Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860195450484753
cohesive_energy=4.280338510564498
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 8.79692704840674e-21, 1.2913127104115159e-19, 2.7123889107639595e-19, 3.75024689073648e-19, 4.34827534114332e-19, 4.61165715800658e-19, 4.81660759302786e-19, 5.041969758366299e-19, 5.28620556445326e-19, 5.538532362541919e-19, 5.78640510958806e-19, 6.018240068527859e-19, 6.22528935493968e-19, 6.40202545943622e-19, 6.545900921169419e-19, 6.6565632612797995e-19, 6.73527819930822e-19, 6.784577174336401e-19, 6.81713340353928e-19, 6.8397721593777e-19, 6.853006138374539e-19, 6.85731599352e-19, 6.852685703047741e-19, 6.837673307987159e-19, 6.810420283442819e-19, 6.768699603893459e-19, 6.709883699659319e-19, 6.630752195706059e-19, 6.52747588987842e-19, 6.39537642640512e-19, 6.228782100001799e-19, 6.02069139877788e-19, 5.762452568909759e-19, 5.443331026949639e-19, 5.04983644563924e-19, 4.5648415567611e-19, 3.9664446057284396e-19, 3.2263671749511596e-19, 2.30758296241752e-19, 1.1132788428414358e-19, -7.192395214754759e-20, -3.2424850718892e-19, -6.389896982316839e-19, -1.0174077974161438e-18, -1.473178984490124e-18, -2.04905574075528e-18, -2.9438073037789197e-18, -4.393168330428e-18, -6.4144903936487395e-18, -9.263913471918719e-18, -1.40696743291344e-17, -2.3812991093478598e-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: 0.013186206022192901
Energy: 0.23793614854821046
Energy: 0.23728321639498434
Energy: 0.23809233918886835
Energy: 0.23846745403293543
Energy: 0.013407655641433857
Energy: 0.23793614854673537
Energy: 1.087935916456429
Energy: 0.23726422277672868
Energy: 0.23730079676973073
Energy: 0.23764134987872707
Energy: 0.23731052689100382
Energy: 0.23728321639350924
Energy: 0.23726422277622772
Energy: 1.0887677363130905
Energy: 0.013502001290548288
Energy: 0.2372483620816047
Energy: 0.23737762407268612
Energy: 0.23809233918934147
Energy: 0.23730079677020385
Energy: 0.013502001290047317
Energy: 0.01337724244511176
Energy: 0.23765343129295127
Energy: 0.237228465144696
Energy: 0.2384674540319613
Energy: 0.23764134987920021
Energy: 0.23724836208207783
Energy: 0.23765343129295127
Energy: 1.0866100974486068
Energy: 0.23755127000954718
Energy: 0.013407655641934827
Energy: 0.23731052689053067
Energy: 0.23737762407221297
Energy: 0.23722846514322093
Energy: 0.23755127000904616
Energy: 0.013274209313468455

minimum gb energy = 0.013186206022192901 eV
minimum distance =  2.47623646433409 Angstroms
sigma value = 1


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

Energy: 1.9676000884256442
Energy: 1.3698302849448714
Energy: 1.3005655101396567
Energy: 1.2991457757670273
Energy: 1.4053254736667227
Energy: 1.5090383042680653
Energy: 1.6540280136107444
Energy: 1.494587978058841
Energy: 1.3461588591278444
Energy: 1.4649868429443078
Energy: 1.4104314079537341
Energy: 1.514988032756656
Energy: 1.40883464614633
Energy: 1.3432358721699449
Energy: 1.3449947351973612
Energy: 1.3941975843075136
Energy: 1.3476263040350347
Energy: 1.3434648371393976
Energy: 1.298584563187461
Energy: 1.3452254431605952
Energy: 1.5052250838826118
Energy: 1.5986144443408026
Energy: 1.364930455003476
Energy: 1.4033709826149237
Energy: 1.397732982806471
Energy: 1.4274639142978338
Energy: 1.503937824667637
Energy: 1.634581646132073
Energy: 1.840230327194699
Energy: 1.3827907798151633
Energy: 1.397579934096515
Energy: 1.440908358967388
Energy: 1.44704254023057
Energy: 1.4890215026920466
Energy: 1.443342499122417
Energy: 1.4469194617320607
Energy: 1.397601688127095
Energy: 1.4467092254063656
Energy: 1.489923193511341
Energy: 1.6596703225576148
Energy: 1.5406699911011785
Energy: 1.4467585720816254
Energy: 1.4383515014117878
Energy: 1.5494328925443053
Energy: 1.707821453740297
Energy: 1.5620664026756341
Energy: 1.875746112514067
Energy: 1.4766845209627326
Energy: 1.2392083575116177
Energy: 1.4411807233260938
Energy: 1.451865983296467
Energy: 1.6216016945051304
Energy: 1.4469728622859537
Energy: 2.0322268548049673
Energy: 1.6119253708299233
Energy: 1.4478279243190904
Energy: 1.7044854440817339
Energy: 1.3040541859548354
Energy: 1.4532032436782267
Energy: 1.672632469222759
Energy: 1.4384719599268394
Energy: 1.7345155890783521
Energy: 1.4289073043747962
Energy: 1.4144425812693502
Energy: 1.6967157747028556
Energy: 1.366616320295544
Energy: 1.2945821065050567
Energy: 1.295826574002414
Energy: 1.4162751887896794
Energy: 1.5394670324147943
Energy: 1.344069073084324
Energy: 1.2949296790291045
Energy: 1.4185870562590834
Energy: 1.3436600754144044
Energy: 1.4162803362388514
Energy: 1.5393765728036828
Energy: 1.3437754767980852
Energy: 1.3440888359514185
Energy: 1.5263778004877318
Energy: 1.41055096405071
Energy: 1.3885546981457846
Energy: 1.4143093070147899
Energy: 1.3437279457143863
Energy: 1.42966838557778
Energy: 2.282950336180753
Energy: 1.3680316157350558
Energy: 1.4050382060180981
Energy: 1.2999627472112287
Energy: 1.376324651522116
Energy: 1.5119175366934445
Energy: 1.2841876819922395
Energy: 1.3437625131050726
Energy: 1.343239580504703
Energy: 1.2956301193496387
Energy: 1.3453246792367268
Energy: 1.8448729818143446
Energy: 1.6352659265402483
Energy: 1.7130255470764593
Energy: 1.7255762385554319
Energy: 1.4398983983679488
Energy: 1.658327930377054
Energy: 1.4107423323469437
Energy: 1.3029532108480866
Energy: 1.5199709214334653
Energy: 1.5083826981575967
Energy: 1.7676773549668556
Energy: 1.508424805490341
Energy: 1.492888327163117
Energy: 1.3022579833267245
Energy: 1.449919181756627
Energy: 1.8464371741132661
Energy: 1.4580620768097192
Energy: 1.441362127729875
Energy: 1.5160067411431477
Energy: 1.3711581544590332
Energy: 1.7215502406516614
Energy: 1.4608949513902847
Energy: 1.4384583277044916
Energy: 2.0860313375848007
Energy: 1.7157205262449735
Energy: 1.6546115407413446
Energy: 1.5459210214096237
Energy: 1.4619538633963742
Energy: 1.9435344463805144
Energy: 1.4502599038593573
Energy: 1.5211181464361676
Energy: 1.4085440728386247
Energy: 1.6511878093383994
Energy: 2.029659523566695
Energy: 1.2407616895172258
Energy: 1.4413096912941863
Energy: 1.4109272036235343
Energy: 1.5405874502380807
Energy: 1.8509999431834692
Energy: 1.2968962086793565
Energy: 1.2963616104560256
Energy: 1.294646221100721
Energy: 1.5219233226953368

minimum gb energy = 1.2392083575116177 eV
minimum distance =  2.2420588959764 Angstroms
sigma value = 33


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

Energy: 2.544620041814401
Energy: 1.3742498861645285
Energy: 1.4199199264516864
Energy: 1.3265331042339372
Energy: 1.4260250956507894
Energy: 1.6579073063195329
Energy: 1.6632287692020808
Energy: 1.5600672595944431
Energy: 1.3865047903528291
Energy: 1.377373364208945
Energy: 1.3866540624549488
Energy: 1.5318320806228958
Energy: 1.6039999484907386
Energy: 1.4642645636900746
Energy: 1.4631441005269534
Energy: 1.3664893143818064
Energy: 1.4632840011724604
Energy: 1.5314924940012384
Energy: 1.4088240046584743
Energy: 1.4155289693626896
Energy: 1.484790096019735
Energy: 1.7658640787243765
Energy: 1.4771081092921643
Energy: 1.4164625909333584
Energy: 1.4605618414679729
Energy: 1.481772404971601
Energy: 1.5864495713006137
Energy: 1.5306206627510057
Energy: 1.6033214403980127
Energy: 1.5300239074053008
Energy: 1.3401137739839242
Energy: 1.5816302173384809
Energy: 1.6686377885104657
Energy: 1.3797031950918301
Energy: 1.566670294177248
Energy: 1.7092526922892546
Energy: 1.3354026069013236
Energy: 1.5925338740409698
Energy: 1.6452083210339092
Energy: 1.8361945417722367
Energy: 1.6244823363470786
Energy: 1.6112766452076634
Energy: 1.411835829058465
Energy: 1.6920390365500786
Energy: 1.7726899267769596
Energy: 1.3877999820026479
Energy: 1.721920374386805
Energy: 1.5454505842453325
Energy: 1.5681944697257302
Energy: 1.4746888278816745
Energy: 1.461949463814201
Energy: 1.3980289672008148
Energy: 1.4392059717004861
Energy: 1.5878560894770288
Energy: 2.167068624899184
Energy: 1.4855755556624979
Energy: 1.5446360002667532
Energy: 1.4623057166455369
Energy: 1.568728672091358
Energy: 1.564129185782017
Energy: 1.4568166180940902
Energy: 1.4371188956433136
Energy: 1.521884821350426
Energy: 1.6263173054738402
Energy: 1.5216698822629435
Energy: 1.4414380381380354
Energy: 1.3827244230258957
Energy: 1.3645472954410787
Energy: 1.3659543422206326
Energy: 2.098807608214929
Energy: 1.3690290267831238
Energy: 1.3878695203833018
Energy: 1.3153332524619115
Energy: 1.3638086576287078
Energy: 1.363909722924963
Energy: 1.3223856364157258
Energy: 1.3686253382610367
Energy: 1.3162336821707872
Energy: 1.4090210734244235
Energy: 1.3797384959479189
Energy: 1.4641466145672368
Energy: 1.7261697419707884
Energy: 1.5450312553664238
Energy: 1.3808041427594169
Energy: 1.9956342886881855
Energy: 1.5523312373454168
Energy: 1.6872556216824752
Energy: 1.5291695932501683
Energy: 1.594259761772114
Energy: 1.5788347964385245
Energy: 1.3714396052353641
Energy: 1.5473989865323625
Energy: 1.6780066795708144
Energy: 1.649581408216162
Energy: 1.531485277141267
Energy: 1.545540013275027
Energy: 1.3617499436063791
Energy: 1.8271834642203064
Energy: 1.7352015671864167
Energy: 1.596352623707532
Energy: 1.6771188839283826
Energy: 1.5003985072248156
Energy: 1.4923029369731875
Energy: 1.567885688657539
Energy: 1.571039049338232
Energy: 1.6562842371394861
Energy: 1.6287640750289272
Energy: 1.598687106217482
Energy: 1.276516158816826
Energy: 1.5489490081482031
Energy: 1.6429440651602023
Energy: 1.593587676193818
Energy: 1.5478819902056882
Energy: 1.5529420682743216
Energy: 1.340541518770049
Energy: 1.3394810169539517
Energy: 1.5277630290311779
Energy: 1.67871961048832
Energy: 1.4715777596220216
Energy: 1.3395536015341754
Energy: 1.3220351442279445
Energy: 1.3731207979712337
Energy: 1.4945933575752377
Energy: 2.1743958239340393
Energy: 1.3709733153082064
Energy: 1.3215217460782411
Energy: 1.3779556947332467
Energy: 1.3482337330015697
Energy: 1.5604159087508516
Energy: 1.5652449929921586
Energy: 1.34889129930112
Energy: 1.3839827662437516
Energy: 1.5915316425232744
Energy: 1.4633481115565472
Energy: 1.465142457713679
Energy: 1.6020759468389143
Energy: 1.4644592542008827
Energy: 1.439297651858171
Energy: 2.338425677322476
Energy: 1.515668337387006
Energy: 1.4205925281105405
Energy: 1.432073316814572
Energy: 1.537219322719256
Energy: 1.6496886619685354
Energy: 1.5313404822334435
Energy: 1.6932605887382908
Energy: 1.4813039072851917
Energy: 1.4530844411466106
Energy: 1.4161128676519645
Energy: 1.5257077045189187
Energy: 1.3889988156468733
Energy: 1.5684108169147928
Energy: 1.701139557102896
Energy: 1.4638248639929594
Energy: 1.6039805035811034
Energy: 1.6186669691313387
Energy: 1.8328863636554935
Energy: 1.620589782485513
Energy: 1.6311653822677101
Energy: 1.900877488975751
Energy: 1.6094058674689051
Energy: 1.6475608438675189
Energy: 1.3421949447151587
Energy: 1.7425424215373941
Energy: 1.618028985461251
Energy: 1.3776718750995556
Energy: 1.658622701951739
Energy: 1.882724094959989
Energy: 1.3985029300676415
Energy: 1.4390958211395797
Energy: 1.8619608257084714
Energy: 1.5722439569024724
Energy: 1.4641993630315122
Energy: 1.4463693658815968
Energy: 1.411105908833107
Energy: 1.5455760583334581
Energy: 1.6589212999055416
Energy: 2.1548679524302736
Energy: 1.6329373386365773
Energy: 1.5437378631671055
Energy: 1.6219967305432303
Energy: 1.470798192391803
Energy: 1.6860005592574165
Energy: 1.4565054022405433
Energy: 1.4685199217338147
Energy: 1.5227701864362042
Energy: 1.580790410484719
Energy: 1.364908331010587
Energy: 1.3663022218052265
Energy: 1.3749109922089804
Energy: 1.3745042488418544
Energy: 1.4734862162554807
Energy: 2.354466929925337
Energy: 1.37154875457522
Energy: 1.3961609166167803
Energy: 1.3333650952506004
Energy: 1.3725646393761852
Energy: 1.48791300327918
Energy: 1.6238259286570556
Energy: 1.4643833327590159
Energy: 1.4288392950318778
Energy: 1.3814744792141114
Energy: 1.423346261920889
Energy: 1.5907079523615089
Energy: 1.5803105106072386
Energy: 1.6128605488859105
Energy: 1.5489797256404143
Energy: 1.548687859442631
Energy: 1.5505224531031432
Energy: 1.6517539667687307
Energy: 1.6546816210033268
Energy: 1.5707536931518156
Energy: 1.547123239368556
Energy: 1.37017838892534
Energy: 1.5487143857349337
Energy: 1.6115821015589489
Energy: 1.7510665743031772
Energy: 1.9399944705291694
Energy: 1.4377835306878421
Energy: 1.3989720337662808
Energy: 1.7636395218868397
Energy: 1.5380992161593467
Energy: 1.6540626644069774
Energy: 1.5729607543871744
Energy: 1.553961331699266
Energy: 1.463873772204321
Energy: 1.5609180214367924
Energy: 1.6068398920890026
Energy: 1.4812194669127692
Energy: 1.633833811075871
Energy: 1.5565667794705076
Energy: 2.0117268502088144
Energy: 1.555290571993947
Energy: 1.7300365370816941
Energy: 1.6784916654643118
Energy: 1.4713384018287943
Energy: 1.3935203085963688
Energy: 1.3936701602970403
Energy: 1.3392440444646283
Energy: 1.5318234091860838
Energy: 1.56425638683714
Energy: 1.374733361536365
Energy: 1.4153676890902867
Energy: 1.3248179931876745
Energy: 1.3915549415297828
Energy: 1.5445776156478113

minimum gb energy = 1.276516158816826 eV
minimum distance =  2.24951133002199 Angstroms
sigma value = 51


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

Energy: 2.376357502379535
Energy: 1.6365102617327831
Energy: 1.5033097952765855
Energy: 1.477242791530943
Energy: 1.535123442657599
Energy: 1.7219551384463063
Energy: 1.6461245532925068
Energy: 1.8328921602339399
Energy: 1.5518635500111952
Energy: 1.5313990824253556
Energy: 1.5525443385785875
Energy: 1.8262244991331704
Energy: 1.5658182276887451
Energy: 1.438996874683203
Energy: 1.8808673497067114
Energy: 1.560308845924521
Energy: 1.4540854506079917
Energy: 1.4400858948506896
Energy: 1.4400048363863183
Energy: 1.4917954463356136
Energy: 1.474522457075243
Energy: 1.9654182238622737
Energy: 1.4743937886652565
Energy: 1.4524860931043366
Energy: 1.5128317167472858
Energy: 1.495018782916511
Energy: 1.6855107935351705
Energy: 1.6495865330847108
Energy: 1.6729371980493732
Energy: 1.4953995354570622
Energy: 1.7592235710048252
Energy: 1.599465099344284
Energy: 1.6120107773208643
Energy: 1.508314268285079
Energy: 1.6750919747993076
Energy: 1.9019583602612735
Energy: 1.7621271535724385
Energy: 1.6023280092449192
Energy: 1.732479219179795
Energy: 1.5842380728248033
Energy: 1.6645954922815598
Energy: 1.9017695251549338
Energy: 1.8073264367285062
Energy: 1.6102549175346064
Energy: 1.6203017511175395
Energy: 1.6743607261918518
Energy: 1.7315153999482178
Energy: 1.665895124251187
Energy: 1.4788965894567239
Energy: 1.4537040723177979
Energy: 1.44982639635812
Energy: 1.4134575575028085
Energy: 1.4503584171587807
Energy: 2.048362670960559
Energy: 2.34370899355485
Energy: 1.514659165202499
Energy: 1.488310434994872
Energy: 1.5081622576923708
Energy: 1.442194923715879
Energy: 1.5981432636413722
Energy: 1.5514512247536982
Energy: 1.4457893034233722
Energy: 1.553060742465518
Energy: 1.6457495968633298
Energy: 1.5536508726526126
Energy: 1.4455858100124357
Energy: 1.5452242910783947
Energy: 1.4397578124919574
Energy: 1.4748902458986222
Energy: 1.8706905240506684
Energy: 1.4751085648763402
Energy: 1.4410929333278109
Energy: 1.4102254559711083
Energy: 1.4388168550099
Energy: 1.453876250838131
Energy: 1.5340737807790243
Energy: 1.4749137407590962
Energy: 1.4399374963447884
Energy: 1.5653886228151594
Energy: 1.495067194259787
Energy: 1.685447154923161
Energy: 1.6479749898798446
Energy: 1.6848757820705458
Energy: 1.4953570662707394
Energy: 1.9666532115722386
Energy: 1.6575682882639717
Energy: 1.6732897907886253
Energy: 1.6802611899320792
Energy: 1.6367322811153557
Energy: 1.66039725402145
Energy: 1.7601384559966613
Energy: 1.5990569435381896
Energy: 1.7374372932134927
Energy: 1.6196360823210247
Energy: 1.6180795575472129
Energy: 1.8199442033271853
Energy: 1.7919132977723087
Energy: 1.8363844556093158
Energy: 1.6103106416507682
Energy: 1.6071985256755599
Energy: 1.7472596585495672
Energy: 1.6605138573035607
Energy: 1.4800721074075145
Energy: 1.4553442292682386
Energy: 1.4778503857302183
Energy: 1.4137833519830045
Energy: 1.514563306710338
Energy: 2.0509200809343104

minimum gb energy = 1.4102254559711083 eV
minimum distance =  2.22406987057351 Angstroms
sigma value = 19


