Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Ni__MO_700541006254_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917642831802
cohesive_energy=4.450350014520368
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9905923153806198e-19, 2.8384161247944e-19, 3.48808272811506e-19, 4.0176822144837597e-19, 4.463071296969419e-19, 4.84454955352482e-19, 5.175110636651699e-19, 5.463662648435099e-19, 5.716694404242719e-19, 5.9391085645746e-19, 6.13462217922162e-19, 6.30637551438642e-19, 6.456932052683399e-19, 6.588246449606038e-19, 6.702097121218079e-19, 6.799926026490119e-19, 6.883014906729359e-19, 6.95245324204692e-19, 7.009234381955879e-19, 7.0541754365395795e-19, 7.088061472348679e-19, 7.11153336003678e-19, 7.125231970257479e-19, 7.1296860213e-19, 7.12491153493068e-19, 7.1094985957116e-19, 7.08162072228e-19, 7.03906691088096e-19, 6.979273678900079e-19, 6.89911678190106e-19, 6.794895191859359e-19, 6.662122814199779e-19, 6.4953842918994e-19, 6.288062635459799e-19, 6.032050831112939e-19, 5.71731925312998e-19, 5.331386945532059e-19, 4.85855257730598e-19, 4.2789812017228195e-19, 3.56721423206832e-19, 2.6902948949810996e-19, 1.6049804431094998e-19, 2.5378798317886796e-20, -1.4412588194109418e-19, -3.5915512951387797e-19, -6.36894051194412e-19, -1.005383461777974e-18, -1.51311163491594e-18, -2.2496162117994e-18, -3.3929935448871597e-18, -5.3287433540859595e-18, -8.97712385443272e-18, -1.67919326479638e-17, -3.6084061933284595e-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: 0.018089586499182027
Energy: 0.15940011089593978
Energy: 0.9196610645446319
Energy: 0.01856198039156437
Energy: 0.15940011089593978
Energy: 1.7034030008202803
Energy: 0.01856198039156437
Energy: 1.7034030008202803
Energy: 0.9196610645446319
Energy: 0.01856198039156437
Energy: 0.018089586499182027
Energy: 0.15940011089593978
Energy: 0.01856198039156437
Energy: 1.703403000819656
Energy: 0.1594001108953155
Energy: 1.703403000819656

minimum gb energy = 0.018089586499182027 eV
minimum distance =  2.4396507260863 Angstroms
sigma value = 1


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

Energy: 1.779048763139334
Energy: 1.348624597037709
Energy: 1.3492136463130238
Energy: 1.2377605233372753
Energy: 1.2326607437851158
Energy: 1.3556810528495273
Energy: 1.2329144240570944
Energy: 1.3556810528495273
Energy: 1.3521206748420995
Energy: 1.347294555661733
Energy: 1.9309317055996431
Energy: 1.3472945556625346
Energy: 1.2383649243548844
Energy: 1.2321200193000406
Energy: 1.2330645055698906
Energy: 1.2321200193000406
Energy: 1.6607502371232548
Energy: 1.2330021350104934
Energy: 1.234098491031193
Energy: 1.2330021350096918
Energy: 1.293652800857561
Energy: 1.3538219959862374
Energy: 1.246788381744882
Energy: 1.3538219959862374
Energy: 1.295481277786388
Energy: 1.2936516050753668
Energy: 1.6597450128056674
Energy: 1.2936516050761686
Energy: 1.2730155995283587
Energy: 1.273546204292929
Energy: 1.3300421323463556
Energy: 1.273546204291326
Energy: 1.4442502595130908
Energy: 1.3944711538644676
Energy: 1.4500738278740872
Energy: 1.3944711538636658
Energy: 1.3260047728470634
Energy: 1.3653685122716979
Energy: 1.2886856179191444
Energy: 1.3653685122733012
Energy: 1.5409638714417406
Energy: 1.3944570545459078
Energy: 1.4458463268066857
Energy: 1.3944570545459078
Energy: 1.2737985069482327
Energy: 1.422892680475579
Energy: 1.3339808566826048
Energy: 1.4228926804739757
Energy: 1.291033846040866
Energy: 1.3203925669190029
Energy: 1.7837516325714533
Energy: 1.3203925669198044
Energy: 1.2955784442374385
Energy: 1.3211819588205482
Energy: 1.2899776064783444
Energy: 1.3211819588197466
Energy: 1.7819760369846942
Energy: 1.2325307747615535
Energy: 1.2367688733430235
Energy: 1.2325307747607515
Energy: 1.2832520645393544
Energy: 1.231714206020795
Energy: 1.2328872859456586
Energy: 1.231714206020795
Energy: 1.3476965545567874
Energy: 1.3473953756524355
Energy: 2.0822023362183133
Energy: 1.3473953756524355
Energy: 1.2326621668316422
Energy: 1.2319428581403908
Energy: 1.2296215873404026
Energy: 1.2319428581411926
Energy: 1.9318665560701294
Energy: 1.3480398900376147
Energy: 1.3551401725185377
Energy: 1.3480398900384165
Energy: 1.2944055329720352
Energy: 1.2322853779756318
Energy: 1.2373342268899965
Energy: 1.2322853779764336
Energy: 1.2323718749901713
Energy: 1.2332352890781177
Energy: 1.6619724486198726
Energy: 1.2332352890773162
Energy: 1.247091425744077
Energy: 1.3576552702788314
Energy: 1.293170530205485
Energy: 1.3576552702796332
Energy: 1.660714995904433
Energy: 1.2924454938273133
Energy: 1.2681735148759645
Energy: 1.2924454938273133
Energy: 1.3303466688728893
Energy: 1.2680313672262489
Energy: 1.2754844732737525
Energy: 1.2680313672262489
Energy: 1.3415205928288125
Energy: 1.3968523189073707
Energy: 1.4446160547668272
Energy: 1.3968523189073707
Energy: 1.2909136553826162
Energy: 1.3689085250586537
Energy: 1.328626172542736
Energy: 1.3689085250570505
Energy: 1.4450921821771312
Energy: 1.3968572932186818
Energy: 1.2837706176159203
Energy: 1.3968572932178802
Energy: 1.3312580853362046
Energy: 1.3783819589714692
Energy: 1.273726242874111
Energy: 1.3783819589714692
Energy: 1.2539594248803234
Energy: 1.3199719101372458
Energy: 1.2905413306116262
Energy: 1.3199719101364442
Energy: 1.2902601995202465
Energy: 1.2904972648036754
Energy: 1.2932288346094005
Energy: 1.2904972648036754
Energy: 1.2352541386143177
Energy: 1.2325528110193718
Energy: 1.2535562005588046
Energy: 1.2325528110193718
Energy: 1.232686551988549
Energy: 1.2318102947213865
Energy: 1.2834115135468414
Energy: 1.231810294719783
Energy: 1.2304067331245117
Energy: 1.237958351944275
Energy: 1.3482525235653233
Energy: 1.2379583519450768

minimum gb energy = 1.2296215873404026 eV
minimum distance =  2.21967470930689 Angstroms
sigma value = 1


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

Energy: 2.009566954842848
Energy: 1.413032787494664
Energy: 1.4120061780717605
Energy: 1.2877660876730426
Energy: 1.2826956239524474
Energy: 1.4128317677349675
Energy: 1.2833886870163456
Energy: 1.4128317677358815
Energy: 1.4155685438310601
Energy: 1.4107140988549889
Energy: 1.8476517811117297
Energy: 1.4107140988577307
Energy: 1.2911148937540733
Energy: 1.2836041717164963
Energy: 1.283877873914499
Energy: 1.2836041717155822
Energy: 1.8490440342377803
Energy: 1.2863078122579732
Energy: 1.2841033434652265
Energy: 1.286307812257059
Energy: 1.3561286973998399
Energy: 1.4159197118366162
Energy: 1.300720963169221
Energy: 1.415919711840272
Energy: 1.364502842382322
Energy: 1.3858257645980885
Energy: 1.5636855466232233
Energy: 1.3858257645962604
Energy: 1.3267209131282836
Energy: 1.3693233409859922
Energy: 1.3929476904086049
Energy: 1.3693233409887344
Energy: 1.5658806304119948
Energy: 1.460482152474941
Energy: 1.4452037021934743
Energy: 1.4604821524758549
Energy: 1.3940077591645292
Energy: 1.4763336161461125
Energy: 1.3281421911264815
Energy: 1.4763336161470266
Energy: 1.6900119545713315
Energy: 1.3878492973963892
Energy: 1.3649114985613686
Energy: 1.3878492973963892
Energy: 1.3504523316982429
Energy: 1.3894821066534835
Energy: 1.3552955882490632
Energy: 1.3894821066553116
Energy: 1.2885915045334242
Energy: 1.28355301854143
Energy: 1.6873319868737724
Energy: 1.2835530185405157
Energy: 1.2834780142130044
Energy: 1.2832521423030867
Energy: 1.3373967040730068
Energy: 1.283252142304915
Energy: 2.0106201720125783
Energy: 1.4108745054466272
Energy: 1.4107447376654931
Energy: 1.410874505444799
Energy: 1.2889084251391718
Energy: 1.2934427836132427
Energy: 1.2866282826055675
Energy: 1.2934427836123288
Energy: 1.4138031827577302
Energy: 1.4148487075803544
Energy: 1.8491983640631402
Energy: 1.4148487075803544
Energy: 1.2911435340818924
Energy: 1.4135810775945217
Energy: 1.3554372319557877
Energy: 1.4135810775926934
Energy: 1.8493924833213269
Energy: 1.286315260430798
Energy: 1.2861542948892957
Energy: 1.2863152604298838
Energy: 1.356004989625329
Energy: 1.4188737057698764
Energy: 1.300289928044591
Energy: 1.4188737057689622
Energy: 1.327615971233003
Energy: 1.383728454173656
Energy: 1.5644315651596636
Energy: 1.38372845417
Energy: 1.3262593993076168
Energy: 1.3859539894432604
Energy: 1.3941443470264463
Energy: 1.3859539894396045
Energy: 1.5654451992563452
Energy: 1.4604749385124722
Energy: 1.334994449227793
Energy: 1.46047493850973
Energy: 1.3934070490298585
Energy: 1.4576682733495347
Energy: 1.3283823181310899
Energy: 1.4576682733477069
Energy: 1.3094057906434287
Energy: 1.3888866608683763
Energy: 1.3642356659136874
Energy: 1.3888866608665482
Energy: 1.3505211471094833
Energy: 1.3577640971937417
Energy: 1.3562046014718272
Energy: 1.3577640971928275
Energy: 1.2874271159090531
Energy: 1.283831788485243
Energy: 1.3085366979399429
Energy: 1.2838317884898134
Energy: 1.283997043077776
Energy: 1.2835562306880606
Energy: 1.3374485397985247
Energy: 1.2835562306908028
Energy: 1.2772951287348913
Energy: 1.2931391805107586
Energy: 1.4101387697018246
Energy: 1.2931391805107586

minimum gb energy = 1.2772951287348913 eV
minimum distance =  2.21473916803176 Angstroms
sigma value = 25


