214451042
Energy: 1.0266098756934343
Energy: 1.0141008482542202
Energy: 1.0134640486700246
Energy: 1.0187016853206037
Energy: 1.017964175301368
Energy: 1.013076494709021
Energy: 1.0913659709279249
Energy: 1.019968381015536
Energy: 1.0166463319651473
Energy: 1.0159370596663808
Energy: 1.0189578534594315
Energy: 1.0146091361520762
Energy: 1.1461916562235268
Energy: 1.01652867561556
Energy: 1.0236290127430663
Energy: 1.0266829234126296
Energy: 1.012408829401344
Energy: 1.0221952715667475
Energy: 1.1438908889497685
Energy: 1.0222892148400171
Energy: 1.0381646988826638
Energy: 1.025002643601359
Energy: 1.0145190130784054
Energy: 1.0286075426057388
Energy: 1.1622692271111934
Energy: 1.0142058988778297
Energy: 1.0167895468547818
Energy: 1.0162575780257492
Energy: 1.0160936175933917
Energy: 1.0334721263854714
Energy: 1.0350935165060666
Energy: 1.022722327027972
Energy: 1.0143061782703091
Energy: 1.024637959667837
Energy: 1.016492100871847
Energy: 1.0316576880624997
Energy: 1.0331281882872643
Energy: 1.0269624766098489
Energy: 1.028104043670352
Energy: 1.0217048786406766
Energy: 1.0270543861451809
Energy: 1.0275425192946583
Energy: 1.037482993359515
Energy: 1.0222300487957199
Energy: 1.034019969502438
Energy: 1.0244914832814376
Energy: 1.0222612441092904
Energy: 1.0266795780890108
Energy: 1.0773202317663202
Energy: 1.015573647701323
Energy: 1.0143093354731127
Energy: 1.0307375627410973
Energy: 1.0165246961210757
Energy: 1.0275031602852247
Energy: 1.1391191806268155
Energy: 1.0120822153816504
Energy: 1.0112678458852664
Energy: 1.0144648629686477
Energy: 1.0132908479861884
Energy: 1.0092421049110822
Energy: 1.135994591668668
Energy: 1.0245606231159166
Energy: 1.0264369141942684
Energy: 1.0277076250183699
Energy: 1.0125720018846818
Energy: 1.0168877584676907
Energy: 1.0777239905666824
Energy: 1.0169901127009149
Energy: 1.0126999344589953
Energy: 1.0167090649602084
Energy: 1.0197342743802658
Energy: 1.0128560689879285
Energy: 1.0782266538038527
Energy: 1.0151786454385088
Energy: 1.0129744128913452
Energy: 1.0172756836251564
Energy: 1.0166836348812796
Energy: 1.0142785428984864
Energy: 1.0766838251340358
Energy: 1.0144990215347303
Energy: 1.025711801482818
Energy: 1.0139036795578396
Energy: 1.0249120110011227
Energy: 1.0250897085401074
Energy: 1.0726346747576938
Energy: 1.021364570465246
Energy: 1.0211086779166227
Energy: 1.010441172544202
Energy: 1.0258490663629214
Energy: 1.0232760548248492
Energy: 1.1382634703209413
Energy: 1.0278571625909505
Energy: 1.0271094590495395
Energy: 1.0223768548340075
Energy: 1.0280841316743234
Energy: 1.01595432911818
Energy: 1.123990536183939
Energy: 1.0265707595061178
Energy: 1.0748712742970217
Energy: 1.0100058415411868
Energy: 1.0242370756070418
Energy: 1.0206400721468518
Energy: 1.138909232094042
Energy: 1.027073576724851
Energy: 1.0271252340130226
Energy: 1.0277656383074738
Energy: 1.0205444339200833
Energy: 1.0270163021177747
Energy: 1.142065016438741
Energy: 1.0313855831869094
Energy: 1.030768286929154
Energy: 1.0162979451937835
Energy: 1.0307224230523615
Energy: 1.028439023468381
Energy: 1.1416242049276561
Energy: 1.0311284110868697
Energy: 1.0300720619195816
Energy: 1.0156340753229869
Energy: 1.0225329472754316
Energy: 1.015740937579333
Energy: 1.1391845534733898
Energy: 1.0147494792984322
Energy: 1.0376668374592435
Energy: 1.013387915285282
Energy: 1.0171742061307547
Energy: 1.0392982947631577
Energy: 1.0729173959094993
Energy: 1.0157876349007813
Energy: 1.011394646395859
Energy: 1.0123538597841488
Energy: 1.0107935809989284
Energy: 1.0107859909935029
Energy: 1.0958304780730652
Energy: 1.013412400873683
Energy: 1.0137982273714787
Energy: 1.016859883604612
Energy: 1.0147937713840505
Energy: 1.0174184153608024
Energy: 1.0969434825154616
Energy: 1.0122999950723848
Energy: 1.011557427217971
Energy: 1.0935061809072366
Energy: 1.0126747676350099
Energy: 1.0112230105204931
Energy: 1.0961984881349027
Energy: 1.0173390435118377
Energy: 1.0140812400851251
Energy: 1.014567497165422
Energy: 1.015908851445071
Energy: 1.0120066464464619
Energy: 1.1443608605427942
Energy: 1.0160034702173155
Energy: 1.014661783802563
Energy: 1.0254202808550283
Energy: 1.0150405828459876
Energy: 1.022104785630865
Energy: 1.144338867348139
Energy: 1.0208740612417133
Energy: 1.0283114451979312
Energy: 1.022682984272255
Energy: 1.012764383162367
Energy: 1.0292358509667214
Energy: 1.0773025370895177
Energy: 1.0208791639107477
Energy: 1.012774189679947
Energy: 1.0214289974235462
Energy: 1.0154005895439753
Energy: 1.0291249574617338
Energy: 1.0375977515275647
Energy: 1.0151175517414737
Energy: 1.015521665625655
Energy: 1.026752560728059
Energy: 1.016651799619191
Energy: 1.0116155438568413
Energy: 1.0370975976194552
Energy: 1.028196906879581
Energy: 1.0355920976518247
Energy: 1.0207117909592582
Energy: 1.0283089724596681
Energy: 1.0371640775304807
Energy: 1.0373150303298282
Energy: 1.0259947405697538
Energy: 1.0233812840898309
Energy: 1.0282390552570169
Energy: 1.0259889867863037
Energy: 1.023044024198214
Energy: 1.0782864994188393
Energy: 1.0153182366674371
Energy: 1.0138018420956099
Energy: 1.0299102987351116
Energy: 1.0238430707520496
Energy: 1.0142729831154094
Energy: 1.1225487211114369
Energy: 1.0165306075294276
Energy: 1.0110713074988766
Energy: 1.01154715407624
Energy: 1.0157995179990569
Energy: 1.0124022780197677

minimum gb energy = 1.0087515480319555 eV
minimum distance =  2.42779179475471 Angstroms
sigma value = 67


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

Energy: 1.6506749831993701
Energy: 1.1835395607859156
Energy: 1.1857271242548142
Energy: 1.1815725233614651
Energy: 1.0771245864459387
Energy: 1.182868627665348
Energy: 1.2116319736244572
Energy: 1.1022788298064043
Energy: 1.1012100189161198
Energy: 1.1008835348881516
Energy: 1.1018569143301025
Energy: 1.100675689858627
Energy: 1.1352759536497248
Energy: 1.0642553641032402
Energy: 1.063533726308834
Energy: 1.0656322514627161
Energy: 1.0615261240481109
Energy: 1.063737752631629
Energy: 1.1348412673140789
Energy: 1.0645407460057694
Energy: 1.0645239323751412
Energy: 1.0665064267654953
Energy: 1.0651342731098499
Energy: 1.0646619633742376
Energy: 1.1780159093469265
Energy: 1.1027109655382392
Energy: 1.1075633075693598
Energy: 1.1061761151143394
Energy: 1.1033517118191816
Energy: 1.104712994999172
Energy: 1.1793128957241936
Energy: 1.0905688717211033
Energy: 1.1066688442044892
Energy: 1.107901978290217
Energy: 1.0929392133056546
Energy: 1.1058691210640965
Energy: 1.2120297534633315
Energy: 1.1027299678286466
Energy: 1.1017049485057286
Energy: 1.066591973869591
Energy: 1.1022131304943932
Energy: 1.1011308830601034

minimum gb energy = 1.0615261240481109 eV
minimum distance =  2.43413281630039 Angstroms
sigma value = 3


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

Energy: 1.682756576200144
Energy: 1.3092071583989382
Energy: 1.128655190856559
Energy: 1.307666929528996
Energy: 1.3785814960440657
Energy: 1.2136220142098009
Energy: 1.3274506217139659
Energy: 1.2705764241135615
Energy: 1.1991497604469603
Energy: 1.19033615851567
Energy: 1.2038445591785027
Energy: 1.1965899861349252
Energy: 1.4377153767222852
Energy: 1.260438768884382
Energy: 1.2584118593162041
Energy: 1.2867635733074068
Energy: 1.257402437775939
Energy: 1.3397491271649185
Energy: 1.3445162606135992
Energy: 1.2095911955694354
Energy: 1.2010272100687553
Energy: 1.1876063892732178
Energy: 1.2635608184690674
Energy: 1.1941006292725944
Energy: 1.3661713541054052
Energy: 1.1619531223587591
Energy: 1.3111582871040586
Energy: 1.1724738183143735
Energy: 1.1656281654657237
Energy: 1.160094981651871
Energy: 1.4156151417389549
Energy: 1.157034163179118
Energy: 1.1547559269276655
Energy: 1.200782989965475
Energy: 1.1578258871302176
Energy: 1.1570969197076404
Energy: 1.3913618876786937
Energy: 1.1583629450271506
Energy: 1.1558579367888335
Energy: 1.1721813487535113
Energy: 1.155201974395362
Energy: 1.1702737577145177
Energy: 1.647346743021449
Energy: 1.377054799836252
Energy: 1.4062624505193768
Energy: 1.3622761992896346
Energy: 1.3850460012604893
Energy: 1.3757066404277858
Energy: 1.368004515126182
Energy: 1.476844552614308
Energy: 1.3504872644370751
Energy: 1.1596587664359288
Energy: 1.302987235482267
Energy: 1.3479503953160317
Energy: 1.5313505525298678
Energy: 1.3996826970983445
Energy: 1.4029027406344936
Energy: 1.3876566742304635
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Energy: 1.340994151699411
Energy: 1.4207171384916284
Energy: 1.2125592105353686
Energy: 1.2613822682940314
Energy: 1.3106903885167454
Energy: 1.2103467266964751
Energy: 1.3059569844523364
Energy: 1.4275535794829721
Energy: 1.3041796878399028
Energy: 1.3158358622054713
Energy: 1.3191934194851698
Energy: 1.3050666662849937
Energy: 1.316269938707471
Energy: 1.317945765589706
Energy: 1.3001566970306404
Energy: 1.3105259072202133
Energy: 1.2196741509398314
Energy: 1.3039423251278748
Energy: 1.3135097215063176
Energy: 1.4984146708913662
Energy: 1.3373088024508908
Energy: 1.4719309802445404
Energy: 1.3571334911479458
Energy: 1.33634227837775
Energy: 1.4702060982493437
Energy: 1.4541242754280763
Energy: 1.3991939491244207
Energy: 1.394135972363955
Energy: 1.2921910320930956
Energy: 1.39059130171488
Energy: 1.4122793899430675
Energy: 1.5188367322801857
Energy: 1.3717840296762331
Energy: 1.3662940558935637
Energy: 1.3653050100842454
Energy: 1.3592967074421438
Energy: 1.3665727968058898
Energy: 1.5251475377103105
Energy: 1.389363639993673
Energy: 1.3884759833695737
Energy: 1.3541786818409751
Energy: 1.371703754939654
Energy: 1.315049767379252
Energy: 1.5402311313393175
Energy: 1.2922235094334606
Energy: 1.4192793983375527
Energy: 1.365195361503965
Energy: 1.3460827664622608
Energy: 1.3625773507957182
Energy: 1.4491293884739573
Energy: 1.360246068431511
Energy: 1.364290901181018
Energy: 1.3206894024869524
Energy: 1.3549409343989358
Energy: 1.3257249506306874
Energy: 1.4054526938359135
Energy: 1.4002324997662607
Energy: 1.378446686905142
Energy: 1.3264277713311616
Energy: 1.4059159921298126
Energy: 1.320364894890066
Energy: 1.3845155236963211
Energy: 1.2938861381800875
Energy: 1.2944732695186023
Energy: 1.2907392501350814
Energy: 1.2972879658125223
Energy: 1.2949870871941245
Energy: 1.3811829753046614
Energy: 1.2905951220227552
Energy: 1.287271392964617
Energy: 1.2979380220684795
Energy: 1.290797098423189
Energy: 1.287201068098673
Energy: 1.3846005118967537
Energy: 1.2896784965645431
Energy: 1.2975155787967767
Energy: 1.288603174482964
Energy: 1.2919115208643548
Energy: 1.2967512508532404
Energy: 1.4610256703046285
Energy: 1.3634730253512963
Energy: 1.3624446459218629
Energy: 1.388855737344694
Energy: 1.3566347967419594
Energy: 1.4258731200300567
Energy: 1.4002810661499956
Energy: 1.3775048635883467
Energy: 1.3751461170409092
Energy: 1.3536738946748268
Energy: 1.3755583214232627
Energy: 1.367374760730925
Energy: 1.4107217874165339
Energy: 1.3704745932463083
Energy: 1.1723921384105922
Energy: 1.1821822943147435
Energy: 1.3744988211587847
Energy: 1.1914187317233493
Energy: 1.2118850557016276
Energy: 1.4043287108913864
Energy: 1.2620891037343227
Energy: 1.1838939621984383
Energy: 1.3772006610827794
Energy: 1.1914830327536132
Energy: 1.4003027964914798
Energy: 1.3683750640924606
Energy: 1.3672105057953672
Energy: 1.3531361221257046
Energy: 1.3754830071286377
Energy: 1.357190484920642
Energy: 1.4531685733834272
Energy: 1.315071054574764
Energy: 1.3000971429226003
Energy: 1.4271453809535994
Energy: 1.3128319065474796
Energy: 1.3751577677327955
Energy: 1.4762936370286444
Energy: 1.3214777920012326
Energy: 1.319790303678192
Energy: 1.4334996299600555
Energy: 1.29595846629609
Energy: 1.3291871587559576
Energy: 1.4167766264855004
Energy: 1.3522985299411994
Energy: 1.3531681532286213
Energy: 1.3534620393223415
Energy: 1.3498235689729234
Energy: 1.353701935267235
Energy: 1.3714571181846311
Energy: 1.3244800803177175
Energy: 1.3257643734362414
Energy: 1.3163850879928274
Energy: 1.3191977804179194
Energy: 1.3270624132675002
Energy: 1.4605152576035556
Energy: 1.3556478267378995
Energy: 1.3555386959687508
Energy: 1.3442889883766322
Energy: 1.3901678584270214
Energy: 1.295518493919499
Energy: 1.4167592198123873
Energy: 1.3071376682391251
Energy: 1.3049539437390492
Energy: 1.3086232095433588
Energy: 1.298957835173026
Energy: 1.3064340717241614
Energy: 1.3712941522013096
Energy: 1.3200410201277613
Energy: 1.309599470524221
Energy: 1.3171680580912
Energy: 1.262564010202937
Energy: 1.3153439813672028
Energy: 1.443911134325593
Energy: 1.4060229893176066
Energy: 1.4067424726853288
Energy: 1.2999156362592403
Energy: 1.401903188153837
Energy: 1.3423026771015036
Energy: 1.423686917721479
Energy: 1.3010502617238788
Energy: 1.3074552308289902
Energy: 1.3098973080770708
Energy: 1.3071632151851855
Energy: 1.3075293066980842
Energy: 1.3198477576085643
Energy: 1.3006643766672776
Energy: 1.3009151348252825
Energy: 1.2178035273045138
Energy: 1.3070524355164546
Energy: 1.2973656189628557
Energy: 1.390881478105956
Energy: 1.3080950558450648
Energy: 1.311544503036574
Energy: 1.297957565629867
Energy: 1.3082908636689723
Energy: 1.310437598791097
Energy: 1.3630412956993765
Energy: 1.399449316777986
Energy: 1.395122569111454
Energy: 1.2899030088708041
Energy: 1.4076832864009197
Energy: 1.4107663006549773
Energy: 1.521303810358421
Energy: 1.358695917137342
Energy: 1.3687353105398394
Energy: 1.3638183762859912
Energy: 1.3574173307642963
Energy: 1.3731417295872437
Energy: 1.490975288049534
Energy: 1.2483025222547295
Energy: 1.2358309554462743
Energy: 1.4168552682832893
Energy: 1.3393887068909518
Energy: 1.366694099288459
Energy: 1.6220737309941933
Energy: 1.3025273134725834
Energy: 1.296759042192895
Energy: 1.4185605908791303
Energy: 1.2994133728108144
Energy: 1.2870847061003545
Energy: 1.5398746946839774
Energy: 1.3514410899301506
Energy: 1.3598477902685064
Energy: 1.2193004352394978
Energy: 1.353639778374211
Energy: 1.3635662636011783
Energy: 1.6058972717551407
Energy: 1.221243658263894
Energy: 1.3818024591852966
Energy: 1.3745034653705455
Energy: 1.2179800814165271
Energy: 1.381695424309788
Energy: 1.3795856656831458
Energy: 1.1337486031504838
Energy: 1.127259166334198
Energy: 1.1280499942484565
Energy: 1.1297937762444972
Energy: 1.1527063562019972
Energy: 1.3749601749289524
Energy: 1.2847017599071693
Energy: 1.1379216213334156
Energy: 1.1287160071264397
Energy: 1.13637369171232
Energy: 1.2879286986768956
Energy: 1.3781843420698956
Energy: 1.131014488277625
Energy: 1.2835819276341094
Energy: 1.149619633986138
Energy: 1.1279100487406293
Energy: 1.1330980061149005
Energy: 1.4031777994654113
Energy: 1.3035586259430727
Energy: 1.1925352003020055
Energy: 1.2294115165212036
Energy: 1.3045184951437316
Energy: 1.203661100325077
Energy: 1.4035647958389126
Energy: 1.3083607252231042
Energy: 1.2995993144372011
Energy: 1.2553856306012146
Energy: 1.2991309799233473
Energy: 1.3375231668524814
Energy: 1.3230961652013002
Energy: 1.2563605466280174
Energy: 1.2194541554132303
Energy: 1.1749927434277665
Energy: 1.2081718568142026
Energy: 1.2017712175216249