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

Energy: 2.182149993226152
Energy: 1.4970407611973529
Energy: 1.5198205894821246
Energy: 1.4991924150663183
Energy: 1.5167227167387265
Energy: 1.5682067616188946
Energy: 1.6434869414683868
Energy: 1.9944339151997514
Energy: 1.4638537673141998
Energy: 1.505333593691019
Energy: 1.5175068534807343
Energy: 1.652772385849404
Energy: 1.664251834965201
Energy: 1.6331612336656514
Energy: 1.8319941818858705
Energy: 1.597293069353994
Energy: 1.6341413563279055
Energy: 1.6983899640191478
Energy: 1.622367378561406
Energy: 1.6752867828933211
Energy: 1.6438073949232226
Energy: 1.967655346148651
Energy: 1.7021874320276305
Energy: 1.6631476342307334
Energy: 1.69613390535653
Energy: 1.6670659680001612
Energy: 1.6235721931842213
Energy: 1.432704534329583
Energy: 1.8361956143552414
Energy: 1.7281409814641668
Energy: 1.60374696780998
Energy: 1.7064518929301578
Energy: 1.7047918758910323
Energy: 1.5033873782614955
Energy: 1.6503705733388927
Energy: 1.731169762858479
Energy: 1.6984247787897129
Energy: 1.641774725456183
Energy: 1.8553481413400714
Energy: 2.188133651845172
Energy: 1.7252489843120762
Energy: 1.684279991282308
Energy: 1.762659968160658
Energy: 1.7124183537846187
Energy: 1.4781981098628159
Energy: 1.5037486920008616
Energy: 1.9792871904213842
Energy: 1.7232861341869248
Energy: 1.664492097632103
Energy: 1.4732910579098595
Energy: 1.474451055798142
Energy: 1.4614881779749656
Energy: 1.4724792670540434
Energy: 1.6766820860715632
Energy: 1.515672714687337
Energy: 1.5120964632125133
Energy: 1.5190589803273997
Energy: 1.4773652036875318
Energy: 1.5251873172414243
Energy: 1.7352628811425723
Energy: 1.6547362814700235
Energy: 1.6837952986524798
Energy: 1.5349861987308369
Energy: 1.4766975209318978
Energy: 1.550004854215088
Energy: 1.8003957799970816
Energy: 1.608979820253836
Energy: 1.8758738750265773
Energy: 1.796207071877042
Energy: 1.6488589761133507
Energy: 1.8283941064890477
Energy: 1.7187764961295644
Energy: 1.7100377131368278
Energy: 1.7331225247025477
Energy: 1.777580436298496
Energy: 1.7284411162098106
Energy: 1.77749815798889
Energy: 1.8593659384366383
Energy: 1.5772716790506696
Energy: 1.830029631444871
Energy: 1.6466527174924712
Energy: 1.6871652363945588
Energy: 1.6413088772716793
Energy: 1.5716780193406792
Energy: 1.4017132262661167
Energy: 1.4024370544152072
Energy: 1.8324274995891559
Energy: 1.538376933928023
Energy: 1.4651391591646836
Energy: 1.401454462618335
Energy: 1.5038846124381808
Energy: 1.5016688485014842
Energy: 1.5986644612470524
Energy: 2.150325452368239
Energy: 1.5265663298855203
Energy: 1.4972812212237065
Energy: 1.5340410636299306
Energy: 1.5167259235037818
Energy: 1.6446519083111617
Energy: 1.677579643574728
Energy: 1.6416134945210026
Energy: 1.5167764450809305
Energy: 1.942821177623716
Energy: 1.643351685604948
Energy: 1.686233250792123
Energy: 1.7037796759190365
Energy: 1.6491769013688875
Energy: 1.6329713277419267
Energy: 1.6510934786770401
Energy: 1.644212287541716
Energy: 1.6702459828660443
Energy: 1.6025582693682696
Energy: 1.704773188118839
Energy: 1.8364715759213492
Energy: 1.5020853042878135
Energy: 1.623239419464647
Energy: 1.7302150071835192
Energy: 1.6683283562972813
Energy: 1.864677097068148
Energy: 1.619823504682903
Energy: 1.5371735969226676
Energy: 1.6328877573970193
Energy: 1.6548287264439194
Energy: 1.5999416286857944
Energy: 1.6509168993711418
Energy: 1.837765596867336
Energy: 1.4810891896200635
Energy: 1.7509103490050641
Energy: 1.6884183436271034
Energy: 1.7563351519036867
Energy: 1.692305130838705
Energy: 1.8647934157004855
Energy: 1.5029955124581043
Energy: 1.5184158354252104
Energy: 1.6957130987881845
Energy: 1.651430548664956
Energy: 1.6407255016951345
Energy: 1.552388582662895
Energy: 1.5124878331658946
Energy: 1.5312281790132651
Energy: 1.7480504545713897
Energy: 1.682899144655065
Energy: 1.5121427730790467
Energy: 1.5191124431749095
Energy: 1.4152855455795421
Energy: 1.4779255195868524
Energy: 1.4731582238778829
Energy: 1.6541223105867386
Energy: 1.4728959044432899
Energy: 1.4269076620540546
Energy: 1.5864679842984284
Energy: 1.8660450537827644
Energy: 1.7234068346548062
Energy: 1.738539813462856
Energy: 1.6415006757986232
Energy: 1.6004105311195467
Energy: 1.9523739507739137
Energy: 1.8259769095725589
Energy: 1.8632189635513525
Energy: 1.7428822311920822
Energy: 1.6938844079850945
Energy: 1.7981101152474515
Energy: 1.6609556661995262
Energy: 1.6980264380019714
Energy: 1.7476535646119862
Energy: 1.7364702209003093
Energy: 1.757122995713919
Energy: 1.8979795900081304
Energy: 1.5692464227858725
Energy: 1.6448672321597226
Energy: 1.5206354612667654
Energy: 1.5198824682663434
Energy: 1.829271666483169
Energy: 1.687332423417947
Energy: 2.1875318472398946
Energy: 1.4790188442430818
Energy: 1.4311899341042165
Energy: 1.4268838030575297
Energy: 1.4271225234864577
Energy: 1.5845513359213046

minimum gb energy = 1.401454462618335 eV
minimum distance =  2.2152602937024 Angstroms
sigma value = 27


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

Energy: 1.7739777602731241
Energy: 1.6462402201156714
Energy: 1.6360994517320944
Energy: 1.628891998485919
Energy: 1.5897185729475576
Energy: 1.7481912997355598
Energy: 1.2996214982194385
Energy: 1.508375587572028
Energy: 1.5256281432955179
Energy: 1.3099566608840902
Energy: 1.5267534985971374
Energy: 1.5088349996961123
Energy: 1.3388801864361208
Energy: 1.4932715856044005
Energy: 1.5159475217436504
Energy: 1.29677574754085
Energy: 1.4992117759340473
Energy: 1.543224526566904
Energy: 1.4533009192903388
Energy: 1.5208225310877712
Energy: 1.520916480658552
Energy: 1.5154634270425813
Energy: 1.5215745133057037
Energy: 1.5206691595343238
Energy: 1.3142164253082946
Energy: 1.507946302690121
Energy: 1.6344996989550216
Energy: 1.3405804820844653
Energy: 1.6349211553554024
Energy: 1.5636783266934162
Energy: 1.5405359382028352
Energy: 1.5812960810931134
Energy: 1.7245601460855182
Energy: 1.3001991332956584
Energy: 1.6271608510099298
Energy: 1.5806330698401048
Energy: 1.3164497787005591
Energy: 1.5902043432499733
Energy: 1.856618890311753
Energy: 1.7743857499750655
Energy: 1.5232754107828146
Energy: 1.6298731761175562
Energy: 1.3089201895721354
Energy: 1.5253667909156419
Energy: 1.5085195165641705
Energy: 1.2997078911768405
Energy: 1.7175738504930935
Energy: 1.3104565226968021
Energy: 1.2937045563616698
Energy: 1.51602514656966
Energy: 1.4940422765510852
Energy: 1.3398074772513082
Energy: 1.4941414810814673
Energy: 1.5147798529468162
Energy: 1.8579609754666957
Energy: 1.5208780253897567
Energy: 1.521076414799594
Energy: 1.5795977279151487
Energy: 1.520720775175621
Energy: 1.5272287379238538
Energy: 1.3398300587414986
Energy: 1.6348552912609813
Energy: 1.5080729718652723
Energy: 1.315164328720006
Energy: 1.5079154296425303
Energy: 1.6439977951057174
Energy: 1.3004147765784193
Energy: 1.6278936432823432
Energy: 1.5810956515333696
Energy: 1.5415459741050561
Energy: 1.526651526849945
Energy: 1.7398680460307352

minimum gb energy = 1.2937045563616698 eV
minimum distance =  2.23243038041994 Angstroms
sigma value = 9


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

Energy: 2.424317562272043
Energy: 1.490342442315286
Energy: 1.4867356456588734
Energy: 1.4604568219023204
Energy: 1.4878649412915101
Energy: 1.9093310110365462
Energy: 1.5224211324496308
Energy: 1.8386243573355263
Energy: 1.434297555204529
Energy: 1.4444854052843554
Energy: 1.426217362230893
Energy: 1.9268437483070688
Energy: 1.626039601936693
Energy: 1.7791362461047504
Energy: 1.823795432783635
Energy: 1.4469423639308796
Energy: 1.824726251641611
Energy: 1.8006238387572966
Energy: 1.7036750194568926
Energy: 1.77828804992567
Energy: 1.8082523866162112
Energy: 1.9078360673070391
Energy: 1.7679326285227457
Energy: 1.8192310654038257
Energy: 1.6712122989111473
Energy: 1.8097023224728301
Energy: 1.757840994628341
Energy: 1.6369020283628586
Energy: 1.7783067341977854
Energy: 1.8003322536515898
Energy: 1.4319436574678786
Energy: 1.4293536790889396
Energy: 1.8273319749539438
Energy: 1.6386324433383654
Energy: 1.7442044631337494
Energy: 1.4336046504249906
Energy: 1.471174694345077
Energy: 1.4858706815251372
Energy: 1.7088671765437828
Energy: 2.3712052056967465
Energy: 1.4906730111371975
Energy: 1.4855954545116317
Energy: 1.3295058969962057
Energy: 1.4319511199362254
Energy: 1.8214776400771884
Energy: 1.6386333647698879
Energy: 1.756218371490638
Energy: 1.3333759435093622
Energy: 1.6326210900796434
Energy: 1.715433245307021
Energy: 1.8861122220639501
Energy: 1.6242313957733703
Energy: 1.7294977563718368
Energy: 1.6819685019379371
Energy: 1.6298528071236573
Energy: 1.7078816022756156
Energy: 1.835973124994791
Energy: 2.0652158883474345
Energy: 1.7230845576547433
Energy: 1.7199057464642324
Energy: 1.4460550766408935
Energy: 1.7222667099139084
Energy: 1.7964679500109613
Energy: 1.5850772551847072
Energy: 1.8274872642347784
Energy: 1.503911443491152
Energy: 1.44751029088281
Energy: 1.8865689844148368
Energy: 1.6208981489101564
Energy: 1.5081384037513523
Energy: 1.6125471766908523
Energy: 1.7679938258500585
Energy: 2.3768690984304075
Energy: 1.6056583275894165
Energy: 1.6094347317423634
Energy: 1.503303746241867
Energy: 1.601645891440822
Energy: 1.9582459556669625
Energy: 1.4489273189936698
Energy: 1.7511184948645002
Energy: 1.5132428614068314
Energy: 1.4270008823398257
Energy: 1.6130140357240428
Energy: 1.8640531882589104
Energy: 1.4320998069432054
Energy: 1.8337798904543343
Energy: 1.5822906494609614
Energy: 1.4322765360596426
Energy: 1.574175470522123
Energy: 1.9645788556106525
Energy: 2.1175570352003907
Energy: 1.6847435276447194
Energy: 1.5802445193617043
Energy: 1.4750886001278685
Energy: 1.626794575272557
Energy: 1.8062955708700172
Energy: 1.4458299872163858
Energy: 1.649502745467004
Energy: 1.6368640824204237
Energy: 1.526464929268372
Energy: 1.614524767838767
Energy: 1.8198095784893957
Energy: 1.4277813238918395
Energy: 1.7337546270173834
Energy: 1.8386461646198515
Energy: 1.5127063990397864
Energy: 1.8590475841532967
Energy: 1.4309543109115128
Energy: 1.4992921184950896
Energy: 1.7072094947463636
Energy: 1.8561799595320903
Energy: 1.9282574603009985
Energy: 1.7958849644451547
Energy: 1.723994739804548
Energy: 1.5995269365899565
Energy: 1.7110433445041517
Energy: 1.8300815871749896
Energy: 1.511158829444329
Energy: 1.7283712557851412
Energy: 1.6728637260639532
Energy: 1.3449624561657822
Energy: 1.3338105173040207
Energy: 1.775305072703627
Energy: 1.5164698152191183
Energy: 1.7822812316394963
Energy: 1.3338291934151798
Energy: 1.3978913405055002
Energy: 1.4923208993211858
Energy: 1.5468941990950846
Energy: 2.016653269098781
Energy: 1.4235306153264518
Energy: 1.4673339951513202
Energy: 1.4452881110584987
Energy: 1.4260364567393615
Energy: 1.5990550063082847
Energy: 1.4558103136866611
Energy: 1.422455646336445
Energy: 1.449365242617372
Energy: 1.4422681631694212
Energy: 1.767724004942427
Energy: 1.793311239444025
Energy: 1.5151367110073781
Energy: 1.7999154911503195
Energy: 1.6177476703142515
Energy: 1.9305472662891223
Energy: 1.8105212543909153
Energy: 1.8113746592486224
Energy: 1.579764352958156
Energy: 1.8145833870502224
Energy: 1.8585740633355785
Energy: 1.646012303230041
Energy: 1.7611888716343451
Energy: 1.8162232100209648
Energy: 1.686928446050394
Energy: 1.755517718094965
Energy: 1.8218476252012696
Energy: 1.6274639727792728
Energy: 1.8575094671463503
Energy: 1.4376390262705097
Energy: 1.4468817844459623
Energy: 1.4208372975559151
Energy: 1.675975509789298
Energy: 1.9626089304066259
Energy: 1.4786127592283653
Energy: 1.497085540580488
Energy: 1.4712600982941253
Energy: 1.4843007258820313
Energy: 1.6802035547230265
Energy: 1.5860070117309855
Energy: 1.4274117736384082
Energy: 1.4222609899416292
Energy: 1.3719353606029612
Energy: 1.4243632183825825
Energy: 1.6807469268940523
Energy: 1.6258862627611355
Energy: 1.8816356717749354
Energy: 1.6655835377856358
Energy: 1.3851993388078592
Energy: 1.6613676299432647
Energy: 1.899267678097866
Energy: 1.6820203265418638
Energy: 1.7758358121744893
Energy: 1.7047665950475182
Energy: 1.5941682080595936
Energy: 1.7020896221296336
Energy: 1.7734552180577474
Energy: 2.125368679757076
Energy: 1.8237983895798566
Energy: 1.7262253966157382
Energy: 1.499511343026378
Energy: 1.7177929006193977
Energy: 1.8608106210153759
Energy: 1.5043095472259007
Energy: 1.590357827393091
Energy: 1.7686623684477263
Energy: 1.4456509662998884
Energy: 1.7603522293077418
Energy: 1.6835103925801818
Energy: 1.5163836570383917
Energy: 1.618617630139479
Energy: 1.6857974305216294
Energy: 1.769721432945579
Energy: 1.620975789287545
Energy: 1.6067321586406342
Energy: 1.4189204235662773
Energy: 1.6092632343217965
Energy: 1.651993392625773
Energy: 1.6888481967423057
Energy: 1.6189338952932633
Energy: 1.4949539644524379
Energy: 1.457138297637322
Energy: 1.6685319008103054
Energy: 1.9260062208433073
Energy: 1.429496084394563
Energy: 1.8678051756279492
Energy: 1.533232428590909
Energy: 1.4252609191828411
Energy: 1.6085767359926864
Energy: 1.7879261634294592
Energy: 1.4811425210367473
Energy: 1.6496308300944995
Energy: 1.4702098634431804
Energy: 1.6220710371234437
Energy: 1.6221338407600896
Energy: 1.8241318986290593
Energy: 2.1110248089147357
Energy: 1.6277684849380354
Energy: 1.6225484088720752
Energy: 1.4978119824827247
Energy: 1.7273794931849171
Energy: 1.805143903756062
Energy: 1.430572770612657
Energy: 1.8300420264898845
Energy: 1.4872308927466664
Energy: 1.9114874495890206
Energy: 1.8519627244457404
Energy: 1.7142381140833953
Energy: 1.480766621370723
Energy: 1.7077533174621176
Energy: 1.845831620687514
Energy: 1.7691059988720148
Energy: 1.7791892618298555
Energy: 1.682911487308501
Energy: 1.5941954968316348
Energy: 1.71386417464996
Energy: 1.8083317515856137
Energy: 1.5095009982101537
Energy: 1.8566513371753486
Energy: 1.5377392498111315
Energy: 1.3849344717557786
Energy: 1.7404548736247587
Energy: 1.915523716216471
Energy: 1.4398677028341318
Energy: 1.4261298491423093
Energy: 1.327068433745476
Energy: 1.3242800484950468
Energy: 1.4223542324660723
Energy: 1.832421014607953

minimum gb energy = 1.3242800484950468 eV
minimum distance =  2.20524656304564 Angstroms
sigma value = 57


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

Energy: 2.4165617447303345
Energy: 1.6350276790857772
Energy: 1.4858345231177275
Energy: 1.428891638417923
Energy: 1.4859247492960588
Energy: 1.8838603800616494
Energy: 1.7116541251736261
Energy: 1.7729414307276024
Energy: 1.3994635081301683
Energy: 1.5034826215432504
Energy: 1.3975561993104557
Energy: 1.6594342414280716
Energy: 1.3827355689739875
Energy: 1.7746445856876054
Energy: 1.7101959910178244
Energy: 1.4104663427458746
Energy: 1.7414002401271487
Energy: 1.6439534109283058
Energy: 1.3928788414923572
Energy: 1.6603178247102273
Energy: 1.6915532793487589
Energy: 1.5116373414910813
Energy: 1.7449365721091523
Energy: 1.1596661905826877
Energy: 1.4232704455675325
Energy: 1.657534423184294
Energy: 1.7036034651472998
Energy: 1.4870846325682805
Energy: 1.6982862842558781
Energy: 1.4480792668595794
Energy: 1.1661379867526314
Energy: 1.4442892510912
Energy: 1.68128410781431
Energy: 1.4863952735024881
Energy: 1.4785255057014235
Energy: 1.455864766718579
Energy: 1.3075367130805329
Energy: 1.464574383266344
Energy: 1.465192288595444
Energy: 1.8928381934766378
Energy: 1.4644975435340242
Energy: 1.476777101581459
Energy: 1.2824427136007501
Energy: 1.4448626555526332
Energy: 1.6494179453599123
Energy: 1.8272899744591355
Energy: 1.4365025201356867
Energy: 1.4442672202816813
Energy: 1.3017453306382498
Energy: 1.4065591522954382
Energy: 1.631830718277708
Energy: 1.760759330945305
Energy: 1.6359698967574627
Energy: 1.206515588188991
Energy: 1.3924251091044573
Energy: 1.3626407782547316
Energy: 1.7917815466107707
Energy: 1.687120980028261
Energy: 1.4559077278741037
Energy: 1.4437825352085865
Energy: 1.3817726411334648
Energy: 1.3986899385990954
Energy: 1.4375161127161122
Energy: 1.8309987365033298
Energy: 1.4460211658388065
Energy: 1.3944591314843702
Energy: 1.4871173924142342
Energy: 1.476792974181715
Energy: 1.8792755244638522
Energy: 1.7364341599342046
Energy: 1.7477138764072675
Energy: 1.395920242332786
Energy: 1.915268952044858
Energy: 1.8027292039775586
Energy: 1.7115468952857447
Energy: 1.7824628956784978
Energy: 1.678090525187556
Energy: 1.754421353854919
Energy: 1.4873925720717418
Energy: 1.6726511032292626
Energy: 1.6426000554861735
Energy: 1.3916730931399184
Energy: 1.6345121051403175
Energy: 1.6833833624992205
Energy: 1.4823839386174682
Energy: 1.6782797942156293
Energy: 1.4160928237866512
Energy: 1.1669549502941123
Energy: 1.4372315926550907
Energy: 1.6900179442959955
Energy: 1.860364358856041
Energy: 1.4373562829401643
Energy: 1.476991517298137
Energy: 1.2383104279249724
Energy: 1.5316250736072587
Energy: 1.664835630226651
Energy: 1.6416642094930596
Energy: 1.4370427760630482
Energy: 1.4437910339506559
Energy: 1.2824149585794498
Energy: 1.4442747428481988
Energy: 1.6468011415760642
Energy: 1.5809580050727166
Energy: 1.636087346312201
Energy: 1.2053900033750982
Energy: 1.2026626125572613
Energy: 1.4172150713116671
Energy: 1.7356935829804276
Energy: 1.7922291296040243
Energy: 1.4375427529585365
Energy: 1.3607960616012853
Energy: 1.2807350319892343
Energy: 1.452171306243229
Energy: 1.7922760611537987

minimum gb energy = 1.1596661905826877 eV
minimum distance =  2.20658417922217 Angstroms
sigma value = 11


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

Energy: 1.9196265674115915
Energy: 1.3937980135550392
Energy: 1.3544589761276353
Energy: 1.2795146505303527
Energy: 1.45028004031382
Energy: 1.6654105907211265
Energy: 1.8483555712052386
Energy: 1.6789730732597896
Energy: 1.3967013714064969
Energy: 1.324618195137137
Energy: 1.3955817261914536
Energy: 1.7077887178876556
Energy: 1.7780338247840752
Energy: 1.7328674519948208
Energy: 1.5552069030949407
Energy: 1.3272378953418345
Energy: 1.6010539357662794
Energy: 1.7107984119296362
Energy: 1.8825100718707786
Energy: 1.6239770316558138
Energy: 1.565524641483876
Energy: 1.4582821859322685
Energy: 1.612964713461239
Energy: 1.650841420296415
Energy: 1.7268546234447955
Energy: 1.6660460207764416
Energy: 1.6231204210472052
Energy: 1.5824998180800343
Energy: 1.634076106808771
Energy: 1.6600400131748654
Energy: 1.7771802709113813
Energy: 1.659223244818014
Energy: 1.729258163875888
Energy: 1.623295836816967
Energy: 1.748523692633255
Energy: 1.6587740076154456
Energy: 1.4796505789721703
Energy: 1.630500555232197
Energy: 1.631489013140926
Energy: 1.5777932538338657
Energy: 1.6223617287746315
Energy: 1.551433560706814
Energy: 1.2323879280242505
Energy: 1.5328645854785155
Energy: 1.6007638991011637
Energy: 1.6173017151658766
Energy: 1.573396449213922
Energy: 1.468711246097534
Energy: 1.3327919924545373
Energy: 1.3949120031659425
Energy: 1.574022999842436
Energy: 1.7230197457966228
Energy: 1.4215508856785102
Energy: 1.394650697521824
Energy: 1.1772041224796232
Energy: 1.4060410648652255
Energy: 1.4575438071421105
Energy: 1.9081925599864509
Energy: 1.3834354683647014
Energy: 1.3703777760446822
Energy: 1.1731344338852938
Energy: 1.3248358299741108
Energy: 1.4380048628879576
Energy: 1.9776620272413765
Energy: 1.316795436265186
Energy: 1.2851577463039023
Energy: 1.1268498086451442
Energy: 1.294652857035638
Energy: 1.6406419767980265
Energy: 1.7894828644510008
Energy: 1.5286336049604463
Energy: 1.1285468159753105
Energy: 1.1688230715476369
Energy: 1.2021685102210873
Energy: 1.5652836715576393
Energy: 1.7439223559100088
Energy: 1.322497987451936
Energy: 1.171953846621685
Energy: 1.2790712725882014
Energy: 1.4503436572513855
Energy: 1.6350067533482817
Energy: 1.887516420946352
Energy: 1.4387477082133813
Energy: 1.3507187826060303
Energy: 1.3260002966790814
Energy: 1.3958910444319137
Energy: 1.697609709306536
Energy: 1.7913708990175572
Energy: 1.4474088472117315
Energy: 1.396180883001229
Energy: 1.5641373338517088
Energy: 1.6213633301321622
Energy: 1.730623619187203
Energy: 1.7214286372189158
Energy: 1.5375592451170719
Energy: 1.590293450056228
Energy: 1.6501349941493393
Energy: 1.569740333545958
Energy: 1.66073404817443
Energy: 1.8896423653127916
Energy: 1.6491766394457503
Energy: 1.631714716332999
Energy: 1.548313640531645
Energy: 1.7218396502092472
Energy: 1.6660934711670126
Energy: 1.675000834349265
Energy: 1.6678804230771853
Energy: 1.7226825987974521
Energy: 1.8157681481474182
Energy: 1.6757251937233917
Energy: 1.6586312506017855
Energy: 1.595444101701387
Energy: 1.6608549954479932
Energy: 1.7575847397626645
Energy: 1.5599335831379018
Energy: 1.6313304269517297
Energy: 1.4918842392674712
Energy: 1.5854142762175933
Energy: 1.6201176570562699
Energy: 1.6074373737185406
Energy: 1.5460192248309585
Energy: 1.5666217291582807
Energy: 1.4976655848808174
Energy: 1.2365169193835965
Energy: 1.5355828996536005
Energy: 1.5720976858202815
Energy: 2.117658791811668
Energy: 1.4037774271320684
Energy: 1.3205278797489277
Energy: 1.3406760382265248
Energy: 1.3167380263971007
Energy: 1.5512107060211089
Energy: 2.0023116805367116
Energy: 1.4385419489953613
Energy: 1.3500916881587481
Energy: 1.3528968092043423
Energy: 1.3936398113982367
Energy: 1.6985746023705501
Energy: 2.0070327740470506
Energy: 1.361803544776065
Energy: 1.316546392674171
Energy: 1.169725452157399
Energy: 1.3156591503335195
Energy: 1.4889952607353032
Energy: 2.051690967381761
Energy: 1.565041205306793
Energy: 1.1300522105388962
Energy: 1.1274001064350418
Energy: 1.4530067261159438
Energy: 1.5959481575784176
Energy: 2.1352502695783215
Energy: 1.3613567103140432
Energy: 1.2022251720095574
Energy: 1.174014665897845
Energy: 1.2875690123929746
Energy: 1.6954953931127312

minimum gb energy = 1.1268498086451442 eV
minimum distance =  2.23139515536303 Angstroms
sigma value = 41