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

Energy: 1.9026503775507608
Energy: 1.4802223357886477
Energy: 1.4808209806099042
Energy: 1.3383837007392319
Energy: 1.3378013436432368
Energy: 1.4709731472828793
Energy: 1.338051444006498
Energy: 1.4709731472828793
Energy: 1.4790107123038307
Energy: 1.4805010500661835
Energy: 1.7317735350182817
Energy: 1.4805010500651208
Energy: 1.3492332207962763
Energy: 1.340710421875394
Energy: 1.3389336064704942
Energy: 1.340710421875394
Energy: 1.7353682874218082
Energy: 1.3397033429078877
Energy: 1.3402541050842383
Energy: 1.3397033429078877
Energy: 1.4289358507403553
Energy: 1.4765229525304708
Energy: 1.357187893701084
Energy: 1.4765229525304708
Energy: 1.4578234325079023
Energy: 1.4841250233899823
Energy: 1.4554828670210094
Energy: 1.4841250233899823
Energy: 1.3728491939287002
Energy: 1.4440094656090063
Energy: 1.4628915427571316
Energy: 1.4440094656090063
Energy: 1.4560514350110236
Energy: 1.4842012364856614
Energy: 1.569907247736463
Energy: 1.4842012364856614
Energy: 1.4292130200571689
Energy: 1.4876307971570761
Energy: 1.4174719643246068
Energy: 1.4876307971570761
Energy: 1.910618918907857
Energy: 1.340180925175381
Energy: 1.3383652060301257
Energy: 1.340180925175381
Energy: 1.3943273535217096
Energy: 1.3395141695947343
Energy: 1.3375271428780222
Energy: 1.3395141695936716
Energy: 1.4780970871007353
Energy: 1.4790197378245469
Energy: 1.9060278437216658
Energy: 1.4790197378245469
Energy: 1.3390606024898555
Energy: 1.3503023123883735
Energy: 1.3491464451792614
Energy: 1.3503023123883735
Energy: 1.7336396564457464
Energy: 1.4795515295634223
Energy: 1.4820529711126722
Energy: 1.4795515295644848
Energy: 1.4271899770669834
Energy: 1.4726797294572993
Energy: 1.3501572324236166
Energy: 1.4726797294572993
Energy: 1.3395440258508367
Energy: 1.3412638033671724
Energy: 1.7346259370466488
Energy: 1.3412638033671724
Energy: 1.355412720217154
Energy: 1.3399290208898378
Energy: 1.4280199928024109
Energy: 1.3399290208898378
Energy: 1.4553967485237926
Energy: 1.4845623452714722
Energy: 1.428788442040553
Energy: 1.4845623452714722
Energy: 1.4645198096969378
Energy: 1.4654023104248508
Energy: 1.3756220392726266
Energy: 1.4654023104248508
Energy: 1.3651838548152446
Energy: 1.484004048762621
Energy: 1.4568566298117342
Energy: 1.484004048762621
Energy: 1.415237404050333
Energy: 1.4698293817367367
Energy: 1.428671251155089
Energy: 1.4698293817367367
Energy: 1.3398358092734282
Energy: 1.340672086706029
Energy: 1.3241929333122955
Energy: 1.340672086706029
Energy: 1.3379387502382434
Energy: 1.340083510172233
Energy: 1.3944666733458448
Energy: 1.340083510172233
Energy: 1.3216850580564636
Energy: 1.3502720316858678
Energy: 1.4763677956298187
Energy: 1.35027203168693

minimum gb energy = 1.3216850580564636 eV
minimum distance =  2.21511770428081 Angstroms
sigma value = 9


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

Energy: 1.7440382983381018
Energy: 1.5445183892961283
Energy: 1.5454824586083435
Energy: 1.3778029045371276
Energy: 1.3920204243722993
Energy: 1.5315220122554327
Energy: 1.392360714803158
Energy: 1.5315220122541653
Energy: 1.5452534094262578
Energy: 1.5458443442868783
Energy: 2.051310898733084
Energy: 1.5458443442868783
Energy: 1.4596551413809504
Energy: 1.39210386436455
Energy: 1.3921091461880235
Energy: 1.3921038643632822
Energy: 1.5809556290852562
Energy: 1.3925294037899087
Energy: 1.3916098545542128
Energy: 1.3925294037899087
Energy: 1.5530680575079208
Energy: 1.5753163076122638
Energy: 1.4047992719718687
Energy: 1.5753163076122638
Energy: 1.418319104753168
Energy: 1.539025306973773
Energy: 1.5849193580069512
Energy: 1.539025306973773
Energy: 1.4026345387157284
Energy: 1.5406067353904123
Energy: 1.5532100893376384
Energy: 1.54060673539168
Energy: 1.391238236020759
Energy: 1.3922546179548159
Energy: 1.7498124942640894
Energy: 1.3922546179535484
Energy: 1.3928753395883018
Energy: 1.3922911304801528
Energy: 1.4491833531320535
Energy: 1.3922911304801528
Energy: 1.7491444876464255
Energy: 1.5419771800276179
Energy: 1.5427042028398663
Energy: 1.5419771800276179
Energy: 1.4183115800513955
Energy: 1.4350017022022368
Energy: 1.3921452454977887
Energy: 1.4350017022022368
Energy: 1.546000495659972
Energy: 1.5446197651067497
Energy: 2.0540379776222863
Energy: 1.5446197651067497
Energy: 1.4598878932352493
Energy: 1.532054455815105
Energy: 1.5488957499382145
Energy: 1.5320544558163725
Energy: 1.5814713102348643
Energy: 1.3921903891536067
Energy: 1.3921542141842733
Energy: 1.3921903891523393
Energy: 1.5525248437030073
Energy: 1.392256167441285
Energy: 1.392264190588868
Energy: 1.392256167441285
Energy: 1.4195229352134209
Energy: 1.5402015249064536
Energy: 1.5837506896478952
Energy: 1.5402015249077212
Energy: 1.4052052279376763
Energy: 1.5394946682643205
Energy: 1.5512436648951562
Energy: 1.5394946682655881
Energy: 1.390260542020378
Energy: 1.3942817343585816
Energy: 1.3605401839761877
Energy: 1.3942817343573144
Energy: 1.3926457409192976
Energy: 1.4349731336503375
Energy: 1.448907526466846
Energy: 1.4349731336503375
Energy: 1.356905601400639
Energy: 1.43393880185484
Energy: 1.5420106418984092
Energy: 1.4339388018535728

minimum gb energy = 1.356905601400639 eV
minimum distance =  2.21994909839743 Angstroms
sigma value = 25


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

Energy: 1.5169184618212754
Energy: 1.5975241370608908
Energy: 1.5984660746968244
Energy: 1.3876425569786184
Energy: 1.417515984255716
Energy: 1.4983577959387306
Energy: 1.5238702008423122
Energy: 1.4983577959387306
Energy: 1.5975647064238352
Energy: 1.5988984101659693
Energy: 1.8571747599747286
Energy: 1.5988984101659693
Energy: 1.5064835173099025
Energy: 1.5284079372248303
Energy: 1.524264928065063
Energy: 1.5284079372248303
Energy: 1.4417972829327619
Energy: 1.448052502848436
Energy: 1.448356405030801
Energy: 1.448052502848436
Energy: 1.6501035158529263
Energy: 1.5817622058444725
Energy: 1.4174313948235955
Energy: 1.5817622058444725
Energy: 1.5212337348405347
Energy: 1.448705236824677
Energy: 1.4456316821621116
Energy: 1.448705236824677
Energy: 1.3668672139369
Energy: 1.5286954263669623
Energy: 1.4176185306623896
Energy: 1.5286954263669623
Energy: 1.5956857288890147
Energy: 1.5957277856589078
Energy: 2.2174835263320642
Energy: 1.5957277856589078
Energy: 1.52446919749261
Energy: 1.4852546941990128
Energy: 1.6391120463428879
Energy: 1.4852546941990128
Energy: 1.8587881595281102
Energy: 1.5981085486913271
Energy: 1.5995257287060929
Energy: 1.5981085486913271
Energy: 1.649315311739958
Energy: 1.4991035577417977
Energy: 1.5076632022034082
Energy: 1.4991035577433651
Energy: 1.419934176249006
Energy: 1.4859938194283804
Energy: 1.4419403012770244
Energy: 1.4859938194283804
Energy: 1.4498948854893912
Energy: 1.4798824852057388
Energy: 1.652212984419008
Energy: 1.4798824852057388
Energy: 1.4442381426214421
Energy: 1.527980443621844
Energy: 1.3672291459712564
Energy: 1.527980443621844
Energy: 1.5240568022245138
Energy: 1.4839211537479906
Energy: 1.521671257110637
Energy: 1.4839211537479906
Energy: 1.639616287322712
Energy: 1.3752395841613119
Energy: 1.5047941879038498
Energy: 1.3752395841613119

minimum gb energy = 1.3668672139369 eV
minimum distance =  2.29427038129777 Angstroms
sigma value = 17