minimum gb energy = 1.127259166334198 eV
minimum distance =  2.40687259207388 Angstroms
sigma value = 81


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

Energy: 2.6039242541599403
Energy: 1.3224754240687848
Energy: 1.3598424577677
Energy: 1.3082795091324197
Energy: 1.5329476602214862
Energy: 1.3400777716239858
Energy: 1.2603204422431769
Energy: 1.1917456343189283
Energy: 1.1853868957543912
Energy: 1.156927566846966
Energy: 1.1900039720100304
Energy: 1.2662160728169645
Energy: 1.4544918188724263
Energy: 1.2021636726435503
Energy: 1.2020106162059554
Energy: 1.2015267516931911
Energy: 1.2026763711517963
Energy: 1.3652969203694962
Energy: 1.3818400871529157
Energy: 1.2029494798917282
Energy: 1.159858877548803
Energy: 1.1611952436658384
Energy: 1.2024553648399983
Energy: 1.1585005662862602
Energy: 1.4527679995051144
Energy: 1.2083570755409763
Energy: 1.403985674946473
Energy: 1.1968185811535175
Energy: 1.2022243776189212
Energy: 1.3120454069560994
Energy: 1.5021171754767773
Energy: 1.2013259967373895
Energy: 1.2132896810946927
Energy: 1.2851887835918936
Energy: 1.2001777957490563
Energy: 1.201803434856567
Energy: 1.4517083752529438
Energy: 1.1919491572506749
Energy: 1.218580886121403
Energy: 1.1949502721157936
Energy: 1.2049645074317712
Energy: 1.1931122167099237
Energy: 1.5830452659545877
Energy: 1.4218768521423064
Energy: 1.4235752391910483
Energy: 1.3278975559284756
Energy: 1.4250186353214054
Energy: 1.3735659703778265
Energy: 1.4522193508235446
Energy: 1.419665074975586
Energy: 1.4296408751539131
Energy: 1.4176709923774797
Energy: 1.4289145150784754
Energy: 1.4261687355787198
Energy: 1.5290270991573138
Energy: 1.3253040144813368
Energy: 1.3249872918948202
Energy: 1.446081195129591
Energy: 1.321376492682304
Energy: 1.3254749146098643
Energy: 1.4341901844016978
Energy: 1.283747144764703
Energy: 1.3237016723325115
Energy: 1.4055649075231536
Energy: 1.2754148996501866
Energy: 1.420140922553801
Energy: 1.3201964939790234
Energy: 1.3214004158588104
Energy: 1.3179681062584496
Energy: 1.2045372645574721
Energy: 1.320124998785843
Energy: 1.320050206149875
Energy: 1.3207793386865987
Energy: 1.32326034456943
Energy: 1.3179933199876168
Energy: 1.2028183597195554
Energy: 1.3659936746986059
Energy: 1.2082190790026062
Energy: 1.4264297194992797
Energy: 1.348657080765803
Energy: 1.3565844476656495
Energy: 1.3906819381681539
Energy: 1.3506936106506076
Energy: 1.3569067774733587
Energy: 1.5970597230547263
Energy: 1.453518123924674
Energy: 1.4633828417368746
Energy: 1.423234502434171
Energy: 1.4607792428481339
Energy: 1.4247782584285598
Energy: 1.5935689026946924
Energy: 1.43820090770864
Energy: 1.4329558164034284
Energy: 1.434544273070316
Energy: 1.440241013830832
Energy: 1.433381559766767
Energy: 1.5981162003932126
Energy: 1.3077448454616813
Energy: 1.3138460490533457
Energy: 1.436752391098046
Energy: 1.3075945021880246
Energy: 1.3285061395855808
Energy: 1.6329523905157717
Energy: 1.4259433719399774
Energy: 1.425297987051054
Energy: 1.424743130489914
Energy: 1.4616336441876594
Energy: 1.4273551616273985
Energy: 1.390544330173804
Energy: 1.4154443460531279
Energy: 1.2101717301163402
Energy: 1.2126971955660943
Energy: 1.4078336410704164
Energy: 1.209400335842113
Energy: 1.358733272394431
Energy: 1.4068154539943014
Energy: 1.211582318787966
Energy: 1.2138352357704203
Energy: 1.4119246180101905
Energy: 1.2108777108844484
Energy: 1.4049574616927152
Energy: 1.4037715923576481
Energy: 1.317218729879381
Energy: 1.316339587142306
Energy: 1.371240600124094
Energy: 1.3160385572415703
Energy: 1.451489639178807
Energy: 1.2034346959157927
Energy: 1.204977182560707
Energy: 1.3445556269478636
Energy: 1.2028207988557615
Energy: 1.24019448855288
Energy: 1.4542878371274326
Energy: 1.3501610087849683
Energy: 1.353957062858019
Energy: 1.3578088518592357
Energy: 1.350651907957998
Energy: 1.3550930974337645
Energy: 1.5155093032477485
Energy: 1.4280903188915541
Energy: 1.4275713485088068
Energy: 1.4577283581894906
Energy: 1.4595843853906552
Energy: 1.4268665711718964
Energy: 1.440255985838227
Energy: 1.4321024925801076
Energy: 1.4358806221461484
Energy: 1.4256991813798618
Energy: 1.4302910869919334
Energy: 1.4347743520628653
Energy: 1.4519429586975119
Energy: 1.4212708024488734
Energy: 1.4177492697393497
Energy: 1.3020594361260147
Energy: 1.4651801231754609
Energy: 1.4201516735212523
Energy: 1.4535642862657885
Energy: 1.4190258505295161
Energy: 1.4173035023369758
Energy: 1.303005460399415
Energy: 1.4181653629450015
Energy: 1.4210307715164092
Energy: 1.433934994593096
Energy: 1.2769558915588648
Energy: 1.4375933165691608
Energy: 1.4085014025416978
Energy: 1.2790473954565957
Energy: 1.418383119447426
Energy: 1.4713334283425288
Energy: 1.3258636296049908
Energy: 1.3245704980471997
Energy: 1.421243933358119
Energy: 1.3267724939488432
Energy: 1.3204201526771469
Energy: 1.4595093132129133
Energy: 1.321242646200239
Energy: 1.3228430223586782
Energy: 1.3493782488055348
Energy: 1.3230708565271272
Energy: 1.3642422967879573
Energy: 1.3227134076007239
Energy: 1.3165720825522989
Energy: 1.319170101068332
Energy: 1.2013036164807174
Energy: 1.3558592776573624
Energy: 1.2021582186673196
Energy: 1.4636477219060005
Energy: 1.1265750159238368
Energy: 1.137070314109644
Energy: 1.12290570960348
Energy: 1.1522446333603573
Energy: 1.141473081550338
Energy: 1.5448964079705483
Energy: 1.206529326552097
Energy: 1.2087044871829211
Energy: 1.2098255139096636
Energy: 1.2074208748692816
Energy: 1.2021086423854892
Energy: 1.5439482384362078
Energy: 1.210913920531161
Energy: 1.3984927780624317
Energy: 1.1911115258360792
Energy: 1.2063538687930877
Energy: 1.304792532225353
Energy: 1.6217811957189472
Energy: 1.3558925233258987
Energy: 1.3559746257649414
Energy: 1.2872558539985375
Energy: 1.307562755278762
Energy: 1.2945666581768642
Energy: 1.5658647367200962
Energy: 1.2991730149971221
Energy: 1.2993388904791394
Energy: 1.289991068497209
Energy: 1.300510505744056
Energy: 1.5056534087854183
Energy: 1.6428205840092687
Energy: 1.2017483844784702
Energy: 1.2019892122757623
Energy: 1.288868796328881
Energy: 1.2035458714773455
Energy: 1.2893107660378327
Energy: 1.5133731265387003
Energy: 1.257641157384482
Energy: 1.2531793341121642
Energy: 1.2645740410871313
Energy: 1.2580316318398006
Energy: 1.323493178813948

minimum gb energy = 1.12290570960348 eV
minimum distance =  2.27195041633099 Angstroms
sigma value = 43


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

Energy: 1.7055258703742198
Energy: 1.1697461529521773
Energy: 1.1320159568248505
Energy: 1.3350251276736216
Energy: 1.1988994151147088
Energy: 1.400354812197797
Energy: 1.1861722003070614
Energy: 1.0963860726990147
Energy: 1.1411465559448246
Energy: 1.2150833826635485
Energy: 1.0971734466786596
Energy: 1.1424981772953857
Energy: 1.2678307963599253
Energy: 1.1869538655007674
Energy: 1.185656508505698
Energy: 1.225131894151676
Energy: 1.189500890504919
Energy: 1.2039146114376718
Energy: 1.2112953282003007
Energy: 1.188558608350492
Energy: 1.3322890253190107
Energy: 1.2107088672937674
Energy: 1.1883386419762527
Energy: 1.1970502678234038
Energy: 1.148592332942582
Energy: 1.0765132700840156
Energy: 1.076762075211606
Energy: 1.0782918456085913
Energy: 1.0764678378204247
Energy: 1.0767299408200564
Energy: 1.1432809911019324
Energy: 1.076983624982664
Energy: 1.0763351800478065
Energy: 1.0769298163076182
Energy: 1.0770126744224262
Energy: 1.0762348546152272
Energy: 1.1428958070877417
Energy: 1.0778645866125478
Energy: 1.0787148178067063
Energy: 1.0784850613354495
Energy: 1.0808939927989616
Energy: 1.0776411957759529
Energy: 1.2716184111140394
Energy: 1.2330693669037966
Energy: 1.2231489964222266
Energy: 1.1505148694671765
Energy: 1.2597356128813137
Energy: 1.2684156639253965
Energy: 1.1409686772485519
Energy: 1.1947717717301845
Energy: 1.2133859660483408
Energy: 1.1036930945892651
Energy: 1.191749448745125
Energy: 1.2070964232522603
Energy: 1.4131201970744842
Energy: 1.2407866511585715
Energy: 1.2385680563599397
Energy: 1.1817419736255583
Energy: 1.235375831335553
Energy: 1.2375078682488379
Energy: 1.1429494461164373
Energy: 1.2216287821686322
Energy: 1.220291487881206
Energy: 1.0986717673326742
Energy: 1.260274525444295
Energy: 1.0966524680268512
Energy: 1.3159744996860459
Energy: 1.1942460734914881
Energy: 1.2014170523785428
Energy: 1.1141207447176682
Energy: 1.1967314447476314
Energy: 1.1966163016198959
Energy: 1.3155699811829455
Energy: 1.1987922116470726
Energy: 1.2288576824335173
Energy: 1.1957928453060451
Energy: 1.232510184340112
Energy: 1.2299633490579447
Energy: 1.142752531185101
Energy: 1.0992966509977604
Energy: 1.0997585529899039
Energy: 1.0975604875026943
Energy: 1.0973882471152419
Energy: 1.099710661413455
Energy: 1.1405625650668987
Energy: 1.0958186136380506
Energy: 1.0993992760568485
Energy: 1.0976986833747628
Energy: 1.0789204532109533
Energy: 1.0974409242079664
Energy: 1.1378328193841756
Energy: 1.0786167876199835
Energy: 1.082902580163674
Energy: 1.0995572453635132
Energy: 1.0777937235749215
Energy: 1.105936446437961
Energy: 1.1696472890195686
Energy: 1.1555752523529668
Energy: 1.154976715430901
Energy: 1.1499706116525847
Energy: 1.1034860381032534
Energy: 1.1530175573309644
Energy: 1.1707655512737525
Energy: 1.1526726610894258
Energy: 1.1440545509047984
Energy: 1.1465690504982498
Energy: 1.1460383337213305
Energy: 1.1446006839372282
Energy: 1.3881914190486804
Energy: 1.1399010043185864
Energy: 1.144541573914092
Energy: 1.247992803963142
Energy: 1.1449396202166333
Energy: 1.2308752351974972
Energy: 1.3789312515800232
Energy: 1.146115720863154
Energy: 1.1496433317654515
Energy: 1.246011612667668
Energy: 1.1493540379701062
Energy: 1.2279795979324193
Energy: 1.172265940121563
Energy: 1.13891090475695
Energy: 1.144423793536506
Energy: 1.145398181205788
Energy: 1.115953996679839
Energy: 1.147144124597957
Energy: 1.2590146943414016
Energy: 1.2627669023352166
Energy: 1.329591257196017
Energy: 1.1425952196019151
Energy: 1.208056931198011
Energy: 1.369129480686398
Energy: 1.328646751272979
Energy: 1.140432797094541
Energy: 1.1429053846060404
Energy: 1.1300453435991895
Energy: 1.1377198702398006
Energy: 1.1432472612941256
Energy: 1.2230125859892405
Energy: 1.148015672685717
Energy: 1.1513229672357639
Energy: 1.1175494268757438
Energy: 1.1479538608033801
Energy: 1.1512778237265198
Energy: 1.3311089975987371
Energy: 1.1496103646538076
Energy: 1.1417031381556182
Energy: 1.1359188148664092
Energy: 1.1539237009076488
Energy: 1.1493570527895807
Energy: 1.189198573051604
Energy: 1.0979694354674572
Energy: 1.0983649483928444
Energy: 1.0958500140769067
Energy: 1.0995595376041116
Energy: 1.0987101233880237
Energy: 1.1932780175979145
Energy: 1.098007852895481
Energy: 1.097495644581368
Energy: 1.099830827411561
Energy: 1.0999757907248726
Energy: 1.0968303323998958
Energy: 1.1891361049323639
Energy: 1.097721070823997
Energy: 1.0977524324419405
Energy: 1.1003930107187454
Energy: 1.0962386103602133
Energy: 1.0969664804407335
Energy: 1.2829408300713394
Energy: 1.2224245509515057
Energy: 1.2305351501094042
Energy: 1.266463797742973
Energy: 1.1646681618517407
Energy: 1.156602207225603
Energy: 1.207526397045738
Energy: 1.0982485355294922
Energy: 1.0981422398084666
Energy: 1.215265692717206
Energy: 1.097537898503112
Energy: 1.2043466339084168
Energy: 1.4379218964555796
Energy: 1.2459509963232205
Energy: 1.1730257448598822
Energy: 1.2749420523335633
Energy: 1.1438168680142113
Energy: 1.188747047610365