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

Energy: 2.2075768426956044
Energy: 1.3035227160750114
Energy: 1.2545940867408074
Energy: 1.1762439930553805
Energy: 1.2554719596514534
Energy: 1.583873881938625
Energy: 2.2305960346762155
Energy: 1.4145949601803758
Energy: 1.264733453369724
Energy: 1.2044579832382587
Energy: 1.265280099673085
Energy: 1.460235995294646
Energy: 1.9869271206328551
Energy: 1.4887596406701045
Energy: 1.4010655824797775
Energy: 1.3849221731950883
Energy: 1.42471554343968
Energy: 1.4907928735068703
Energy: 1.7832705499514134
Energy: 1.4470039241664259
Energy: 1.3882868079136241
Energy: 1.385587376029651
Energy: 1.4119052757828343
Energy: 1.5057395823435757
Energy: 1.7862001562770369
Energy: 1.4854089566981752
Energy: 1.4546882843082198
Energy: 1.540818445364425
Energy: 1.5754825912189505
Energy: 1.5146746352340017
Energy: 1.8090385511849172
Energy: 1.547795807049773
Energy: 1.5448781973922747
Energy: 1.4952221577408118
Energy: 1.5150249596233651
Energy: 1.5474394314739475
Energy: 1.786492954031433
Energy: 1.4534536635477213
Energy: 1.5038086699124813
Energy: 1.5756211309483772
Energy: 1.4969269659985642
Energy: 1.5428264344810416
Energy: 1.621006247348403
Energy: 1.5613177176738378
Energy: 1.4823773940661586
Energy: 1.5433126395986474
Energy: 1.4825570259095877
Energy: 1.494086238489617
Energy: 1.5930095727350775
Energy: 1.5204020069003557
Energy: 1.4745129154289978
Energy: 1.4685485436505001
Energy: 1.549904521465462
Energy: 1.501562493602495
Energy: 1.3499435683708947
Energy: 1.5002378415755742
Energy: 1.4624155394783354
Energy: 1.5730108012053656
Energy: 1.4617234776399164
Energy: 1.4671772614371343
Energy: 1.3762084976943694
Energy: 1.4353367292848282
Energy: 1.4596123985983218
Energy: 1.5733584510114387
Energy: 1.4235947589795088
Energy: 1.345029025955947
Energy: 1.283491604495071
Energy: 1.282771398097
Energy: 1.4251137078461444
Energy: 1.4685556365166053
Energy: 1.3879774777576752
Energy: 1.286691262757399
Energy: 1.2039444381949576
Energy: 1.2649494426894257
Energy: 1.2846030001943025
Energy: 1.557977487107576
Energy: 1.2831470877415148
Energy: 1.2363550743604768
Energy: 1.1772263527462754
Energy: 1.2678472161834344
Energy: 1.5042664247534452
Energy: 1.4973463909419382
Energy: 1.2514765514331188
Energy: 1.2538726466267784
Energy: 1.0789634390657241
Energy: 1.204807106821468
Energy: 1.282918375690018
Energy: 1.4913419212214574
Energy: 1.2051879412683904
Energy: 1.0973397854462692
Energy: 1.07911620176438
Energy: 1.204449649263954
Energy: 1.4385136180170277
Energy: 1.491075512588236
Energy: 1.3895317624981665
Energy: 1.0788247236534716
Energy: 1.2180119075921432
Energy: 1.1156079515499222
Energy: 1.448989880484275
Energy: 1.776180823089856
Energy: 1.3482743636787642
Energy: 1.1096145124503918
Energy: 1.2024936416014906
Energy: 1.264318993424256
Energy: 1.2832085738593393
Energy: 1.4784686404140606
Energy: 1.2484175379672833
Energy: 1.2646130722300273
Energy: 1.2055552685751167
Energy: 1.4405459195138732
Energy: 1.4441409402719887
Energy: 1.5053413349960822
Energy: 1.4166723105986212
Energy: 1.3000613320080103
Energy: 1.3741952330037908
Energy: 1.4136787879738422
Energy: 1.424587024552079
Energy: 1.5038058950570927
Energy: 1.4827787877538172
Energy: 1.3924520796855022
Energy: 1.497641643297377
Energy: 1.463208717460127
Energy: 1.5843752492091268
Energy: 1.5111846959439577
Energy: 1.494286682928461
Energy: 1.467198339532182
Energy: 1.579237649923922
Energy: 1.560485150973779
Energy: 1.498727882734778
Energy: 1.4772736275775387
Energy: 1.569212905348711
Energy: 1.5488773475838913
Energy: 1.5820646921764379
Energy: 1.505610702443583
Energy: 1.542887817715299
Energy: 1.5566884682088113
Energy: 1.51303470133558
Energy: 1.5379662237990648
Energy: 1.788878009576501
Energy: 1.482511710273187
Energy: 1.5057567796879117
Energy: 1.6214048232526241
Energy: 1.4793907227692378
Energy: 1.4847623931322398
Energy: 1.9977206002622956
Energy: 1.4597267436828174
Energy: 1.5297665482361267
Energy: 1.4656183553417268
Energy: 1.548772360431854
Energy: 1.4604519351124157
Energy: 1.5728899844438153
Energy: 1.4868410642338397
Energy: 1.4968238165619756
Energy: 1.496192910732586
Energy: 1.468847360445302
Energy: 1.5555471328939665
Energy: 1.5732228989695338
Energy: 1.4623001917495966
Energy: 1.3421611727903906
Energy: 1.423478629980612
Energy: 1.4608347630781742
Energy: 1.4104470097893838
Energy: 2.045242119792734
Energy: 1.4241665045594427
Energy: 1.3527492763847764
Energy: 1.3722715817704703
Energy: 1.388909148346651
Energy: 1.493093091111383
Energy: 2.234646733376406
Energy: 1.284220264783755
Energy: 1.2645709482124994
Energy: 1.2149958647895387
Energy: 1.2650529840255302
Energy: 1.2904447243799906
Energy: 2.0086540811182307
Energy: 1.3030883412618919
Energy: 1.2540199666531937
Energy: 1.258257423882125
Energy: 1.2555238040345829
Energy: 1.5389204120661395
Energy: 2.242532524897322
Energy: 1.2039696021208859
Energy: 1.2036118831481677
Energy: 1.0778746769429821
Energy: 1.2047068071149964
Energy: 1.283039980211309
Energy: 2.2298685349675686
Energy: 1.4328525927936029
Energy: 1.0475202569250792
Energy: 1.0807460911426474
Energy: 1.1695593985415242
Energy: 1.4654669483951468
Energy: 1.7762295391968623
Energy: 1.2784838486274248
Energy: 1.0982640790106302
Energy: 1.0802406468557701
Energy: 1.1788600014374213
Energy: 1.4601823569457697

minimum gb energy = 1.0475202569250792 eV
minimum distance =  2.20437578281033 Angstroms
sigma value = 33


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

Energy: 2.211963898000744
Energy: 1.1365163703485552
Energy: 1.136097362325934
Energy: 1.1438154973646926
Energy: 1.1439113740442455
Energy: 1.3655259286858774
Energy: 2.3110199750761757
Energy: 1.1667798526472266
Energy: 1.1209782686284793
Energy: 1.0865167070364345
Energy: 1.14991720450154
Energy: 1.249127343981867
Energy: 2.2311023016906355
Energy: 1.234538125426321
Energy: 1.1248882668204434
Energy: 1.160868425295059
Energy: 1.160219162394863
Energy: 1.231185089039838
Energy: 1.8223161049345202
Energy: 1.1655510426411546
Energy: 1.1263252705977564
Energy: 1.2204479597443914
Energy: 1.2159460369968078
Energy: 1.2614098490298022
Energy: 1.8213169244396703
Energy: 1.3352769240387352
Energy: 1.3367721419268515
Energy: 1.3196934752083904
Energy: 1.3155267467637741
Energy: 1.3426630667374004
Energy: 2.0842632819999016
Energy: 1.3181326513888805
Energy: 1.2857807818136069
Energy: 1.311892000661196
Energy: 1.3088384609829227
Energy: 1.295722875257512
Energy: 2.067433292248381
Energy: 1.2975730261993497
Energy: 1.286481453238688
Energy: 1.5014770308131784
Energy: 1.293164216441546
Energy: 1.299537419310935
Energy: 1.75212687065151
Energy: 1.3723511577887717
Energy: 1.330963968638725
Energy: 1.3753741434503652
Energy: 1.3986316303903137
Energy: 1.3604110603296564
Energy: 1.9233583761299586
Energy: 1.3469180922477784
Energy: 1.3724362441071023
Energy: 1.3577533732626734
Energy: 1.3319605299945245
Energy: 1.3275761165692892
Energy: 1.6040804123182282
Energy: 1.340804019467177
Energy: 1.3513572188364902
Energy: 1.3311145831632423
Energy: 1.326230852582237
Energy: 1.313324181551563
Energy: 1.5237830859133161
Energy: 1.3105804947685045
Energy: 1.324874916416215
Energy: 1.3409376087108904
Energy: 1.3123177394426293
Energy: 1.2947399036907303
Energy: 1.5171689046856471
Energy: 1.3148304707964114
Energy: 1.3086782765254725
Energy: 1.3319847557584736
Energy: 1.2965413880934968
Energy: 1.3199408494565545
Energy: 1.599210364348654
Energy: 1.3662218355561897
Energy: 1.3329527914504007
Energy: 1.3230400163566123
Energy: 1.3356707017709764
Energy: 1.3922377820051821
Energy: 1.5608718826704322
Energy: 1.3401279237020547
Energy: 1.3097258587185214
Energy: 1.365981270120747
Energy: 1.3064786222549187
Energy: 1.364984325320962
Energy: 1.4101370745067248
Energy: 1.2813330448231053
Energy: 1.2724196960840035
Energy: 1.3305840154707318
Energy: 1.279972815636634
Energy: 1.2928173956600189
Energy: 1.3238039685330685
Energy: 1.2698178707578507
Energy: 1.3140714258365207
Energy: 1.2598277759623564
Energy: 1.33148044499111
Energy: 1.2709531999647017
Energy: 1.359793626821708
Energy: 1.277834316606861
Energy: 1.3017610547433436
Energy: 1.3708012201327664
Energy: 1.1146364217114995
Energy: 1.2831262792609948
Energy: 1.148445826271395
Energy: 1.2343742412404115
Energy: 1.2463544569723524
Energy: 1.316595578081645
Energy: 1.2403771932395224
Energy: 1.076074885155042
Energy: 1.0568317771427123
Energy: 1.020422620500087
Energy: 1.2872699445576483
Energy: 1.25737586242327
Energy: 1.211364522963245
Energy: 1.0193902390430574
Energy: 1.155863634704988
Energy: 1.024428351374214
Energy: 1.0830962923944285
Energy: 1.2773879259760903
Energy: 1.1058376294747656
Energy: 1.143624330232045
Energy: 1.1730203162712138
Energy: 1.1382225394198542
Energy: 1.0523868652094661
Energy: 1.3425303023309483
Energy: 1.1060174924331965
Energy: 1.141226117636281
Energy: 1.0175383235197764
Energy: 1.0947966085642755
Energy: 1.235432438800925
Energy: 1.2599418718545223
Energy: 1.0966705109456858
Energy: 1.09727117096134
Energy: 1.0320185028062907
Energy: 1.1967330993869991
Energy: 1.271270436760902
Energy: 1.2662160543791707
Energy: 1.2220308887281588
Energy: 1.0412177419114452
Energy: 1.1957993800336648
Energy: 1.1828640574237006
Energy: 1.2924936956043338
Energy: 1.361125443184459
Energy: 0.9856572142329748
Energy: 1.183126193423899
Energy: 1.1644927267440475
Energy: 1.234081182567147
Energy: 1.240680571583534
Energy: 1.3340777455275659
Energy: 1.2450383121589375
Energy: 1.1770636961166105
Energy: 1.1633871487005862
Energy: 1.1607394984429278
Energy: 1.2545953960354204
Energy: 1.2934771162717695
Energy: 1.2485623822895353
Energy: 1.2175054785497263
Energy: 1.2557723737014233
Energy: 1.1972976407867946
Energy: 1.200020857595706
Energy: 1.3331672291997005
Energy: 1.2055590461296668
Energy: 1.1951981837134111
Energy: 1.3889829068220552
Energy: 1.3026570402361457
Energy: 1.1767566475353406
Energy: 1.3793905989900943
Energy: 1.2056291065340399
Energy: 1.320757791092516
Energy: 1.3208365558438062
Energy: 1.210269344450075
Energy: 1.298606626852387
Energy: 1.3005198648441814
Energy: 1.2139484610959763
Energy: 1.2311628731943562
Energy: 1.5349415963644166
Energy: 1.3045806545008503
Energy: 1.305146720677521
Energy: 1.312988823441722
Energy: 1.2981922633947434
Energy: 1.2516429298450438
Energy: 1.3862899429998732
Energy: 1.3050621847512234
Energy: 1.3915564649879142
Energy: 1.7927738732083598
Energy: 1.3808876573797153
Energy: 1.3043785385608673
Energy: 1.6111093788710433
Energy: 1.321607956836131
Energy: 1.341364954158899
Energy: 1.3139512381757061
Energy: 1.3224451618531112
Energy: 1.3142540433225556
Energy: 1.6157816905064137
Energy: 1.3155100165970857
Energy: 1.3162004811711159
Energy: 1.3181293941228236
Energy: 1.2913178714662463
Energy: 1.323008922385872
Energy: 1.613086089652804
Energy: 1.3023791922004055
Energy: 1.3095531576728308
Energy: 1.3468600052717816
Energy: 1.2984369919111378
Energy: 1.3051308238293002
Energy: 1.9402037188169532
Energy: 1.3346415602086978
Energy: 1.3218334045788154
Energy: 1.3706162080439446
Energy: 1.322314445061983
Energy: 1.3585837402826726
Energy: 1.9220710953156843
Energy: 1.3358807611409582
Energy: 1.3900269930726339
Energy: 1.4021576652861596
Energy: 1.3207686892655859
Energy: 1.337063176055245
Energy: 1.6675578671870552
Energy: 1.3947707746924176
Energy: 1.3860815002009097
Energy: 1.3432263360927221
Energy: 1.381438236676322
Energy: 1.4542405204445115
Energy: 1.9963185012719953
Energy: 1.2730054439343277
Energy: 1.2937220062245365
Energy: 1.4302868116646803
Energy: 1.3101359937171428
Energy: 1.273755167801154
Energy: 2.17999383361382
Energy: 1.310888295706113
Energy: 1.3293477235947393
Energy: 1.2848330046730747
Energy: 1.3177277672914827
Energy: 1.282813498665177
Energy: 1.998433888401231
Energy: 1.143900365197676
Energy: 1.2913872635606238
Energy: 1.3480597812493897
Energy: 1.299920566699388
Energy: 1.3257585321847678
Energy: 1.9987764964776413
Energy: 1.269476400879086
Energy: 1.2292546670861597
Energy: 1.1627438926101403
Energy: 1.2282669112171445
Energy: 1.2644872218581447
Energy: 2.223931950961494
Energy: 1.1955363507301677
Energy: 1.1092922100994094
Energy: 1.1083496903670231
Energy: 1.1026889032760958
Energy: 1.2590974273682451
Energy: 2.323198052346311
Energy: 1.1637533530449171
Energy: 1.1491632618767218
Energy: 1.0634580084534762
Energy: 1.1496821541726034
Energy: 1.1675168898358845
Energy: 1.9802488116632886
Energy: 1.0594923549700241
Energy: 1.1464689339704575
Energy: 1.1352900449292627
Energy: 1.1586998540595936
Energy: 1.3236392916501423
Energy: 2.3713069359596375
Energy: 1.1373261185525414
Energy: 1.0651566049552996
Energy: 0.9558573656281759
Energy: 1.065069600815941
Energy: 1.1161571543495605
Energy: 2.3873245982598665
Energy: 1.1365758191132098
Energy: 0.9884762941747168
Energy: 0.9854234147957096
Energy: 1.1112971327556358
Energy: 1.263645621192655
Energy: 2.158098109711253
Energy: 0.989327858704496
Energy: 1.1376570032323592
Energy: 1.074297050896498
Energy: 1.0247148439384053
Energy: 1.2382770453506111

minimum gb energy = 0.9558573656281759 eV
minimum distance =  2.16884554929807 Angstroms
sigma value = 67


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

Energy: 0.2709899680158127
Energy: 0.5151425086436886
Energy: 0.5156072235879331
Energy: 0.5182957936409244
Energy: 0.5143263866160402
Energy: 0.2713771565246932
Energy: 1.5189387330698085
Energy: 0.4238296963692055
Energy: 0.42502917146291214
Energy: 0.42829959688388863
Energy: 0.42437842690060296
Energy: 0.4240266709563078
Energy: 1.6003493525526449
Energy: 0.46764528108657316
Energy: 0.4683626573915423
Energy: 0.4697686574106343
Energy: 0.46885292090361974
Energy: 0.46825698267966803
Energy: 0.27158481025324205
Energy: 0.4674387707484573
Energy: 0.46767868124700496
Energy: 0.4697648584351449
Energy: 0.4664413841951125
Energy: 0.2721445913599108
Energy: 0.3144766405171129
Energy: 0.44004117729926384
Energy: 0.4704208060842256
Energy: 0.4715020508222047
Energy: 0.4704873874818331
Energy: 0.2723171732989514
Energy: 1.5175179860622876
Energy: 0.46653436689987154
Energy: 0.46660158893248427
Energy: 0.46875153894180155
Energy: 0.4658583808683868
Energy: 0.46701290759515685
Energy: 0.36650802521905046
Energy: 0.4254631005954834
Energy: 0.4416218401456926
Energy: 0.4694776531881418
Energy: 0.4250123625630583
Energy: 0.5162469778276354

minimum gb energy = 0.2709899680158127 eV
minimum distance =  2.38070700626324 Angstroms
sigma value = 3