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

Energy: 2.1037577751996372
Energy: 1.757293289907987
Energy: 1.757756184780217
Energy: 1.625131606581364
Energy: 1.44703107867885
Energy: 1.4488701342320567
Energy: 1.673541757991639
Energy: 1.4488701342320567
Energy: 1.5033804796229173
Energy: 1.5038649988288897
Energy: 1.9109513027830427
Energy: 1.5038649988297774
Energy: 1.4476045561759907
Energy: 1.4495324646373615
Energy: 1.6667310408802047
Energy: 1.4495324646373615
Energy: 1.5926915341170804
Energy: 1.5663089486254005
Energy: 1.4637341265517265
Energy: 1.5663089486254005
Energy: 1.6629463788081171
Energy: 1.5598439976648277
Energy: 1.4492874298170002
Energy: 1.5598439976648277
Energy: 1.7186885316169414
Energy: 1.5035457698637213
Energy: 1.5018368472889407
Energy: 1.5035457698637213
Energy: 1.75734667326598
Energy: 1.4472035280768922
Energy: 1.484544516027779
Energy: 1.4472035280768922
Energy: 1.7594261618153009
Energy: 1.7568563315859809
Energy: 1.9128299128979516
Energy: 1.7568563315859809
Energy: 1.6541159248097361
Energy: 1.5529993373083995
Energy: 1.6593489542406452
Energy: 1.5529993373075115
Energy: 1.5905911661936627
Energy: 1.4275161580843474
Energy: 1.4197223640283398
Energy: 1.4275161580843474
Energy: 1.6335747246710781
Energy: 1.426615029275415
Energy: 1.4263080661138674
Energy: 1.426615029275415
Energy: 1.5059884564042278
Energy: 1.427766535043268
Energy: 1.4256499497982666
Energy: 1.427766535043268
Energy: 1.7178653984460983
Energy: 1.4489895524772307
Energy: 1.4859515894732376
Energy: 1.4489895524781184
Energy: 1.7077194146475185
Energy: 1.635918419372974
Energy: 1.7559474739718939
Energy: 1.635918419372974
Energy: 1.7598313349740584
Energy: 1.6342081039015186
Energy: 1.756627322844707
Energy: 1.6342081039006309
Energy: 1.6315580442260031
Energy: 1.44739786333945
Energy: 1.5057183667624587
Energy: 1.44739786333945
Energy: 1.6320881441683597
Energy: 1.4473248846443056
Energy: 1.502032571996225
Energy: 1.447324884643418
Energy: 1.6598591344339078
Energy: 1.6053061282733823
Energy: 1.5946677538565952
Energy: 1.6053061282724945
Energy: 1.4615391973796492
Energy: 1.5670035749216733
Energy: 1.4484346757611877
Energy: 1.5670035749216733
Energy: 1.447054966251037
Energy: 1.4489152320213539
Energy: 1.7571477450503619
Energy: 1.4489152320213539
Energy: 1.503863576723783
Energy: 1.5056130893571062
Energy: 1.7138409561500823
Energy: 1.5056130893571062
Energy: 1.6588955605137279
Energy: 1.5515659942192104
Energy: 1.596410177131305
Energy: 1.5515659942183224
Energy: 1.9124101498993882
Energy: 1.7562225201680555
Energy: 1.7563298127800426
Energy: 1.7562225201680555
Energy: 1.485707369975535
Energy: 1.4281190067501979
Energy: 1.6339917485592685
Energy: 1.4281190067510856
Energy: 1.4265462438882317
Energy: 1.4269370304603541
Energy: 1.5918826558527246
Energy: 1.4269370304603541
Energy: 1.416175602586135
Energy: 1.5011188677909097
Energy: 1.7599730642786398
Energy: 1.5011188677917977
Energy: 1.4253978206339386
Energy: 1.4268089429325963
Energy: 1.7190432732542735
Energy: 1.4268089429317086
Energy: 1.4832609888554924
Energy: 1.5964896200167995
Energy: 1.5055381543026054
Energy: 1.5964896200176872
Energy: 2.1055753293554598
Energy: 1.7566623010363969
Energy: 1.754827943406555
Energy: 1.7566623010363969

minimum gb energy = 1.416175602586135 eV
minimum distance =  2.23742925098995 Angstroms
sigma value = 53


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

Energy: 1.8525272624576707
Energy: 1.5952468697868323
Energy: 1.596636809163023
Energy: 1.3036161707724987
Energy: 1.5261702794443266
Energy: 1.3863804457837947
Energy: 1.5254429793940218
Energy: 1.3863804457837947
Energy: 1.596279140182512
Energy: 1.596443706651272
Energy: 1.5599038812321604
Energy: 1.596443706651272
Energy: 1.5262465512465597
Energy: 1.3892208112196
Energy: 1.5290344137248095
Energy: 1.3892208112196
Energy: 1.5689426781941267
Energy: 1.3870310789810374
Energy: 1.2721006329140994
Energy: 1.3870310789810374
Energy: 1.5237517588821323
Energy: 1.388772028185657
Energy: 1.2728034197121907
Energy: 1.388772028185657
Energy: 1.8595743489784926
Energy: 1.5943728959036798
Energy: 1.5931333263362164
Energy: 1.5943728959036798
Energy: 1.7655389378327402
Energy: 1.389714279961124
Energy: 1.559461305132569
Energy: 1.389714279961124
Energy: 1.5969322704991993
Energy: 1.596800679913327
Energy: 1.5624246110827347
Energy: 1.5968006799112833
Energy: 1.5237497924086214
Energy: 1.3882836955948714
Energy: 1.5256536924258408
Energy: 1.3882836955948714
Energy: 1.5664307703882194
Energy: 1.3895598340065132
Energy: 1.2730101994292364
Energy: 1.3895598340065132
Energy: 1.5608517603025742
Energy: 1.3879868025659776
Energy: 1.2718182641426916
Energy: 1.3879868025659776
Energy: 1.7659463934433617
Energy: 1.3888065068918185
Energy: 1.5229622507339942
Energy: 1.3888065068897744

minimum gb energy = 1.2718182641426916 eV
minimum distance =  2.28222823387606 Angstroms
sigma value = 9


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

Energy: 1.803050328036574
Energy: 1.8368880010601785
Energy: 1.8403941928914869
Energy: 1.7222193020801182
Energy: 1.5408872764296955
Energy: 1.4218080281634975
Energy: 1.865320458467665
Energy: 1.4218080281619845
Energy: 1.4262022084927108
Energy: 1.4255603215608497
Energy: 1.6874624971719823
Energy: 1.4255603215616064
Energy: 1.4181677506255512
Energy: 1.4214364977627425
Energy: 1.8688502791129498
Energy: 1.4214364977612295
Energy: 1.4257861275550157
Energy: 1.423500990767874
Energy: 1.8805167385737709
Energy: 1.4235009907724128
Energy: 1.549260478350248
Energy: 1.4220036281512234
Energy: 1.8792547242035371
Energy: 1.4220036281497104
Energy: 1.967015068915826
Energy: 1.8051649707880428
Energy: 1.8382482536367297
Energy: 1.8051649707880428
Energy: 1.8550280009890856
Energy: 1.574294405770734
Energy: 1.7624833782593892
Energy: 1.5742944057699777
Energy: 1.5046776916860198
Energy: 1.5739892686259067
Energy: 1.4738096973757817
Energy: 1.573989268622881
Energy: 1.3747354928379432
Energy: 1.4758954386529448
Energy: 1.7376579023466656
Energy: 1.4758954386521885
Energy: 1.541018806764739
Energy: 1.5707503979043758
Energy: 1.8606911498074643
Energy: 1.570750397905132
Energy: 1.600150529399572
Energy: 1.6768397867818408
Energy: 1.8081207298402244
Energy: 1.6768397867818408
Energy: 1.8444497544760723
Energy: 1.5693616286192849
Energy: 1.6789591751363815
Energy: 1.5693616286192849
Energy: 1.8599639592589232
Energy: 1.5709848074933634
Energy: 1.6030897891003373
Energy: 1.5709848074933634
Energy: 1.744538665019304
Energy: 1.4763000880132668
Energy: 1.4995670872866624
Energy: 1.4763000880147796
Energy: 1.5719223559835003
Energy: 1.47931925471265
Energy: 1.4759951452157027
Energy: 1.4793192547134064
Energy: 1.7536649167890361
Energy: 1.5753094631255948
Energy: 1.554480712289458
Energy: 1.5753094631255948
Energy: 1.8388040928746638
Energy: 1.835371600501752
Energy: 1.8043972044087662
Energy: 1.8353716005002392
Energy: 1.8427667943105046
Energy: 1.4213088671676732
Energy: 1.6320085129352446
Energy: 1.421308867169186
Energy: 1.6859321786222148
Energy: 1.4265093237010087
Energy: 1.4281005443743326
Energy: 1.4265093237017654
Energy: 1.8723502836213042
Energy: 1.4232964434218496
Energy: 1.4157788153502298
Energy: 1.423296443422606
Energy: 1.878947207100406
Energy: 1.4225208327997143
Energy: 1.430562879497574
Energy: 1.4225208328004706
Energy: 1.8799474917123942
Energy: 1.4229769198937006
Energy: 1.4167940758853605
Energy: 1.4229769198937006
Energy: 1.8378763115228844
Energy: 1.575298263393798
Energy: 1.8578986454421318
Energy: 1.5752982633990933
Energy: 1.7550967775617943
Energy: 1.5746305157335898
Energy: 1.8550391684435643
Energy: 1.5746305157328335
Energy: 1.4773107565917825
Energy: 1.5725128392373757
Energy: 1.506016056820628
Energy: 1.5725128392373757
Energy: 1.7385770685607136
Energy: 1.4762536317675918
Energy: 1.3737385488682625
Energy: 1.4762536317683483
Energy: 1.8169325078287322
Energy: 1.5699469798127483
Energy: 1.539237400386046
Energy: 1.5699469798112353
Energy: 1.8050273945381334
Energy: 1.6025108728404427
Energy: 1.6000829587819148
Energy: 1.6025108728396862
Energy: 1.6790185698945406
Energy: 1.541103703780394
Energy: 1.8452548814113394
Energy: 1.5411037037811508
Energy: 1.59838661532619
Energy: 1.597972727980428
Energy: 1.6907851983318922
Energy: 1.5979727279789153
Energy: 1.531210292355014
Energy: 1.5256958571361798
Energy: 1.738295250853186
Energy: 1.525695857205774
Energy: 1.4795431971269402
Energy: 1.4805493017845
Energy: 1.5764474406582778
Energy: 1.480549301782987
Energy: 1.5517771173843704
Energy: 1.5742456085606522
Energy: 1.6081141989753303
Energy: 1.5742456085606522
Energy: 1.8051262011747993
Energy: 1.8356585493366369
Energy: 1.8371352455889112
Energy: 1.835658549335124

minimum gb energy = 1.3737385488682625 eV
minimum distance =  2.22197342399769 Angstroms
sigma value = 73