minimum gb energy = 1.0762348546152272 eV
minimum distance =  2.41037684576926 Angstroms
sigma value = 57


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

Energy: 1.4979807584945892
Energy: 1.3831876274829233
Energy: 1.3852083573642868
Energy: 1.1476430392205803
Energy: 1.300292445903139
Energy: 1.3323815594467827
Energy: 1.08990578137544
Energy: 1.048533717320374
Energy: 1.0532768217008823
Energy: 1.0534550308373263
Energy: 1.0508497729682933
Energy: 1.05320023165288
Energy: 1.2012664763554044
Energy: 1.056350658059723
Energy: 1.055510434875946
Energy: 1.163677482910209
Energy: 1.0509651717534865
Energy: 1.0550983084986805
Energy: 1.2281546947099289
Energy: 1.0568383287269008
Energy: 1.055977884756725
Energy: 1.0528045419762573
Energy: 1.0490930096930275
Energy: 1.0529393042038948
Energy: 1.120054051862298
Energy: 1.048003068364435
Energy: 1.0479706577525452
Energy: 1.0521652821334815
Energy: 1.047885900532758
Energy: 1.0477071009989598
Energy: 1.090645097844222
Energy: 1.0475826246684978
Energy: 1.04772076906603
Energy: 1.04729306974409
Energy: 1.0469709736184472
Energy: 1.0474967347564796
Energy: 1.2700174617104867
Energy: 1.048362354858559
Energy: 1.0510161792820272
Energy: 1.048492322348635
Energy: 1.048783889675593
Energy: 1.0478402263922253
Energy: 1.1307194553774162
Energy: 1.1617773659077706
Energy: 1.1622711912323962
Energy: 1.0600381355550443
Energy: 1.1643993897831744
Energy: 1.211947354994155
Energy: 1.269004662350254
Energy: 1.1409291431411837
Energy: 1.1540271243107194
Energy: 1.0515599004599783
Energy: 1.1560506400865542
Energy: 1.0533513166724802
Energy: 1.502251019372791
Energy: 1.166587072560751
Energy: 1.1975525782124024
Energy: 1.2672149680808262
Energy: 1.1686256985327046
Energy: 1.1967163308002027
Energy: 1.153618980917429
Energy: 1.0739959515618767
Energy: 1.0506898605016464
Energy: 1.1565574318430325
Energy: 1.0749283758669421
Energy: 1.1526149345847536
Energy: 1.0870949298665724
Energy: 1.1532560391431927
Energy: 1.1532585874202992
Energy: 1.052759817099624
Energy: 1.1593787925022245
Energy: 1.186837778692383
Energy: 1.086110463761185
Energy: 1.1631329267849735
Energy: 1.256063226658021
Energy: 1.2565996266054744
Energy: 1.1912183675392067
Energy: 1.2574959396555971
Energy: 1.1673504319407435
Energy: 1.0549302525244217
Energy: 1.0531178183166905
Energy: 1.155661705262546
Energy: 1.0524217052466598
Energy: 1.051887993636019
Energy: 1.2121313771591729
Energy: 1.0533242586155522
Energy: 1.0549644410755479
Energy: 1.1665881322778802
Energy: 1.0482612949533152
Energy: 1.0562888319284887
Energy: 1.230486472437316
Energy: 1.0521991917231708
Energy: 1.0492366604224173
Energy: 1.0539068009953352
Energy: 1.048791459002256
Energy: 1.0497739726251851
Energy: 1.1128663889921
Energy: 1.047346851633241
Energy: 1.046950430903972
Energy: 1.047980050843053
Energy: 1.0475470234754023
Energy: 1.0472906524940375
Energy: 1.1226016970781962
Energy: 1.047746376708905
Energy: 1.047645874549152
Energy: 1.0478150672367037
Energy: 1.0474979542556795
Energy: 1.047687541973415
Energy: 1.275105846268826
Energy: 1.1924833174014862
Energy: 1.1544293125374758
Energy: 1.057939441590404
Energy: 1.1634679875404577
Energy: 1.1570957924748064
Energy: 1.2741780625660377
Energy: 1.1646474199722374
Energy: 1.1557699204222271
Energy: 1.0506827766327735
Energy: 1.162839234402956
Energy: 1.1549885086779261
Energy: 1.264861258889127
Energy: 1.1566593987584914
Energy: 1.0561610724989645
Energy: 1.0479121955321693
Energy: 1.15532787311202
Energy: 1.0504926764899536
Energy: 1.3451266610883754
Energy: 1.197077744987371
Energy: 1.2101682503600282
Energy: 1.2346665241116472
Energy: 1.1990293843557862
Energy: 1.2088100821566925
Energy: 1.1686721172983554
Energy: 1.139780679901047
Energy: 1.0555255844829656
Energy: 1.1558367399890628
Energy: 1.1563641245954548
Energy: 1.0534710382135488
Energy: 1.08559321565336
Energy: 1.1653856143540624
Energy: 1.2551241872458887
Energy: 1.2564772352182452
Energy: 1.1645190069590308
Energy: 1.2568596787147517

minimum gb energy = 1.046950430903972 eV
minimum distance =  2.41244795113778 Angstroms
sigma value = 17


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

Energy: 1.5624528455557256
Energy: 1.2539247053923943
Energy: 1.254168061596541
Energy: 1.017877666017771
Energy: 1.0625172454843983
Energy: 1.0200910754134649
Energy: 1.1909528531396094
Energy: 1.0282253662805425
Energy: 1.0289221067810423
Energy: 1.232023412719769
Energy: 1.183844801978012
Energy: 1.0320149781277792
Energy: 1.2580701153941358
Energy: 0.9938310242294263
Energy: 0.9917168516698137
Energy: 1.056694280816093
Energy: 0.9951885645793898
Energy: 0.9905858119150279
Energy: 1.2684991434773647
Energy: 0.9941550366874309
Energy: 0.9924857802991285
Energy: 1.269522900352453
Energy: 0.9938476374527586
Energy: 1.0301830067725484
Energy: 1.2597299103877886
Energy: 0.9621341092866473
Energy: 0.9625384077908176
Energy: 1.1290892802395323
Energy: 0.9625968272247245
Energy: 0.9633063392669305
Energy: 1.1015654012755254
Energy: 0.9713782925914665
Energy: 0.972066714334967
Energy: 0.9419593802269906
Energy: 0.9715719662597685
Energy: 0.9405786737966456
Energy: 1.1526581676681635
Energy: 0.9391491062761195
Energy: 0.939042721595143
Energy: 0.9418829734660582
Energy: 1.028894456445109
Energy: 0.9382894103752608
Energy: 1.067129995194105
Energy: 0.939212221232689
Energy: 0.9389649387807546
Energy: 0.9399346813513396
Energy: 0.9409494110880277
Energy: 0.9403968051438099
Energy: 1.0294397151194685
Energy: 0.9380097024817934
Energy: 0.9418262721559284
Energy: 1.0310228475865033
Energy: 0.9392690564508281
Energy: 0.9375147241896242
Energy: 1.0681872751531145
Energy: 0.9727572400746326
Energy: 0.9721428403221262
Energy: 0.9637103709554579
Energy: 0.9727547932781777
Energy: 0.9716443489854991
Energy: 1.1464715055566879
Energy: 0.9642296558677683
Energy: 0.9635442685630152
Energy: 0.9628164739326729
Energy: 0.9633361294154744
Energy: 0.9628472108477368
Energy: 1.2610371671109066
Energy: 1.0268043352322687
Energy: 1.0276281292045
Energy: 0.9755827041063163
Energy: 1.1831930129729002
Energy: 1.0298545714804987
Energy: 1.264825592992086
Energy: 1.0586716142672414
Energy: 1.0588842694977756
Energy: 0.9756243758776534
Energy: 1.0573228348393116
Energy: 1.05947793110743
Energy: 1.3049226446150812
Energy: 1.0594322994431562
Energy: 1.003689645916535
Energy: 1.224736531629953
Energy: 1.0578701302700568
Energy: 1.003625754082194
Energy: 1.2510577663839495
Energy: 1.1265599881544996
Energy: 1.1014528477317918
Energy: 1.0589425643844061
Energy: 1.1656037375630628
Energy: 1.09913825331421
Energy: 1.3525051158590835
Energy: 1.0289587134823475
Energy: 1.029656185343434
Energy: 1.0598807081236978
Energy: 1.0593644592116276
Energy: 1.027801638105827
Energy: 1.3248938000497414
Energy: 1.0585327705212
Energy: 1.1354048557019827
Energy: 1.0107676016872733
Energy: 1.058663074131094
Energy: 1.2654577583873807

minimum gb energy = 0.9375147241896242 eV
minimum distance =  2.32959913067198 Angstroms
sigma value = 17