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

Energy: 2.2466173976429347
Energy: 1.237320821568472
Energy: 1.038557346738633
Energy: 1.0377168882849044
Energy: 1.0403588015023058
Energy: 1.4199287820892876
Energy: 2.2763507998727466
Energy: 1.0292408723279562
Energy: 0.9040975497969146
Energy: 0.90575075196332
Energy: 0.9057663254747299
Energy: 1.2366857939706744
Energy: 2.259345854907524
Energy: 1.0599902738522495
Energy: 0.903998292117831
Energy: 0.9049284198692288
Energy: 0.904341087506865
Energy: 1.2284562298636312
Energy: 2.1092201497990137
Energy: 0.955102020726714
Energy: 0.9039702780846297
Energy: 0.9052902059624413
Energy: 0.9552560165263471
Energy: 1.2073557897784883
Energy: 2.1042563492480064
Energy: 1.0544131445885276
Energy: 1.0754086712903075
Energy: 1.0068853588494835
Energy: 1.086214252807791
Energy: 1.2347539226651123
Energy: 2.2687476488308724
Energy: 1.046785312899487
Energy: 1.058147624344946
Energy: 1.06172409744368
Energy: 1.0617008690858665
Energy: 1.2277582594736816
Energy: 2.2805131756758126
Energy: 1.0565740915287853
Energy: 1.0525580821044265
Energy: 1.0137161155869605
Energy: 1.0514260615941335
Energy: 1.2234465979918283
Energy: 1.8228813884871693
Energy: 1.1843000998727071
Energy: 1.3356246909247529
Energy: 1.1240460956350526
Energy: 1.1331429570241363
Energy: 1.2235452170656853
Energy: 2.117927449251698
Energy: 1.226517491825886
Energy: 1.2154966721273823
Energy: 1.3288687046084964
Energy: 1.2077694069848368
Energy: 1.2035406936394601
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Energy: 1.2726039313168989
Energy: 1.1934420091587905
Energy: 1.2952438274480416
Energy: 1.1939399592294009
Energy: 1.2599380822475867
Energy: 1.8254691788871442
Energy: 1.2236819325942945
Energy: 1.2487346538425008
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Energy: 1.2496637996086999
Energy: 1.2237709113177124
Energy: 1.8109917170407608
Energy: 1.2427765474231198
Energy: 1.232110756000799
Energy: 1.5451960658503305
Energy: 1.236034796000354
Energy: 1.2691882004358455
Energy: 1.8206704495564103
Energy: 1.2232652666151893
Energy: 1.2172678778938113
Energy: 1.4096988226828273
Energy: 1.2147078445918504
Energy: 1.2957013855616806
Energy: 1.8428168197976427
Energy: 1.2610864196040257
Energy: 1.294449146974141
Energy: 1.3435838965331905
Energy: 1.290473406661935
Energy: 1.2429564947146021
Energy: 1.557616053111355
Energy: 1.2369573948244217
Energy: 1.3451435626910206
Energy: 1.3379148605144802
Energy: 1.3224963626394304
Energy: 1.2307844551812213
Energy: 1.5982500850820622
Energy: 1.349538780348716
Energy: 1.2375347977942368
Energy: 1.2490769093076504
Energy: 1.3268863641520263
Energy: 1.3495308284607967
Energy: 1.5230544205606158
Energy: 1.266583662787354
Energy: 1.248468526760899
Energy: 1.2613091838905606
Energy: 1.2779951086836667
Energy: 1.2292332034583553
Energy: 1.5489755931500755
Energy: 1.210392976608166
Energy: 1.2898268284211194
Energy: 1.2396729008672485
Energy: 1.272333663927032
Energy: 1.2118242823191874
Energy: 1.5261247757943917
Energy: 1.2348314931603113
Energy: 1.2463877475597471
Energy: 1.2537345045735468
Energy: 1.2183456931193797
Energy: 1.2871785236498277
Energy: 1.355200276849099
Energy: 1.2487758857901923
Energy: 1.2348548916036926
Energy: 1.2657424813846239
Energy: 1.2305521317436556
Energy: 1.2580427536058993
Energy: 1.2942877985737309
Energy: 1.1877897169002058
Energy: 1.2653362740345209
Energy: 1.2637919976720646
Energy: 1.2539569127843908
Energy: 1.218132074646482
Energy: 1.3505997022388139
Energy: 1.2178157594989798
Energy: 1.2308562149060052
Energy: 1.290730061520846
Energy: 1.2331446356598978
Energy: 1.2221808178770284
Energy: 1.0959831519748284
Energy: 1.355884082487535
Energy: 1.3304063716435088
Energy: 1.3253562503297855
Energy: 1.3260855638083056
Energy: 1.3585100044022655
Energy: 1.0305436051294024
Energy: 1.050821396676443
Energy: 1.2141820800786955
Energy: 1.2684335038248211
Energy: 1.0800440100652606
Energy: 1.0351357344586152
Energy: 1.071500503461084
Energy: 1.0584447895010642
Energy: 1.1861200878703655
Energy: 1.286826020590341
Energy: 1.1862216100202632
Energy: 1.0571859465191973
Energy: 1.0824240063859485
Energy: 1.0257154233254262
Energy: 1.151881094603236
Energy: 1.256356989994247
Energy: 1.0256671149035648
Energy: 1.0253795386652094
Energy: 0.9069721756438586
Energy: 0.9043637212838438
Energy: 1.172069746125626
Energy: 1.258215509025716
Energy: 0.9043833402977379
Energy: 0.9043817363673078
Energy: 0.905375126606603
Energy: 0.9045341646654397
Energy: 1.03477449376657
Energy: 1.2866461360965267
Energy: 1.0360180929504113
Energy: 0.9040854428140953
Energy: 0.9054001604858748
Energy: 0.9043982280385778
Energy: 1.2138601858616722
Energy: 1.2866315853699872
Energy: 0.9036668756410836
Energy: 0.9039797388463906
Energy: 1.1730077328174795
Energy: 1.2218839159290955
Energy: 1.066794844786739
Energy: 1.2549133211139794
Energy: 1.0758692696816696
Energy: 1.2209704839419315
Energy: 1.0609988511397237
Energy: 1.069925287504768
Energy: 1.221720075211213
Energy: 1.2647106510106654
Energy: 1.0560341573576681
Energy: 1.0765772716355337
Energy: 1.004982099683111
Energy: 1.027036305776738
Energy: 1.0580353553359305
Energy: 1.2883825198576841
Energy: 1.0492064570537716
Energy: 1.0293978890772826
Energy: 1.0909963277987793
Energy: 1.068621275974173
Energy: 1.077931905152033
Energy: 1.2291729506357605
Energy: 1.061255140530962
Energy: 1.0786266520072858
Energy: 1.2834926993901083
Energy: 1.18187932143423
Energy: 1.230230535248182
Energy: 1.2602511309959283
Energy: 1.1952395788872006
Energy: 1.1879521673973847
Energy: 1.3331297969584448
Energy: 1.1982074778593617
Energy: 1.2096332122794835
Energy: 1.2630683700665697
Energy: 1.2243387701004138
Energy: 1.1932809067417227
Energy: 1.278695915619075
Energy: 1.2590102070572526
Energy: 1.2241726971886482
Energy: 1.2809492300492118
Energy: 1.2568563614165669
Energy: 1.2016054453127698
Energy: 1.4411782360390184
Energy: 1.3826211382346658
Energy: 1.213838696775823
Energy: 1.2279428131273205
Energy: 1.213702384951418
Energy: 1.41608869004647
Energy: 1.5035323756236498
Energy: 1.256375852938203
Energy: 1.3502887127085443
Energy: 1.2426783418766545
Energy: 1.2902443118809939
Energy: 1.2276619209592048
Energy: 1.5492810850418917
Energy: 1.2290067688451094
Energy: 1.2417355375920929
Energy: 1.2332150017480237
Energy: 1.295679462459592
Energy: 1.2692061958023277
Energy: 1.5978015963087504
Energy: 1.269707985591626
Energy: 1.2297046629597128
Energy: 1.3501102573599153
Energy: 1.2318007570219114
Energy: 1.2955562645216256
Energy: 1.6634411607855402
Energy: 1.2650761377451978
Energy: 1.2460503406286598
Energy: 1.5075862119727415
Energy: 1.2555933629105724
Energy: 1.2545493843909
Energy: 1.6725201485366237
Energy: 1.2255440422482606
Energy: 1.2958815645466353
Energy: 1.3241830453115033
Energy: 1.2515954354725862
Energy: 1.2378018893494165
Energy: 1.8162773143828699
Energy: 1.288075518628065
Energy: 1.2369657956962576
Energy: 1.334500493460306
Energy: 1.2545057828594752
Energy: 1.2437105654111704
Energy: 1.8321429201655988
Energy: 1.2934938523423256
Energy: 1.2273962985548499
Energy: 1.3313196155514635
Energy: 1.232480780147402
Energy: 1.3511316974501808
Energy: 1.8923637934663928
Energy: 1.2814199114494853
Energy: 1.3744892205934687
Energy: 1.3216811430311357
Energy: 1.353107028225448
Energy: 1.3230949507217244
Energy: 2.152153584911984
Energy: 1.2520797641359251
Energy: 1.187896162156557
Energy: 1.283337904516741
Energy: 1.2538144931880835
Energy: 1.2194679750304336
Energy: 2.125199814147049
Energy: 1.2311589912469283
Energy: 1.1951690547293397
Energy: 1.3582339645067176
Energy: 1.1950350195542174
Energy: 1.2273481800165835
Energy: 1.9599927608983398
Energy: 1.1962182105742767
Energy: 1.1830534190082767
Energy: 1.265597525552881
Energy: 1.1794934636568852
Energy: 1.2356120724268496
Energy: 1.9543707010279674
Energy: 1.1900626530094027
Energy: 1.0685069612433684
Energy: 1.069702763340784
Energy: 1.068539207864782
Energy: 1.2355827200314342
Energy: 2.2697260467778917
Energy: 1.2308958862493167
Energy: 1.032294764075165
Energy: 1.0328225548710983
Energy: 1.0362981623296914
Energy: 1.2599806315958268
Energy: 2.2412817315431104
Energy: 1.0671902731251828
Energy: 1.0551595072718896
Energy: 1.0730548371953037
Energy: 1.0563502375333935
Energy: 1.213498845225541

minimum gb energy = 0.9036668756410836 eV
minimum distance =  2.19097397681693 Angstroms
sigma value = 81


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

Energy: 2.532534843488236
Energy: 1.406303526039346
Energy: 1.1665427838033022
Energy: 1.1957769049122837
Energy: 1.1662435794564354
Energy: 1.4716561704803437
Energy: 2.330327728333587
Energy: 1.1059415728523496
Energy: 1.0121661925256336
Energy: 1.0111748187268048
Energy: 1.0118411960798912
Energy: 1.344158976521046
Energy: 2.1615318799465126
Energy: 1.0058584096640752
Energy: 1.0126378163591017
Energy: 1.0141420172393039
Energy: 1.012642310275326
Energy: 1.4422677218800557
Energy: 2.3629943607341763
Energy: 1.1407977939898186
Energy: 1.0144244380844443
Energy: 1.016025275510454
Energy: 1.084838753910278
Energy: 1.3315339356463038
Energy: 2.3751001138467456
Energy: 1.1907092270664825
Energy: 1.1878711538252464
Energy: 1.1739410956530942
Energy: 1.1413900014832339
Energy: 1.3467472056740546
Energy: 2.1187873224354736
Energy: 1.199992965914129
Energy: 1.2160010285387606
Energy: 1.2042157867768206
Energy: 1.213861711431911
Energy: 1.4885677719380237
Energy: 2.3135647627473466
Energy: 1.2377789199169746
Energy: 1.2210246462314835
Energy: 1.191502633634792
Energy: 1.2256023981812094
Energy: 1.4344480519390344
Energy: 2.0090337215722895
Energy: 1.4020560197873082
Energy: 1.5313910954575314
Energy: 1.2447851750645325
Energy: 1.5033190801454608
Energy: 1.4193896317870702
Energy: 1.9610626809195777
Energy: 1.4491975075487211
Energy: 1.4337767137257567
Energy: 1.4872914762198806
Energy: 1.4345643164777133
Energy: 1.4798049190956746
Energy: 1.921310035337146
Energy: 1.4688018270225958
Energy: 1.382724031949336
Energy: 1.5719161428544068
Energy: 1.42294888350617
Energy: 1.4663715590691417
Energy: 1.6931652673147104
Energy: 1.4027895539369728
Energy: 1.4443298713167365
Energy: 1.562486501060037
Energy: 1.4359925860980955
Energy: 1.4166510821385276
Energy: 1.9650876310305823
Energy: 1.4342518953325358
Energy: 1.446916809642676
Energy: 1.8094150086080243
Energy: 1.422338085810776
Energy: 1.4450315231343065
Energy: 1.5221229241426493
Energy: 1.3910725870864176
Energy: 1.3723430972063657
Energy: 1.585954043849292
Energy: 1.3572706765981013
Energy: 1.342061522489
Energy: 1.5269473714882367
Energy: 1.3375133541786948
Energy: 1.381792175730198
Energy: 1.7617370104392023
Energy: 1.3846985828357423
Energy: 1.3557816155946683
Energy: 1.5458071016519808
Energy: 1.362982669131135
Energy: 1.464842765399477
Energy: 1.4899555514381069
Energy: 1.3991874151665173
Energy: 1.3287726765029169
Energy: 1.459870280526212
Energy: 1.5022607580196428
Energy: 1.4180280129686684
Energy: 1.8969399119639596
Energy: 1.3177246509335647
Energy: 1.5579542854935784
Energy: 1.2919332729722737
Energy: 1.3338898012476361
Energy: 1.416370529730144
Energy: 1.4638038085372607
Energy: 1.3775037198521447
Energy: 1.2965115385317845
Energy: 1.3111681729361604
Energy: 1.291662256575148
Energy: 1.3065051497634135
Energy: 1.4817477410493014
Energy: 1.3001722308801598
Energy: 1.298306713446243
Energy: 1.404064467458059
Energy: 1.284867090376135
Energy: 1.301533073567376
Energy: 1.7961769902195095
Energy: 1.2843972852895948
Energy: 1.2790212390576312
Energy: 1.1525040422763606
Energy: 1.113479045308514
Energy: 1.1971658843997133
Energy: 1.4384883214945619
Energy: 1.1146887538095556
Energy: 1.1126929856117562
Energy: 1.1076473868494663
Energy: 1.0943091303793184
Energy: 1.0982566044565334
Energy: 1.4801344973467616
Energy: 1.097699657288012
Energy: 1.0942056968297957
Energy: 1.1106225957795073
Energy: 1.1350278144891321
Energy: 1.3857351015757882
Energy: 1.4203978102752282
Energy: 1.1532358284479423
Energy: 1.1155736804182537
Energy: 1.3496478478856988
Energy: 1.3678824459538466
Energy: 1.51615103439622
Energy: 2.1673890891165484
Energy: 1.354735606038957
Energy: 1.3814096739484851
Energy: 1.247847526685832
Energy: 1.1405792637338235
Energy: 1.4128146591819735
Energy: 1.5149944276243816
Energy: 1.1409676137502316
Energy: 1.1376185202608062
Energy: 1.1723034211933088
Energy: 1.120540039002616
Energy: 1.152201441264093
Energy: 1.6879035100564859
Energy: 1.1478283858566343
Energy: 1.1386220039565056
Energy: 1.1987496643286624
Energy: 1.163125804950907
Energy: 1.1732127549847926
Energy: 1.4211273898326164
Energy: 1.1670167693591347
Energy: 1.1389370248473276
Energy: 1.6720093387413344
Energy: 1.393342948724513
Energy: 1.4509290642617645
Energy: 1.7045876684636183
Energy: 1.395845117823629
Energy: 1.4133990838516648
Energy: 1.486661041043742
Energy: 1.3899221244619253
Energy: 1.435843735630949
Energy: 1.8716372040461156
Energy: 1.4192394190310684
Energy: 1.3981801139336087
Energy: 1.5660567545050135
Energy: 1.4511537760090871
Energy: 1.3995273417523642
Energy: 1.413646699102691
Energy: 1.456371936058612
Energy: 1.4302873278287513
Energy: 1.6623750240425497
Energy: 1.5250531887311494
Energy: 1.4295333709056188
Energy: 1.6949000364372513
Energy: 1.4724539502853642
Energy: 1.466018568200229
Energy: 1.824348991236566
Energy: 1.4164717933643214
Energy: 1.549626370610266
Energy: 1.554168137054094
Energy: 1.4651407855285332
Energy: 1.3964450736497362
Energy: 1.9121850840494
Energy: 1.4321008054113253
Energy: 1.446648932125745
Energy: 1.5671785618258325
Energy: 1.4550022641193956
Energy: 1.4303289389437663
Energy: 1.9131067132988981
Energy: 1.4607214770904904
Energy: 1.3894326328261095
Energy: 1.5567269043848027
Energy: 1.395964673779376
Energy: 1.4595276824320307
Energy: 2.196128555185279
Energy: 1.4141603781718877
Energy: 1.3936686108935703
Energy: 1.530584342638638
Energy: 1.4104217312111844
Energy: 1.4292114583045663
Energy: 1.9004348161220779
Energy: 1.3126897627930185
Energy: 1.2346986158110618
Energy: 1.2096751241604393
Energy: 1.2352480010842621
Energy: 1.3172276840182244
Energy: 2.158964957259395
Energy: 1.254611583691299
Energy: 1.188849925622021
Energy: 1.1948420827599397
Energy: 1.1895147728872573
Energy: 1.4529882961110516
Energy: 2.1336096475029662
Energy: 1.3109796695488274
Energy: 1.2374744352001241
Energy: 1.2189784908277221
Energy: 1.240825492810674
Energy: 1.3316305576257492
Energy: 2.194082832763598
Energy: 1.226038428782611
Energy: 1.1662996700971333
Energy: 1.1665666890272404
Energy: 1.1672633884719925
Energy: 1.3247493710926463

minimum gb energy = 1.0058584096640752 eV
minimum distance =  2.25505890416937 Angstroms
sigma value = 43


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

Energy: 2.1166937843907063
Energy: 1.5108112519301835
Energy: 1.2436198803393577
Energy: 1.2443790464856967
Energy: 1.2436831100931933
Energy: 2.1509236295945193
Energy: 2.2310283598909386
Energy: 1.0705914609590483
Energy: 1.0690196038793267
Energy: 1.0687876916056311
Energy: 1.0714070671717233
Energy: 1.5635868883230881
Energy: 2.0172352806768195
Energy: 1.0632816633361883
Energy: 1.0698828139716077
Energy: 1.0698311486561793
Energy: 1.0706124304353126
Energy: 1.3057513558934246
Energy: 2.226914752780784
Energy: 1.2941585740295403
Energy: 1.0751901099200032
Energy: 1.0908612485984683
Energy: 1.0752022813691589
Energy: 1.5026740023913179
Energy: 2.1841057286061503
Energy: 1.3010508474186897
Energy: 1.2919236999383858
Energy: 1.2652378799149164
Energy: 1.291669574554173
Energy: 1.5583994658560152
Energy: 2.0186549589322333
Energy: 1.305683221434921
Energy: 1.3106875210852704
Energy: 1.3103307914664584
Energy: 1.3004707225193408
Energy: 1.3264404699065446
Energy: 2.249491738012329
Energy: 1.3202181440226974
Energy: 1.3089229618411549
Energy: 1.2960869745946326
Energy: 1.3247474808491497
Energy: 1.5850796323624075
Energy: 1.7631342561792405
Energy: 1.5171385542274332
Energy: 1.3741894040612521
Energy: 1.3215324871073715
Energy: 1.3879491943965014
Energy: 1.5488233323838732
Energy: 1.773270447248307
Energy: 1.5907123123444624
Energy: 1.549446219260496
Energy: 1.5347358732748935
Energy: 1.5504167147244519
Energy: 1.5603930965058523
Energy: 1.7209404036376177
Energy: 1.5563840162525213
Energy: 1.5057015001970733
Energy: 1.7589014773475424
Energy: 1.5442484186051975
Energy: 1.5677547792605955
Energy: 1.7977398107435192
Energy: 1.5335772622636228
Energy: 1.540198775415024
Energy: 1.7388339579663465
Energy: 1.5824538290770394
Energy: 1.5573862215086376
Energy: 1.7231332091709644
Energy: 1.5711919593846038
Energy: 1.5591251349002728
Energy: 1.9912493306264605
Energy: 1.5475529289286165
Energy: 1.5673724786502856
Energy: 1.3381128539297473
Energy: 1.3391262126429415
Energy: 1.5183928255698815
Energy: 1.5062356143398037
Energy: 1.5302675132511645
Energy: 1.3432616258912933
Energy: 1.3040863032488788
Energy: 1.2896453450098393
Energy: 1.560601798692401
Energy: 1.7959918063660993
Energy: 1.3258172164787168
Energy: 1.2940124663343853
Energy: 1.3204029280723613
Energy: 1.346871804983744
Energy: 1.541634816821957
Energy: 1.6143573716786002
Energy: 1.343778375133878
Energy: 1.3153154099057387
Energy: 1.242816529131285
Energy: 1.2439674037194637
Energy: 1.505678307013889
Energy: 2.017162901272352
Energy: 1.2947448342140788
Energy: 1.2438944045730997
Energy: 1.0593038415906884
Energy: 1.0611317937769604
Energy: 1.3261521898099302
Energy: 1.5598779859545393
Energy: 1.0698665192894707
Energy: 1.0593742787296205
Energy: 1.069270507582945
Energy: 1.069410267180687
Energy: 1.3055537281364138
Energy: 1.880949657292103
Energy: 1.0630725563012435
Energy: 1.0689903283172277
Energy: 1.0762436853830915
Energy: 1.0760579200362674
Energy: 1.3129647035499257
Energy: 2.2124253824813924
Energy: 1.2870307680458772
Energy: 1.0748331072307933
Energy: 1.2685419511612328
Energy: 1.3230285152914738
Energy: 1.2912710915668897
Energy: 1.3463251329425743
Energy: 1.294107423997618
Energy: 1.297707010242694
Energy: 1.3156413640176876
Energy: 1.3212993635232515
Energy: 1.3058041577858142
Energy: 1.7858946550778594
Energy: 1.300237438694617
Energy: 1.3226530937755234
Energy: 1.2652412953494858
Energy: 1.3247373612122206
Energy: 1.5717151748674132
Energy: 1.5884617220522903
Energy: 1.325315655099892
Energy: 1.2920463912871545
Energy: 1.3345292392377768
Energy: 1.3753768266578896
Energy: 1.633914204614102
Energy: 1.8268874736275789
Energy: 1.6133056284699288
Energy: 1.3418652535608768
Energy: 1.5396477241071906
Energy: 1.5491770396917501
Energy: 1.5930664521704614
Energy: 1.5438983027015114
Energy: 1.5742896786695313
Energy: 1.5371634569197945
Energy: 1.7842259786667778
Energy: 1.5368866290325394
Energy: 1.56759255419474
Energy: 1.5468846857123044
Energy: 1.556443784009337
Energy: 1.5388347747537845
Energy: 1.775814657100951
Energy: 1.5397169594684303
Energy: 1.5110797515211292
Energy: 1.7654131630007528
Energy: 1.5347561433481727
Energy: 1.5624005613657583
Energy: 1.9623794555813836
Energy: 1.5904098789223664
Energy: 1.5719395179877098
Energy: 1.7403671162197074
Energy: 1.53286692611732
Energy: 1.54851869431761
Energy: 2.0566880476052045
Energy: 1.530803015562569
Energy: 1.3392254059342388
Energy: 1.2888827753206027
Energy: 1.3490141952705765
Energy: 1.518472521109139
Energy: 1.976584916390038
Energy: 1.3256251322225765
Energy: 1.293798255616741
Energy: 1.2777448312141293
Energy: 1.2926321314685534
Energy: 1.5521813314762365
Energy: 1.9856994429647654
Energy: 1.5240115049913314
Energy: 1.346484770610604
Energy: 1.3203471904098412
Energy: 1.343591057167968
Energy: 1.5420623272701592
Energy: 2.0093507685249916
Energy: 1.294761982608566
Energy: 1.2629984591628896
Energy: 1.2633901651971995
Energy: 1.2920187268881638
Energy: 1.5056220857588307

minimum gb energy = 1.0593038415906884 eV
minimum distance =  2.25390515175101 Angstroms
sigma value = 57