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

Energy: 1.8885513014521118
Energy: 1.676938984917438
Energy: 1.6768384812496022
Energy: 1.5309770110235303
Energy: 1.4484294327455876
Energy: 1.4171342140206162
Energy: 1.6226746150107685
Energy: 1.4171342140194163
Energy: 1.4591332567582305
Energy: 1.4173048305490226
Energy: 1.6207308412465604
Energy: 1.417304830551423
Energy: 1.4179531846092894
Energy: 1.4167322412447292
Energy: 1.846673173004944
Energy: 1.4167322412447292
Energy: 1.4663095567104347
Energy: 1.443454872700156
Energy: 1.8739810619154054
Energy: 1.443454872700156
Energy: 1.4426811589518918
Energy: 1.4432239160420568
Energy: 1.8006287870693214
Energy: 1.4432239160420568
Energy: 1.5826696250611187
Energy: 1.8064058396943647
Energy: 1.8051844396636678
Energy: 1.8064058396931644
Energy: 1.615949686810125
Energy: 1.5882618169967084
Energy: 1.6874134468432673
Energy: 1.5882618169978542
Energy: 1.554793177445767
Energy: 1.6061011226210435
Energy: 1.6491528250411132
Energy: 1.6061011226198432
Energy: 1.4494147266424637
Energy: 1.6562334891312234
Energy: 1.6859928057190783
Energy: 1.6562334891312234
Energy: 1.56244119335594
Energy: 1.3641492543683678
Energy: 1.6873393037791626
Energy: 1.364149254369568
Energy: 1.4948431999518883
Energy: 1.4097488935019753
Energy: 1.7006825807479908
Energy: 1.4097488935067761
Energy: 1.6553724405374557
Energy: 1.5812767379311838
Energy: 1.4711995222146457
Energy: 1.5812767379311838
Energy: 1.6197099976363627
Energy: 1.4837538925978626
Energy: 1.4707179023262937
Energy: 1.4837538925978626
Energy: 1.7544743709686603
Energy: 1.469906021152429
Energy: 1.4707131468423678
Energy: 1.469906021152429
Energy: 1.8775467102728847
Energy: 1.5178578944269114
Energy: 1.5185467412408786
Energy: 1.5178578944257117
Energy: 1.8423288154989392
Energy: 1.543972732167633
Energy: 1.6004801385285596
Energy: 1.543972732167633
Energy: 1.7749808479896492
Energy: 1.7452060030504803
Energy: 2.27487205469752
Energy: 1.7452060030504803
Energy: 1.6483406515119547
Energy: 1.5427113891060042
Energy: 1.6169130651832646
Energy: 1.5427113891072046
Energy: 1.5587997441847894
Energy: 1.5197325509489816
Energy: 1.6110898501401496
Energy: 1.5197325509489816
Energy: 1.6474525411711085
Energy: 1.6304316571466975
Energy: 1.451002608397292
Energy: 1.6304316571466975
Energy: 1.8694722678693252
Energy: 1.5899403299940484
Energy: 1.6172860754043459
Energy: 1.5899403299952486

minimum gb energy = 1.3641492543683678 eV
minimum distance =  2.15713490857641 Angstroms
sigma value = 7


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

Energy: 2.1568409898948424
Energy: 1.6655362123929056
Energy: 1.6658336288936326
Energy: 1.3861589159360954
Energy: 1.5263923655893004
Energy: 1.505878812458767
Energy: 1.7688530706817476
Energy: 1.505878803936953
Energy: 1.39504013971476
Energy: 1.6278873859949579
Energy: 1.5011984325685455
Energy: 1.6278873859949579
Energy: 1.3895246801366505
Energy: 1.3933074034825343
Energy: 1.7865358130411537
Energy: 1.3933074034850803
Energy: 1.395198801549223
Energy: 1.3950918183697734
Energy: 1.6189737132285373
Energy: 1.3950918183697734
Energy: 1.3949966818731818
Energy: 1.395166789272505
Energy: 1.618931495817481
Energy: 1.3951667892742021
Energy: 1.8340008498372813
Energy: 1.395884546982575
Energy: 1.3934897994408644
Energy: 1.395884546982575
Energy: 1.735837521398512
Energy: 1.3954952692899387
Energy: 1.4249688402130494
Energy: 1.3954952692933333
Energy: 1.7656053023887701
Energy: 1.3942223458530567
Energy: 1.3921761440384983
Energy: 1.3942223458522083
Energy: 1.6210285410548262
Energy: 1.5998223235955176
Energy: 1.3972624073858582
Energy: 1.5998223251318158
Energy: 1.5441250463444414
Energy: 1.5053455053893496
Energy: 1.76525274076358
Energy: 1.5053455053876525
Energy: 1.6690049230073574
Energy: 1.6146711009099015
Energy: 1.8913348452458336
Energy: 1.6146711009065067
Energy: 1.5063181879701022
Energy: 1.5054507473585634
Energy: 1.5582371222768554
Energy: 1.5054507473636554
Energy: 1.504167770480752
Energy: 1.4742721694191823
Energy: 1.379142309870786
Energy: 1.474272169420031
Energy: 1.5132469883482973
Energy: 1.505168602805831
Energy: 1.3808173366292362
Energy: 1.5051686028075284
Energy: 1.8001310788487073
Energy: 1.6198194695856902
Energy: 1.6686591615865465
Energy: 1.6198194695848418
Energy: 1.8020968271707083
Energy: 1.5060305384567896
Energy: 1.785767474091921
Energy: 1.506030538457638
Energy: 1.3981923731153267
Energy: 1.6000851794686834
Energy: 1.4985923765502827
Energy: 1.6000851794466184
Energy: 1.3913737186808897
Energy: 1.394582977789091
Energy: 1.7860137353884116
Energy: 1.3945829777924854
Energy: 1.3973285914721683
Energy: 1.3947109166500447
Energy: 1.7954019182931726
Energy: 1.3947109166500447
Energy: 1.3931121071399775
Energy: 1.3958272453077996
Energy: 1.6251393700275896
Energy: 1.3958272453086482
Energy: 1.7359156676693994
Energy: 1.395144735575459
Energy: 1.3951249408958664
Energy: 1.3951447355763076
Energy: 1.8334921547533558
Energy: 1.3958404329727498
Energy: 1.396646503538868
Energy: 1.3958404329710528
Energy: 1.7714863750029703
Energy: 1.3932434922015535
Energy: 1.3904303997966994
Energy: 1.3932434922024022
Energy: 1.6234555920118894
Energy: 1.393570758207269
Energy: 1.3948215514942672
Energy: 1.393570758209815
Energy: 1.7238868265496574
Energy: 1.5062425194708433
Energy: 1.3975214686066602
Energy: 1.5062425194657514
Energy: 1.6660489287705438
Energy: 1.6674910188953103
Energy: 1.8854143110740411
Energy: 1.6674910188936132
Energy: 1.558823978051484
Energy: 1.5052883856024555
Energy: 1.5049633985055233
Energy: 1.5052883856066988
Energy: 1.5028014533691882
Energy: 1.4778294203607072
Energy: 1.55682124896076
Energy: 1.4778294203624047
Energy: 1.5596669860545487
Energy: 1.506371184024226
Energy: 1.3796751931070899
Energy: 1.506371183994523
Energy: 1.8000315265128957
Energy: 1.5102602435868335
Energy: 1.5788878501305872
Energy: 1.5102602438786168

minimum gb energy = 1.379142309870786 eV
minimum distance =  2.16615747828051 Angstroms
sigma value = 29


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

Energy: 1.1920621465220602
Energy: 1.6168568031234525
Energy: 1.5191621021642552
Energy: 1.193848432778725
Energy: 1.3649137860827698
Energy: 1.371567414455651
Energy: 1.3335058728195193
Energy: 1.371567414455651
Energy: 1.5176693044128924
Energy: 1.6191977528119126
Energy: 1.20217984697165
Energy: 1.6191977528119126
Energy: 1.2531347546008365
Energy: 1.220327905835619
Energy: 1.227231962529092
Energy: 1.2203279058362102
Energy: 1.2185516329487072
Energy: 1.2240507582495717
Energy: 1.1958235193961704
Energy: 1.224050758248718
Energy: 1.2275325751064587
Energy: 1.3742811514114501
Energy: 1.195692287747267
Energy: 1.3742811514120086
Energy: 1.2047135732363459
Energy: 1.3749373593819099
Energy: 1.5168837903175574
Energy: 1.3749373593813188
Energy: 1.332854486267233
Energy: 1.221265559294143
Energy: 1.2501704051649198
Energy: 1.2212655592935515
Energy: 1.1962778000980308
Energy: 1.2198322865566646
Energy: 1.2271709235115826
Energy: 1.2198322865566646

minimum gb energy = 1.1920621465220602 eV
minimum distance =  2.24218086823184 Angstroms
sigma value = 5