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

Energy: 1.0865846884366606
Energy: 1.1352704381691539
Energy: 1.0106241700997995
Energy: 0.9398707211017766
Energy: 1.261082933382607
Energy: 0.9343675382690805
Energy: 1.151825737019668
Energy: 0.9797378378477626
Energy: 0.93807154387532
Energy: 0.9785484934825418
Energy: 0.979855649945487
Energy: 0.9412160466604336
Energy: 1.4740988151984677
Energy: 0.8760702573025037
Energy: 0.9237363139227591
Energy: 0.9703757696726143
Energy: 0.8761555022370177
Energy: 0.9230209756992924
Energy: 1.2555127751857291
Energy: 0.9241070519196751
Energy: 0.9236486945414661
Energy: 0.9698209916444316
Energy: 0.8676352538486533
Energy: 0.9223235290831584
Energy: 1.1350072870776535
Energy: 0.8929819193225271
Energy: 0.8933289452880723
Energy: 0.9111511962364387
Energy: 0.8928687114217886
Energy: 0.8932384705062804
Energy: 1.055745415625009
Energy: 0.8915133192612889
Energy: 0.8656531223186952
Energy: 0.8709488531597711
Energy: 0.8912953127325516
Energy: 0.8664921331610225
Energy: 1.0788862068429759
Energy: 0.894487951903904
Energy: 0.8600043505525142
Energy: 0.867806224962707
Energy: 0.894426098408248
Energy: 0.8635078822037136
Energy: 1.0626394943262862
Energy: 0.8498726359552374
Energy: 0.8565000823884964
Energy: 0.8623640452904732
Energy: 0.8520107276454446
Energy: 0.8605873959630721
Energy: 1.0855062138554763
Energy: 0.8584266776717472
Energy: 0.8579780429912773
Energy: 1.0869064173571168
Energy: 0.8671211586370825
Energy: 0.8663484351620299
Energy: 1.074447455297148
Energy: 0.8625713171025045
Energy: 0.863245696023709
Energy: 0.9824954188388173
Energy: 0.8625945696341512
Energy: 0.8633660445201717
Energy: 0.9669357060709877
Energy: 0.8525543578695397
Energy: 0.8603341216848153
Energy: 0.8525703074444183
Energy: 0.8785146887459968
Energy: 0.8611597145633202
Energy: 1.0803621867149906
Energy: 0.8656197891248982
Energy: 0.8570988193546627
Energy: 0.8686271121376229
Energy: 0.9795101177632483
Energy: 0.8578392705588302
Energy: 1.0214447598595964
Energy: 0.8561050554492634
Energy: 0.8558390213902258
Energy: 0.858373590296217
Energy: 0.8647630348808083
Energy: 0.8559461189642308
Energy: 1.1183769224044402
Energy: 0.8630865923740166
Energy: 0.8627989913217199
Energy: 1.1185664622824403
Energy: 0.8656569388936487
Energy: 0.8634160065153113
Energy: 1.1176080286391172
Energy: 0.8765058129528981
Energy: 0.8767608132178705
Energy: 0.8918709631828385
Energy: 0.8765875965845902
Energy: 0.8930634091054941
Energy: 1.1171271581712596
Energy: 0.8923284935463737
Energy: 0.8929940290373568
Energy: 0.897138575276919
Energy: 0.9807792674589328
Energy: 0.8925580884396861
Energy: 1.0853561850003024
Energy: 0.9711711824608937
Energy: 0.9800907487943832
Energy: 0.8940367314760965
Energy: 0.9700753888855916
Energy: 0.8999787254082564
Energy: 1.1355726478475556
Energy: 0.97103644843821
Energy: 0.9717931728326986
Energy: 0.8963735660064229
Energy: 0.9706954176796461
Energy: 0.8996292627152659
Energy: 1.2732571770158783
Energy: 0.9773694899915607
Energy: 0.940789187038342
Energy: 0.9958695187779943
Energy: 0.8993098583753092
Energy: 0.8927103627974268
Energy: 1.3658349031941976
Energy: 0.9333491516751649
Energy: 0.9326610832682387
Energy: 0.9841678974812524
Energy: 0.9351136426261717
Energy: 1.0216806864408343
Energy: 1.2938456783500434
Energy: 0.9788158698210127
Energy: 0.9408747806671828
Energy: 0.9817203557926717
Energy: 0.979115398746804
Energy: 0.9390350367073986
Energy: 1.0871060256662812
Energy: 1.0213924444064755
Energy: 1.0341260723728762
Energy: 0.9347119313930649
Energy: 1.0210996400630776
Energy: 0.9328625223822362
Energy: 1.2476736714860135
Energy: 0.9805938493579036
Energy: 0.9353780835458713
Energy: 0.9327472921483204
Energy: 0.9998627183813619
Energy: 0.9510292642836009
Energy: 1.2880871507056622
Energy: 0.9053218416391686
Energy: 0.9356093716600973
Energy: 0.970427036859844
Energy: 0.8827738427354432
Energy: 0.971475570008504
Energy: 1.2533771477696807
Energy: 0.8759255298331996
Energy: 0.9239661583551163
Energy: 0.9713165860228135
Energy: 0.8776798058305958
Energy: 0.9229615158792527
Energy: 1.256363093757589
Energy: 0.8991372465574882
Energy: 0.8993527098992418
Energy: 0.9823477551661817
Energy: 0.899896591398787
Energy: 0.8922589490244391
Energy: 1.0571999079385168
Energy: 0.89303701565876
Energy: 0.8928672807264657
Energy: 0.8699648531466347
Energy: 0.8966818680801709
Energy: 0.8959326047271046
Energy: 1.0732745682012999
Energy: 0.8954396698940322
Energy: 0.8945068798065609
Energy: 1.0265585303408755
Energy: 0.898786620027885
Energy: 0.8966094395905811
Energy: 1.0586683223400415
Energy: 0.8580783679725351
Energy: 0.8580146586718506
Energy: 0.8579456116205209
Energy: 0.8574960048226232
Energy: 0.8575356783004618
Energy: 1.0800269700998826
Energy: 0.8508084006048455
Energy: 0.8567114960934661
Energy: 0.9775271363789736
Energy: 0.8520173513493617
Energy: 0.8557565918022679
Energy: 1.080462961966648
Energy: 0.8539710497776379
Energy: 0.8546312391187256
Energy: 1.0806687836014686
Energy: 0.8537701040056863
Energy: 0.8545785623219159
Energy: 0.9674815271618351
Energy: 0.854850870658249
Energy: 0.8551984051873807
Energy: 0.8599676483037383
Energy: 0.8519885511872928
Energy: 0.855716527478543
Energy: 1.0117383812069545
Energy: 0.979697963628951
Energy: 0.9829636958281768
Energy: 0.9800907399904397
Energy: 1.0825598687914164
Energy: 0.8535618101596056
Energy: 1.018800817164314
Energy: 0.8629982984784837
Energy: 0.8628009659439073
Energy: 0.8604310934793091
Energy: 0.868540880139259
Energy: 0.8626788006129427
Energy: 1.1191234425312842
Energy: 0.8611757339841207
Energy: 0.8613122416797563
Energy: 1.1189047816346174
Energy: 0.8600137425245167
Energy: 0.8595662890857281
Energy: 1.1178025415714723
Energy: 0.8639202063861366
Energy: 0.8932077482023669
Energy: 0.8931466248200436
Energy: 0.8640304227762293
Energy: 0.8925748592159952
Energy: 1.0138375920850646
Energy: 0.8937617443361402
Energy: 0.8932488778937674
Energy: 0.8920034474239528
Energy: 0.8946317342162148
Energy: 0.8920302539906618
Energy: 1.081316280172487
Energy: 0.9806417132980181
Energy: 0.9376295835561042
Energy: 0.8930696838046143
Energy: 0.9801370221256348
Energy: 0.9032110231886611
Energy: 1.0710286662952806
Energy: 0.9697453108884385
Energy: 0.9345906034421796
Energy: 0.9027488807315442
Energy: 0.9804922150676835
Energy: 0.9297800812212692
Energy: 1.2689915481498966
Energy: 0.9814573805748624
Energy: 0.9804602608687446
Energy: 0.8994080964370985
Energy: 0.9805545401776504
Energy: 0.9402153358327087
Energy: 1.3932558315657049
Energy: 0.9113100498925598
Energy: 1.0433223666336608
Energy: 1.0202011346292283
Energy: 0.912341839670399
Energy: 1.0436759429098759
Energy: 1.3766014690780188
Energy: 0.9683603940466294
Energy: 0.9447590001750956
Energy: 0.969767582576168
Energy: 0.916703174077589
Energy: 0.9713870137585855
Energy: 1.247018274571953
Energy: 0.9701856407822562
Energy: 0.9710951251154982
Energy: 0.9842091968042348
Energy: 0.9701357863951486
Energy: 1.0000804497100657

minimum gb energy = 0.8498726359552374 eV
minimum distance =  2.40763289216676 Angstroms
sigma value = 57


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

Energy: 0.9924779013763653
Energy: 1.0319848325334453
Energy: 0.9345067575213117
Energy: 0.8166392117500968
Energy: 1.1275033558779606
Energy: 0.935064712345044
Energy: 1.0968016758972998
Energy: 0.8398724672205078
Energy: 0.8406255941884768
Energy: 0.901888928366157
Energy: 0.9146243352894271
Energy: 0.8754169276791441
Energy: 1.401056649404412
Energy: 0.8121398376061559
Energy: 0.8116441616833595
Energy: 0.8979781699592121
Energy: 0.8116062206924378
Energy: 0.8578697935683508
Energy: 1.1861253412229111
Energy: 0.8115773900254398
Energy: 0.8584236262099796
Energy: 0.8979034372988928
Energy: 0.8089480133239725
Energy: 0.8576720896035539
Energy: 1.0570318396013663
Energy: 0.8436239954847761
Energy: 0.8428444750759592
Energy: 0.8434114929612779
Energy: 0.8438400259555783
Energy: 0.8315745942287128
Energy: 0.9763671476861744
Energy: 0.8300686852707563
Energy: 0.8073030956679281
Energy: 0.7915283181873392
Energy: 0.8295328807687076
Energy: 0.8083826590525506
Energy: 1.007164045468976
Energy: 0.8392707616091187
Energy: 0.8159944124839081
Energy: 0.799443394004796
Energy: 0.8400257390328661
Energy: 0.7979671103683454
Energy: 1.0079268189365722
Energy: 0.7846175804214504
Energy: 0.784735197058469
Energy: 0.8037534046165667
Energy: 0.783803177002131
Energy: 0.7936849284900266
Energy: 1.010123077609853
Energy: 0.7970133899441957
Energy: 0.7948285577480624
Energy: 1.0115685192864363
Energy: 0.7911043598203277
Energy: 0.8064798361386006
Energy: 1.0242310307495965
Energy: 0.7817690384056097
Energy: 0.7819114013683598
Energy: 0.898653969170492
Energy: 0.7814641798919184
Energy: 0.7822443988813865
Energy: 0.9888525384762523
Energy: 0.77683867203792
Energy: 0.7762088196161017
Energy: 0.7770041563980226
Energy: 0.8905207308095602
Energy: 0.7765778487308282
Energy: 1.0110026427280505
Energy: 0.8785255340471255
Energy: 0.7864240660393063
Energy: 0.7833946046376674
Energy: 0.9897433498484581
Energy: 0.7864832426868139
Energy: 1.019481075115243
Energy: 0.9092950150184476
Energy: 0.7898034034276665
Energy: 0.7794790455411423
Energy: 0.907817857343415
Energy: 0.7917753965508648
Energy: 0.9837692000209852
Energy: 0.7821811312973321
Energy: 0.7820771268174153
Energy: 0.9853522642063361
Energy: 0.7786615429620898
Energy: 0.9743607767477316
Energy: 0.982290972207807
Energy: 0.7791005389805596
Energy: 0.7773413314439285
Energy: 0.7793601775659572
Energy: 0.7790893711186141
Energy: 0.7761097874558326
Energy: 1.028189901231115
Energy: 0.8091684513788487
Energy: 0.7882362520592274
Energy: 0.7875794962014044
Energy: 0.900010492342582
Energy: 0.7880057503026856
Energy: 0.9849807939291523
Energy: 0.7921055973239625
Energy: 0.7933544592281893
Energy: 0.7808391549231644
Energy: 0.9073172521354737
Energy: 0.793942888770835
Energy: 1.023922249715586
Energy: 0.7932838140046038
Energy: 0.7932953196599295
Energy: 0.83066316769954
Energy: 0.7935760413716838
Energy: 0.7939346766437817
Energy: 1.0613585312048004
Energy: 0.8001917823895138
Energy: 0.8000895804731176
Energy: 0.8405921197183227
Energy: 0.8068379569572854
Energy: 0.8424239291517875
Energy: 1.0630643535505186
Energy: 0.800621624434352
Energy: 0.8037732882108055
Energy: 0.838907335902334
Energy: 0.8028117847983898
Energy: 0.8412315590005232
Energy: 1.2003184077886857
Energy: 0.8397739326919627
Energy: 0.8380055936875045
Energy: 0.839218680370698
Energy: 0.8384907146349748
Energy: 0.8386763284073099
Energy: 0.9836835693451657
Energy: 0.8986643065507801
Energy: 0.8348389195731558
Energy: 0.8023752314443396
Energy: 0.8980050571935196
Energy: 0.8358408571997685
Energy: 1.079192003335328
Energy: 0.8982650546643125
Energy: 0.8987277595272911
Energy: 0.8545366199053755
Energy: 0.8980789700462535
Energy: 0.8993013329905768
Energy: 1.2969961767843763
Energy: 0.840776622407165
Energy: 0.8295928883513866
Energy: 0.8450386822991477
Energy: 0.8438432621437939
Energy: 0.8311592417215219
Energy: 1.3786789721450372
Energy: 0.8451398327713548
Energy: 0.8672142542433737
Energy: 0.9257374391725116
Energy: 0.84305500867187
Energy: 0.9338393548953876
Energy: 1.410478554341227
Energy: 0.9048475892692571
Energy: 0.902842982290549
Energy: 0.9046267256203205
Energy: 0.9039863306743101
Energy: 0.8763252013329176
Energy: 0.989643288995887
Energy: 0.9244307105376253
Energy: 0.8938400176144242
Energy: 0.8182516360209996
Energy: 0.9219139900562966
Energy: 0.8681913692656955

minimum gb energy = 0.7761097874558326 eV
minimum distance =  2.41662498291731 Angstroms
sigma value = 43


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

Energy: 0.833323785198161
Energy: 0.8738620432975212
Energy: 0.8239186650085942
Energy: 0.7066538179774234
Energy: 0.914736982519899
Energy: 0.7874855478329167
Energy: 1.1178811174271042
Energy: 0.6891185647018051
Energy: 0.6899342660147992
Energy: 0.7411515548042245
Energy: 0.6884560107826988
Energy: 0.6898280391927699
Energy: 1.1792398135641766
Energy: 0.6809204611211953
Energy: 0.6945569241321763
Energy: 0.7331914256869354
Energy: 0.6801743400726855
Energy: 0.6942447882919436
Energy: 1.0336902424711756
Energy: 0.6941490206192424
Energy: 0.6943645057575438
Energy: 0.6889175828700891
Energy: 0.753085861267429
Energy: 0.7161161963495986
Energy: 0.9262439136089773
Energy: 0.689247458903599
Energy: 0.6898374521788632
Energy: 0.6938817859574229
Energy: 0.6898286740008805
Energy: 0.6901008789852542
Energy: 0.8112884014212093
Energy: 0.6899035392085097
Energy: 0.6802033177796102
Energy: 0.7478177971668822
Energy: 0.6895406329128233
Energy: 0.6699347746307712
Energy: 1.0300168068345148
Energy: 0.6910553047080494
Energy: 0.695814251764368
Energy: 0.6687230187032338
Energy: 0.692130718867637
Energy: 0.6646885027990364
Energy: 1.0281726921328407
Energy: 0.6552710934837253
Energy: 0.6586864964846787
Energy: 0.7180671514712184
Energy: 0.6544403790988587
Energy: 0.7136395366130472
Energy: 0.8722032912407718
Energy: 0.6599919058104853
Energy: 0.6640674287815519
Energy: 0.8729921822845889
Energy: 0.6690625883262875
Energy: 0.7430956378554867
Energy: 0.8700710521401397
Energy: 0.6539887875565669
Energy: 0.6534052787688941
Energy: 0.6648507611366881
Energy: 0.6540322725925767
Energy: 0.6527278629698939
Energy: 0.8049760216263381
Energy: 0.6481530668110914
Energy: 0.6472459069265626
Energy: 0.6475046165068395
Energy: 0.6474877863501074
Energy: 0.6452971948917282
Energy: 0.8720806406398515
Energy: 0.8000485644382868
Energy: 0.6492330477682882
Energy: 0.6491289408262432
Energy: 0.7210930432254814
Energy: 0.6483025167571129
Energy: 0.8731250986554183
Energy: 0.7275674314780917
Energy: 0.7284826354589602
Energy: 0.6519067077281604
Energy: 0.7222616879205206
Energy: 0.7304379911951554
Energy: 0.816948383093482
Energy: 0.740859060675096
Energy: 0.7750894227484567
Energy: 0.8183757212538679
Energy: 0.7181230770027408
Energy: 0.7802999607738267
Energy: 0.8164460159068198
Energy: 0.6442593698536692
Energy: 0.6440020939011973
Energy: 0.7757197185802776
Energy: 0.6445989629038797
Energy: 0.6406049731815028
Energy: 0.8108833685569967
Energy: 0.7589742974139313
Energy: 0.6385294382070332
Energy: 0.6394779334320715
Energy: 0.7671828151717804
Energy: 0.6376909800174762
Energy: 0.8210015746682978
Energy: 0.7773966100297018
Energy: 0.686575111459321
Energy: 0.6419457670340243
Energy: 0.7694595014810828
Energy: 0.6418425493687241
Energy: 0.80841571365244
Energy: 0.7149026471226496
Energy: 0.6477601416700651
Energy: 0.7252653123092165
Energy: 0.7144716546088171
Energy: 0.6472502175938166
Energy: 0.8063584515152531
Energy: 0.7095919273524403
Energy: 0.76551596079796
Energy: 0.8077345459070506
Energy: 0.709823206060965
Energy: 0.7703287485073647
Energy: 0.8080671284030515
Energy: 0.7176329628051191
Energy: 0.6530212153568035
Energy: 0.6384560107499928
Energy: 0.7176631910972713
Energy: 0.6529842232170582
Energy: 0.8410802870175373
Energy: 0.6876066018318979
Energy: 0.6507094060990128
Energy: 0.6482804136842601
Energy: 0.7770845817094296
Energy: 0.6489870769727285
Energy: 0.809424483272499
Energy: 0.6868509713922033
Energy: 0.6398849486137002
Energy: 0.6411599074546963
Energy: 0.7751400614477635
Energy: 0.6395972344332032
Energy: 0.8368370936580144
Energy: 0.6464994233468756
Energy: 0.6466419873738314
Energy: 0.7953310467775121
Energy: 0.6413615044010281
Energy: 0.646103421933583
Energy: 0.8376315394046125
Energy: 0.6476356687366795
Energy: 0.7952496966604455
Energy: 0.8383335189602121
Energy: 0.6553350648329014
Energy: 0.796862303500499
Energy: 0.9217648296463611
Energy: 0.7325582984370368
Energy: 0.7471036933469283
Energy: 0.6524731914371472
Energy: 0.6928782060113914
Energy: 0.747299283719151
Energy: 0.9230996919046359
Energy: 0.742548233860059
Energy: 0.6634661861205411
Energy: 0.6482880122006199
Energy: 0.664478512866439
Energy: 0.6472303573672663
Energy: 0.8085799389667728
Energy: 0.66311605737122
Energy: 0.6629211458545547
Energy: 0.656385921083432
Energy: 0.6649447477438555
Energy: 0.6570060629403
Energy: 0.9007368751353547
Energy: 0.6629693495179807
Energy: 0.6631241329702448
Energy: 0.6909615865723314
Energy: 0.6626771951193766
Energy: 0.6636085095874226
Energy: 0.9218699663527821
Energy: 0.6770536576904151
Energy: 0.6890440764367523
Energy: 0.6888351260326918
Energy: 0.6781590847356755
Energy: 0.6890886938883665
Energy: 1.116951331784116
Energy: 0.6690731318876566
Energy: 0.6768852944295921
Energy: 0.6889154510965195
Energy: 0.6674650174467712
Energy: 0.7275847929124908
Energy: 1.113732765688187
Energy: 0.6926000924378667
Energy: 0.6914498273523132
Energy: 0.6910685594360284
Energy: 0.6925675352937691
Energy: 0.6886444015688428
Energy: 0.8209152442583518
Energy: 0.7336755497590397
Energy: 0.7074134863107997
Energy: 0.7266380793918481
Energy: 0.7336506237789606
Energy: 0.6918613733640243
Energy: 0.9465538746635754
Energy: 0.732913329712014
Energy: 0.7331675836133152
Energy: 0.7105616426178286
Energy: 0.7329528251915971
Energy: 0.7331257347910373
Energy: 1.1177431407550527
Energy: 0.7238981237228661
Energy: 0.7236622487623491
Energy: 0.71934249557683
Energy: 0.8532925863081408
Energy: 0.7566735270645083
Energy: 1.177207705102972
Energy: 0.7024240882237575
Energy: 0.7246589043063857
Energy: 0.7695481058863324
Energy: 0.7759835862532719
Energy: 0.7246021185557587
Energy: 1.1722650470273717
Energy: 0.7331391431307639
Energy: 0.7330647590318733
Energy: 0.7409298908561064
Energy: 0.7329435529781835
Energy: 0.6896426057453218