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

Energy: 1.9227464878926366
Energy: 1.661584788483444
Energy: 1.3353876635802797
Energy: 1.3341655332197424
Energy: 1.335594838629369
Energy: 1.7008162529837718
Energy: 2.063178207035839
Energy: 1.1458806702249786
Energy: 1.155099357872334
Energy: 1.1563289560834147
Energy: 1.1330050517697117
Energy: 1.7232633651773128
Energy: 2.0349716743683732
Energy: 1.1402050970180553
Energy: 1.1493425538496063
Energy: 1.1715168378517429
Energy: 1.142111931268934
Energy: 1.4480430965899305
Energy: 2.149391297823646
Energy: 1.4300522774148865
Energy: 1.1331765433374712
Energy: 1.1602307811745245
Energy: 1.1323117547609767
Energy: 1.779122052707079
Energy: 2.117008832294202
Energy: 1.4370352181524997
Energy: 1.4696631378689957
Energy: 1.4373187274974677
Energy: 1.4537737444183203
Energy: 1.8068260445711781
Energy: 2.015315616612397
Energy: 1.4339231808364326
Energy: 1.4355870910030726
Energy: 1.4761006772711391
Energy: 1.4334989346288947
Energy: 1.4484378002664826
Energy: 2.0238198749341394
Energy: 1.4600222331014259
Energy: 1.4445001632737065
Energy: 1.4322488855743918
Energy: 1.443810268865675
Energy: 1.794224160688159
Energy: 1.5052040429375844
Energy: 1.7284866472758622
Energy: 1.4815041524180335
Energy: 1.462617538580748
Energy: 1.7446524343719951
Energy: 1.752467099408452
Energy: 1.53167246611589
Energy: 1.7924239275020424
Energy: 1.739971756163221
Energy: 1.8001081652604216
Energy: 1.7299671322289354
Energy: 1.7497270804318688
Energy: 1.4538712445686113
Energy: 1.4438190559427806
Energy: 1.7043967268169042
Energy: 1.7673756320774527
Energy: 1.4439880019903595
Energy: 1.434778010575996
Energy: 1.4839292371119235
Energy: 1.4374839672316326
Energy: 1.7155381819857116
Energy: 1.784947130879504
Energy: 1.433036591498891
Energy: 1.479343072439154
Energy: 1.437153710990489
Energy: 1.4388013304570684
Energy: 1.4731027841522917
Energy: 1.7956856029116077
Energy: 1.431164507771997
Energy: 1.4566118554985987
Energy: 1.1335658242619708
Energy: 1.157784496334666
Energy: 1.4338708607005433
Energy: 1.1238850673625607
Energy: 1.1326925726511508
Energy: 1.134595472810914
Energy: 1.1636558544266873
Energy: 1.1491401170165283
Energy: 1.4436040064117572
Energy: 1.817012031163862
Energy: 1.1403641729590641
Energy: 1.1622020719404844
Energy: 1.1684044236548574
Energy: 1.145170204547458
Energy: 1.4774010044661274
Energy: 1.7807296287296377
Energy: 1.1488814783455161
Energy: 1.1734925619014345
Energy: 1.3933176088716495
Energy: 1.3328407246529546
Energy: 1.7028171542108446
Energy: 2.1497609021424764
Energy: 1.4471731488660928
Energy: 1.3357926723357654
Energy: 1.4363588038293067
Energy: 1.4754441496861461
Energy: 1.4502887535468127
Energy: 1.7810989347270494
Energy: 1.448220987073288
Energy: 1.4565547814026227
Energy: 1.439300879772732
Energy: 1.4358444234305292
Energy: 1.447661487050794
Energy: 1.7745173798632443
Energy: 1.4478705082901027
Energy: 1.455410287058329
Energy: 1.4415123173457063
Energy: 1.4447251551187221
Energy: 1.4594334703134058
Energy: 1.5191121784856663
Energy: 1.4629171678768171
Energy: 1.4666872887478175
Energy: 1.7373456466127764
Energy: 1.7728681293336803
Energy: 1.7888368004050763
Energy: 2.0478281534808707
Energy: 1.697389155030798
Energy: 1.7817339641379373
Energy: 1.8049803377957272
Energy: 1.697614165841455
Energy: 1.4447462993831017
Energy: 1.4686188476356576
Energy: 1.4824369618603317
Energy: 1.7620057017392128
Energy: 1.7371868560410955
Energy: 1.4437429415965768
Energy: 1.4342732866860641
Energy: 1.4759309883038263
Energy: 1.4435989195062888
Energy: 1.7376127692977943
Energy: 1.8105651313334468
Energy: 1.433329756103461
Energy: 1.4664337789178201
Energy: 1.5220509568442162
Energy: 1.4465143638175486
Energy: 1.7157662330940864
Energy: 2.302573585310259
Energy: 1.4303438429264783
Energy: 1.493086694533709
Energy: 1.162269308833311
Energy: 1.4558619112615483
Energy: 1.7377954871064794

minimum gb energy = 1.1238850673625607 eV
minimum distance =  2.27264368665796 Angstroms
sigma value = 17


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

Energy: 2.4688408772028887
Energy: 1.859417171146887
Energy: 1.4871136709955375
Energy: 1.5224771269934054
Energy: 1.489942951400706
Energy: 1.9515068263596393
Energy: 1.6711926872959642
Energy: 1.221847706500736
Energy: 1.2429720294813593
Energy: 1.2684862716614462
Energy: 1.2431747078070303
Energy: 1.7056397857166368
Energy: 1.3661148407781483
Energy: 1.2223547092376987
Energy: 1.2448004789979057
Energy: 1.2665515481225254
Energy: 1.2450826994180473
Energy: 1.6937424315780678
Energy: 1.769939662329588
Energy: 1.6192771619550177
Energy: 1.2229170172615984
Energy: 1.2827942380918491
Energy: 1.2247135686621142
Energy: 1.6511170025983748
Energy: 1.7694345499476969
Energy: 1.6326465321706451
Energy: 1.6411881834505153
Energy: 1.3300580748321542
Energy: 1.617970307765113
Energy: 1.6720956598020074
Energy: 1.7578533004216284
Energy: 1.353393940110259
Energy: 1.6421314565778793
Energy: 1.2192388663039673
Energy: 1.6329539967391762
Energy: 1.376300603078586
Energy: 1.6998782471216818
Energy: 1.382304489588057
Energy: 1.3509907326292954
Energy: 1.2876194229305125
Energy: 1.3523671735442742
Energy: 1.7396975720725587
Energy: 1.8123081816366076
Energy: 1.6809808145283918
Energy: 1.6399239819555582
Energy: 1.3069176418547221
Energy: 1.6734638569791254
Energy: 1.6772630609069776
Energy: 1.3336473468740238
Energy: 1.6833990547979683
Energy: 1.966254331479865
Energy: 2.1316730143312212
Energy: 1.6556900283149425
Energy: 1.6787992867211778
Energy: 1.2622967774536165
Energy: 1.275380788458917
Energy: 1.243206511180481
Energy: 2.1685903181296355
Energy: 1.2436990478997112
Energy: 1.2752757189725685
Energy: 1.2677544664516587
Energy: 1.2446156600129419
Energy: 1.680760052245914
Energy: 1.6698064866818478
Energy: 1.2266101340558988
Energy: 1.2445407868691072
Energy: 1.2772885385138697
Energy: 1.2229288353315977
Energy: 1.6246892466573017
Energy: 1.7702834784945582
Energy: 1.2232049634814781
Energy: 1.2450746060943454
Energy: 1.347159415011055
Energy: 1.6455301953051908
Energy: 1.6182912615367535
Energy: 1.7755045932639015
Energy: 1.6554492547421893
Energy: 1.6470783015281896
Energy: 1.2190965814173977
Energy: 1.6317060957943081
Energy: 1.3619757421497871
Energy: 1.3063153405790677
Energy: 1.3531555656288503
Energy: 1.219460240769525
Energy: 1.7498892338010803
Energy: 1.3510366390129356
Energy: 1.3781268263662991
Energy: 1.787349238986121
Energy: 1.3519029758729315
Energy: 1.64283621369024
Energy: 1.2874609044308294
Energy: 1.352485098902187
Energy: 1.6731281283372406
Energy: 1.8937228522617073
Energy: 1.6821880677229375
Energy: 1.2794906633525287
Energy: 2.3976764301940667
Energy: 1.6251206480284914
Energy: 1.68182239304259
Energy: 1.3299185207895192
Energy: 1.683381531299139
Energy: 2.1318651916601152

minimum gb energy = 1.2190965814173977 eV
minimum distance =  2.17225780028859 Angstroms
sigma value = 17


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

Energy: 2.846902679319552
Energy: 1.9055899747910692
Energy: 1.5477993655549638
Energy: 1.5488711277623493
Energy: 1.5476579202975427
Energy: 2.0624237738743534
Energy: 1.8612560379917444
Energy: 1.2987439816913613
Energy: 1.2990043692864104
Energy: 1.301530605973102
Energy: 1.3039057151649567
Energy: 1.5344199801173761
Energy: 1.9582224746006514
Energy: 1.3029404836425915
Energy: 1.3082110911286393
Energy: 1.3046315586057453
Energy: 1.305175875175579
Energy: 1.659031374874818
Energy: 1.9971360164773262
Energy: 1.857874019551952
Energy: 1.3088266221796059
Energy: 1.3027014995427744
Energy: 1.3091256581341215
Energy: 2.023555714856375
Energy: 1.945918731378342
Energy: 2.021620328614835
Energy: 2.106851205184408
Energy: 1.6668184424655677
Energy: 2.0371602844949437
Energy: 2.040182082760749
Energy: 1.3200025607369723
Energy: 1.316546181221749
Energy: 2.0078024412137747
Energy: 2.1770815439139377
Energy: 2.04222147177396
Energy: 1.3032666007815883
Energy: 1.3132603473144884
Energy: 1.3078564826740042
Energy: 1.3093466410757055
Energy: 1.9556258882823896
Energy: 1.308976674750238
Energy: 1.3050195231082382
Energy: 1.2900948369228311
Energy: 1.2867491809868123
Energy: 1.293084148213454
Energy: 1.765226671217929
Energy: 1.2932120628045516
Energy: 1.2948855808505426
Energy: 1.5479757533644865
Energy: 1.305460238567055
Energy: 1.2676904587708453
Energy: 2.310191079141107
Energy: 1.5512143114638846
Energy: 1.3052397064684733
Energy: 1.5425489184693657
Energy: 1.2992387830036567
Energy: 1.5366024169690327
Energy: 2.0458429993984892
Energy: 1.5549027266783482
Energy: 1.5554864677339864
Energy: 1.5667779633895718
Energy: 1.5503735190991679
Energy: 1.6553428919472306
Energy: 1.951813279511451
Energy: 1.6354149557166455
Energy: 1.5527421213571886
Energy: 1.5376289910576868
Energy: 1.6533266461206788
Energy: 1.8888916882323286
Energy: 1.9661081346723648
Energy: 1.8600819268493534
Energy: 1.5537741978171717
Energy: 1.4020653660471192
Energy: 1.9384465151908514
Energy: 1.8910268117781042
Energy: 1.9530101381779765
Energy: 1.884307389618498
Energy: 1.6594940649169538
Energy: 2.266775169283022
Energy: 1.7072653016068449
Energy: 1.2705347624540941
Energy: 1.2922395071169546
Energy: 1.593149908890453
Energy: 2.058052595565835
Energy: 1.5994184208964248
Energy: 1.2666958457896975
Energy: 1.2622795182996667
Energy: 1.2749947522502323
Energy: 1.2627687780357513
Energy: 1.7025859167468897
Energy: 1.8083840993540228
Energy: 1.2510655041071526
Energy: 1.2502634211774384
Energy: 1.258380785652653
Energy: 1.253911114599033
Energy: 1.258099538772639
Energy: 2.3033948392259145
Energy: 1.2661912756186602
Energy: 1.2706906824076234
Energy: 1.2761084252335524
Energy: 1.2704331557817576
Energy: 2.0312681616842188
Energy: 2.293192257215702
Energy: 1.8855714099669438
Energy: 1.9744681728463318
Energy: 1.5646549403637482
Energy: 1.6615198192394838
Energy: 1.8538499771085435
Energy: 1.5324383696208639
Energy: 1.6542340457441822
Energy: 1.877244813446572
Energy: 1.7988110296888764
Energy: 1.8535066983600692
Energy: 1.5498610600601015
Energy: 1.5265807458577132
Energy: 1.5945018686415813
Energy: 1.9099665386219815
Energy: 1.927559845285716
Energy: 1.656109843993719
Energy: 1.5862676557514863
Energy: 1.5619596711065957
Energy: 1.5372607303401196
Energy: 1.614943822459782
Energy: 1.82355989985747
Energy: 1.6279274173002232
Energy: 1.5572431511314981
Energy: 1.5452657028570815
Energy: 1.5776293582503493
Energy: 1.7338077408199422
Energy: 1.6878903211879954
Energy: 1.3225963484722647
Energy: 1.6006433490709835
Energy: 1.30830209900375
Energy: 1.3055452486616266
Energy: 1.3078207073928725
Energy: 1.7114183612018017
Energy: 1.329605272265071
Energy: 1.3068201470775873
Energy: 1.2948945966980712
Energy: 1.3024919147994263
Energy: 1.302173901613599
Energy: 1.8711628505644853
Energy: 1.3020731342949339
Energy: 1.3041266500123878
Energy: 1.3086943598319813
Energy: 1.31032449728385
Energy: 1.8601405318641495
Energy: 1.9469773170657014
Energy: 1.3084729897196026
Energy: 1.315613876637405
Energy: 1.3220246491470538
Energy: 2.10257402690462
Energy: 2.020758544789929
Energy: 1.9681601698387456
Energy: 2.029866327278049
Energy: 1.7160503310776627
Energy: 2.210842675156959
Energy: 2.0415276849714767
Energy: 1.7263629081283531
Energy: 1.3244271517111812
Energy: 2.1326787667486187
Energy: 1.998088462226328
Energy: 2.143621915836162
Energy: 1.3096809590500178
Energy: 1.3131047166638348
Energy: 1.3014335241333321
Energy: 1.3098225152164609
Energy: 2.2193753269434904
Energy: 1.9834159825369713
Energy: 1.293759137006652
Energy: 1.2960519530487666
Energy: 1.293822076660342
Energy: 1.2883321460545876
Energy: 1.3013910486357851
Energy: 2.351580513278762
Energy: 1.3006506254226389
Energy: 1.3005336494726523
Energy: 1.3120331100094762
Energy: 1.2997619780554868
Energy: 1.7173188235427181
Energy: 2.3269358832337894
Energy: 1.3307579671195608
Energy: 1.5897383151711415
Energy: 1.5747518603673467
Energy: 1.306878573678387
Energy: 1.6424542826717698
Energy: 1.908653387012977
Energy: 1.5498616870420894
Energy: 1.5289708256114687
Energy: 1.5375443556025918
Energy: 1.5372909309018712
Energy: 1.6702564769578412
Energy: 1.9229590948252882
Energy: 1.6564057954599836
Energy: 1.5568956534639349
Energy: 1.5345370594924876
Energy: 1.6531092811634256
Energy: 1.9581604112227464
Energy: 2.038126323339335
Energy: 1.8657798854430614
Energy: 1.6482766793406218
Energy: 1.5424604598924803
Energy: 1.8604891020511747
Energy: 1.8984524192395724
Energy: 1.5698560926252685
Energy: 1.9960466930835112
Energy: 1.852995962689957
Energy: 2.1806402841757806
Energy: 1.6614140072207697
Energy: 1.95862046107288
Energy: 1.2838801154661184
Energy: 1.2626087494805607
Energy: 1.5221126008261636
Energy: 2.188673815691659
Energy: 1.2796373971646826
Energy: 1.267580766605984
Energy: 1.2747897289645889
Energy: 1.247696040571266
Energy: 1.255161647702071
Energy: 1.8439639161224541
Energy: 1.251464072470483
Energy: 1.2558805413136105
Energy: 1.2612159628071118
Energy: 1.2691389548880725
Energy: 1.2661772910437514
Energy: 1.926415751763147
Energy: 1.2682969408413767
Energy: 1.26391712656563
Energy: 1.2845975924593775
Energy: 2.015772193420007
Energy: 1.8592347197774066
Energy: 1.970834176846739
Energy: 2.0297923320268163
Energy: 1.609211433037339
Energy: 1.7793552266166555
Energy: 1.8812455087054032
Energy: 2.023079597875856
Energy: 1.560028771655549
Energy: 1.9223170149587956
Energy: 1.8878735068906127
Energy: 1.9083134623757887
Energy: 1.8861832094085642
Energy: 1.6103442132890526
Energy: 1.5345313816365542
Energy: 1.6501778399168385
Energy: 1.8828355591616504
Energy: 1.9157372136102386
Energy: 1.648559264962855
Energy: 1.5753906940030928
Energy: 1.5514284270048686
Energy: 1.5504035218906014
Energy: 1.9751409127350883
Energy: 1.910953007046988
Energy: 1.5519925944423656
Energy: 1.5774235407193786
Energy: 1.5299605642725678
Energy: 1.305043414755469
Energy: 1.4992823403976054

minimum gb energy = 1.247696040571266 eV
minimum distance =  2.16481040603773 Angstroms
sigma value = 57


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

Energy: 2.108408296785373
Energy: 1.9855386319850887
Energy: 1.5623097883320616
Energy: 1.5645796965749421
Energy: 1.948954425925066
Energy: 2.073160921446948
Energy: 2.278474786893487
Energy: 1.3046546419600011
Energy: 1.3195528814150839
Energy: 1.3150562876790022
Energy: 1.3174178541260968
Energy: 1.3033998721328934
Energy: 1.9425054487263294
Energy: 1.312432061944072
Energy: 1.3122174104865256
Energy: 1.3111325461805445
Energy: 1.3121160859657561
Energy: 1.719464683553465
Energy: 1.7209734842219826
Energy: 2.00993861414069
Energy: 1.3179287537579782
Energy: 1.3174790370651965
Energy: 1.316421417554361
Energy: 1.9425913111864104
Energy: 2.250087858113651
Energy: 1.9479621752726552
Energy: 2.1256620363660277
Energy: 2.0047592945813597
Energy: 2.04821154211942
Energy: 1.6293409794799354
Energy: 1.3173057880269226
Energy: 1.3149633614239533
Energy: 1.9830725642907043
Energy: 2.0321427131869028
Energy: 1.966722160836757
Energy: 1.317912618441491
Energy: 1.332644088060775
Energy: 1.3289940183382858
Energy: 1.3122473779315227
Energy: 1.7299622277369504
Energy: 1.3100947207689986
Energy: 1.325730757607186
Energy: 1.3236908986379199
Energy: 1.3192667564735139
Energy: 1.319513876823749
Energy: 1.7533134514748023
Energy: 1.2984822090233477
Energy: 1.3118715073463811
Energy: 1.5609166938555188
Energy: 1.3171315497353895
Energy: 2.0327835769906133
Energy: 2.0077839411105156
Energy: 1.7116874364980657
Energy: 1.3167489680150548
Energy: 1.7211520198937686
Energy: 1.3182346280944388
Energy: 1.66059638964319
Energy: 2.2175271658784212
Energy: 1.673643632508732
Energy: 1.3172100049823197
Energy: 1.3666002686389382
Energy: 1.6728021341788286
Energy: 1.4616218149459814
Energy: 1.703582262998531
Energy: 1.4682704522189507
Energy: 1.6731060096544395
Energy: 1.7013582478680462
Energy: 1.465216875857115
Energy: 1.7021907942884444
Energy: 1.7073368698884952
Energy: 1.6869066672381614
Energy: 1.7184168603774386
Energy: 1.7597683572849734
Energy: 1.7767466109527101
Energy: 1.6964886878105452
Energy: 1.7084997742687116
Energy: 1.6959226681870017
Energy: 1.4523714081764443
Energy: 2.1102260916110054
Energy: 1.7414534253747107
Energy: 1.7199993503647946
Energy: 1.5336236983552123
Energy: 1.7198531760270614
Energy: 2.06637984864051
Energy: 1.960331329721916
Energy: 1.305557446108118
Energy: 1.3204220233266701
Energy: 1.3186060726883604
Energy: 1.3206767634007741
Energy: 1.3035697902250403
Energy: 1.9427461932087076
Energy: 1.314933757390321
Energy: 1.312334694270483
Energy: 1.3109138643145999
Energy: 1.3143023687679458
Energy: 1.7046009144336491
Energy: 1.7638760676278329
Energy: 1.6278006965016656
Energy: 1.3159328716181486
Energy: 1.3175981989164403
Energy: 1.3164793639043193
Energy: 1.633460463354555
Energy: 2.216866316240255
Energy: 1.9418637140628978
Energy: 2.1259137115315103
Energy: 1.7198598070045568
Energy: 2.0462527196666778
Energy: 1.997541388643915
Energy: 1.3170322912672408
Energy: 1.3147336404864565
Energy: 2.1009700951433374
Energy: 2.1117676075434946
Energy: 2.003747602695195
Energy: 1.3178225858938664
Energy: 1.3349396239034037
Energy: 1.3162125649095378
Energy: 1.3151018638868635
Energy: 1.7286725755010592
Energy: 1.3172308899028773
Energy: 1.3262809296282272
Energy: 1.323589269511274
Energy: 1.3261693304376765
Energy: 1.3184057240376106
Energy: 1.7523512810495525
Energy: 1.3015065853882188
Energy: 1.3161128351601306
Energy: 1.3149429122035776
Energy: 1.3172571192119773
Energy: 2.019050701317886
Energy: 1.7385097185745766
Energy: 1.3173406378608914
Energy: 1.3229654594098
Energy: 1.7253243227430963
Energy: 1.318105505262517
Energy: 1.6617699368352157
Energy: 2.2412197755770653
Energy: 1.6768887828772012
Energy: 1.3191829106426123
Energy: 1.3533604650614746
Energy: 1.642655106012199
Energy: 1.4620238287427987
Energy: 1.695522824568341
Energy: 1.4673435784438078
Energy: 1.6383399296230778
Energy: 1.698911091318268
Energy: 1.69105310366707
Energy: 1.7041511014103592
Energy: 1.7088101286945074
Energy: 1.6867303259306632
Energy: 1.7184353460825568
Energy: 1.7599217103856035
Energy: 1.7764138234940443
Energy: 1.6845678918891345
Energy: 1.7079823556928377
Energy: 1.6972820124172905
Energy: 1.4612361538400451
Energy: 2.069341949249497
Energy: 1.741486255521474
Energy: 1.7190041173511132
Energy: 1.542310195940389
Energy: 1.7205629330144603
Energy: 1.2525226568209504

minimum gb energy = 1.2525226568209504 eV
minimum distance =  2.28755524886645 Angstroms
sigma value = 43