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

Energy: 1.6496883751742577
Energy: 1.6311773906070786
Energy: 1.626347383713826
Energy: 1.3837899972358099
Energy: 1.529315951826093
Energy: 1.2964373486888794
Energy: 1.5131233090140586
Energy: 1.2964373486928877
Energy: 1.5205183018730497
Energy: 1.2966516958285734
Energy: 1.4852303514394611
Energy: 1.29665169582697
Energy: 1.3127643905028374
Energy: 1.2949045989536536
Energy: 1.5157491103043925
Energy: 1.294904598955257
Energy: 1.6090403170016232
Energy: 1.3011501832004806
Energy: 1.838227716930535
Energy: 1.3011501832004806
Energy: 1.3946343533210535
Energy: 1.3009716533970344
Energy: 1.836366646190693
Energy: 1.3009716533962326
Energy: 1.2954872767547534
Energy: 1.2943247033874736
Energy: 1.5190044559494753
Energy: 1.2943247033874736
Energy: 1.2966340226588964
Energy: 1.2973709819183334
Energy: 1.6570843657515535
Energy: 1.2973709819183334
Energy: 1.5156644786668794
Energy: 1.3736891900833357
Energy: 1.7058819085593173
Energy: 1.3736891900817323
Energy: 1.4780113087465496
Energy: 1.2863644981565105
Energy: 1.519368454970593
Energy: 1.2863644981565105
Energy: 1.3990962427744547
Energy: 1.2786140251143483
Energy: 1.2790375488373515
Energy: 1.2786140251135465
Energy: 1.69991978264203
Energy: 1.281041459728519
Energy: 1.3290019502491819
Energy: 1.281041459728519
Energy: 1.6581998527615853
Energy: 1.3288417146480995
Energy: 1.5198299738510912
Energy: 1.328841714647298
Energy: 1.5238981651771875
Energy: 1.3739607756451813
Energy: 1.508366040849712
Energy: 1.3739607756443795
Energy: 1.2967513309139693
Energy: 1.3739103637715466
Energy: 1.5114310960072375
Energy: 1.3739103637715466
Energy: 1.2960203262620922
Energy: 1.2952197849114842
Energy: 1.5287468323377005
Energy: 1.2952197849106823
Energy: 1.6298567267460737
Energy: 1.6295362809427474
Energy: 2.169913541623933
Energy: 1.6295362809411442
Energy: 1.5133637558778565
Energy: 1.297311614378902
Energy: 1.3317398967527938
Energy: 1.2973116143781003
Energy: 1.4843785267871044
Energy: 1.2971084152666406
Energy: 1.5135918154662371
Energy: 1.2971084152666406
Energy: 1.5180915581049197
Energy: 1.2954388873708238
Energy: 1.3085147365258265
Energy: 1.2954388873716254
Energy: 1.835462905089764
Energy: 1.299905586252538
Energy: 1.6139591119504115
Energy: 1.2999055862517361
Energy: 1.81962592507984
Energy: 1.3146331320200229
Energy: 1.3983872933655377
Energy: 1.3146331320208244
Energy: 1.51625516461482
Energy: 1.2946859730787597
Energy: 1.2931688891400681
Energy: 1.2946859730771565
Energy: 1.7028809692614526
Energy: 1.296788842488476
Energy: 1.2967374797593143
Energy: 1.2967888424876743
Energy: 1.7032642304626975
Energy: 1.3752173544926252
Energy: 1.3978110585700319
Energy: 1.3752173544918238
Energy: 1.5180863147101629
Energy: 1.2861437236437598
Energy: 1.477471138099457
Energy: 1.2861437236477682
Energy: 1.2828804251343489
Energy: 1.2788490839845823
Energy: 1.5161571621755436
Energy: 1.2788490839845823
Energy: 1.3298732654598648
Energy: 1.279891383167471
Energy: 1.3087149235986753
Energy: 1.2798913831682726
Energy: 1.5544870173151804
Energy: 1.3568416873436122
Energy: 1.6545794605307516
Energy: 1.3568416873444138
Energy: 1.5084206239646707
Energy: 1.3734218002105225
Energy: 1.3965523720193254
Energy: 1.3734218002113243
Energy: 1.5116988539210325
Energy: 1.373511635874054
Energy: 1.2976352430301987
Energy: 1.3735116358732524
Energy: 1.5301400809528378
Energy: 1.2960629158090613
Energy: 1.2979999170492469
Energy: 1.2960629158082597
Energy: 1.3063628158707186
Energy: 1.4367283693797976
Energy: 1.6291196006637003
Energy: 1.4367283693805994

minimum gb energy = 1.2786140251135465 eV
minimum distance =  2.22534975746777 Angstroms
sigma value = 1


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

Energy: 1.7462994295209
Energy: 1.5863462645859439
Energy: 1.5863356843757068
Energy: 1.2613339309680636
Energy: 1.468737331985437
Energy: 1.257852090355393
Energy: 1.542145740815983
Energy: 1.2578520903542845
Energy: 1.5420403134696365
Energy: 1.258271368183279
Energy: 1.5394536872418714
Energy: 1.2582713681843876
Energy: 1.2719691165297702
Energy: 1.2551399108980081
Energy: 1.7363676449625502
Energy: 1.2551399108991168
Energy: 1.3995089485985044
Energy: 1.2577194008771733
Energy: 1.746849083892413
Energy: 1.257719400878282
Energy: 1.3555575499029895
Energy: 1.2723113878883907
Energy: 1.5897854163414145
Energy: 1.2723113878894992
Energy: 1.2526948316195177
Energy: 1.2549135785183678
Energy: 1.7357221921024473
Energy: 1.2549135785183678
Energy: 1.2578541861563737
Energy: 1.2588992600917324
Energy: 1.7552810035903628
Energy: 1.2588992600917324
Energy: 1.7329312811076645
Energy: 1.363506752908858
Energy: 1.7855355337460033
Energy: 1.363506752906641
Energy: 1.508611955134612
Energy: 1.260756034683937
Energy: 1.4624364901210851
Energy: 1.260756034683937
Energy: 1.7370348544302763
Energy: 1.367357076646975
Energy: 1.253438378074101
Energy: 1.367357076646975
Energy: 1.781189605211988
Energy: 1.2579041738057395
Energy: 1.3550359304682293
Energy: 1.257904173806848
Energy: 1.776548672478113
Energy: 1.2731762509475972
Energy: 1.3964157822714207
Energy: 1.2731762509487057
Energy: 1.7356382656096885
Energy: 1.255701118179835
Energy: 1.5370294558284179
Energy: 1.2557011181820517
Energy: 1.270528037320008
Energy: 1.258533791737334
Energy: 1.5410629999840886
Energy: 1.258533791737334
Energy: 1.2703852358559056
Energy: 1.256853564496266
Energy: 1.752919643130564
Energy: 1.2568535644973744
Energy: 1.5888589170892455
Energy: 1.2604545747272595
Energy: 2.1104379005611573
Energy: 1.2604545747239342
Energy: 1.2722457465006505
Energy: 1.2597187105788794
Energy: 1.5897348630959993
Energy: 1.2597187105788794
Energy: 1.2536510794006028
Energy: 1.2571560528887737
Energy: 1.787551545047301
Energy: 1.2571560528898822
Energy: 1.4642608449191425
Energy: 1.2597861134236157
Energy: 1.7556059381341713
Energy: 1.2597861134225072
Energy: 1.5354270665429373
Energy: 1.3658138939083322
Energy: 1.740132709001004
Energy: 1.3658138939094404
Energy: 1.5295701888832605
Energy: 1.351926665014022
Energy: 1.2577485265918698
Energy: 1.3519266650129134
Energy: 1.750724951940291
Energy: 1.2554535755781677
Energy: 1.2557693290893852
Energy: 1.255453575577059
Energy: 1.74839867540575
Energy: 1.2568973580503968
Energy: 1.3554632243136957
Energy: 1.2568973580492881

minimum gb energy = 1.2526948316195177 eV
minimum distance =  2.22368860375017 Angstroms
sigma value = 17


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

Energy: 1.8555678191379619
Energy: 1.6275446904858923
Energy: 1.6293153030495051
Energy: 1.3452209887189388
Energy: 1.7582515478864071
Energy: 1.2540673354602758
Energy: 1.4421888729488368
Energy: 1.2540673354609608
Energy: 1.6085962440381973
Energy: 1.333451983206314
Energy: 1.4116435058312444
Energy: 1.333451983205629
Energy: 1.5550934365917435
Energy: 1.2382703236962085
Energy: 1.3426982447280102
Energy: 1.238270323696894
Energy: 1.4876879309385047
Energy: 1.2431136021050613
Energy: 1.7339273263297987
Energy: 1.2431136021078018
Energy: 1.278704765452128
Energy: 1.2716148694538172
Energy: 1.5918252501132204
Energy: 1.2716148694531322
Energy: 1.240887288700182
Energy: 1.2388498963087586
Energy: 1.3451555866250133
Energy: 1.2388498963087586
Energy: 1.2702127106943195
Energy: 1.2408696796462033
Energy: 1.861789014247969
Energy: 1.2408696796462033
Energy: 1.7318886994876568
Energy: 1.240736414045746
Energy: 1.7743476729471697
Energy: 1.2407364140430055
Energy: 1.404746473535496
Energy: 1.2555150918617077
Energy: 1.4362079647949215
Energy: 1.2555150918617077
Energy: 1.8163927677230287
Energy: 1.3359379579606123
Energy: 1.2602336500719644
Energy: 1.3359379579606123
Energy: 1.593190190223691
Energy: 1.256320912182869
Energy: 1.510352458095089
Energy: 1.256320912183554
Energy: 1.5992914873340716
Energy: 1.3196432794371884
Energy: 1.3518030713375464
Energy: 1.3196432794371884
Energy: 1.5979068121094628
Energy: 1.2519708163215373
Energy: 1.2553240144250162
Energy: 1.2519708163215373
Energy: 1.557320542360535
Energy: 1.25349659961766
Energy: 1.2606198406265028
Energy: 1.25349659961766
Energy: 1.861173624857202
Energy: 1.3200174293143616
Energy: 1.2543670595502894
Energy: 1.3200174293143616
Energy: 1.251227266434569
Energy: 1.258712282191672
Energy: 1.7045142920746976
Energy: 1.2587122821909866
Energy: 1.2569214694109916
Energy: 1.2525426322592206
Energy: 1.8176833885101489
Energy: 1.2525426322605906
Energy: 1.3281077341233816
Energy: 1.2543055755286554
Energy: 1.770924448734371
Energy: 1.2543055755279702
Energy: 1.635382189246579
Energy: 1.4055676961382488
Energy: 1.8568902556234645
Energy: 1.405567696140304
Energy: 1.4415566227484153
Energy: 1.2540818126509865
Energy: 1.5952471646145565
Energy: 1.2540818126523567
Energy: 1.4393797179779282
Energy: 1.3355037522242372
Energy: 1.6034434674447833
Energy: 1.3355037522256072
Energy: 1.335389222182497
Energy: 1.238697708097113
Energy: 1.600255070916997
Energy: 1.2386977080984831
Energy: 1.7196241306789892
Energy: 1.2442103736796322
Energy: 1.2699791617553708
Energy: 1.2442103736796322
Energy: 1.817934311937621
Energy: 1.2423196308746527
Energy: 1.2729831802023566
Energy: 1.2423196308732825
Energy: 1.5357575620298953
Energy: 1.2399947811300276
Energy: 1.2453012376727937
Energy: 1.2399947811307128
Energy: 1.8580325129659694
Energy: 1.2742947129973647
Energy: 1.2709736360697377
Energy: 1.2742947129973647
Energy: 1.771232365777889
Energy: 1.2414882474003426
Energy: 1.734489198501311
Energy: 1.2414882473996574
Energy: 1.4490745856815535
Energy: 1.2528290536835283
Energy: 1.4083294683939769
Energy: 1.2528290536862685
Energy: 1.2625293543218306
Energy: 1.2511468739521867
Energy: 1.8205992174856243
Energy: 1.2511468739528715
Energy: 1.5154961003127732
Energy: 1.2572657813861505
Energy: 1.5940686072144763
Energy: 1.2572657813875208
Energy: 1.352257894535708
Energy: 1.2652223386344732
Energy: 1.8222978204089966
Energy: 1.265222338637899
Energy: 1.252108752733703
Energy: 1.2508216664350271
Energy: 1.8174139886567795
Energy: 1.2508216664363974
Energy: 1.253111924363158
Energy: 1.25441338285708
Energy: 1.554704167127444
Energy: 1.2544133828577653
Energy: 1.8175370303903688
Energy: 1.3179987039293561
Energy: 1.857075043644009
Energy: 1.317998703928671
Energy: 1.7032921786832216
Energy: 1.2562443805696295
Energy: 1.2513409295639644
Energy: 1.256244380570315
Energy: 1.8173733058125565
Energy: 1.251471337790491
Energy: 1.252735264568564
Energy: 1.2514713377911761
Energy: 1.2612292541881802
Energy: 1.255352968942709
Energy: 1.3344995426320296
Energy: 1.255352968942709

minimum gb energy = 1.2382703236962085 eV
minimum distance =  2.21883155731273 Angstroms
sigma value = 89