minimum gb energy = 0.6376909800174762 eV
minimum distance =  2.43197722952515 Angstroms
sigma value = 81


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

Energy: 0.024121746883494954
Energy: 0.07565392382366058
Energy: 0.02476504049084243
Energy: 0.027199909929903655
Energy: 0.07580337133818583
Energy: 0.024897033775454682
Energy: 0.07677881502326606
Energy: 0.031080820262219536
Energy: 0.02975511493476886
Energy: 0.0774915197940314
Energy: 0.032514153202537324
Energy: 0.030680206662270684
Energy: 0.07620333441619079
Energy: 0.02495237056760809
Energy: 0.02465935667351345
Energy: 0.07607165691570973
Energy: 0.02493567110085304
Energy: 0.07548025129181397
Energy: 0.033174207103952184
Energy: 0.025070331765926806
Energy: 0.024976786775687827
Energy: 0.0327601760604742
Energy: 0.02485721392432498
Energy: 0.07605411517441722
Energy: 0.07537106822963373
Energy: 0.07564262770950166
Energy: 0.07583166978477883
Energy: 0.07661120499820825
Energy: 0.07519457052706667
Energy: 0.07840154455066234
Energy: 0.02535001121218813
Energy: 0.028764719257906825
Energy: 0.025067421206855945
Energy: 0.027496076658866084
Energy: 0.03060815264122222
Energy: 0.02494547589547888
Energy: 0.07555546168509684
Energy: 0.02886477224239007
Energy: 0.03076789420295165
Energy: 0.07564540570034357
Energy: 0.03232033635018988
Energy: 0.02955889315260427
Energy: 0.07540811313498523
Energy: 0.024667038250599377
Energy: 0.024791063077716117
Energy: 0.075516178924054
Energy: 0.024671754759248668
Energy: 0.07818231874436565
Energy: 0.03296173141898145
Energy: 0.025141040498555638
Energy: 0.07747800582931122
Energy: 0.03238324606251876
Energy: 0.024849621022355068
Energy: 0.07796180571374504
Energy: 0.025726157081455647
Energy: 0.07602624544375738
Energy: 0.07593402456160138
Energy: 0.024915441742550577
Energy: 0.07583766300852678
Energy: 0.0759030688915622

minimum gb energy = 0.024121746883494954 eV
minimum distance =  2.5536130240426 Angstroms
sigma value = 3


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

Energy: 0.818361011117566
Energy: 0.8574264472623938
Energy: 0.809760951270864
Energy: 0.7575492577422671
Energy: 0.8140625104063117
Energy: 0.7676942672498082
Energy: 0.8642845635363112
Energy: 0.828401765543228
Energy: 0.8266646771159183
Energy: 0.8325211105737171
Energy: 0.833514130920727
Energy: 0.8247358580896911
Energy: 0.8738148709394098
Energy: 0.7783289136761451
Energy: 0.7791508919119325
Energy: 0.8361201733235576
Energy: 0.7793544017504136
Energy: 0.8090404843417861
Energy: 0.8472692736860604
Energy: 0.7793153652611177
Energy: 0.7796894717921199
Energy: 0.8308521934766523
Energy: 0.7845750401319875
Energy: 0.8099295411817494
Energy: 0.8010912901013605
Energy: 0.8297108597984781
Energy: 0.8268165991081714
Energy: 0.8006660611639913
Energy: 0.837284112514686
Energy: 0.8252374181414659
Energy: 0.7844715770225063
Energy: 0.8292430168752188
Energy: 0.8023634239041931
Energy: 0.7303932843044169
Energy: 0.8290437592603231
Energy: 0.7646992015038089
Energy: 0.8476996143523713
Energy: 0.8382662493596489
Energy: 0.8350497806844311
Energy: 0.8319351004493356
Energy: 0.836711446962606
Energy: 0.8262435715655175
Energy: 0.8466433673499539
Energy: 0.7843178361505572
Energy: 0.7845866163017432
Energy: 0.8319672426923505
Energy: 0.7500504091077502
Energy: 0.7858451829173514
Energy: 0.8362925902500529
Energy: 0.7864672456845022
Energy: 0.8149157007046656
Energy: 0.8342395787200158
Energy: 0.8081376789696751
Energy: 0.8272359116307468
Energy: 0.8256848733838685
Energy: 0.8008784162566647
Energy: 0.7962036157536175
Energy: 0.8251760685489619
Energy: 0.8095529782164269
Energy: 0.8046449373375284
Energy: 0.7942439643543769
Energy: 0.799388653630486
Energy: 0.8005251786951504
Energy: 0.7225379395673309
Energy: 0.8090861594789376
Energy: 0.7665905344158658
Energy: 0.7613226072848236
Energy: 0.8119952528403286
Energy: 0.8028743681563855
Energy: 0.7612667126125795
Energy: 0.8098744837678661
Energy: 0.7590808923504226
Energy: 0.7597458586329832
Energy: 0.7533005348320969
Energy: 0.7791459434846966
Energy: 0.7597392950780403
Energy: 0.708317640780427
Energy: 0.7801799741642069
Energy: 0.7939359895445746
Energy: 0.7807266083820573
Energy: 0.7803263317528126
Energy: 0.7682039886359316
Energy: 0.8123536712103802
Energy: 0.78645463886769
Energy: 0.7940155653488066
Energy: 0.7286456970053492
Energy: 0.7282129640355295
Energy: 0.7936375734796529
Energy: 0.7389126437198386
Energy: 0.728868803727228
Energy: 0.7922077342171362
Energy: 0.7631019440796596
Energy: 0.770826577055411
Energy: 0.7648594477011905
Energy: 0.789631195893075
Energy: 0.7639951756602702
Energy: 0.7141319970647151
Energy: 0.7719699300961125
Energy: 0.7695591583401735
Energy: 0.7139422956725374
Energy: 0.7638577725247063
Energy: 0.7137468044299966
Energy: 0.713967531617498
Energy: 0.7597531667487522
Energy: 0.7600576961217163
Energy: 0.7140106103815671
Energy: 0.7160949763732639
Energy: 0.7604472490251409
Energy: 0.7830298123793965
Energy: 0.7851770005212039
Energy: 0.759110520436047
Energy: 0.7197894819006317
Energy: 0.7894088999246223
Energy: 0.7596217323025037
Energy: 0.7921063645882798
Energy: 0.7134590657345763
Energy: 0.7130938789877106
Energy: 0.791030803169096
Energy: 0.714610065143854
Energy: 0.7137250396506973
Energy: 0.7911533302401927
Energy: 0.7626660783874514
Energy: 0.7714337371343734
Energy: 0.7878544651152208
Energy: 0.7937592032890841
Energy: 0.7689502350008032
Energy: 0.7305531684840962
Energy: 0.7626220211100456
Energy: 0.7703188314437059
Energy: 0.729882298701693
Energy: 0.7647655304429433
Energy: 0.7294990872599731
Energy: 0.7300353464804045
Energy: 0.7821135685801225
Energy: 0.7820409734694317
Energy: 0.7302861256421672
Energy: 0.7817451324600091
Energy: 0.7814559685159591
Energy: 0.793450286072975
Energy: 0.7596239347839852
Energy: 0.7810905043653932
Energy: 0.7180265268161443
Energy: 0.7586914101309437
Energy: 0.7649931120936624
Energy: 0.8187734017716992
Energy: 0.7587342031665618
Energy: 0.758112077766378
Energy: 0.8193926152264241
Energy: 0.7606950741879479
Energy: 0.769164510887705
Energy: 0.8165689163083958
Energy: 0.781477435793275
Energy: 0.7818240965256953
Energy: 0.8174617356660041
Energy: 0.7503486999186785
Energy: 0.8012329092365871
Energy: 0.8077238886405413
Energy: 0.7815482722384451
Energy: 0.782733839767988
Energy: 0.8015443492605178
Energy: 0.8135426140172934
Energy: 0.8059552726527612
Energy: 0.7713163324279769
Energy: 0.8274407715243383
Energy: 0.8274379751824396
Energy: 0.771573076548245
Energy: 0.8266623373695752
Energy: 0.8272365881546362
Energy: 0.7922027865339601
Energy: 0.8267482158083739
Energy: 0.8070251156445215
Energy: 0.7239012412033379
Energy: 0.8316791417194982
Energy: 0.7673589849380084
Energy: 0.8224290988634426
Energy: 0.827509750031777
Energy: 0.8251341203094544
Energy: 0.8219435148930544
Energy: 0.8309776313079479
Energy: 0.8263052669989529
Energy: 0.8300182467242517
Energy: 0.7851716313115775
Energy: 0.7843563689505944
Energy: 0.8303382684704976
Energy: 0.7438585167698699
Energy: 0.7848587696772226
Energy: 0.8746276469151026
Energy: 0.7870618024868551
Energy: 0.8236931530082268
Energy: 0.8298990662903711
Energy: 0.802010965476444
Energy: 0.8261993615992033
Energy: 0.7882742077438507
Energy: 0.8306767905178476
Energy: 0.8297917842695494
Energy: 0.7879676090773237
Energy: 0.8306035893308713
Energy: 0.8184962228316104

minimum gb energy = 0.708317640780427 eV
minimum distance =  2.35520755967193 Angstroms
sigma value = 67


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

Energy: 1.0379410420268929
Energy: 1.035345828505121
Energy: 1.0242733126053107
Energy: 0.9620006555127512
Energy: 1.0238025631427785
Energy: 1.0087444273953714
Energy: 1.0596912042588813
Energy: 1.024837601012574
Energy: 1.0061997725485385
Energy: 1.0206274845733077
Energy: 1.0196657695060698
Energy: 1.0038203140439423
Energy: 1.0940195522902876
Energy: 0.9827004048221982
Energy: 0.9933459635812072
Energy: 1.0128100080102733
Energy: 0.9829880945788474
Energy: 0.9938577790504531
Energy: 1.0386462520449327
Energy: 0.9943673078837821
Energy: 0.9938600516595469
Energy: 1.0186100689035553
Energy: 0.9971708002408374
Energy: 0.995221337102455
Energy: 1.0398132826041961
Energy: 1.0220824241284605
Energy: 1.0246179506856947
Energy: 1.0161592814690625
Energy: 1.01858437888347
Energy: 1.0069841102935522
Energy: 0.979822507994131
Energy: 1.003218619525409
Energy: 0.9926739138863426
Energy: 0.9775477870181841
Energy: 1.0018192885519335
Energy: 0.992055031411381
Energy: 1.0386048137377983
Energy: 1.023025663622511
Energy: 1.0264361163191436
Energy: 1.017264038192778
Energy: 1.0212990766798242
Energy: 1.0052383769565594
Energy: 1.0363601138627148
Energy: 0.9804004633750042
Energy: 0.9784188952293255
Energy: 1.0153743923385712
Energy: 0.9575210865535644
Energy: 1.003522621494961
Energy: 1.0112912525430773
Energy: 1.003097685022642
Energy: 1.0040138983838642
Energy: 1.0084771015387077
Energy: 1.018058096612899
Energy: 1.013981841430763
Energy: 1.008948357674498
Energy: 0.9838266770473729
Energy: 0.992472267201969
Energy: 1.0090311889089627
Energy: 0.9953701844010897
Energy: 0.9981454496596154
Energy: 0.9985435316698368
Energy: 0.9936625259160197
Energy: 0.9932349403358127
Energy: 0.9618180833476596
Energy: 0.9941336702359785
Energy: 0.9877997204566894
Energy: 0.9587245628299066
Energy: 0.9921449480084338
Energy: 0.9914621688967661
Energy: 0.9586725083615315
Energy: 0.98397291221659
Energy: 0.9606859340823142
Energy: 0.9574145120375736
Energy: 0.9705553121174681
Energy: 0.9841104108143838
Energy: 0.9576084493277567
Energy: 0.9633960111626866
Energy: 0.9696284277254676
Energy: 0.9899159399828218
Energy: 0.9799519346982398
Energy: 0.9834853401339521
Energy: 0.961962815302739
Energy: 0.9939460872180934
Energy: 0.9829335158452794
Energy: 0.9930120514901188
Energy: 0.9672502520528276
Energy: 0.9628562217632947
Energy: 0.9938752783399875
Energy: 0.9645479768105952
Energy: 0.9572855763008873
Energy: 0.9938077179198483
Energy: 0.9955907912645275
Energy: 0.9923053221089272
Energy: 0.9927181854505767
Energy: 1.0090938400621339
Energy: 0.9904822740561742
Energy: 0.9895241027439574
Energy: 0.9789536361073715
Energy: 0.9808525827711617
Energy: 0.98999786067995
Energy: 0.9523744556075892
Energy: 0.9916697844848676
Energy: 0.9884393158260768
Energy: 1.0140625742107423
Energy: 1.0157001905149365
Energy: 0.9886842553181504
Energy: 1.013333984553544
Energy: 1.0040710556907604
Energy: 0.9793024800449593
Energy: 1.004582486732908
Energy: 0.990326468753163
Energy: 0.9676232487896407
Energy: 1.001431711014621
Energy: 0.990147215900662
Energy: 1.0148347567377987
Energy: 1.009446430431642
Energy: 1.0159873442243879
Energy: 1.0157588469127474
Energy: 1.0194081093999963
Energy: 1.0180834823669203
Energy: 1.01429847056076
Energy: 1.0058035815474262
Energy: 1.0051009392663106
Energy: 1.0143019940228002
Energy: 0.9831890921422989
Energy: 1.0206435015556385
Energy: 1.104561987692491
Energy: 0.980893754822436
Energy: 1.0042529203616883
Energy: 1.0117845238172023
Energy: 0.9804204551691572
Energy: 1.0050197392791993
Energy: 1.059478090611425
Energy: 1.0257552729669872
Energy: 1.0136595745706036
Energy: 1.0111437259753608
Energy: 1.0196834115796243
Energy: 1.0164541900191586

minimum gb energy = 0.9523744556075892 eV
minimum distance =  2.36432782580469 Angstroms
sigma value = 33