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

Energy: 2.6327832141825853
Energy: 2.002207092215661
Energy: 1.6211581745496104
Energy: 1.616800232512657
Energy: 1.6194584899189743
Energy: 2.0631031951874355
Energy: 1.754453746044372
Energy: 1.329437820142058
Energy: 1.3645026895487984
Energy: 1.3598629369207373
Energy: 1.3681919475496869
Energy: 1.330837878372122
Energy: 2.0264489454353645
Energy: 1.3447661596511469
Energy: 1.3586191468392077
Energy: 1.3637352279447357
Energy: 1.3454668533185854
Energy: 2.038120140156811
Energy: 1.4065227179232256
Energy: 1.9474162578873253
Energy: 1.3700399343875551
Energy: 1.3916930269564751
Energy: 1.3498650787780573
Energy: 1.9503164276470901
Energy: 1.659208814790412
Energy: 1.9135738090645227
Energy: 2.0177079589167284
Energy: 1.467924451384575
Energy: 1.9495344552074638
Energy: 1.8882359704621972
Energy: 1.3219829925695479
Energy: 1.3013757051335366
Energy: 2.008987744284699
Energy: 1.9366875389873859
Energy: 1.7234957737495649
Energy: 1.310231833963614
Energy: 1.318482651635353
Energy: 1.29830705352872
Energy: 1.2932587485379257
Energy: 1.4929413863723309
Energy: 1.2935069448124312
Energy: 1.3048081364135475
Energy: 1.3013393871370986
Energy: 1.302092452881788
Energy: 1.2831104207870117
Energy: 1.5031414249782604
Energy: 1.2855447870152674
Energy: 1.300146332246634
Energy: 1.3141799328989447
Energy: 1.3212689742956814
Energy: 1.96925460375644
Energy: 1.9455388336829293
Energy: 1.677913009143772
Energy: 1.311725944030737
Energy: 1.8082641735218903
Energy: 1.9528854602764736
Energy: 2.0444804449548553
Energy: 1.5237608407413294
Energy: 1.9197770809491441
Energy: 2.0111655559363126
Energy: 1.9282891608329749
Energy: 1.9374239981831534
Energy: 1.3495338851424614
Energy: 1.3713400043154402
Energy: 1.3619589761565003
Energy: 1.853489872156678
Energy: 1.6849121266024283
Energy: 1.3449572309827489
Energy: 1.3551693187465796
Energy: 1.3570029692823862
Energy: 1.3554495009490968
Energy: 1.9321317744683075
Energy: 1.9345375069853672
Energy: 1.3339714924949275
Energy: 1.3595876777304658
Energy: 1.3704435008224656
Energy: 1.335223370121264
Energy: 1.3409439328373922
Energy: 2.272242468028677
Energy: 1.3670904947222369
Energy: 1.616458473144733
Energy: 1.6330733431031663
Energy: 1.3636957999536856
Energy: 1.7283514895696697
Energy: 1.7445941044659004
Energy: 1.6406404588664025
Energy: 1.657772856199041
Energy: 1.651764250652841
Energy: 1.6290933103843352
Energy: 1.6174579155959152
Energy: 1.6606370735245704
Energy: 1.610331694520974
Energy: 1.6291728175260853
Energy: 1.643096704712778
Energy: 1.6688211624680513
Energy: 1.6521966135296275
Energy: 1.6789296170110464
Energy: 1.6757589346886794
Energy: 1.722765552995968
Energy: 1.6589432386569878
Energy: 1.9807822135016533
Energy: 1.6499434126572552
Energy: 1.6516125788411546
Energy: 1.6589153512851627
Energy: 1.6118417401174325
Energy: 1.7245586972434948
Energy: 1.63108334697612
Energy: 1.6644280965897795
Energy: 1.6171264782916608
Energy: 1.6196212918552173
Energy: 2.096952194408391
Energy: 2.63339678418636
Energy: 2.010519302118993
Energy: 1.6172159461440538
Energy: 1.3695099761843008
Energy: 1.3669009001242736
Energy: 1.336848024600029
Energy: 1.7245273536836487
Energy: 1.3372232732126823
Energy: 1.3640017434573346
Energy: 1.3620160092957216
Energy: 1.3587548431422256
Energy: 1.669739816767196
Energy: 1.6851446189310224
Energy: 1.3448588545277793
Energy: 1.3590633794194837
Energy: 1.3854930708115019
Energy: 1.3618304542959554
Energy: 1.9510281076270952
Energy: 1.929711238770078
Energy: 1.961053551537472
Energy: 1.3685796510325112
Energy: 1.4544549063162702
Energy: 1.9497904642780985
Energy: 1.8974092074211117
Energy: 1.6597086570440296
Energy: 1.9201325793857569
Energy: 1.963389692209333
Energy: 1.9355845901021471
Energy: 1.9791418562294725
Energy: 1.3038112206306636
Energy: 1.3277693888309297
Energy: 1.3013573032679937
Energy: 2.0617885408502468
Energy: 2.0437989634619855
Energy: 1.2891055502311621
Energy: 1.3048939044031391
Energy: 1.3198180479444646
Energy: 1.2977672238772833
Energy: 1.6387761279779542
Energy: 1.5227002287489275
Energy: 1.28916920247836
Energy: 1.3011768262436594
Energy: 1.3025279948097976
Energy: 1.3000136217234586
Energy: 1.6342352287234296
Energy: 1.6666061337494529
Energy: 1.6966846731907386
Energy: 1.3101230514226427
Energy: 1.3143091335647639
Energy: 1.3144958828435027
Energy: 1.9437738038891275
Energy: 1.9259791465400222
Energy: 1.9547852798498866
Energy: 2.018874960315131
Energy: 1.7234965603205927
Energy: 1.9529144559099991
Energy: 2.0448911518417483
Energy: 1.371709760609636
Energy: 1.3626316544051496
Energy: 1.9363731259074544
Energy: 1.910382471423737
Energy: 1.9662542919369161
Energy: 1.3497946242201397
Energy: 1.3555869292479779
Energy: 1.3544450591739075
Energy: 1.345176026902386
Energy: 1.6831880685318705
Energy: 1.3498092575809313
Energy: 1.3549007117723764
Energy: 1.3689963071705757
Energy: 1.3375316337862044
Energy: 1.3312473812913597
Energy: 1.6594493201985085
Energy: 1.3340213838942725
Energy: 1.359093645267566
Energy: 1.7439535778170274
Energy: 1.621808026022695
Energy: 2.0961715251753277
Energy: 2.2723546111486974
Energy: 1.3640865844260213
Energy: 1.616642534507893
Energy: 1.6522247923453477
Energy: 1.6486916658183532
Energy: 1.615382817261535
Energy: 1.8164024262751686
Energy: 1.630793555620419
Energy: 1.6498102758366702
Energy: 1.3882466911266884
Energy: 1.6416865552277937
Energy: 1.739735122104677
Energy: 1.6828308315306133
Energy: 1.5236579069440053
Energy: 1.6394710193836652
Energy: 1.6592690747838028
Energy: 1.7456962938893197
Energy: 1.649555772810943
Energy: 1.6688600521721375
Energy: 1.7394001486346327
Energy: 1.6507034406328658
Energy: 1.5576723607669825
Energy: 1.612125709017907
Energy: 1.6629458519608167
Energy: 1.668203596488294
Energy: 1.6594315166088014
Energy: 1.5152000443423728

minimum gb energy = 1.2831104207870117 eV
minimum distance =  2.23206526398014 Angstroms
sigma value = 81


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

Energy: 1.3157883372767942
Energy: 1.7192949854481356
Energy: 1.917014972276036
Energy: 1.6399378547455405
Energy: 1.9176915857397414
Energy: 1.2731973291672856
Energy: 1.317345935953262
Energy: 1.6411079042446561
Energy: 1.317721655555824
Energy: 1.3171767598301873
Energy: 1.6401998106439175
Energy: 1.6400185043482616
Energy: 1.4796966956800295
Energy: 1.4795239007734522
Energy: 1.3171284931321026
Energy: 1.3171939750900707
Energy: 1.3660388853611045
Energy: 1.7203576389054875
Energy: 1.4796957274908586
Energy: 1.4805399096928062
Energy: 1.6400920090841618
Energy: 1.6405223720862319
Energy: 1.640235065192298
Energy: 1.4818020471538602
Energy: 1.4798259306002295
Energy: 1.480950513415998
Energy: 1.640482646437676
Energy: 1.2943833560122728
Energy: 1.48118607107718
Energy: 1.4798876703251846
Energy: 1.6414454854932121
Energy: 1.6408404891356927
Energy: 1.2740477649934248
Energy: 1.3184428935082015
Energy: 1.6401973524016062
Energy: 1.31880634312471
Energy: 1.3171127411569765
Energy: 1.6386700123836273
Energy: 1.6407998312631131
Energy: 1.317481374356806
Energy: 1.6410526089388928
Energy: 1.3174635827031782
Energy: 1.3171004611631412
Energy: 1.317283008965975
Energy: 1.7212893571504972
Energy: 1.4800026496229854
Energy: 1.6404448996317686
Energy: 1.317129768358512
Energy: 1.6406756940031326
Energy: 1.916720305820828
Energy: 1.4814196009446534
Energy: 1.4803971910094658
Energy: 1.479324962171595
Energy: 1.6405897899086663
Energy: 1.294209120528804
Energy: 1.6402673552947467
Energy: 1.4794472587947316
Energy: 1.4808258420555769
Energy: 1.4821116391872542
Energy: 1.6401248633563204

minimum gb energy = 1.2731973291672856 eV
minimum distance =  2.26884073438959 Angstroms
sigma value = 3


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

Energy: 2.482021683753704
Energy: 2.098009283540542
Energy: 1.7108779510603873
Energy: 1.630829490162239
Energy: 1.6948223927505646
Energy: 2.072716869549405
Energy: 1.5409159066009972
Energy: 1.555673304749272
Energy: 1.5725587410213335
Energy: 1.539403242307604
Energy: 1.5860515725327988
Energy: 1.6528065366489417
Energy: 1.5351215417402029
Energy: 1.7105132636197469
Energy: 1.5538276775383628
Energy: 1.5225948123721327
Energy: 1.6480193275658885
Energy: 1.5323232082327802
Energy: 1.5119670448329037
Energy: 1.5540326010943515
Energy: 1.5312761841614035
Energy: 1.5383470546730003
Energy: 1.3885047262614676
Energy: 1.535073002750964
Energy: 1.5079509821309536
Energy: 1.5586787876977495
Energy: 1.5528665281867837
Energy: 2.0235866365747306
Energy: 1.5553087600958415
Energy: 1.5275008402475454
Energy: 1.706748324829043
Energy: 1.7121113999352096
Energy: 1.717808474392173
Energy: 2.0294893141659416
Energy: 1.9816780077322111
Energy: 1.7064754091353695
Energy: 1.7310759605152897
Energy: 1.5555025173225003
Energy: 1.9272637072813281
Energy: 1.307160414166218
Energy: 1.9299252695239348
Energy: 1.5261536869417014
Energy: 1.7133539783117127
Energy: 1.898272525800427
Energy: 1.3037346705172992
Energy: 1.302299240555484
Energy: 1.2812814170685105
Energy: 1.5523464894478534
Energy: 1.9212118188802552
Energy: 1.2720181586478292
Energy: 1.3189331427016693
Energy: 1.2884022600467242
Energy: 1.290315489896821
Energy: 1.9661046305043695
Energy: 1.960736830746864
Energy: 1.6294512634687999
Energy: 1.3230689399614066
Energy: 1.3058449294628374
Energy: 1.301275063385571
Energy: 1.6027724491383326
Energy: 1.9955332408555317
Energy: 1.718145079758402
Energy: 1.2841037972633011
Energy: 1.3071569019906504
Energy: 2.1680525259951007
Energy: 1.9317877954292455
Energy: 1.3140164498560958
Energy: 1.7365247102561636
Energy: 2.0253739178174697
Energy: 2.267019262040626
Energy: 1.728849153977487
Energy: 1.5605813590126938
Energy: 1.2894025227085009
Energy: 1.2806464778237687
Energy: 1.9370274471137927
Energy: 2.2670667245230316
Energy: 1.2745157360915194
Energy: 1.2793658929961393
Energy: 1.277853931458981
Energy: 1.282984651092517
Energy: 2.086292406082019
Energy: 1.918130799566296
Energy: 1.2834372561358487
Energy: 1.2815970213708
Energy: 1.2604291919288424
Energy: 1.2807925987814526
Energy: 1.6493513616951774
Energy: 2.0226915551490396
Energy: 1.3002687014087777
Energy: 1.2800205633419413
Energy: 1.3065349547666207
Energy: 1.6645060205423734
Energy: 1.9681683045930471
Energy: 2.013873231617866
Energy: 1.9418485600937847
Energy: 1.2787187226813521
Energy: 2.2592176736628256
Energy: 1.959343382937317
Energy: 1.600814601244387
Energy: 1.6135074459087249
Energy: 1.5358444312982753
Energy: 2.0636576065353975
Energy: 2.2627673389327905
Energy: 1.5706257253914775
Energy: 1.5394429384854436
Energy: 1.5343727055429135
Energy: 1.5649423348193137
Energy: 1.9846602837811156
Energy: 1.5416097310268324
Energy: 1.410028497119566
Energy: 1.5431418657782079
Energy: 1.5334465376287991
Energy: 1.543139055403851
Energy: 1.7268618693138695
Energy: 1.5267088775911242
Energy: 1.640430413930746
Energy: 1.6326189368328823
Energy: 1.5369297226313485
Energy: 1.3897443407853711
Energy: 1.5539319825600515
Energy: 1.5060478465386808
Energy: 1.5338566007183692
Energy: 1.4082077323405273
Energy: 1.5617627542644816
Energy: 1.5337902044642402
Energy: 1.5248855193483803
Energy: 1.6725795728920971
Energy: 1.5047731662949768
Energy: 2.095952783485534
Energy: 2.105074401421287
Energy: 1.506246077747192
Energy: 1.5058325137211892
Energy: 1.9167873672975542
Energy: 1.5430490665176615
Energy: 1.9181376480024648
Energy: 2.0472325750317366
Energy: 1.918100455707968
Energy: 1.5065752433774986
Energy: 1.7346284330804214
Energy: 1.9119948251507934
Energy: 1.2808421554722482
Energy: 1.306639857769463
Energy: 1.2792863220744224
Energy: 1.7614765439288005
Energy: 1.9433876768698237
Energy: 1.3077021908919646
Energy: 1.3233313050631
Energy: 1.2973609313373553
Energy: 1.2999276953219385
Energy: 1.6147191488212043
Energy: 1.960046797976034
Energy: 1.2999555536910086
Energy: 1.320374812123064
Energy: 1.3053797353688805
Energy: 1.3220581584488782
Energy: 1.2737521903612758
Energy: 2.1066737925321837
Energy: 1.6677814786586602
Energy: 1.280151679744796
Energy: 1.306213609394713
Energy: 1.279425027338361
Energy: 1.925388271304822
Energy: 2.0479901233355453
Energy: 1.6822868594968174
Energy: 1.6862306669617186
Energy: 2.2695958251748345
Energy: 2.0337992683489046
Energy: 1.6678426521185343
Energy: 1.3067435722830074
Energy: 1.2802679041285814
Energy: 2.0428286955888155
Energy: 1.9705509455659866
Energy: 1.2795976096373813
Energy: 1.2810641678279824
Energy: 1.2784527824935876
Energy: 1.2832502155536227
Energy: 1.283426486846538
Energy: 1.9641393934908662
Energy: 1.3198339800751382
Energy: 1.2789902649675442
Energy: 1.2659073100675204
Energy: 1.283723389991761
Energy: 1.5794659294031612
Energy: 1.9302355050175033
Energy: 1.3007085367806015
Energy: 1.2798860432243266
Energy: 1.3072378329083858
Energy: 1.2803903222693451
Energy: 1.9159877716830933
Energy: 1.9422438912838442
Energy: 1.9244039846934282
Energy: 1.3139777660402787
Energy: 1.7645813287536818
Energy: 1.9193085459409411
Energy: 1.5490155140803663
Energy: 1.9459278203113368
Energy: 1.5726673257980313
Energy: 1.6704946778476188

minimum gb energy = 1.2604291919288424 eV
minimum distance =  2.25935651469566 Angstroms
sigma value = 67


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

Energy: 1.8901191410937248
Energy: 2.1081945259093575
Energy: 1.642442857209104
Energy: 1.6428506947266595
Energy: 1.6469060286243573
Energy: 2.2054554054329203
Energy: 1.6946750491031148
Energy: 1.5758052034418022
Energy: 1.5578318786238874
Energy: 1.5319042122862343
Energy: 1.5761377986943288
Energy: 1.5625347005616137
Energy: 1.5320228208110847
Energy: 1.661766756762404
Energy: 1.5896816330153074
Energy: 1.5138618857348862
Energy: 1.5835804929289206
Energy: 1.6896447733304032
Energy: 1.5440432018689612
Energy: 1.5864442943634987
Energy: 1.654406904591976
Energy: 1.5307153711580006
Energy: 1.2888715926035936
Energy: 1.59450590855086
Energy: 1.515773132870042
Energy: 1.5887576920475812
Energy: 1.5695760884173293
Energy: 1.669852222233908
Energy: 1.5942777586937975
Energy: 1.580496408778701
Energy: 1.6810559665999276
Energy: 1.5969550892806175
Energy: 1.6062081355535274
Energy: 2.0658063187052416
Energy: 1.6286515331993787
Energy: 1.6421595043401933
Energy: 1.8270844932331716
Energy: 1.6243481249720975
Energy: 1.2304724897150545
Energy: 1.5587593640548423
Energy: 1.6074342008831153
Energy: 1.5748353093156102
Energy: 1.8163627577532697
Energy: 1.2781637177853244
Energy: 1.227987348256271
Energy: 1.2315458447345993
Energy: 1.228863978088906
Energy: 1.8924000506346998
Energy: 1.8584443487360665
Energy: 1.6641734684902107
Energy: 1.2515829204034998
Energy: 1.242760265356655
Energy: 1.2621470186631913
Energy: 2.076694390344799
Energy: 1.9698907774299872
Energy: 1.2621880888965857
Energy: 1.257734624048022
Energy: 1.25870324613151
Energy: 1.2283389566628344
Energy: 1.5930112017518616
Energy: 1.969368155346799
Energy: 2.047572818909341
Energy: 1.2315228273689445
Energy: 1.2355780286055766
Energy: 2.2199327266603244
Energy: 2.061880584345825
Energy: 1.5703274041897135
Energy: 1.5312549987507247
Energy: 1.755953970430786
Energy: 1.9551647129879797
Energy: 2.056998234948873
Energy: 1.589660501758544
Energy: 1.5534487020675747
Energy: 1.616489388610502
Energy: 1.7561947393808208
Energy: 2.0658556202997373
Energy: 1.5759129131740401
Energy: 1.5319139425081592
Energy: 1.5233773371651596
Energy: 1.579082334572179
Energy: 1.6568876922585212
Energy: 1.531846493375322
Energy: 1.5700055299784867
Energy: 1.5625850443241807
Energy: 1.5245985628172
Energy: 1.2795684658257493
Energy: 1.6378069148989942
Energy: 1.5555838779008295
Energy: 1.278740476025409
Energy: 1.5305719919329144
Energy: 1.511325341606825
Energy: 1.296051334683205
Energy: 1.596116278464943
Energy: 1.5441675162624882
Energy: 1.6012509278561176
Energy: 1.6669122340189644
Energy: 2.095534735502836
Energy: 1.598692674851581
Energy: 1.556881686971252
Energy: 1.63159528436894
Energy: 1.5147303646570651
Energy: 2.076005078468912
Energy: 2.0945484381870214
Energy: 1.645021047179709
Energy: 1.5902906272676383
Energy: 1.8918462687345048
Energy: 1.566885411854113
Energy: 1.6450183881581903
Energy: 1.251444861247635
Energy: 1.230386871539197
Energy: 1.885733206626401
Energy: 1.837543644933958
Energy: 1.6144701863311846
Energy: 1.2312105714375587
Energy: 1.2229267834137307
Energy: 1.2643568546674955
Energy: 1.5327525257608527
Energy: 2.0069365653749496
Energy: 1.2661705214796244
Energy: 1.2694888756172042
Energy: 1.2472287091196668
Energy: 1.2581338188138247
Energy: 1.6684161429341517
Energy: 1.8941247782699555
Energy: 1.2295127596511588
Energy: 1.2622393112905501
Energy: 1.235109594191708
Energy: 1.2288656778884424
Energy: 1.5962548883379641
Energy: 1.9708429270950794
Energy: 1.6016350776934598
Energy: 1.2678687577562966
Energy: 2.064889159813326
Energy: 1.6020022870697919
Energy: 1.5796000271394182
Energy: 1.970233753043547
Energy: 2.070804848434791
Energy: 1.6155915592203791

minimum gb energy = 1.2229267834137307 eV
minimum distance =  2.23413179305634 Angstroms
sigma value = 33