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

Energy: 1.9375966610354436
Energy: 1.1515144696735715
Energy: 1.1511361161846627
Energy: 1.2176764387807548
Energy: 1.5237204660239132
Energy: 1.155214095482228
Energy: 1.5199431098073923
Energy: 1.1552140954804355
Energy: 1.1409444025155544
Energy: 1.2878840925536186
Energy: 1.5199677774944025
Energy: 1.2878840925536186
Energy: 1.1425180463507103
Energy: 1.2898451041502974
Energy: 1.269822789403187
Energy: 1.2898451041502974
Energy: 1.2649842447294435
Energy: 1.1532661386571568
Energy: 1.512679401540864
Energy: 1.1532661386589496
Energy: 1.152469838758308
Energy: 1.1541576998805536
Energy: 1.5109831092542998
Energy: 1.1541576998805536
Energy: 1.149748147250495
Energy: 1.150397532864311
Energy: 1.2666649460142063
Energy: 1.150397532864311
Energy: 1.1517075206565102
Energy: 1.1525719800323573
Energy: 1.847399334311066
Energy: 1.1525719800305647
Energy: 1.5025551439256764
Energy: 1.1553802368381492
Energy: 1.8474965176632285
Energy: 1.1553802368381492
Energy: 1.5446946903901333
Energy: 1.2890348327091543
Energy: 1.2665768502339203
Energy: 1.2890348327091543
Energy: 1.5298787785501102
Energy: 1.28821010594568
Energy: 1.1394539243810098
Energy: 1.28821010594568
Energy: 1.5103055021515026
Energy: 1.155305071049217
Energy: 1.2694830162178026
Energy: 1.155305071049217
Energy: 1.514613876966209
Energy: 1.1531134175659736
Energy: 1.1517564507512354
Energy: 1.1531134175677662
Energy: 1.2672612886147812
Energy: 1.1500181418846116
Energy: 1.147420151941406
Energy: 1.1500181418846116
Energy: 1.848044731057414
Energy: 1.1526940060265276
Energy: 1.1526720449576313
Energy: 1.1526940060265276

minimum gb energy = 1.1394539243810098 eV
minimum distance =  2.24204138700093 Angstroms
sigma value = 13


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

Energy: 1.7436346040376305
Energy: 1.524288562237193
Energy: 1.523388634509934
Energy: 1.2035350977000137
Energy: 1.6736454829072944
Energy: 1.1273595615026275
Energy: 1.2738582902642634
Energy: 1.1273595615048815
Energy: 1.724194120870821
Energy: 1.1270346550596118
Energy: 1.2764612630749688
Energy: 1.1270346550596118
Energy: 1.4141595462293532
Energy: 1.2218145908346374
Energy: 1.2717256852736585
Energy: 1.2218145908376425
Energy: 1.6076671150681874
Energy: 1.2183215174383366
Energy: 1.5938352776468145
Energy: 1.2183215174398394
Energy: 1.274409787352915
Energy: 1.1268253846649274
Energy: 1.5948366528906959
Energy: 1.126825384661922
Energy: 1.2788280076688996
Energy: 1.1279083438084407
Energy: 1.6779082648082946
Energy: 1.1279083438121973
Energy: 1.2143433968747073
Energy: 1.1685739851584622
Energy: 1.8365727226353068
Energy: 1.1685739851607162
Energy: 1.1269099312769215
Energy: 1.129485792009754
Energy: 1.823849710432694
Energy: 1.1294857920082513
Energy: 1.1282222057656888
Energy: 1.1267581538347804
Energy: 1.7861496568313262
Energy: 1.1267581538377858
Energy: 1.1275180019303068
Energy: 1.1366870739315997
Energy: 1.7450726965465146
Energy: 1.1366870739263404
Energy: 1.5631889886803627
Energy: 1.127525394224617
Energy: 1.6101951887826838
Energy: 1.127525394221612
Energy: 1.5964097043271839
Energy: 1.2089101378904266
Energy: 1.5626321086298218
Energy: 1.2089101378851674
Energy: 1.6399870769012952
Energy: 1.1261833566247799
Energy: 1.4162400164001647
Energy: 1.1261833566240287
Energy: 1.8415036494711068
Energy: 1.1307021798116264
Energy: 1.6013630914485748
Energy: 1.130702179810875
Energy: 1.8326719249621792
Energy: 1.1297839870755109
Energy: 1.1441662942286706
Energy: 1.1297839870792674
Energy: 1.6788298803700894
Energy: 1.1275922862413172
Energy: 1.1281681217583115
Energy: 1.1275922862405656
Energy: 1.747180856020551
Energy: 1.1724746703025877
Energy: 1.127268703104732
Energy: 1.1724746703033393
Energy: 1.8881672213248593
Energy: 1.1294454960092137
Energy: 1.3600627863952688
Energy: 1.1294454960062084
Energy: 1.605194411019405
Energy: 1.1265998499191103
Energy: 1.2718515749167205
Energy: 1.1265998499206131
Energy: 1.4106826201042522
Energy: 1.1330303797444896
Energy: 1.2720564630796551
Energy: 1.133030379742987
Energy: 1.5742224039207053
Energy: 1.2137278674249827
Energy: 1.6308783365071862
Energy: 1.2137278674264853
Energy: 1.2745756060868152
Energy: 1.128554101165717
Energy: 1.5932376047745758
Energy: 1.128554101163463
Energy: 1.1291239651730929
Energy: 1.1263519959784414
Energy: 1.684075111886351
Energy: 1.1263519959709283
Energy: 1.3106138276291355
Energy: 1.1666549628480376
Energy: 1.828777840745737
Energy: 1.1666549628495404
Energy: 1.1698240654848922
Energy: 1.1342405751798927
Energy: 1.8301375753359215
Energy: 1.1342405751791413
Energy: 1.1268758649170565
Energy: 1.1261538069103507
Energy: 1.6107126008913062
Energy: 1.1261538069103507
Energy: 1.1274924664903008
Energy: 1.1315728390298228
Energy: 1.7489587107545985
Energy: 1.1315728390320767
Energy: 1.5953242703969461
Energy: 1.1270825943608116
Energy: 1.89180475645999
Energy: 1.127082594357055
Energy: 1.2705970109719393
Energy: 1.2133255591912935
Energy: 1.5975882759627307
Energy: 1.2133255591935475
Energy: 1.676777292909582
Energy: 1.2208925673513507
Energy: 1.4119267603939238
Energy: 1.220892567352102
Energy: 1.7802760646621094
Energy: 1.128585736663
Energy: 1.5956320700682292
Energy: 1.1285857366660053
Energy: 1.8430932131663946
Energy: 1.1324029930302024
Energy: 1.1269802738446044
Energy: 1.1324029930279484
Energy: 1.685750182563931
Energy: 1.1263253952001597
Energy: 1.127039363183878
Energy: 1.1263253952009111
Energy: 1.8762727609801084
Energy: 1.1693397252767845
Energy: 1.1643994637618196
Energy: 1.1693397252760331

minimum gb energy = 1.1261538069103507 eV
minimum distance =  2.23360226426 Angstroms
sigma value = 37


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

Energy: 1.7047031097408796
Energy: 1.0701578154170577
Energy: 1.07262388433333
Energy: 1.158591599640451
Energy: 1.5972816534161847
Energy: 1.0717173364799646
Energy: 1.3292305738548251
Energy: 1.0717173364799646
Energy: 1.6221685879470555
Energy: 1.2128856896474338
Energy: 1.344384459733808
Energy: 1.2128856896474338
Energy: 1.6621026168473676
Energy: 1.3262136349905327
Energy: 1.331917003308107
Energy: 1.3262136349917961
Energy: 1.596833059316557
Energy: 1.2136512515779505
Energy: 1.410223232716309
Energy: 1.2136512515779505
Energy: 1.338471435158032
Energy: 1.0622180903842093
Energy: 1.57165388518094
Energy: 1.0622180903842093
Energy: 1.1601506953689058
Energy: 1.0614095926756872
Energy: 1.5281012998540153
Energy: 1.06140959267698
Energy: 1.4779960677779613
Energy: 1.0615177422835473
Energy: 1.8146778868237927
Energy: 1.0615177422835473
Energy: 1.1691413176719787
Energy: 1.0647752188268027
Energy: 1.8123853555911131
Energy: 1.0647752188268027
Energy: 1.1849911954887822
Energy: 1.0347895117759067
Energy: 1.5291148106939787
Energy: 1.0347895117771995
Energy: 1.3243789649652453
Energy: 1.3253962458147766
Energy: 1.5335619754465548
Energy: 1.3253962458147766
Energy: 1.421325351932824
Energy: 1.0345158712068065
Energy: 1.5292054001986484
Energy: 1.0345158712055138
Energy: 1.4486425026170597
Energy: 1.204778406439061
Energy: 1.623051479687964
Energy: 1.204778406439061
Energy: 1.4409803810144564
Energy: 1.2056306197728257
Energy: 1.6619839387299176
Energy: 1.2056306197728257
Energy: 1.410223232716309
Energy: 1.2052886014359465
Energy: 1.5271582560218881
Energy: 1.2052886014359465
Energy: 1.599711608966192
Energy: 1.3891350099366662
Energy: 1.3541272275490608
Energy: 1.3891350099366662
Energy: 1.5994982404806182
Energy: 1.0701422825815394
Energy: 1.1603978151493675
Energy: 1.0701422825815394
Energy: 1.8146778868237927
Energy: 1.1857866768007141
Energy: 1.1938360465755709
Energy: 1.1857866768020067
Energy: 1.8123853555911131
Energy: 1.0704996554031538
Energy: 1.0708611343882848
Energy: 1.0704996554031538
Energy: 1.5965912063104097
Energy: 1.0718664040793031
Energy: 1.0711177874821722
Energy: 1.0718664040793031

minimum gb energy = 1.0345158712055138 eV
minimum distance =  2.21979577695209 Angstroms
sigma value = 25