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

Energy: 1.22693466429131
Energy: 1.2144666871515672
Energy: 1.2014538391236849
Energy: 1.1405878183454532
Energy: 1.2153438090927362
Energy: 1.159175775530778
Energy: 1.2454697424462258
Energy: 1.170214870411413
Energy: 1.1663298094716017
Energy: 1.1729140553816035
Energy: 1.1855641340974643
Energy: 1.1751071423049977
Energy: 1.2973273604458262
Energy: 1.151091068127869
Energy: 1.157390562041207
Energy: 1.1756773525043638
Energy: 1.1514603763359952
Energy: 1.1561432765697763
Energy: 1.2250317847035126
Energy: 1.1601790241471688
Energy: 1.15685613140141
Energy: 1.1775959229657422
Energy: 1.1560355394817665
Energy: 1.1557694891912087
Energy: 1.23116309230904
Energy: 1.1871459504645212
Energy: 1.1653256391206261
Energy: 1.166682218496732
Energy: 1.182075245963569
Energy: 1.165679908671262
Energy: 1.148753581137528
Energy: 1.1717418561197248
Energy: 1.1751242567099967
Energy: 1.1387668030228413
Energy: 1.1695088774307694
Energy: 1.1510235925705241
Energy: 1.2193074912003923
Energy: 1.169637796413955
Energy: 1.171777236081521
Energy: 1.1735811830365548
Energy: 1.1709039188245687
Energy: 1.164760643054791
Energy: 1.2164445272490134
Energy: 1.1525830027959654
Energy: 1.1525910170319447
Energy: 1.1748975317352905
Energy: 1.155611759771421
Energy: 1.1646829717836833
Energy: 1.16056244362314
Energy: 1.164953295115361
Energy: 1.1665171016865705
Energy: 1.1646895031426745
Energy: 1.1726136873310795
Energy: 1.1688220886261922
Energy: 1.1621790393886275
Energy: 1.1541948859444884
Energy: 1.154172964736976
Energy: 1.1628921592357022
Energy: 1.16458829016173
Energy: 1.1574692529000088
Energy: 1.15829931513444
Energy: 1.1538374267232312
Energy: 1.1533899168733202
Energy: 1.15640658341822
Energy: 1.1630123314260294
Energy: 1.153080969979746
Energy: 1.1625862225371313
Energy: 1.155162718249113
Energy: 1.1540619241148173
Energy: 1.163375824713653
Energy: 1.1426337236145105
Energy: 1.1522815120830083
Energy: 1.1614098842678275
Energy: 1.1660927379416999
Energy: 1.1661945420428355
Energy: 1.1619174891881958
Energy: 1.1653963338777562
Energy: 1.1551491625956707
Energy: 1.1524495442143887
Energy: 1.1651547103661204
Energy: 1.1657107359342034
Energy: 1.1450238776592834
Energy: 1.1609911112619544
Energy: 1.143789257400968
Energy: 1.1656015458316595
Energy: 1.1678652796031526
Energy: 1.1686568268667872
Energy: 1.1667993605332552
Energy: 1.1786333490800145
Energy: 1.1687782216753626
Energy: 1.1885127837766685
Energy: 1.155971666075237
Energy: 1.1543456917656996
Energy: 1.1848077114163245
Energy: 1.1633257410867224
Energy: 1.1856936303725139
Energy: 1.2975328979278982
Energy: 1.143971407799113
Energy: 1.147037042901686
Energy: 1.1731553991051922
Energy: 1.1510653679453071
Energy: 1.1632407260106175
Energy: 1.3068747219422276
Energy: 1.1958774670160475
Energy: 1.1866561698740195
Energy: 1.1714548065998729
Energy: 1.1909744161790696
Energy: 1.2043502764590415
Energy: 1.1315656462778854
Energy: 1.1728214073571805
Energy: 1.1608661122760333
Energy: 1.1315560151462867
Energy: 1.1738578403546827
Energy: 1.1495925927703718
Energy: 1.2442373819178993
Energy: 1.1710210039952968
Energy: 1.1656198019022304
Energy: 1.1500654159337733
Energy: 1.1830286138181794
Energy: 1.165245601441124
Energy: 1.2996163192405312
Energy: 1.163710350275483
Energy: 1.1568881700790388
Energy: 1.176510089026948
Energy: 1.1559848733995437
Energy: 1.1554726647639628
Energy: 1.2151934794540256
Energy: 1.1518207442291466
Energy: 1.1576355172220125
Energy: 1.1761894997434938
Energy: 1.1518395044986096
Energy: 1.156039232143767
Energy: 1.2310838161575302
Energy: 1.1686787780872223
Energy: 1.1655703309215422
Energy: 1.1828856860754486
Energy: 1.182455737354785
Energy: 1.1736694725764536
Energy: 1.1435691553029415
Energy: 1.1710872500235892
Energy: 1.1730600869986605
Energy: 1.1386167476381852
Energy: 1.171056347194748
Energy: 1.148129972259489
Energy: 1.219697501588996
Energy: 1.1705589492218742
Energy: 1.1686464800198983
Energy: 1.1733654555163657
Energy: 1.1707148756421548
Energy: 1.185667120951713
Energy: 1.2157657186161874
Energy: 1.1525194043121676
Energy: 1.1642989352549624
Energy: 1.175802116427168
Energy: 1.1554591421967464
Energy: 1.1669737110688778
Energy: 1.1587988239388203
Energy: 1.1761349206672056
Energy: 1.1660755602980393
Energy: 1.1612998799395906
Energy: 1.161711688872132
Energy: 1.167798329102674
Energy: 1.1623209839876978
Energy: 1.1549166372918727
Energy: 1.1549787275826757
Energy: 1.1622297149554939
Energy: 1.1658920153770782
Energy: 1.1556465643230214
Energy: 1.1575322797115262
Energy: 1.1694920449232422
Energy: 1.1529638235052186
Energy: 1.1539236120206064
Energy: 1.1644552269048547
Energy: 1.1524845924343057
Energy: 1.1628712894796192
Energy: 1.1542701145337237
Energy: 1.155094454376509
Energy: 1.1628639570485082
Energy: 1.143365386177513
Energy: 1.1523634971115273
Energy: 1.1622143874793711
Energy: 1.1677572841032353
Energy: 1.1553701712867799
Energy: 1.1626760650780636
Energy: 1.1649701076598071
Energy: 1.1533490195476044
Energy: 1.1535082305009066
Energy: 1.1649166302791922
Energy: 1.166065743939429
Energy: 1.146336692867777
Energy: 1.162660720302527
Energy: 1.152180223477064
Energy: 1.166366414234594
Energy: 1.1662719752975632
Energy: 1.1677684180279138
Energy: 1.1602757966740525
Energy: 1.1778502926520713
Energy: 1.168409618710637
Energy: 1.1863168816978247
Energy: 1.1565156769709863
Energy: 1.1851899329710194
Energy: 1.1874800937041983
Energy: 1.1655667531009855
Energy: 1.185487625558487
Energy: 1.2966731052777019
Energy: 1.144154469561464
Energy: 1.1459866366994713
Energy: 1.1727572958491943
Energy: 1.1350114103324895
Energy: 1.1619381484560394
Energy: 1.3057806285165237
Energy: 1.192802427945231
Energy: 1.2036874600963194
Energy: 1.1713856317192053
Energy: 1.1918050913417648
Energy: 1.186144795201724
Energy: 1.1323807159705623
Energy: 1.1735641393983445
Energy: 1.162296339241795
Energy: 1.1306860868362894
Energy: 1.1752965982602832
Energy: 1.1485269930273856

minimum gb energy = 1.1306860868362894 eV
minimum distance =  2.38726974378202 Angstroms
sigma value = 41


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

Energy: 1.4626133891710646
Energy: 1.492246957508983
Energy: 1.4991930983218944
Energy: 1.4204515324295277
Energy: 1.4461727769872992
Energy: 1.4202079159803518
Energy: 1.4839936096125983
Energy: 1.4308061109183483
Energy: 1.4343370961610402
Energy: 1.4529033911998201
Energy: 1.429580723492869
Energy: 1.411047372839853
Energy: 1.5770316347694469
Energy: 1.3955161019864957
Energy: 1.393591674535375
Energy: 1.4488131363599102
Energy: 1.3980800026755509
Energy: 1.3951767414584235
Energy: 1.4474223172545648
Energy: 1.3949087120322432
Energy: 1.3938916600828417
Energy: 1.4464318853548581
Energy: 1.396592997036333
Energy: 1.4478785122938418
Energy: 1.4508021425843782
Energy: 1.4280204860800727
Energy: 1.4356134474688806
Energy: 1.4524352556798752
Energy: 1.4280847346366865
Energy: 1.409159169346249
Energy: 1.4034943707011631
Energy: 1.426378982149672
Energy: 1.4079788633127552
Energy: 1.394684225867796
Energy: 1.4269379349194156
Energy: 1.4078035478099749
Energy: 1.4912367590382383
Energy: 1.4406703449448752
Energy: 1.4266429077013825
Energy: 1.4122379143021644
Energy: 1.440009597955212
Energy: 1.406208433699792
Energy: 1.4905952455507703
Energy: 1.4099530050129012
Energy: 1.4095105524239258
Energy: 1.409955077635947
Energy: 1.406527447680664
Energy: 1.4088503822160812
Energy: 1.3951517620969487
Energy: 1.4092443757624245
Energy: 1.4061691604184667
Energy: 1.4002389806708475
Energy: 1.4114388676655951
Energy: 1.4045458542466003
Energy: 1.421024953877311
Energy: 1.4092688825252637
Energy: 1.4064941448902448
Energy: 1.4113754769478977
Energy: 1.4139325185138474
Energy: 1.4054743773101745
Energy: 1.4233792417418996
Energy: 1.4297357631617125
Energy: 1.4464398469985826
Energy: 1.4266706451075737
Energy: 1.4315792924739053
Energy: 1.408258738005495
Energy: 1.604998297902124
Energy: 1.3997241197938903
Energy: 1.4019510914361055
Energy: 1.4286920734811162
Energy: 1.4022056250669797
Energy: 1.401358374975364
Energy: 1.609991944955194
Energy: 1.4525964883034117
Energy: 1.4481442339477995
Energy: 1.4323086150218507
Energy: 1.4384963956210255
Energy: 1.4075124247381887
Energy: 1.4020809549686328
Energy: 1.428658463519165
Energy: 1.4004888365052235
Energy: 1.3900155125589662
Energy: 1.42880641243586
Energy: 1.399733841919922

minimum gb energy = 1.3900155125589662 eV
minimum distance =  2.37950889326795 Angstroms
sigma value = 11