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

Energy: 2.5762479087775567
Energy: 2.0360454650977746
Energy: 1.7585467064346283
Energy: 1.7784369071287651
Energy: 1.781652638265181
Energy: 2.2011540537733145
Energy: 1.4341922858938325
Energy: 1.685650467284871
Energy: 1.7628909265237278
Energy: 1.7102114336319485
Energy: 1.6797578539871685
Energy: 2.114086199832998
Energy: 1.3494783711943832
Energy: 1.4358084008288508
Energy: 1.7676115545110194
Energy: 1.5069054980917316
Energy: 1.4334103221061303
Energy: 1.4614427565847057
Energy: 1.3264280634134937
Energy: 1.3609377554608717
Energy: 1.488094146044624
Energy: 1.7161442739973476
Energy: 1.4424157116081795
Energy: 1.3518182954546762
Energy: 1.3452504832483074
Energy: 1.3487692958716464
Energy: 1.3601445500370941
Energy: 1.7618439832835702
Energy: 1.3635689184488313
Energy: 1.3485335448770601
Energy: 1.3741635038864333
Energy: 1.3478141200721936
Energy: 2.1409235022868627
Energy: 2.234468602000255
Energy: 1.6559809892905064
Energy: 1.3482128682895869
Energy: 2.186479716354457
Energy: 1.363094258676879
Energy: 1.4001999484434737
Energy: 1.542539862354557
Energy: 1.8799366920110254
Energy: 1.5377850027804345
Energy: 2.1841604519705595
Energy: 1.438649156500256
Energy: 1.347507144961679
Energy: 1.3674249926743969
Energy: 1.3455368586381864
Energy: 1.9198581162398254
Energy: 1.853922864206624
Energy: 1.3568011155247812
Energy: 1.37672228640011
Energy: 1.3414954600059568
Energy: 1.3790370274779469
Energy: 1.799709303159795
Energy: 1.6964614534733318
Energy: 1.4616011292047808
Energy: 1.4294340964227097
Energy: 1.338828122951125
Energy: 1.433467192150497
Energy: 1.8110929179775064
Energy: 1.6950077667926524
Energy: 1.778706348667095
Energy: 1.4479297734826637
Energy: 1.3427210223471489
Energy: 1.4231334575168084
Energy: 1.7508462237784044
Energy: 1.7007093128600614
Energy: 1.6683258248826105
Energy: 1.88046578499589
Energy: 1.8631532651196325
Energy: 1.7924613896665391
Energy: 1.6948096661475447
Energy: 1.8863681411019175
Energy: 1.6691998183822738
Energy: 1.661299888232224
Energy: 1.8640959359396612
Energy: 1.8541729119195165
Energy: 1.8301897600636132
Energy: 1.8973381940666834
Energy: 2.0834853550302577
Energy: 1.1785843284558337
Energy: 1.1857523992811232
Energy: 1.1744114240073964
Energy: 1.972816705268703
Energy: 1.8596376682234297
Energy: 1.1757148526628474
Energy: 1.1686787241380867
Energy: 1.1623453735608915
Energy: 1.1698309022796087
Energy: 1.885840101106423
Energy: 1.99630393146842
Energy: 1.1645308988417455
Energy: 1.1758244096073323
Energy: 1.166817216795514
Energy: 1.178872930421108
Energy: 2.075515480134807
Energy: 1.7109810957648042
Energy: 1.1776425965051052
Energy: 1.1782067565282615
Energy: 1.1811711308023523
Energy: 1.177574983975853
Energy: 1.9591190739259903
Energy: 2.053085366724589
Energy: 1.7714261335648471
Energy: 2.0902090605262185
Energy: 1.1979251315333106
Energy: 2.0122353963863198
Energy: 1.7939717355490161
Energy: 1.7779178801591573
Energy: 1.7588039577005634
Energy: 2.089538466070039
Energy: 2.556791373421535
Energy: 1.730295294519801
Energy: 1.7584470355727162
Energy: 1.719608732726652
Energy: 1.7787092046052593
Energy: 1.687532983267264
Energy: 1.6449094874338313
Energy: 1.6812101933305386
Energy: 1.7163299532020957
Energy: 1.5052477871179557
Energy: 1.7800307435566336
Energy: 1.4404027923381921
Energy: 1.3622633892544427
Energy: 1.46716039228462
Energy: 1.755826852221081
Energy: 1.7225363990441498
Energy: 1.4729084998533577
Energy: 1.3539129352941055
Energy: 1.3394087821300416
Energy: 1.3619546469214876
Energy: 1.880333792396821
Energy: 1.853760429350206
Energy: 1.3635346782664381
Energy: 1.3486597482361204
Energy: 1.3469676088154903
Energy: 1.380400939276983
Energy: 1.3626271871626086
Energy: 2.236434932301593
Energy: 2.141131242980077
Energy: 1.376794949280629
Energy: 1.3747651077146101
Energy: 1.355525260248211
Energy: 2.096980546984676
Energy: 1.7665034948265368
Energy: 1.8848089144200835
Energy: 1.3509917770750786
Energy: 2.123062674553475
Energy: 1.3632549993373757
Energy: 1.5998131838249634
Energy: 1.3548942621396427
Energy: 1.346131049261333
Energy: 1.5565631411282803
Energy: 1.9265022354666665
Energy: 1.3478566279587167
Energy: 1.3759245468511012
Energy: 1.3331330213671713
Energy: 1.3713108478823008
Energy: 1.35593892505419
Energy: 1.7834927839584167
Energy: 1.3776483273619482
Energy: 1.3724111054958323
Energy: 1.334386435819295
Energy: 1.439720769871615
Energy: 1.469273224492395
Energy: 1.7010798942227738
Energy: 1.4581501192470727
Energy: 1.368446771803487
Energy: 1.356850226588257
Energy: 1.462090269435818
Energy: 1.7728848156590564
Energy: 1.7026925871041532
Energy: 1.7769587087007306
Energy: 1.3415556210605166
Energy: 1.9181518251438148
Energy: 1.629764100124619
Energy: 1.6686965460074612
Energy: 1.7096354674339058
Energy: 1.6684350367546856
Energy: 1.9481517433487983
Energy: 1.8629866229327248
Energy: 1.9739132195760274
Energy: 1.7188780369357621
Energy: 1.7552586258492258
Energy: 1.6805996404600456
Energy: 2.188226133734702
Energy: 1.1845941623717307
Energy: 1.1791598121614775
Energy: 1.7746204697655361
Energy: 1.9209325661782548
Energy: 1.9625292806177026
Energy: 1.1751817371075637
Energy: 1.162994819665637
Energy: 1.175497818643344
Energy: 1.3688950374602318
Energy: 1.8573024700805296
Energy: 1.1714832925300451
Energy: 1.1741941957231286
Energy: 1.1741952990538438
Energy: 1.1779506449174155
Energy: 1.6509246206686765
Energy: 1.9534174002209108
Energy: 1.1748652313281058
Energy: 1.1769178305987535
Energy: 1.1708510455608443
Energy: 1.1797442176233508
Energy: 1.5921436603067547
Energy: 2.04846784634274
Energy: 1.1776567495982373
Energy: 1.1964989643345214
Energy: 1.1992897652930534
Energy: 1.6254110205088568
Energy: 1.7720411144089736
Energy: 2.049537072680319
Energy: 2.096488395423574
Energy: 1.1787116409745881
Energy: 2.1829783858557583
Energy: 2.097929431464097
Energy: 1.7637405090558467
Energy: 1.7789677948270366
Energy: 1.7308171161523418
Energy: 1.8797857550871229

minimum gb energy = 1.1623453735608915 eV
minimum distance =  2.2905996664654 Angstroms
sigma value = 41


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

Energy: 1.9281118745070767
Energy: 1.9124911736423866
Energy: 1.3522051988265682
Energy: 1.3559092608871193
Energy: 1.3711586955732653
Energy: 2.015705626371812
Energy: 1.4110128923514336
Energy: 1.029221266586884
Energy: 1.3999240218265232
Energy: 1.4063786928708977
Energy: 1.0334880876641803
Energy: 1.425876655019137
Energy: 1.3991782718478527
Energy: 1.0297920623481642
Energy: 1.028740272526211
Energy: 0.9410076317852171
Energy: 1.0341436742582415
Energy: 1.4486963476245174
Energy: 1.440878376274316
Energy: 1.0377937497087317
Energy: 1.0348222322035052
Energy: 1.4311601761142954
Energy: 1.041233745804721
Energy: 1.497265003866289
Energy: 1.399609733442716
Energy: 1.4663458123119846
Energy: 1.500764799572629
Energy: 1.411131122663433
Energy: 1.4769855894207127
Energy: 1.328084346826997
Energy: 1.3534962141324611
Energy: 1.351856179748424
Energy: 1.334559391343103
Energy: 1.4344420920364798
Energy: 1.8977847201155316
Energy: 1.3526085487889357
Energy: 1.8436333789639827
Energy: 1.4858571111111947
Energy: 1.9920242673605424
Energy: 1.4229792178245557
Energy: 1.4926482948476518
Energy: 1.966751487019573
Energy: 1.8494261511034777
Energy: 1.0292413678347152
Energy: 1.3274428524010746
Energy: 1.3266870728847804
Energy: 1.334470401710514
Energy: 1.9968870714259963
Energy: 1.4112161678635347
Energy: 1.4663436582735563
Energy: 1.6455715624493445
Energy: 0.9399339533966184
Energy: 1.0291481108280416
Energy: 1.4654360705565004
Energy: 1.3984577071856314
Energy: 1.029265726475078
Energy: 1.0288046469026078
Energy: 1.426796827815888
Energy: 1.0287112773766418
Energy: 1.4735883005508181
Energy: 1.398062588036707
Energy: 1.4962405600653699
Energy: 1.0311239832371875
Energy: 1.4313716495932483
Energy: 1.036613430164109
Energy: 1.4904313867372956
Energy: 1.3251957323355972
Energy: 1.3203573879327204
Energy: 1.3996315103982637
Energy: 1.4988335296496358
Energy: 1.3286038214466305
Energy: 1.3273029506107956
Energy: 1.3204194896092603
Energy: 1.320019151019919
Energy: 1.9671669248449117
Energy: 1.4239917364230648
Energy: 1.4781761077632194
Energy: 1.3217004806093822
Energy: 1.9330561818080922
Energy: 1.4880949801631895
Energy: 1.3207576965023056
Energy: 1.3244515118030968
Energy: 1.3259446397901486
Energy: 2.0188097827244706

minimum gb energy = 0.9399339533966184 eV
minimum distance =  2.20950861534697 Angstroms
sigma value = 11


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

Energy: 2.2062558166737674
Energy: 1.7413798241927256
Energy: 1.69688035092275
Energy: 1.7564011186960662
Energy: 1.697590907462376
Energy: 2.1514622796142677
Energy: 1.3402679912881406
Energy: 1.6713206701295498
Energy: 1.716479630926836
Energy: 1.6311514420463296
Energy: 2.02631767929409
Energy: 1.2942632637116875
Energy: 1.2882386871183484
Energy: 1.2691485273433032
Energy: 1.5757016840517433
Energy: 1.7191210482874555
Energy: 1.6057636185104947
Energy: 1.2893689154656676
Energy: 1.2739339987253993
Energy: 1.2749888993659764
Energy: 1.2841937402256576
Energy: 1.680534757150257
Energy: 1.2838042597005257
Energy: 1.3164573693429376
Energy: 1.2996658170285158
Energy: 1.3315631369823322
Energy: 1.5848899744195089
Energy: 1.6921226285690645
Energy: 1.3191993132651447
Energy: 1.2899418719044242
Energy: 1.2971353146969946
Energy: 1.3237303631805917
Energy: 1.965874339894857
Energy: 1.8136352489449181
Energy: 1.5884858661349135
Energy: 1.2949108206712507
Energy: 1.7553398060938625
Energy: 1.5216633847555912
Energy: 1.6614903128207617
Energy: 1.638018891964812
Energy: 1.6043314766891867
Energy: 1.5458976886752385
Energy: 1.7442408487363823
Energy: 1.8836572021362872
Energy: 1.5281387642438238
Energy: 1.6568280048679576
Energy: 1.7512826414956941
Energy: 1.8916237624237975
Energy: 1.4341165505463507
Energy: 1.3992598449713514
Energy: 1.9601416116948798
Energy: 1.791568977201867
Energy: 2.00536761518812
Energy: 1.2843813091441223
Energy: 1.4282764748381713
Energy: 1.389519913475869
Energy: 1.5575627578156708
Energy: 1.7915414275485797
Energy: 1.6146985722065894
Energy: 1.3988224854564786
Energy: 1.4286292347437726
Energy: 1.5616922969804758
Energy: 1.4118476060570475
Energy: 1.4160580982515332
Energy: 1.5842839804165394
Energy: 1.516730740310257
Energy: 1.4257202873719879
Energy: 1.6405132823915896
Energy: 1.583619212835187
Energy: 1.4392815298357367
Energy: 1.6528162261499566
Energy: 1.5054873322220097
Energy: 1.529326667278
Energy: 1.7340404689832571
Energy: 1.5029187754851496
Energy: 1.4206680181208362
Energy: 1.5787898357809105
Energy: 1.4115559006454843
Energy: 1.7713266844761086
Energy: 1.3469864767119897
Energy: 1.410676957727159
Energy: 1.4325145435353492
Energy: 1.3819457702560534
Energy: 1.871778553517879
Energy: 1.5657367367375568
Energy: 2.021279786741574
Energy: 1.7583381573769186
Energy: 1.5634438729261098
Energy: 1.4000792469352175
Energy: 1.7183764018645715
Energy: 1.8039536896801516
Energy: 1.7165357996185333
Energy: 1.520792598270057
Energy: 2.2055064709397247
Energy: 1.7686208130817882
Energy: 1.7293623580713386
Energy: 1.6311416592992811
Energy: 1.7768316344281512
Energy: 1.6708528681915467
Energy: 1.394234597519654
Energy: 1.6462822232739225
Energy: 1.6050460048827067
Energy: 1.7147149690681704
Energy: 1.6306781729954511
Energy: 1.2969267538230527
Energy: 1.2938265824531425
Energy: 1.5458733925272468
Energy: 1.7363661861075819
Energy: 1.6696989596447038
Energy: 1.5510739936968876
Energy: 1.3165195625040975
Energy: 1.2735350696586167
Energy: 1.3266371589429617
Energy: 1.5983788087700723
Energy: 1.692726311160417
Energy: 1.3255867841688767
Energy: 1.3367236009459709
Energy: 1.28534586481579
Energy: 1.3260951960712046
Energy: 1.5885135606547334
Energy: 1.8113571412389347
Energy: 1.9737795967055902
Energy: 1.2786325335780988
Energy: 1.2932471367795355
Energy: 1.2739942106265567
Energy: 1.9653419001890875
Energy: 1.7003779743258702
Energy: 1.6323627608821372
Energy: 1.522893665954258
Energy: 1.7554979350402713
Energy: 1.9472875465973325
Energy: 1.639980628785861
Energy: 1.6954153823115294
Energy: 1.7518341732934288
Energy: 1.8498786927945057
Energy: 1.6550075802886566
Energy: 1.7520101240591193
Energy: 1.7333378638992736
Energy: 1.7922762098892757
Energy: 1.896905129742061
Energy: 1.4510330507264662
Energy: 1.3860285743681326
Energy: 1.9854428264078046
Energy: 1.781820622854378
Energy: 2.049854023489881
Energy: 1.6107229769516298
Energy: 1.3714443946343025
Energy: 1.3994240749503664
Energy: 1.3893689644268277
Energy: 1.709708252464937
Energy: 1.4126143213676614
Energy: 1.592609623006683
Energy: 1.5242063376148747
Energy: 1.4285451269254013
Energy: 1.5825902012433748
Energy: 1.4313476147997741
Energy: 1.4264805278138923
Energy: 1.65513541937128
Energy: 1.4974078321289677
Energy: 1.4298909441017387
Energy: 1.4899726822240174
Energy: 1.531273760581271
Energy: 1.420072827021454
Energy: 1.555141584748541
Energy: 1.362745924465088
Energy: 1.41950066686902
Energy: 1.6518895516938528
Energy: 1.420042638584803
Energy: 1.4175979432008146
Energy: 1.4100324123791117
Energy: 1.3813521450293886
Energy: 1.8882879538508595
Energy: 1.4010382963933987
Energy: 1.4118084891093703
Energy: 1.428630447294163
Energy: 1.7662147402664155
Energy: 2.1865017324309397
Energy: 1.6463640414408216
Energy: 2.029630568869421
Energy: 1.4107563075068383
Energy: 2.1523749002962784
Energy: 1.7755272562848357
Energy: 1.7340653441056562
Energy: 1.7609370410675709
Energy: 1.6638790957611913
Energy: 2.117777103288382

minimum gb energy = 1.2691485273433032 eV
minimum distance =  2.27476283140678 Angstroms
sigma value = 57


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

Energy: 2.2907050245520546
Energy: 1.6613315146999477
Energy: 1.6587183389131115
Energy: 1.5208112060658892
Energy: 1.6573041896005258
Energy: 2.124097737903137
Energy: 1.7893978066007303
Energy: 1.585789250276696
Energy: 1.6450744046818468
Energy: 1.6268883504076908
Energy: 1.5873354293813564
Energy: 1.5866542418004406
Energy: 1.3410750731101178
Energy: 1.536744027135788
Energy: 1.468257900445504
Energy: 1.4494202645884147
Energy: 1.467627281280006
Energy: 1.3399292004484018
Energy: 1.393786679526767
Energy: 1.4271115457198464
Energy: 1.783220452354406
Energy: 1.346390658755307
Energy: 1.536462363831792
Energy: 1.4323216517182293
Energy: 1.3612200699173829
Energy: 1.4367244329450775
Energy: 1.707294871990643
Energy: 1.6262718080746439
Energy: 1.7723105805030175
Energy: 1.4334331109371339
Energy: 1.3769704732279486
Energy: 1.4913973166763117
Energy: 1.8397290475677752
Energy: 1.6262359867695402
Energy: 1.6679754326483633
Energy: 1.6252089998376016
Energy: 1.7082153761408676
Energy: 1.9624623348929475
Energy: 1.5022230502927258
Energy: 1.5784157423704699
Energy: 1.4871479124994789
Energy: 1.9822367071985583
Energy: 1.7440842246022046
Energy: 1.6458149495059922
Energy: 1.654875695725046
Energy: 1.5150319710837896
Energy: 1.6379182306388202
Energy: 1.9629309459070707
Energy: 1.5395569444937567
Energy: 1.6030393252129775
Energy: 1.8311908105297463
Energy: 1.8926242571241232
Energy: 1.855797025314918
Energy: 1.3773391377953748
Energy: 1.5073643528844383
Energy: 1.589995305201947
Energy: 1.831339380108622
Energy: 1.9077940438004188
Energy: 1.4795327737268753
Energy: 1.3722745650086248
Energy: 1.34219903114464
Energy: 1.4676428093959468
Energy: 1.6138584261317492
Energy: 1.3773828504076437
Energy: 1.6251713413755744
Energy: 1.6054454411590513
Energy: 1.3411410421932661
Energy: 1.770598007301861
Energy: 1.4276558786070597
Energy: 1.3767788660917397
Energy: 1.5404740326244009
Energy: 1.6059610923840888
Energy: 1.6264597377780718
Energy: 1.7633143981715071
Energy: 1.433089585383607
Energy: 1.3578600746178884
Energy: 1.516204679739521
Energy: 1.797045668414892
Energy: 1.6273977727058007
Energy: 1.6690970124866693
Energy: 1.4338772753444078
Energy: 1.3774270167482363
Energy: 1.54634898917697
Energy: 1.8409875388582393
Energy: 1.579875515225052
Energy: 1.5034986314981973
Energy: 1.6248151979633993
Energy: 1.368107079498008
Energy: 1.8602206652250286
Energy: 1.502692238497991
Energy: 1.6366993510923475
Energy: 1.6485143338128065
Energy: 1.6450851303191403
Energy: 1.8840803560510626
Energy: 1.641341076972235
Energy: 1.610377725465846
Energy: 1.8505054643377228
Energy: 1.5018639561348932
Energy: 1.584693544823652
Energy: 1.6792489416143284
Energy: 1.588675699027377
Energy: 1.5071436926678226

minimum gb energy = 1.3399292004484018 eV
minimum distance =  2.23139661442941 Angstroms
sigma value = 9