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

Energy: 1.945290410990355
Energy: 0.9606897037585694
Energy: 0.9604273190172757
Energy: 1.036293120861747
Energy: 1.673376370924115
Energy: 0.9599600791431108
Energy: 1.1453539235344892
Energy: 0.9599600791431108
Energy: 1.7182589885998805
Energy: 0.9589793353566426
Energy: 1.144458711557948
Energy: 0.9589793353576519
Energy: 1.4393572046592946
Energy: 1.0555285177707814
Energy: 1.4555031068750577
Energy: 1.0555285177707814
Energy: 1.7266791253694906
Energy: 1.0725390935513417
Energy: 1.5260539313630674
Energy: 1.0725390935503325
Energy: 1.4426877978742982
Energy: 1.069785919608271
Energy: 1.5265262546433138
Energy: 1.069785919608271
Energy: 1.441298079127651
Energy: 0.9552832029146885
Energy: 1.525712024011349
Energy: 0.9552832029156979
Energy: 1.1681879140228641
Energy: 0.9568189801755188
Energy: 1.6951962429923628
Energy: 0.9568189801755188
Energy: 1.170888039720386
Energy: 0.9553168371376268
Energy: 1.670253720096915
Energy: 0.9553168371366175
Energy: 1.173030352912676
Energy: 0.9560949422926592
Energy: 1.6497705935717406
Energy: 0.9560949422946777
Energy: 1.0403713856559886
Energy: 0.9558023559305766
Energy: 1.6831964279925513
Energy: 0.9558023559305766
Energy: 1.0395848714887423
Energy: 0.9570709371663825
Energy: 1.6495199990348826
Energy: 0.9570709371653731
Energy: 1.053061991846332
Energy: 0.943742009892289
Energy: 1.651065151010614
Energy: 0.9437420098912797
Energy: 1.1156105298129315
Energy: 0.9410246545189591
Energy: 1.6448442075111571
Energy: 0.9410246545199685
Energy: 1.2312209660815612
Energy: 0.9418116526484147
Energy: 1.6509734345524527
Energy: 0.941811652646396
Energy: 1.2265727554539094
Energy: 0.9573141242297292
Energy: 1.7195204453214763
Energy: 0.9573141242307387
Energy: 1.5273382301641507
Energy: 0.9587477225646642
Energy: 1.7214656460892224
Energy: 0.9587477225636548
Energy: 1.2231450086945306
Energy: 1.0729149414076973
Energy: 1.5333295592151919
Energy: 1.0729149414087065
Energy: 1.5233352011128662
Energy: 1.0688349206206582
Energy: 1.4412649480526618
Energy: 1.0688349206196488
Energy: 1.6725871724845542
Energy: 1.0668134373166906
Energy: 1.442385542523903
Energy: 1.0668134373166906
Energy: 1.685165931891513
Energy: 0.9639965065750784
Energy: 1.1668285135534524
Energy: 0.9639965065750784
Energy: 1.673777144027372
Energy: 0.9582144952366002
Energy: 1.0392940009398153
Energy: 0.9582144952386188
Energy: 1.8501303402068916
Energy: 0.9618497766186888
Energy: 1.1667818790113393
Energy: 0.9618497766176793
Energy: 1.6865319703572281
Energy: 0.9585042756293665
Energy: 0.9593514353860204
Energy: 0.9585042756283572
Energy: 1.6708806515110612
Energy: 0.95929393165161
Energy: 0.9609290966538742
Energy: 0.9592939316526196
Energy: 1.7150199033287108
Energy: 0.9751821094021426
Energy: 0.9703945454393447
Energy: 0.9751821094041614

minimum gb energy = 0.9410246545189591 eV
minimum distance =  2.22566453064096 Angstroms
sigma value = 41


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

Energy: 1.9768517743622909
Energy: 0.8688647916529044
Energy: 0.8683400794266017
Energy: 0.9351639780584746
Energy: 1.7244967943084504
Energy: 0.868401554973992
Energy: 1.0259574700119598
Energy: 0.868401554973992
Energy: 1.7206048237917575
Energy: 0.8667354204574695
Energy: 1.0233379590310598
Energy: 0.8667354204574695
Energy: 1.5621681413695316
Energy: 0.8718372293160889
Energy: 1.3316242047919487
Energy: 0.8718372293160889
Energy: 1.7191066307994354
Energy: 0.8643086769370898
Energy: 1.3275906815433585
Energy: 0.8643086769370898
Energy: 1.4763252045021908
Energy: 0.8662689717685581
Energy: 1.331359887053136
Energy: 0.8662689717710407
Energy: 1.4708357569502626
Energy: 0.9610151782752058
Energy: 1.5949253778431944
Energy: 0.9610151782760333
Energy: 1.6017597248352768
Energy: 0.9635694362485282
Energy: 1.3600994095999623
Energy: 0.9635694362477759
Energy: 1.1719817401637402
Energy: 0.8648652991327889
Energy: 1.5979503345366237
Energy: 0.864865299134444
Energy: 1.1765162379168985
Energy: 0.8647625352622128
Energy: 1.724426397283084
Energy: 0.8647625352597302
Energy: 1.0145707647626703
Energy: 0.873404969931691
Energy: 1.765716592726814
Energy: 0.8734049699325186
Energy: 1.0164451024830088
Energy: 0.8662702476302137
Energy: 1.8390508172707138
Energy: 0.8662702476293861
Energy: 1.036353414942848
Energy: 0.8684675683972992
Energy: 1.8337258595251826
Energy: 0.8684675683972992
Energy: 0.8657344287223774
Energy: 0.8775559495105762
Energy: 1.5944878302422938
Energy: 0.8775559495105762
Energy: 0.8668091239873417
Energy: 0.8668086898459431
Energy: 1.7202060623550517
Energy: 0.8668086898459431
Energy: 0.8668418966760919
Energy: 0.8677184389885552
Energy: 1.7105111559130208
Energy: 0.8677184389885552
Energy: 1.0291501422098583
Energy: 0.8703538394511954
Energy: 1.7116731872094728
Energy: 0.8703538394503679
Energy: 1.0145208576271834
Energy: 0.8658222036670676
Energy: 1.7178446821699218
Energy: 0.8658222036678952
Energy: 1.0133505309879063
Energy: 0.8693699774603223
Energy: 1.4820898093822383
Energy: 0.8693699774619774
Energy: 1.338006232647481
Energy: 0.8678510875565335
Energy: 1.4767996231494103
Energy: 0.8678510875573611
Energy: 1.3591243735009797
Energy: 0.8663925268762172
Energy: 1.596811012296771
Energy: 0.8663925268762172
Energy: 1.3390840559884976
Energy: 0.9578337498129034
Energy: 1.4723975247875962
Energy: 0.9578337498120758
Energy: 1.5980876751674868
Energy: 0.9562770038239695
Energy: 1.4733899909062076
Energy: 0.9562770038239695
Energy: 1.3275761048655974
Energy: 0.9584332680859853
Energy: 1.3307735576164486
Energy: 0.9584332680868128
Energy: 1.5959187404026098
Energy: 0.8649553455685369
Energy: 1.161126328200721
Energy: 0.8649553455685369
Energy: 1.6008489581684087
Energy: 0.8674089108231603
Energy: 1.3334665757354038
Energy: 0.8674089108239879
Energy: 1.5927486741336976
Energy: 0.8699643259305714
Energy: 1.0290037247412998
Energy: 0.8699643259322265
Energy: 1.8324652114208477
Energy: 0.86485920433905
Energy: 1.0129099084841815
Energy: 0.8648592043365673
Energy: 1.5913985967290674
Energy: 0.873781325162763
Energy: 1.028364182014587
Energy: 0.873781325162763
Energy: 1.6013215804120036
Energy: 0.8717111171275781
Energy: 0.8667306531300799
Energy: 0.8717111171300608
Energy: 1.833707263388843
Energy: 0.8665088915750053
Energy: 0.868414157133081
Energy: 0.8665088915758329
Energy: 1.71111644623317
Energy: 0.8731864128521607
Energy: 0.8659835002912896
Energy: 0.8731864128513331

minimum gb energy = 0.8643086769370898 eV
minimum distance =  2.23979784499045 Angstroms
sigma value = 15