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

Energy: 1.7106665513961177
Energy: 1.743293150238052
Energy: 1.7318295433576576
Energy: 1.6979809747903507
Energy: 1.7029154548422925
Energy: 1.723046280671378
Energy: 1.8355920319523975
Energy: 1.6194155828022132
Energy: 1.6119369032750606
Energy: 1.618467080482907
Energy: 1.6413315597544869
Energy: 1.6149894738397856
Energy: 1.913455255536351
Energy: 1.597227670949783
Energy: 1.5964804875708347
Energy: 1.6216690369682885
Energy: 1.5982364305228942
Energy: 1.620614714841719
Energy: 1.6512474563763666
Energy: 1.5969961463304592
Energy: 1.6199125558014231
Energy: 1.6223216465454995
Energy: 1.5974733441907067
Energy: 1.6179324600141722
Energy: 1.6508747011747542
Energy: 1.612438815657633
Energy: 1.609227589581152
Energy: 1.6207537841319088
Energy: 1.607735532593269
Energy: 1.6082418400164167
Energy: 1.650145110041887
Energy: 1.5910820152884033
Energy: 1.5909021614486445
Energy: 1.609482897170965
Energy: 1.5926914377651558
Energy: 1.591060424021789
Energy: 1.6621076957393028
Energy: 1.5916612579155833
Energy: 1.5912063360506548
Energy: 1.5919798503826068
Energy: 1.5868667952725797
Energy: 1.5905788734889683
Energy: 1.7061568764582131
Energy: 1.606677230573361
Energy: 1.6090285630349186
Energy: 1.6082108301824827
Energy: 1.616482906118969
Energy: 1.6092475727444042
Energy: 1.6349494068150554
Energy: 1.6201922532831965
Energy: 1.619801548684855
Energy: 1.590820754842956
Energy: 1.6213850821730986
Energy: 1.6038455070478557
Energy: 1.6351072284932038
Energy: 1.6205732310122636
Energy: 1.6200559556368663
Energy: 1.5902396659450306
Energy: 1.6215115591610865
Energy: 1.6038176784148908
Energy: 1.7204032495731092
Energy: 1.6200563284212848
Energy: 1.6158639482201107
Energy: 1.6384349138075793
Energy: 1.6298746790760912
Energy: 1.6173995732255781
Energy: 1.6669042505893652
Energy: 1.5954359937810447
Energy: 1.596611515142825
Energy: 1.6466805240793234
Energy: 1.5885224473147541
Energy: 1.59608494474966
Energy: 1.661336205617937
Energy: 1.6030315959422903
Energy: 1.6032080429630846
Energy: 1.6459654716757761
Energy: 1.617018595261166
Energy: 1.6162394331671666
Energy: 1.6367096946402935
Energy: 1.603759702944635
Energy: 1.6027987898376987
Energy: 1.5982517682629027
Energy: 1.603486705253361
Energy: 1.6026545309835356
Energy: 1.6629264015831828
Energy: 1.6047236695254974
Energy: 1.6022497682432266
Energy: 1.6137783275908473
Energy: 1.603195635803799
Energy: 1.603016738215644
Energy: 1.7369261849791284
Energy: 1.6046382517992503
Energy: 1.6036714491802222
Energy: 1.603028142111684
Energy: 1.6018873822614024
Energy: 1.6043465487728772
Energy: 1.659866275271548
Energy: 1.603366185917506
Energy: 1.6043503696227157
Energy: 1.6651630039817067
Energy: 1.6031139908197383
Energy: 1.6042222273886935
Energy: 1.6372634157070356
Energy: 1.661986721575788
Energy: 1.6362255903958824
Energy: 1.6052379887053552
Energy: 1.6336111870299121
Energy: 1.5885647012601352
Energy: 1.6478724551781507
Energy: 1.6028096868568196
Energy: 1.6045070544907236
Energy: 1.6480133943795179
Energy: 1.603240119048761
Energy: 1.6027928012082684
Energy: 1.6620600980281421
Energy: 1.5992625352292007
Energy: 1.5979691567301049
Energy: 1.6421785989071966
Energy: 1.6003289914457572
Energy: 1.6313833735028858
Energy: 1.8064952056897265
Energy: 1.5983374705144182
Energy: 1.6244944460009652
Energy: 1.6408683167662457
Energy: 1.5985967018092127
Energy: 1.6264613532088161
Energy: 1.722507825267282
Energy: 1.6323809061617094
Energy: 1.6309754462791195
Energy: 1.6301572749772237
Energy: 1.633436265447743
Energy: 1.6446155587322397
Energy: 1.6476545061807628
Energy: 1.6463347093788125
Energy: 1.616705088204469
Energy: 1.5931379899665163
Energy: 1.6532884106585295
Energy: 1.6038567428205392
Energy: 1.7831796243612503
Energy: 1.6270638990623203
Energy: 1.602588118880237
Energy: 1.603371367533974
Energy: 1.6473796790542625
Energy: 1.602909317878333
Energy: 1.6648573782508505
Energy: 1.6033613187297937
Energy: 1.6019593656661661
Energy: 1.701500473036034
Energy: 1.6031823125029594
Energy: 1.601409275981821
Energy: 1.6511025566520035
Energy: 1.6034768361346057
Energy: 1.6052668263392387
Energy: 1.6035660938468694
Energy: 1.6036627646451562
Energy: 1.6039286945531854
Energy: 1.6524293828094174
Energy: 1.6024226930918553
Energy: 1.6051255721983373
Energy: 1.6025250490858742
Energy: 1.6026928257136386
Energy: 1.6034817919705444
Energy: 1.6496526702009762
Energy: 1.602226266422741
Energy: 1.604735449537309
Energy: 1.6032180041687751
Energy: 1.6036756557052079
Energy: 1.6022512300849732
Energy: 1.7013820847921832
Energy: 1.5952379665594003
Energy: 1.594156219345845
Energy: 1.6236837972977058
Energy: 1.5995955028957811
Energy: 1.593752221946342
Energy: 1.9134531250951003
Energy: 1.6269373060179444
Energy: 1.6031429649936606
Energy: 1.6039835238764248
Energy: 1.6371695085240794
Energy: 1.6017514551548573
Energy: 1.6710894225382755
Energy: 1.6189354143529282
Energy: 1.610794298221171
Energy: 1.593411304456705
Energy: 1.6191635398964508
Energy: 1.601569802713422

minimum gb energy = 1.5868667952725797 eV
minimum distance =  2.35633608842399 Angstroms
sigma value = 57


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

Energy: 2.404838846495992
Energy: 1.7724888853662364
Energy: 1.7719283248161573
Energy: 1.7680571373775875
Energy: 1.7508087040556253
Energy: 1.771155252183266
Energy: 1.7783695271510855
Energy: 1.707873620436612
Energy: 1.7078059948762059
Energy: 1.709486057581031
Energy: 1.7676747613462858
Energy: 1.7083130341698265
Energy: 1.9401482629912183
Energy: 1.692348096589786
Energy: 1.6915116539053456
Energy: 1.7684638123709342
Energy: 1.6935690936672927
Energy: 1.7115978669624952
Energy: 1.7835187849135272
Energy: 1.7072204081432567
Energy: 1.7055640255614646
Energy: 1.7707309367494406
Energy: 1.6932319961427365
Energy: 1.7067881000042207
Energy: 1.7595488639131154
Energy: 1.7110196518980274
Energy: 1.7070313194089954
Energy: 1.7086633939432994
Energy: 1.7064607139827892
Energy: 1.7055959364972766
Energy: 1.7757262445312803
Energy: 1.7072706237000492
Energy: 1.7063917457751931
Energy: 1.7089440114277663
Energy: 1.7093441217956375
Energy: 1.7061468594482287
Energy: 1.7884329409429152
Energy: 1.6911276487720748
Energy: 1.6909388895482667
Energy: 1.706978747412355
Energy: 1.6925894280741647
Energy: 1.7051337372584419
Energy: 1.954149238879518
Energy: 1.7083696193619462
Energy: 1.7091648058544506
Energy: 1.7074657568636424
Energy: 1.707284827025703
Energy: 1.7081486448658938
Energy: 1.7990558098987894
Energy: 1.7102243808538276
Energy: 1.6931270377653402
Energy: 1.6965135055737162
Energy: 1.7076344380745603
Energy: 1.6933608399593536
Energy: 1.7960034515879275
Energy: 1.7104223619464936
Energy: 1.6928889096565232
Energy: 1.6965615094897826
Energy: 1.7089564085558344
Energy: 1.693261859648929
Energy: 1.933600737098268
Energy: 1.7076407631517412
Energy: 1.705716328573698
Energy: 1.7679421036503769
Energy: 1.7081418200801886
Energy: 1.7055938230155843
Energy: 1.7897791313195373
Energy: 1.6920561804360545
Energy: 1.6912846359912466
Energy: 1.70626325654632
Energy: 1.6936095753791132
Energy: 1.7106845833637532
Energy: 1.7632768358248792
Energy: 1.7107455292057085
Energy: 1.7077800550412239
Energy: 1.7644065254052288
Energy: 1.7074711083928569
Energy: 1.7063842059805352
Energy: 1.7809561184570613
Energy: 1.7076829550373065
Energy: 1.7064079904159895
Energy: 1.709136516498266
Energy: 1.7092242063898722
Energy: 1.7059502605343428
Energy: 1.7549094480767717
Energy: 1.6942039247739848
Energy: 1.7060745469192262
Energy: 1.708427744727586
Energy: 1.6913474529330104
Energy: 1.7053852400585647
Energy: 1.9486910365564056
Energy: 1.693975282782463
Energy: 1.692356264989619
Energy: 1.7086800535410243
Energy: 1.6906116765650718
Energy: 1.7051156746234264
Energy: 1.7764332187456708
Energy: 1.7081486597647977
Energy: 1.707593755551367
Energy: 1.6971443729011522
Energy: 1.7680071204736825
Energy: 1.7086233708657501

minimum gb energy = 1.6906116765650718 eV
minimum distance =  2.35831215655641 Angstroms
sigma value = 9


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

Energy: 1.9265471870434807
Energy: 1.8199015274357102
Energy: 1.7871587672944662
Energy: 1.800681257469486
Energy: 1.9320737980373508
Energy: 1.7867495433547553
Energy: 1.968929846139906
Energy: 1.7427441828984955
Energy: 1.7425175627385265
Energy: 1.7429884638139819
Energy: 1.7449404513655082
Energy: 1.7555409602274148
Energy: 1.8906274533791962
Energy: 1.8028570695878996
Energy: 1.7581415389560673
Energy: 1.7608712001607876
Energy: 1.800348939931502
Energy: 1.7570345766067905
Energy: 1.7475661181666404
Energy: 1.7609517244721546
Energy: 1.7528584338120397
Energy: 1.7645724672762912
Energy: 1.7246048734770554
Energy: 1.7553477530508308
Energy: 1.748292649689318
Energy: 1.6894085509303136
Energy: 1.7131996787166905
Energy: 1.7476825063036867
Energy: 1.6912200661317873
Energy: 1.7150165381437434
Energy: 1.7454527345918458
Energy: 1.7153316372798189
Energy: 1.711975656945627
Energy: 1.7260765634725324
Energy: 1.7200672907092014
Energy: 1.7135960534633823
Energy: 1.7722807506788962
Energy: 1.7928682706275432
Energy: 1.7670582972765096
Energy: 1.7097111758509131
Energy: 1.8224231504128494
Energy: 1.767720301105281
Energy: 1.9112624232593691
Energy: 1.713199493546585
Energy: 1.7147712723799677
Energy: 1.7135224951890193
Energy: 1.7152329252749
Energy: 1.714576532694007
Energy: 1.87398201621944
Energy: 1.7132572950701854
Energy: 1.7130862683662007
Energy: 1.7783309629612059
Energy: 1.7150484151942018
Energy: 1.753781552284458
Energy: 1.870807306527212
Energy: 1.7139955200211865
Energy: 1.713425001611225
Energy: 1.7785297009567567
Energy: 1.7192097050359818
Energy: 1.7137967332791342
Energy: 1.913157164676531
Energy: 1.7295309970050214
Energy: 1.7274853248424058
Energy: 1.7142253509648617
Energy: 1.7163668168908306
Energy: 1.7257640411009179
Energy: 1.8593269305541953
Energy: 1.7558991942360493
Energy: 1.7544658403724005
Energy: 1.7452527560758628
Energy: 1.7488996062471827
Energy: 1.7558351593500945
Energy: 1.854635887135835
Energy: 1.757041550041928
Energy: 1.7574362825072287
Energy: 1.8288240970431566
Energy: 1.760530034628784
Energy: 1.7965581674246043
Energy: 1.8568158606265783
Energy: 1.760578420133849
Energy: 1.7586473349507634
Energy: 1.7224339029238627
Energy: 1.7577825533020583
Energy: 1.7542341868188775
Energy: 1.8598698845543025
Energy: 1.711462512777758
Energy: 1.7112859222533772
Energy: 1.7502768663921564
Energy: 1.7132914981651375
Energy: 1.7427693720729711
Energy: 1.8341867877476128
Energy: 1.747004265141851
Energy: 1.7106049181294516
Energy: 1.728341770977451
Energy: 1.7742059240353516
Energy: 1.7107989010778015
Energy: 1.813700512373228
Energy: 1.7539372152141033
Energy: 1.7527013784500645
Energy: 1.7569054535375126
Energy: 1.7569769650397176
Energy: 1.7565301046854014
Energy: 1.8118526963827613
Energy: 1.7281047919898203
Energy: 1.7501806681167063
Energy: 1.7975395676230899
Energy: 1.7442536479057367
Energy: 1.7930733484080819
Energy: 1.849382523902433
Energy: 1.8056768213486174
Energy: 1.8035678319286985
Energy: 1.816351018613729
Energy: 1.7678650958819677
Energy: 1.8003170209764972
Energy: 1.7619656619033615
Energy: 1.8041945141718183
Energy: 1.8002154676996502
Energy: 1.8006578727613356
Energy: 1.8089172088568495
Energy: 1.757067576155533
Energy: 1.8591696870202012
Energy: 1.7432289914540644
Energy: 1.7463131109350942
Energy: 1.7132643960690663
Energy: 1.7449762964341715
Energy: 1.747864150247949

minimum gb energy = 1.6894085509303136 eV
minimum distance =  2.33376996182846 Angstroms
sigma value = 27


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

Energy: 2.509293233905281
Energy: 1.7271664812821304
Energy: 1.737398242344242
Energy: 1.7122873726782162
Energy: 1.7286760851460325
Energy: 1.7373840000973197
Energy: 1.8558569055237568
Energy: 1.7807018916123394
Energy: 1.6992219454341304
Energy: 1.7233959748259238
Energy: 1.770482119950888
Energy: 1.6966965042878461
Energy: 1.8246155033472777
Energy: 1.7475064589382843
Energy: 1.7696508084006202
Energy: 1.6937040833253119
Energy: 1.7390716711623055
Energy: 1.7703780903250783
Energy: 1.857353648727911
Energy: 1.7561070400276693
Energy: 1.7227329965885878
Energy: 1.7222194572893024
Energy: 1.700068024264342
Energy: 1.7215808148920093
Energy: 1.7602655155030842
Energy: 1.7105523615714506
Energy: 1.680531915193253
Energy: 1.7414533462089554
Energy: 1.7115684765958346
Energy: 1.6799373296473101
Energy: 1.837920668544114
Energy: 1.7023377090900715
Energy: 1.758749369105234
Energy: 1.7021605423273232
Energy: 1.7023592463974173
Energy: 1.757447620225833
Energy: 1.8119264016645984
Energy: 1.7160666406519458
Energy: 1.7174160668544247
Energy: 1.69091833816581
Energy: 1.7165151479795286
Energy: 1.7172716355823023
Energy: 1.8665656279419482
Energy: 1.7186935703893418
Energy: 1.7631372296458698
Energy: 1.7115335948873962
Energy: 1.7222855849080292
Energy: 1.7622074341725078
Energy: 1.910169586064856
Energy: 1.7033401225606026
Energy: 1.7031033132223738
Energy: 1.702032679365772
Energy: 1.7031032216381434
Energy: 1.701377145880501
Energy: 1.9102795289337338
Energy: 1.6889876323559967
Energy: 1.7003645247239847
Energy: 1.7011308610752975
Energy: 1.6890447112858635
Energy: 1.6993692543197914
Energy: 1.865982215332738
Energy: 1.7524127514561918
Energy: 1.7467651146071452
Energy: 1.7035289629575714
Energy: 1.7268319035359523
Energy: 1.7038003353236741
Energy: 1.722799701311602
Energy: 1.6946871249980597
Energy: 1.6939754763835535
Energy: 1.693637314683831
Energy: 1.6949022173241446
Energy: 1.6940592971294741
Energy: 1.717574129425104
Energy: 1.6971819499750826
Energy: 1.6933595562689685
Energy: 1.7021633660457132
Energy: 1.7040030909053487
Energy: 1.6927892467932457
Energy: 1.7087135667584543
Energy: 1.6957370937491636
Energy: 1.693075192784447
Energy: 1.711188930640632
Energy: 1.6997639728035774
Energy: 1.6924803428533202
Energy: 1.7235717373324624
Energy: 1.697263536182868
Energy: 1.6943930704091101
Energy: 1.693394998659686
Energy: 1.6940569474098348
Energy: 1.6925745180765417
Energy: 1.847378439075928
Energy: 1.7027385579003766
Energy: 1.7020885593785282
Energy: 1.7068222639461264
Energy: 1.7044883271290465
Energy: 1.7018864634005384
Energy: 1.757180613819746
Energy: 1.6924171843332858
Energy: 1.6925447297388396
Energy: 1.7490831807099976
Energy: 1.7025257073763644
Energy: 1.6924419088875264
Energy: 1.8369723268933322
Energy: 1.7061283697545686
Energy: 1.7044535230215982
Energy: 1.7055319798187234
Energy: 1.732483368616928
Energy: 1.7027673482168983
Energy: 1.8340023365185647
Energy: 1.7213199372270707
Energy: 1.7188227232771727
Energy: 1.7046914210410846
Energy: 1.7157220211660216
Energy: 1.7182118542194247
Energy: 1.8225626621165123
Energy: 1.7212103265975935
Energy: 1.7188536540716783
Energy: 1.7030912247896648
Energy: 1.715522337073954
Energy: 1.718165726570483
Energy: 1.8802330117240003
Energy: 1.7017707473710413
Energy: 1.704101857794778
Energy: 1.7024407475778314
Energy: 1.7017014168202254
Energy: 1.7022734732730704
Energy: 1.7559893215840607
Energy: 1.7967778648807378
Energy: 1.7266184821293131
Energy: 1.7423323286170371
Energy: 1.8039794898717154
Energy: 1.7272638850360964
Energy: 1.8245544254110253
Energy: 1.7585788992791123
Energy: 1.740691105930151
Energy: 1.7108744122997444
Energy: 1.732074241051787
Energy: 1.7402966101514268
Energy: 1.824723156694861
Energy: 1.7874504239127231
Energy: 1.757331960550149
Energy: 1.7230825467394684
Energy: 1.7638488932133773
Energy: 1.7218476273537873
Energy: 1.858491833310575
Energy: 1.7106078821759936
Energy: 1.7116668996099855
Energy: 1.7250218297454876
Energy: 1.7618854204420282
Energy: 1.7297253622109865

minimum gb energy = 1.6799373296473101 eV
minimum distance =  2.31165011896826 Angstroms
sigma value = 19