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

Energy: 2.5117903634045677
Energy: 1.6598608733857592
Energy: 1.6266199102540269
Energy: 1.6083241822003962
Energy: 1.6297570124054923
Energy: 2.321529958430788
Energy: 1.5507561831114922
Energy: 1.6719932206427606
Energy: 1.6710882995056378
Energy: 1.6361362327562747
Energy: 1.6762146664818893
Energy: 1.6730021579883105
Energy: 1.4434587601528717
Energy: 1.5253250026920213
Energy: 1.5982539787155412
Energy: 1.5524290730971217
Energy: 1.6030559782372515
Energy: 1.444870844257886
Energy: 1.4310815385772546
Energy: 1.4808850018333852
Energy: 1.7507318232337916
Energy: 1.4381164129620763
Energy: 1.6837097520519828
Energy: 1.496929214911206
Energy: 1.5062175662240989
Energy: 1.569844155183706
Energy: 1.6158140085524157
Energy: 1.464161401957625
Energy: 1.6153179661692423
Energy: 1.5733784225280802
Energy: 1.574188413438411
Energy: 1.755534790429328
Energy: 1.5858944842027225
Energy: 1.479883705351347
Energy: 1.634382441009608
Energy: 1.7759482371477726
Energy: 1.7047648721384987
Energy: 1.6175179568650562
Energy: 1.5260567823531193
Energy: 1.4438646734292504
Energy: 1.5239975917177129
Energy: 1.7979175950291442
Energy: 1.7053880779360162
Energy: 1.922116960566533
Energy: 1.5253005862510536
Energy: 1.4490783137112526
Energy: 1.6017277749620389
Energy: 1.6402802970618227
Energy: 1.6131193923195388
Energy: 1.6567286520878564
Energy: 1.5759812322248679
Energy: 1.6687279180827772
Energy: 1.6168128903411003
Energy: 1.6571764129876605
Energy: 1.656174113885051
Energy: 1.6508380782874195
Energy: 1.5756078172633383
Energy: 1.7550312537866728
Energy: 1.5670631616193607
Energy: 1.6519153930852173
Energy: 2.0054735615883956
Energy: 1.9800294006807346
Energy: 1.6399351943990161
Energy: 1.6346789614539312
Energy: 1.6009514716520994
Energy: 1.8853998722144225
Energy: 2.007215605743893
Energy: 1.7348637160023073
Energy: 1.4481787126923953
Energy: 1.6267733081923883
Energy: 1.5762261419221157
Energy: 1.7892192932634146
Energy: 1.4436156101468067
Energy: 1.8102220329556173
Energy: 1.5737979101604092
Energy: 1.5485022068874812
Energy: 1.5752474562496621
Energy: 1.657366345742988
Energy: 1.466149827979805
Energy: 1.4777831871009033
Energy: 1.773987253086215
Energy: 1.4995571194065258
Energy: 1.5910517398008883
Energy: 1.4779182187354125
Energy: 1.449600195518
Energy: 1.5701078110218347
Energy: 1.7176912404830045
Energy: 1.4354422163123148
Energy: 1.7262766086568124
Energy: 1.511323873904038
Energy: 1.5226862471075984
Energy: 1.7099940679618253
Energy: 1.5693251532790082
Energy: 1.4797572681592852
Energy: 1.6247651051114735
Energy: 1.5984950787927772
Energy: 1.7053196168484357
Energy: 1.7533459614909463
Energy: 1.5321458615530155
Energy: 1.4515886144082304
Energy: 1.530319854692776
Energy: 1.7513669483106677
Energy: 1.7588063932518239
Energy: 1.5744003004202898
Energy: 1.5252719718620178
Energy: 1.454964574940486
Energy: 1.5247436840475408
Energy: 1.9278110318073094
Energy: 1.660831688492757
Energy: 1.6182964116533034
Energy: 1.671071076679935
Energy: 1.401738007751264
Energy: 1.591303215424669
Energy: 1.5840682694654578
Energy: 1.656328515788547
Energy: 1.6568408875390466
Energy: 1.6575981730525415
Energy: 1.893357074312911
Energy: 1.605533468158906
Energy: 1.6587376208940925
Energy: 1.88179214407086
Energy: 1.6715644719399312
Energy: 1.7792426481907893
Energy: 1.587414027103739
Energy: 1.6727004027253973
Energy: 1.6408303135717934

minimum gb energy = 1.401738007751264 eV
minimum distance =  2.22765920163218 Angstroms
sigma value = 27


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

Energy: 1.8049423655959786
Energy: 1.7083182985680243
Energy: 1.706932613933636
Energy: 1.618996277179489
Energy: 1.7064767715503906
Energy: 1.614837862261266
Energy: 1.6724254309621578
Energy: 1.70207873455324
Energy: 1.714030864759542
Energy: 1.7093225627550566
Energy: 1.788997846291257
Energy: 1.7540779815364946
Energy: 1.5804975560449166
Energy: 1.6543007156263654
Energy: 1.7709028687541049
Energy: 1.771443578248837
Energy: 1.6768844827740674
Energy: 1.5862323938748404
Energy: 1.5091725744261326
Energy: 1.518994067029635
Energy: 1.7258346398298259
Energy: 1.5560480326705588
Energy: 1.7355831419824168
Energy: 1.5110950165719883
Energy: 1.6597722519730025
Energy: 1.6985762160235829
Energy: 1.7090783312249678
Energy: 1.485131728797362
Energy: 1.6709749003394097
Energy: 1.6786692374640524
Energy: 1.760630625469715
Energy: 1.7323633473347475
Energy: 1.5513160918698987
Energy: 1.4919707719968596
Energy: 1.6804509089303827
Energy: 1.715161831155507
Energy: 1.6014579558715956
Energy: 1.6979163664447503
Energy: 1.6957565029853279
Energy: 1.5669683933562295
Energy: 1.6812605066752142
Energy: 1.7240163034741494
Energy: 1.5381338547016916
Energy: 1.6763696174062983
Energy: 1.7809230826366642
Energy: 1.6201909905805294
Energy: 1.7883262281944208
Energy: 1.487271034687102
Energy: 1.5612028757552512
Energy: 1.6119186269769696
Energy: 1.612627262958867
Energy: 1.6945443876957644
Energy: 1.6123062777810593
Energy: 1.6118042293810622
Energy: 1.450486667246097
Energy: 1.4470823863574942
Energy: 1.7065997429249122
Energy: 1.6577177961417513
Energy: 1.6278186633437146
Energy: 1.4725010041745923
Energy: 1.8923041080175134
Energy: 1.6907925842319684
Energy: 1.8228551730836156
Energy: 1.7353290815248084
Energy: 1.822721101480037
Energy: 1.6763215803748206
Energy: 1.8321525009029347
Energy: 1.6999366675782694
Energy: 1.9321709801705416
Energy: 1.808068247613063
Energy: 1.7990213167698923
Energy: 1.483916300237897
Energy: 1.4346808983324106
Energy: 1.517513368654726
Energy: 1.5207142975518115
Energy: 1.5680346316621774
Energy: 1.457485473246656
Energy: 1.519668862879803
Energy: 1.4940665044859016
Energy: 1.495436154708506
Energy: 1.795134740132265
Energy: 1.6594743038070316
Energy: 1.5192488217585078
Energy: 1.5026114389981418
Energy: 1.690818848267157
Energy: 1.7823954758521983
Energy: 1.8123478857184712
Energy: 1.694289500529211
Energy: 1.7684665126303607
Energy: 1.786601595604312
Energy: 1.663086251603187
Energy: 1.7449473269151667
Energy: 1.455994934915969
Energy: 1.5536069157342869
Energy: 1.7141910127143427
Energy: 1.7255671995374566
Energy: 1.4151508668780999
Energy: 1.6525033896439907
Energy: 1.6976369308332604
Energy: 1.4701042240199087
Energy: 1.6008083020771429
Energy: 1.4473350437902943
Energy: 1.5856488477247697
Energy: 1.566843421131614
Energy: 1.7220109359673486
Energy: 1.5059870570509635
Energy: 1.6412123363252433
Energy: 1.5733977376265655
Energy: 1.478659289854952
Energy: 1.652516819195673
Energy: 1.7417482965924538
Energy: 1.5973769643317284
Energy: 1.7127674646768358
Energy: 1.567749875570508
Energy: 1.6398921599037075
Energy: 1.6986489444128638
Energy: 1.6694641835046742
Energy: 1.5600232716577098
Energy: 1.684341110118865
Energy: 1.7542918107290544
Energy: 1.6277510348864628
Energy: 1.806724927446194
Energy: 1.6331176975813195
Energy: 1.5145298336073323
Energy: 1.602754241511065
Energy: 1.807606072972497
Energy: 1.5357761554663505
Energy: 1.7092918257411673
Energy: 1.676414582065565
Energy: 1.464660443051788
Energy: 1.663599823056358
Energy: 1.6984766846280415
Energy: 1.7192634602147108
Energy: 1.7130713406603644
Energy: 1.6417966807308062
Energy: 1.8913708594562673
Energy: 1.6845706929456874
Energy: 1.7795120912991882
Energy: 1.6903257168392605
Energy: 1.692557318585182
Energy: 1.7840213509388034
Energy: 1.733369585582667
Energy: 1.6936142722368661
Energy: 1.692554958924216
Energy: 1.8028123136352807
Energy: 1.7145804702072736
Energy: 1.5049310184228617
Energy: 1.6091239547869514
Energy: 1.6566179521200857
Energy: 1.7044580764829578

minimum gb energy = 1.4151508668780999 eV
minimum distance =  2.20142027152627 Angstroms
sigma value = 19


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

Energy: 1.8883713461174105
Energy: 1.5758679581563892
Energy: 1.5720219366759456
Energy: 1.684091823266485
Energy: 1.574901158657598
Energy: 1.6279352549327775
Energy: 1.5389909373501653
Energy: 1.6239084835219426
Energy: 1.493057828051216
Energy: 1.6532304439192307
Energy: 1.4923397083319474
Energy: 1.6213704901599946
Energy: 1.5477753552873803
Energy: 1.627062098638526
Energy: 1.7439513287425348
Energy: 1.7606237940016685
Energy: 1.6390988505819841
Energy: 1.444793465126128
Energy: 1.486520258661265
Energy: 1.4413550596232925
Energy: 1.703607876238697
Energy: 1.6390014397838564
Energy: 1.6974719955650772
Energy: 1.4417689550128268
Energy: 1.7148247926186784
Energy: 1.6270345755800617
Energy: 1.628786366142338
Energy: 1.4964338558695767
Energy: 1.6192133806254851
Energy: 1.6430264214802444
Energy: 1.4412118358614014
Energy: 1.680497150689386
Energy: 1.4201460128270023
Energy: 1.4171386589535078
Energy: 1.6021253852533988
Energy: 1.649325210029898
Energy: 1.4747766070779669
Energy: 1.5850385709172845
Energy: 1.5886325827414496
Energy: 1.6073424172288173
Energy: 1.5629488681040777
Energy: 1.5799562431831933
Energy: 1.4272162861341509
Energy: 1.5649841619333982
Energy: 1.6542016482600808
Energy: 1.5975617978846666
Energy: 1.6423042755065005
Energy: 1.4188410445611348
Energy: 1.5065191881711872
Energy: 1.5101436334765663
Energy: 1.655287698393191
Energy: 1.510478248807655
Energy: 1.6418234513980332
Energy: 1.4855797647806113
Energy: 1.4484252568900517
Energy: 1.715203194077147
Energy: 1.53122932946613
Energy: 1.5161354169268666
Energy: 1.7036430715013868
Energy: 1.6163176303148656
Energy: 1.5078528407727556
Energy: 1.6692526247879473
Energy: 1.6104169691075154
Energy: 1.5013867950853794
Energy: 1.6151158792592355
Energy: 1.6679472605845957
Energy: 1.754296959884769
Energy: 1.6782184982691173
Energy: 1.3440514889321733
Energy: 1.4160704389113556
Energy: 1.507066032705524
Energy: 1.7599644339505867
Energy: 1.7040252649387109
Energy: 1.6788510501145393
Energy: 1.8299324597991742
Energy: 1.8190058362378105
Energy: 1.7219319680724474
Energy: 1.683961676465746
Energy: 1.7911660940650114
Energy: 1.3856708671411477
Energy: 1.4783679895636401
Energy: 1.8470394178795555
Energy: 1.7021721221768704
Energy: 1.7520829497834898
Energy: 1.536593449144217
Energy: 1.565823779573518
Energy: 1.5656337875983206
Energy: 1.4005226688897021
Energy: 1.5088227275446706
Energy: 1.5245454553846394
Energy: 1.5550480422445165
Energy: 1.7158886274001688
Energy: 1.4509836119075978
Energy: 1.5300529653996544
Energy: 1.3533724748910763
Energy: 1.7156631703262728
Energy: 1.6340027946348652
Energy: 1.6474965475358074
Energy: 1.769210001854925
Energy: 1.5854969496439126
Energy: 1.7113440824122228
Energy: 1.6184775530529059
Energy: 1.5099935449823083
Energy: 1.4019350111712146
Energy: 1.730582669656377
Energy: 1.6238319929105356
Energy: 1.7133615333228502
Energy: 1.4951425601814503
Energy: 1.4473568057874473
Energy: 1.625573361910364
Energy: 1.5808875541676015
Energy: 1.3360296216830323
Energy: 1.573481181664097
Energy: 1.628673716488634
Energy: 1.4666417162590437
Energy: 1.6764830892383336
Energy: 1.5368650623693676
Energy: 1.5188283375251166
Energy: 1.6003110422577433
Energy: 1.6752482300102562
Energy: 1.5009992293434273
Energy: 1.5628769940828116
Energy: 1.5672176627924892
Energy: 1.4131413162402244
Energy: 1.572207981210092
Energy: 1.6398139057906778
Energy: 1.4175036580876863
Energy: 1.574438749021965
Energy: 1.6320505043385753
Energy: 1.463539094856914
Energy: 1.6221493269056364
Energy: 1.5576084701701074
Energy: 1.4585784664786987
Energy: 1.4993908106261737
Energy: 1.7192853401386399
Energy: 1.507143107094306
Energy: 1.6311081749791565
Energy: 1.4860133362822483
Energy: 1.5577664266305384
Energy: 1.6477335089955116
Energy: 1.662060993824308
Energy: 1.517711575752789
Energy: 1.6526944589966936
Energy: 1.5735388883559345
Energy: 1.539589668859464
Energy: 1.6716086416122045
Energy: 1.6125957666456314
Energy: 1.4943183588122095
Energy: 1.6173100723586722
Energy: 1.784688154453307
Energy: 1.508292924815436
Energy: 1.7197540774913198
Energy: 1.5438523583651629
Energy: 1.487017231557053
Energy: 1.6740170066539928
Energy: 1.6844805785176604
Energy: 1.645486557696495
Energy: 1.4607098805894947
Energy: 1.6636113032705044
Energy: 1.8183806871833592
Energy: 1.6627733769431752
Energy: 1.6747880801301573
Energy: 1.63003677264406
Energy: 1.6295837569871854
Energy: 1.7312202586582552
Energy: 1.8469910598301809
Energy: 1.6124741522048316
Energy: 1.6304749067959337
Energy: 1.6464484294937598
Energy: 1.7346788179196695
Energy: 1.4766503711070706
Energy: 1.5960705169997358
Energy: 1.5758091472165487
Energy: 1.7665508354994583

minimum gb energy = 1.3360296216830323 eV
minimum distance =  2.19030146479889 Angstroms
sigma value = 101


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

Energy: 1.7485563173565013
Energy: 1.669936649611415
Energy: 1.5306922635008506
Energy: 1.6254416498761837
Energy: 1.6214499521932415
Energy: 1.7694310509482043
Energy: 1.4394639834067342
Energy: 1.6694908958903631
Energy: 1.594746250487016
Energy: 1.4373486380587992
Energy: 1.6639276012868602
Energy: 1.647858516290111
Energy: 1.427941127258149
Energy: 1.436310168769463
Energy: 1.7085500433796197
Energy: 1.7180488281018427
Energy: 1.5850978791147636
Energy: 1.4348305359565612
Energy: 1.4760860587359566
Energy: 1.3462052818685812
Energy: 1.540768505148821
Energy: 1.449452260975665
Energy: 1.6472269800606223
Energy: 1.4597904405069266
Energy: 1.5804908724859552
Energy: 1.5888960594979835
Energy: 1.4587267202398866
Energy: 1.3539899440155294
Energy: 1.5864680189417053
Energy: 1.5545217091204189
Energy: 1.4982909930801798
Energy: 1.6147767583496315
Energy: 1.368975084615696
Energy: 1.35067765420532
Energy: 1.4911849605683136
Energy: 1.4504866337306936
Energy: 1.333661311783308
Energy: 1.51046027095581
Energy: 1.497259749798774
Energy: 1.5934094756818111
Energy: 1.50831767432013
Energy: 1.5057917201362245
Energy: 1.3233458686081512
Energy: 1.474833001099679
Energy: 1.5970785224352886
Energy: 1.3798207056891976
Energy: 1.5931400998261163
Energy: 1.296360065865717
Energy: 1.315681829745997
Energy: 1.500935424924152
Energy: 1.512619510413655
Energy: 1.3504240396269365
Energy: 1.4970704301774211
Energy: 1.5086162537240584
Energy: 1.4137345744891863
Energy: 1.5679170168868861
Energy: 1.4829086393322868
Energy: 1.3681511396699422
Energy: 1.5802936785109003
Energy: 1.453750752789475
Energy: 1.4567172895161054
Energy: 1.6099928137129238
Energy: 1.5009264158523874
Energy: 1.419733168347936
Energy: 1.5913758003636933
Energy: 1.6114902081703095
Energy: 1.4320263104961817
Energy: 1.621281671041701
Energy: 1.619232115810136
Energy: 1.5461016878351794
Energy: 1.6348485552719014
Energy: 1.4320221729047247
Energy: 1.43458076440936
Energy: 1.433576006910861
Energy: 1.6443009187787911
Energy: 1.5152162825346716
Energy: 1.591236491174688
Energy: 1.4343689612608146
Energy: 1.4290327574000854
Energy: 1.5280421054048396
Energy: 1.3441610064802485
Energy: 1.4739579418039348
Energy: 1.6428704098613345
Energy: 1.5083156411684622
Energy: 1.6504254389266952
Energy: 1.6398511591162523
Energy: 1.6206831388941532
Energy: 1.6211613267486806
Energy: 1.6211862170805753
Energy: 1.6388772010279995
Energy: 1.6506470122367614
Energy: 1.853035196392684
Energy: 1.3393207203141742
Energy: 1.5701402178628663
Energy: 1.6404247923984807
Energy: 1.6393910938357719
Energy: 1.636627837770575
Energy: 1.3399645945712106
Energy: 1.502319919260702
Energy: 1.5035426365289737
Energy: 1.5925841756027312
Energy: 1.4976624149116107
Energy: 1.630663506911981
Energy: 1.6625549920454779
Energy: 1.3676466430057388
Energy: 1.6967580235170578
Energy: 1.6026863399293318
Energy: 1.4380141433180034
Energy: 1.5480925292227237
Energy: 1.7034134125640301
Energy: 1.498752424615895
Energy: 1.4274587594748422
Energy: 1.4346777489105182
Energy: 1.69304261257269
Energy: 1.502027140060417
Energy: 1.642769009958321
Energy: 1.4640035294425633
Energy: 1.346478950346847
Energy: 1.4627608821823952
Energy: 1.593461828353885
Energy: 1.5280087081858453
Energy: 1.5862031286671678
Energy: 1.6144180079412866
Energy: 1.5403292266274784
Energy: 1.5898205592693548
Energy: 1.614746773631742
Energy: 1.3427271277927624
Energy: 1.4559683530235852
Energy: 1.6332143218897823
Energy: 1.4754183807286372
Energy: 1.6024302370158132
Energy: 1.347493972008412
Energy: 1.3495628870450405
Energy: 1.5041580173636486
Energy: 1.509915446479827
Energy: 1.315647957089026
Energy: 1.4975795454068963
Energy: 1.5103092943015592
Energy: 1.3857331758640794
Energy: 1.5892915254177555
Energy: 1.4753628534269834
Energy: 1.2955154832683555
Energy: 1.488298365241997
Energy: 1.5860886183287821
Energy: 1.3517842095007446
Energy: 1.4968100013616115
Energy: 1.5358351924303233
Energy: 1.2949836807960318
Energy: 1.5071536556165976
Energy: 1.584082332424648
Energy: 1.3495468916600175
Energy: 1.5114358580570766
Energy: 1.5486680404788808
Energy: 1.2961681237233122
Energy: 1.5308745264788708
Energy: 1.5246412428999367
Energy: 1.3492903932024705
Energy: 1.4187311572305688
Energy: 1.6098741587488952
Energy: 1.4571408935374581
Energy: 1.5861047672073472
Energy: 1.4531681710184317
Energy: 1.3505911362268985
Energy: 1.6180171308002456
Energy: 1.6241789766433055
Energy: 1.4307595750681168
Energy: 1.6133992995197883
Energy: 1.4829554384716697
Energy: 1.4738691076019848
Energy: 1.6414790186839205
Energy: 1.4333387203986556
Energy: 1.434271464657442
Energy: 1.4857972683787501
Energy: 1.6423580844622474
Energy: 1.4598835409156066
Energy: 1.6259257124425
Energy: 1.5037248255355444
Energy: 1.4290363850805712
Energy: 1.5046554062580788
Energy: 1.5920422390433648
Energy: 1.5571494100830257
Energy: 1.5407369584650237
Energy: 1.6265798729846004
Energy: 1.6503806173907143
Energy: 1.4371844023100107
Energy: 1.6567030832445924
Energy: 1.5534439805555165
Energy: 1.5365827817237654
Energy: 1.6269569902795349
Energy: 1.607572436112764
Energy: 1.437861286844467
Energy: 1.531104045763933
Energy: 1.5459936927549482
Energy: 1.6519720099041963
Energy: 1.340110848392459
Energy: 1.6375713543936599
Energy: 1.5399413472940824
Energy: 1.5062775577750733

minimum gb energy = 1.2949836807960318 eV
minimum distance =  2.24145453596838 Angstroms
sigma value = 33


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

Energy: 0.014918489113446098
Energy: 0.08182383941542755
Energy: 0.07946852279564866
Energy: 0.080359273841401
Energy: 0.08128837554805224
Energy: 0.015805420721952637
Energy: 0.1142438501540864
Energy: 0.11435378477487196
Energy: 0.11486137697305011
Energy: 0.11509156460233347
Energy: 0.11417078494435554
Energy: 0.11502808426937804
Energy: 0.8829769186864845
Energy: 0.08213169381734017
Energy: 0.015577341170927898
Energy: 0.01676862169039659
Energy: 0.08058644051415483
Energy: 0.07983638369803372
Energy: 0.015083704330419579
Energy: 0.11435378477558042
Energy: 0.11486137697234163
Energy: 0.11509156460162497
Energy: 0.11417078494435554
Energy: 0.1150280842687089

minimum gb energy = 0.014918489113446098 eV
minimum distance =  2.45089870275967 Angstroms
sigma value = 1