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

Energy: 1.7224013855941505
Energy: 0.806066312749719
Energy: 1.2783252236943208
Energy: 0.8628743345052149
Energy: 1.7646361889720061
Energy: 0.8046695219527318
Energy: 0.9351716577839494
Energy: 0.8046695219513298
Energy: 1.7632446097798096
Energy: 0.8038411131407424
Energy: 0.934813427257639
Energy: 0.8038411131421445
Energy: 1.5499725529737307
Energy: 0.8083633922836333
Energy: 1.2197981393424093
Energy: 0.8083633922843342
Energy: 1.803008141437601
Energy: 0.8008371691138331
Energy: 1.197439199860239
Energy: 0.8008371691138331
Energy: 1.5564751027400174
Energy: 0.801604440809293
Energy: 1.1991944216904644
Energy: 0.8016044408163033
Energy: 1.369173861876939
Energy: 0.8040950502400568
Energy: 1.444964207639197
Energy: 0.804095050240758
Energy: 1.5574442350004523
Energy: 0.8852331073280516
Energy: 1.2126642430306542
Energy: 0.8852331073294536
Energy: 1.3357603534170375
Energy: 0.8791288021789423
Energy: 1.4426677702255277
Energy: 0.8791288021782411
Energy: 1.3335483447929597
Energy: 1.1077067982886994
Energy: 1.6550718405141105
Energy: 1.1077067982879985
Energy: 1.1988738626115725
Energy: 0.8063377840902842
Energy: 1.549374860002474
Energy: 0.8063377840895831
Energy: 1.0534578705184738
Energy: 0.801412098369945
Energy: 1.6553264630696287
Energy: 0.801412098369945
Energy: 1.200232348936175
Energy: 0.8044414374230251
Energy: 1.658168441787618
Energy: 0.8044414374230251
Energy: 0.9267022128748448
Energy: 0.8078957721554513
Energy: 1.4746670121016068
Energy: 0.8078957721484409
Energy: 0.9276634102921846
Energy: 0.8014038351418343
Energy: 1.860881739005149
Energy: 0.8014038351418343
Energy: 0.9530610932901866
Energy: 0.8062902259517873
Energy: 1.6603953284341664
Energy: 0.8062902259524883
Energy: 0.802908116433547
Energy: 0.8092686276532569
Energy: 1.6514053369533968
Energy: 0.8092686276539579
Energy: 0.80180646629301
Energy: 0.8022298335951743
Energy: 1.8589368760076446
Energy: 0.8022298335958752
Energy: 0.8027052063672154
Energy: 0.8062666525761261
Energy: 1.5610445842086276
Energy: 0.8062666525782293
Energy: 0.9382086227364292
Energy: 0.8045946473832869
Energy: 1.7693858302449332
Energy: 0.8045946473825859
Energy: 0.9239660892959741
Energy: 0.8017944640332006
Energy: 1.758599318131936
Energy: 0.8017944640317987
Energy: 0.9249116686514336
Energy: 0.8074118530352199
Energy: 1.549629107626942
Energy: 0.8074118530352199
Energy: 1.2041913804833126
Energy: 0.8040701047019895
Energy: 1.5528442494377874
Energy: 0.8040701047005874
Energy: 1.2148128486139074
Energy: 0.8006240543811151
Energy: 1.6561368358387996
Energy: 0.8006240543797132
Energy: 1.1994417353366265
Energy: 0.8051598015453904
Energy: 1.3743768892195918
Energy: 0.8051598015453904
Energy: 1.4461075650772932
Energy: 1.1060730116728754
Energy: 1.6573164340876716
Energy: 1.1060730116714732
Energy: 1.2153609396586593
Energy: 0.879418726517456
Energy: 1.443880048511209
Energy: 0.8794187265160538
Energy: 1.4536112486803807
Energy: 0.890486557193779
Energy: 1.3760775266716003
Energy: 0.8904865571944801
Energy: 1.4522358012371344
Energy: 0.8052295733243481
Energy: 1.4458028269572725
Energy: 0.8052295733257502
Energy: 1.4459257934656358
Energy: 0.8018139889296827
Energy: 1.1999307650589117
Energy: 0.8018139889282807
Energy: 1.6645795108678212
Energy: 0.8017699963271796
Energy: 1.0535424807470035
Energy: 0.8017699963278806
Energy: 1.4727481432650094
Energy: 0.8077449956928963
Energy: 1.2018897277173421
Energy: 0.8077449956914944
Energy: 1.6603895319002924
Energy: 0.8049708232872449
Energy: 0.9362803740294983
Energy: 0.8049708232893481
Energy: 1.7630904009141348
Energy: 0.8043074591284791
Energy: 0.9330213647608607
Energy: 0.8043074591291803
Energy: 1.9045576302438743
Energy: 0.9283503742142375
Energy: 0.8664136573143307
Energy: 0.9283503751587786
Energy: 1.862825837582473
Energy: 0.8042945669647986
Energy: 0.8090520943803963
Energy: 0.8042945669662007
Energy: 1.760052790006144
Energy: 0.8046870987058502
Energy: 0.8112783227082769
Energy: 0.8046870987058502

minimum gb energy = 0.8006240543797132 eV
minimum distance =  2.24040442156864 Angstroms
sigma value = 85


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

Energy: 1.8284749259578774
Energy: 0.7318069658954287
Energy: 0.73007573139536
Energy: 0.8272578884970888
Energy: 1.7702861271191985
Energy: 0.7305616129557426
Energy: 0.8356519895429454
Energy: 0.7305616129563506
Energy: 1.5880103874833504
Energy: 0.7299078470133842
Energy: 0.8353610349579349
Energy: 0.7299078470133842
Energy: 1.3946277792077182
Energy: 0.7285367043360176
Energy: 1.0824622465555596
Energy: 0.7285367043354095
Energy: 1.8024762723155483
Energy: 0.7282369320876391
Energy: 1.0813913619708448
Energy: 0.7282369320876391
Energy: 1.3983104748533095
Energy: 0.7291644582902782
Energy: 1.0797453695068355
Energy: 0.7291644582896704
Energy: 1.3960498895300437
Energy: 0.7295133655524987
Energy: 1.2997724020242736
Energy: 0.7295133655506746
Energy: 1.5977573617613572
Energy: 0.7293158986806431
Energy: 1.0830383799813408
Energy: 0.7293158986812512
Energy: 1.3994820489950808
Energy: 0.7297212206165198
Energy: 1.3012520670048764
Energy: 0.7297212206146957
Energy: 1.3996837092478616
Energy: 0.8609820379136817
Energy: 1.4958921700239383
Energy: 0.8609820379136817
Energy: 1.300516541614657
Energy: 1.0371790620726555
Energy: 1.371786754052899
Energy: 1.0371790620726555
Energy: 1.2022501591439185
Energy: 0.7285824576751945
Energy: 1.49628725330117
Energy: 0.7285824576745866
Energy: 1.3053521976734903
Energy: 0.7303187044337707
Energy: 1.4936980870238834
Energy: 0.7303187044325548
Energy: 1.0783881298489553
Energy: 0.7304123348063556
Energy: 1.3116791794703477
Energy: 0.7304123348057476
Energy: 0.9421318165528217
Energy: 0.7283489410253658
Energy: 1.6789547272926637
Energy: 0.7283489410156377
Energy: 1.0780475379933763
Energy: 0.7315043125973955
Energy: 1.4905752015850284
Energy: 0.7315043125986116
Energy: 0.8365679604006204
Energy: 0.7333534923347326
Energy: 1.490795983800571
Energy: 0.7333534923365564
Energy: 0.8353303293966619
Energy: 0.7285600633131769
Energy: 1.8593516827850811
Energy: 0.7285600633131769
Energy: 0.8469134975751328
Energy: 0.7290677136271045
Energy: 1.6745046643863966
Energy: 0.7290677136271045
Energy: 0.7293443948499712
Energy: 0.7292365137357184
Energy: 1.6736508451257712
Energy: 0.7292365137351103
Energy: 0.7299815786299869
Energy: 0.7296562765160549
Energy: 1.8605871455449092
Energy: 0.7296562765160549
Energy: 0.7293939715234038
Energy: 0.7297641202103301
Energy: 1.5849742756208072
Energy: 0.7297641202103301
Energy: 0.8354557239815669
Energy: 0.7286894289001155
Energy: 1.7616428885568047
Energy: 0.7286894289001155
Energy: 0.838751278442016
Energy: 0.7287922379329898
Energy: 1.7742249640766565
Energy: 0.7287922379335978
Energy: 0.8369297849793766
Energy: 0.7287704785774692
Energy: 1.5181550331009521
Energy: 0.7287704785774692
Energy: 1.0809106738720793
Energy: 0.7291178931810002
Energy: 1.7649468425391972
Energy: 0.7291178931816082
Energy: 1.0789735898271016
Energy: 0.7285031981835528
Energy: 1.5894690264894666
Energy: 0.7285031981823368
Energy: 1.3001303995768099
Energy: 0.7298559508807007
Energy: 1.5216559613194693
Energy: 0.7298559508794845
Energy: 1.300588470543885
Energy: 0.7283181147979271
Energy: 1.6013126753385065
Energy: 0.7283181147979271
Energy: 1.3056991992671756
Energy: 0.7299681343170517
Energy: 1.4010801250007843
Energy: 0.7299681343176597
Energy: 1.498057678926133
Energy: 0.8611192003668681
Energy: 1.2239306650667279
Energy: 0.8611192003662601
Energy: 1.298894134825847
Energy: 0.8603520304885027
Energy: 1.5794933768993955
Energy: 0.8603520304885027
Energy: 1.510005614536513
Energy: 0.7299343227321613
Energy: 1.199423296578642
Energy: 0.7299343227327694
Energy: 1.6801993886318685
Energy: 0.7301880673412994
Energy: 1.200668143922058
Energy: 0.7301880673425155
Energy: 1.3694167805247548
Energy: 0.7321726448423612
Energy: 1.2326044361029747
Energy: 0.7321726448423612
Energy: 1.6829218892901334
Energy: 0.7283571763952779
Energy: 1.0790489449669103
Energy: 0.7283571763946699
Energy: 1.6796445539855835
Energy: 0.729655077722824
Energy: 1.0793179382142097
Energy: 0.7296550777234319
Energy: 1.491265242359524
Energy: 0.728470848704113
Energy: 0.8368905993678598
Energy: 0.7284708487077611
Energy: 1.8633649370658283
Energy: 0.7286259080484381
Energy: 0.8375756974851876
Energy: 0.7286259080490461
Energy: 1.6735341767834362
Energy: 0.7290666341478113
Energy: 0.8468077490000453
Energy: 0.7290666341466229
Energy: 1.4888577667756182
Energy: 0.7290613558763311
Energy: 0.7292762857198161
Energy: 0.7290613558757233
Energy: 1.7709986318205715
Energy: 0.7293829857198184
Energy: 0.7292118374262083
Energy: 0.7293829857198184
Energy: 1.5839695550886506
Energy: 0.7301805217577788
Energy: 0.7293423571914217
Energy: 0.7301805217577788

minimum gb energy = 0.7282369320876391 eV
minimum distance =  2.24060936999504 Angstroms
sigma value = 113


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

Energy: 0.020466030855641165
Energy: 0.7100695466029773
Energy: 1.3974332231633513
Energy: 0.021235367190318735
Energy: 0.8612402051554345
Energy: 0.17664726369257197
Energy: 0.8642812241253524
Energy: 0.17664726369257197
Energy: 0.021232298075193556
Energy: 0.17402505610523286
Energy: 0.8618296557020888
Energy: 0.17402505610476543
Energy: 0.02307562535356998
Energy: 0.17420502657881629
Energy: 0.8597131959362212
Energy: 0.17420502657928366
Energy: 0.8635686186752215
Energy: 0.1740015026673248
Energy: 0.8631441013478196
Energy: 0.1740015026682596
Energy: 0.021035710711909187
Energy: 0.17364086153947936
Energy: 0.8617979135706151
Energy: 0.17364086153901195

minimum gb energy = 0.020466030855641165 eV
minimum distance =  2.45809767866562 Angstroms
sigma value = 1