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

Energy: 1.8129225764510701
Energy: 1.6560873934879141
Energy: 1.6682283595853122
Energy: 1.6743139306962134
Energy: 1.6528605178900755
Energy: 1.6664707309529814
Energy: 1.823541936439242
Energy: 1.693260055835568
Energy: 1.6905883896251817
Energy: 1.6889712877891816
Energy: 1.629312327855586
Energy: 1.6913487165364232
Energy: 1.7962952914088548
Energy: 1.6832296147313
Energy: 1.676826773400444
Energy: 1.6565778742978887
Energy: 1.6729441118453012
Energy: 1.6759126717000847
Energy: 1.7594677038738626
Energy: 1.6915576570433524
Energy: 1.687493745141889
Energy: 1.688264962525093
Energy: 1.6899229212808917
Energy: 1.6869992830837934
Energy: 1.755052243904376
Energy: 1.6557251682076022
Energy: 1.6690667147644898
Energy: 1.6904410756027888
Energy: 1.664081622723805
Energy: 1.6699606461843226
Energy: 1.7595234399153834
Energy: 1.692003459235107
Energy: 1.6890162355633502
Energy: 1.6451044954406084
Energy: 1.689197384749766
Energy: 1.68884019317096
Energy: 1.7615304665832083
Energy: 1.6738134310587465
Energy: 1.6748928232074565
Energy: 1.6339506352570614
Energy: 1.6733803297617302
Energy: 1.6630770633090277
Energy: 1.7599924627341783
Energy: 1.67093123411196
Energy: 1.6912939662477808
Energy: 1.6290720852115619
Energy: 1.671665731759396
Energy: 1.691780542464692
Energy: 1.738389121333154
Energy: 1.672726386481958
Energy: 1.6780841890414542
Energy: 1.6815906512452592
Energy: 1.6765409048054816
Energy: 1.6772212779315285
Energy: 1.7343201747013788
Energy: 1.676033786286784
Energy: 1.6727960873008965
Energy: 1.6816030029614255
Energy: 1.6725142053784199
Energy: 1.672118020534926
Energy: 1.7521443873055906
Energy: 1.6552176883778618
Energy: 1.6552282600053851
Energy: 1.677741875002632
Energy: 1.6574937802485383
Energy: 1.657844878204641
Energy: 1.7763341763782288
Energy: 1.6789896084139695
Energy: 1.6758290390977326
Energy: 1.663923633354042
Energy: 1.66433885019157
Energy: 1.675011396004357
Energy: 1.767789613206197
Energy: 1.6336520510277641
Energy: 1.6629488516756574
Energy: 1.6805395710361106
Energy: 1.640398077645833
Energy: 1.6714432685946599
Energy: 1.8238022434418804
Energy: 1.674116816561132
Energy: 1.6753161452315595
Energy: 1.6548696437912023
Energy: 1.6007280341228767
Energy: 1.6733923343127113
Energy: 1.7753107552112664
Energy: 1.6421443352112164
Energy: 1.6409392493033776
Energy: 1.6587163425966645
Energy: 1.6542465903166823
Energy: 1.6406825121022948
Energy: 1.7724996168958953
Energy: 1.664052277028313
Energy: 1.6602258653096147
Energy: 1.6578163752887587
Energy: 1.6571957801150052
Energy: 1.6596414186087314
Energy: 1.7515759876543386
Energy: 1.6727522771992964
Energy: 1.6691062140638548
Energy: 1.6532953785689908
Energy: 1.6525727667298309
Energy: 1.6691617136813053
Energy: 1.787218624375173
Energy: 1.6421778607976014
Energy: 1.6621333462913372
Energy: 1.6413541659361282
Energy: 1.6371468670723481
Energy: 1.66199882326906
Energy: 1.770736595465752
Energy: 1.6734111738742274
Energy: 1.6732377223868453
Energy: 1.6668916450822155
Energy: 1.6824715397456993
Energy: 1.636671464720778
Energy: 1.7120834215453786
Energy: 1.6729778971538072
Energy: 1.6729793778177293
Energy: 1.637506099676582
Energy: 1.6725682556029908
Energy: 1.6428788825737324
Energy: 1.7170571189353614
Energy: 1.656464725849225
Energy: 1.658429132979054
Energy: 1.6576417762912774
Energy: 1.6569917904198777
Energy: 1.6590995122546117
Energy: 1.716897752218444
Energy: 1.6794827440923408
Energy: 1.6766924772081933
Energy: 1.6856325510214933
Energy: 1.6753262641340403
Energy: 1.67721699089101
Energy: 1.7273816309652317
Energy: 1.6541435269136848
Energy: 1.6572810885470606
Energy: 1.6009698518366036
Energy: 1.6544415926852465
Energy: 1.6070629736601978
Energy: 1.7735515255377177
Energy: 1.6536985914388025
Energy: 1.6569166256651975
Energy: 1.6185716493539901
Energy: 1.6540168063528775
Energy: 1.6573376247719478
Energy: 1.7744143081350487
Energy: 1.6767380080809011
Energy: 1.6798854615958547
Energy: 1.6834844732810852
Energy: 1.6683990188576108
Energy: 1.6795527734589708
Energy: 1.7593433136101768
Energy: 1.6685070471622114
Energy: 1.6720748677494843
Energy: 1.6958255892474896
Energy: 1.6688585612360491
Energy: 1.6723246217796446
Energy: 1.7721336310318119
Energy: 1.673813904083845
Energy: 1.6749875136877135
Energy: 1.6744037048427622
Energy: 1.674537917998929
Energy: 1.6753593607461645
Energy: 1.7962434532830867
Energy: 1.6970659640942494
Energy: 1.694426601256263
Energy: 1.6885284930914595
Energy: 1.6955700414135804
Energy: 1.6928534347141024
Energy: 1.7847775721279722
Energy: 1.675773306594928
Energy: 1.674616538767298
Energy: 1.6539601337915781
Energy: 1.6290575121331847
Energy: 1.6551386050417103

minimum gb energy = 1.6007280341228767 eV
minimum distance =  2.33100822945028 Angstroms
sigma value = 101


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

Energy: 1.7750365867006919
Energy: 1.6037807002109457
Energy: 1.6029740543448592
Energy: 1.5594125144697357
Energy: 1.5664796956843408
Energy: 1.5586009537238368
Energy: 1.7939134860450372
Energy: 1.5961522557420966
Energy: 1.5937920808819683
Energy: 1.5922605981843387
Energy: 1.5918569892372465
Energy: 1.593054257636485
Energy: 1.7522304325145301
Energy: 1.5927320774314782
Energy: 1.5849442225620183
Energy: 1.5935505733861353
Energy: 1.59264380500078
Energy: 1.5821452540556837
Energy: 1.6961622854638572
Energy: 1.5923514840169952
Energy: 1.588617755449084
Energy: 1.5894875595528493
Energy: 1.5982491342276206
Energy: 1.5883032093627654
Energy: 1.6753202115788188
Energy: 1.5884368919246499
Energy: 1.5918478567721424
Energy: 1.5911834631159725
Energy: 1.5939579577906084
Energy: 1.6102311450595919
Energy: 1.692090832917108
Energy: 1.592858105869317
Energy: 1.5898420544414265
Energy: 1.591376168946657
Energy: 1.5981836100153712
Energy: 1.5895619624608148
Energy: 1.6508680900476334
Energy: 1.5883639157656704
Energy: 1.5806123583273781
Energy: 1.608441368956105
Energy: 1.587891185090195
Energy: 1.5783024997272557
Energy: 1.6757724529555371
Energy: 1.5962562314895283
Energy: 1.59442589671381
Energy: 1.5766206427211409
Energy: 1.596009400747157
Energy: 1.5948921929057753
Energy: 1.6595764861913003
Energy: 1.5927561448828815
Energy: 1.5867562277770582
Energy: 1.5885865203308616
Energy: 1.5814730161545927
Energy: 1.5861551146489703
Energy: 1.6645681810282618
Energy: 1.5942995099252628
Energy: 1.5909079463265268
Energy: 1.59171970281303
Energy: 1.5999214410158147
Energy: 1.5905293297749734
Energy: 1.6979716938254694
Energy: 1.5561159358258212
Energy: 1.557320164977168
Energy: 1.5822353304981884
Energy: 1.5891519197734958
Energy: 1.5565418657534995
Energy: 1.724577650752948
Energy: 1.595061726618031
Energy: 1.592129023875716
Energy: 1.5903256271832473
Energy: 1.588316278427868
Energy: 1.5920452209100056
Energy: 1.687846500149159
Energy: 1.594687148590779
Energy: 1.594312118495593
Energy: 1.5904944961029202
Energy: 1.5948308474728494
Energy: 1.5961071157436522
Energy: 1.6866672558382083
Energy: 1.6077073074391506
Energy: 1.5944596271477294
Energy: 1.5874317699468137
Energy: 1.5905774225124876
Energy: 1.5949599002411539
Energy: 1.7236117012215524
Energy: 1.5995563860621305
Energy: 1.576741482864233
Energy: 1.592927159592211
Energy: 1.6027051210544556
Energy: 1.592762713477709
Energy: 1.7530296014184237
Energy: 1.5916932768698362
Energy: 1.5890940056784377
Energy: 1.59108864569576
Energy: 1.5898461225339335
Energy: 1.5884815528395537
Energy: 1.6851088613377139
Energy: 1.6104130744115068
Energy: 1.58983211220921
Energy: 1.5719373342056255
Energy: 1.6121192513699842
Energy: 1.5849468324245788
Energy: 1.7924690671118795
Energy: 1.581115602851699
Energy: 1.596026803445888
Energy: 1.591595916982642
Energy: 1.5800950426975353
Energy: 1.591219282758622
Energy: 1.7515332069922402
Energy: 1.597458488707029
Energy: 1.5946354755899736
Energy: 1.581138542980471
Energy: 1.5941643786933697
Energy: 1.5946471872649401
Energy: 1.6935163113611438
Energy: 1.5962352285828
Energy: 1.5932186427211636
Energy: 1.5833804715419766
Energy: 1.6012818860406486
Energy: 1.5928498505685018
Energy: 1.6760662671716444
Energy: 1.5804480166444377
Energy: 1.581129365416627
Energy: 1.5949665070215442
Energy: 1.5814295118304835
Energy: 1.5887270322835243
Energy: 1.6913534657439502
Energy: 1.593295487172249
Energy: 1.5899888206248376
Energy: 1.5910757827566253
Energy: 1.5893197577207858
Energy: 1.5899084949842694
Energy: 1.6915905650097827
Energy: 1.5836451387079549
Energy: 1.5835834862297318
Energy: 1.5838903743866712
Energy: 1.585725097263533
Energy: 1.5822671419775156
Energy: 1.698961436699422
Energy: 1.5889594747398124
Energy: 1.5891356003979111
Energy: 1.5756544916714017
Energy: 1.589576986716945
Energy: 1.5836907536147298
Energy: 1.658987842012521
Energy: 1.5962013467637328
Energy: 1.5931278317642419
Energy: 1.6169164689321018
Energy: 1.6016059496893507
Energy: 1.5928161570193757
Energy: 1.659514662419692
Energy: 1.59690625158731
Energy: 1.5932130925448968
Energy: 1.591539969822583
Energy: 1.592497699232344
Energy: 1.5928053014774732
Energy: 1.6968706986729305
Energy: 1.5887420669220604
Energy: 1.5867904666997033
Energy: 1.5823658517760968
Energy: 1.5898604701295806
Energy: 1.5868698552559564
Energy: 1.7244618285112
Energy: 1.5915290867454859
Energy: 1.5895324125890598
Energy: 1.5837466347743094
Energy: 1.5929873930762455
Energy: 1.5952592623183628
Energy: 1.689500164219608
Energy: 1.5925741615951565
Energy: 1.5927276618009834
Energy: 1.585008740422236
Energy: 1.5932046054415812
Energy: 1.5932395773638608
Energy: 1.6921602519497998
Energy: 1.5883064852922997
Energy: 1.587618175214141
Energy: 1.5888347017887705
Energy: 1.5922277972712202
Energy: 1.5874748453339824
Energy: 1.7229508319978533
Energy: 1.5964452234036095
Energy: 1.5938998980520327
Energy: 1.5928755195535673
Energy: 1.5943155785038783
Energy: 1.5938152042870575
Energy: 1.751777609775355
Energy: 1.595588222802573
Energy: 1.591753270483199
Energy: 1.5926098307668322
Energy: 1.5987135355128086
Energy: 1.590871399170241
Energy: 1.685721566856104
Energy: 1.5913140084686233
Energy: 1.5819153880071575
Energy: 1.5877828411465895
Energy: 1.5936941173512447
Energy: 1.5814470758022483

minimum gb energy = 1.5561159358258212 eV
minimum distance =  2.3492881109613 Angstroms
sigma value = 33


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

Energy: 0.016757652813545913
Energy: 0.017817165633502524
Energy: 0.01766091865735426
Energy: 0.019110371616486353
Energy: 2.159707134016632
Energy: 0.01752947164387928
Energy: 0.018468406958214903
Energy: 0.18664422648164242
Energy: 0.18453922021167513
Energy: 0.18736205090786057
Energy: 0.18666181838059984
Energy: 0.18368468411072625
Energy: 2.6956701669871617
Energy: 2.1490902000804564
Energy: 2.1550748699580944
Energy: 2.155874576397452
Energy: 2.160097520105592
Energy: 2.1529046489236894
Energy: 0.695028921848937
Energy: 0.18664422648164242
Energy: 0.18453922021167513
Energy: 0.18736205090827232
Energy: 0.18666181838016385
Energy: 0.18368468411113797

minimum gb energy = 0.016757652813545913 eV
minimum distance =  2.53766765511074 Angstroms
sigma value = 1