Model name: model_name=MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349977833563
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.018146669591315834
Energy: 0.018404676599385772
Energy: 1.4669370161736601
Energy: 0.018404676599385772
Energy: 0.018404676599385772
Energy: 1.2243205855164925
Energy: 0.018404676599385772
Energy: 1.2243205855171535
Energy: 1.4669370161749455
Energy: 0.018404676599385772
Energy: 0.018146669591315834
Energy: 0.018404676599385772
Energy: 0.018404676599385772
Energy: 1.2243205855171535
Energy: 0.018404676599385772
Energy: 1.2243205855171535

minimum gb energy = 0.018146669591315834 eV
minimum distance =  2.42645585567566 Angstroms
sigma value = 1


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

Energy: 1.568371480456595
Energy: 1.5483788699025256
Energy: 1.4556493448684675
Energy: 1.5483788699025256
Energy: 1.4453902420193745
Energy: 1.4949933917512908
Energy: 1.4530573512071039
Energy: 1.4949933917504892
Energy: 1.4030913290841938
Energy: 1.5344869038868074
Energy: 1.4888373426922363
Energy: 1.5344869038876088
Energy: 1.436978114295548
Energy: 1.5070862014078745
Energy: 1.401583777231237
Energy: 1.507086201408676
Energy: 1.4090089623012176
Energy: 1.5545761841380894
Energy: 1.4702485719302003
Energy: 1.5545761841372876
Energy: 1.3783672816941512
Energy: 1.718714632224146
Energy: 1.3768915966355835
Energy: 1.718714632224146
Energy: 1.4493581436519205
Energy: 1.5319393524143219
Energy: 1.3800390609671531
Energy: 1.5319393524143219
Energy: 1.32091325370802
Energy: 1.5575996471164888
Energy: 1.3764567320838113
Energy: 1.5575996471172906
Energy: 1.4007393791676597
Energy: 1.7368694734866539
Energy: 1.46076882698873
Energy: 1.7368694734850505
Energy: 1.365035588027662
Energy: 1.533176822726399
Energy: 1.313018079408601
Energy: 1.533176822726399
Energy: 1.4731104422268446
Energy: 1.5133799689093315
Energy: 1.400697736971821
Energy: 1.513379968910133
Energy: 1.4634862001282738
Energy: 1.5548716707955055
Energy: 1.380843155240838
Energy: 1.5548716707963073
Energy: 1.4509485330087017
Energy: 1.5305684057561277
Energy: 1.447943517532964
Energy: 1.5305684057561277
Energy: 1.4173348401200103
Energy: 1.5392512368229716
Energy: 1.3897759838125294
Energy: 1.5392512368237732
Energy: 1.4310051656062892
Energy: 1.549359540061867
Energy: 1.4450630982175952
Energy: 1.549359540061867
Energy: 1.429154182685072
Energy: 1.5488487650389562
Energy: 1.4444826138950284
Energy: 1.5488487650389562
Energy: 1.4890310178932942
Energy: 1.5344855256482535
Energy: 1.3589373727711167
Energy: 1.5344855256482535
Energy: 1.4530421169642604
Energy: 1.5033811978788685
Energy: 1.4838668061552127
Energy: 1.5033811978796703
Energy: 1.3348963139768846
Energy: 1.5541552005435775
Energy: 1.3792821943140805
Energy: 1.5541552005435775
Energy: 1.4836324937057574
Energy: 1.7155820093750367
Energy: 1.4031585970558296
Energy: 1.71558200937664
Energy: 1.3798982084144622
Energy: 1.5345799088723668
Energy: 1.3258998600730314
Energy: 1.5345799088731684
Energy: 1.4010575657281636
Energy: 1.4249400902067668
Energy: 1.4627997501040735
Energy: 1.424940090205965
Energy: 1.4312387813163494
Energy: 1.5545557114676596
Energy: 1.3633971639434195
Energy: 1.554555711466858
Energy: 1.4138035257171078
Energy: 1.530354404114165
Energy: 1.378308443457917
Energy: 1.530354404114165
Energy: 1.3800304756901014
Energy: 1.7189266549543372
Energy: 1.4481578955606558
Energy: 1.7189266549543372
Energy: 1.4057784750888178
Energy: 1.555462599662225
Energy: 1.3946161008176996
Energy: 1.555462599662225
Energy: 1.440607001383798
Energy: 1.7472174774943054
Energy: 1.4006293672111454
Energy: 1.7472174774943054
Energy: 1.3913184793668802
Energy: 1.530548766557893
Energy: 1.5459706681244207
Energy: 1.530548766557893
Energy: 1.444214986034252
Energy: 1.4913144888103593
Energy: 1.4477475734368217
Energy: 1.491314488811161
Energy: 1.5149434315336485
Energy: 1.5500371417670031
Energy: 1.4633155518269398
Energy: 1.5500371417670031
Energy: 1.4494429074448298
Energy: 1.5378067511938016
Energy: 1.450912690193146
Energy: 1.5378067511938016
Energy: 1.4157010609908423
Energy: 1.5297164400810896
Energy: 1.4168168574679991
Energy: 1.5297164400810896
Energy: 1.408794421529203
Energy: 1.507695131526064
Energy: 1.4060161632480606
Energy: 1.5076951315268659

minimum gb energy = 1.313018079408601 eV
minimum distance =  2.24139067186452 Angstroms
sigma value = 1


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

Energy: 1.6646000658165496
Energy: 1.6474104776328082
Energy: 1.548036146474124
Energy: 1.6474104776328082
Energy: 1.4951014011545845
Energy: 1.5878676695499405
Energy: 1.51091154794814
Energy: 1.5878676695481124
Energy: 1.4562655371773343
Energy: 1.6505577745530802
Energy: 1.5317090132008704
Energy: 1.6505577745558222
Energy: 1.448691248340356
Energy: 1.463244077128763
Energy: 1.433229971669032
Energy: 1.463244077128763
Energy: 1.448783417660213
Energy: 1.6198576732776422
Energy: 1.5048630925953044
Energy: 1.6198576732749
Energy: 1.5505673990601283
Energy: 1.6199917212954118
Energy: 1.532074889933344
Energy: 1.619991721298154
Energy: 1.4950700242495847
Energy: 1.4636731475939906
Energy: 1.4528654528211995
Energy: 1.4636731475949047
Energy: 1.3669791692488364
Energy: 1.6511013949567783
Energy: 1.4208422140285644
Energy: 1.6511013949567783
Energy: 1.4493771707083465
Energy: 2.0806126917485686
Energy: 1.5504651976844857
Energy: 2.0806126917485686
Energy: 1.4373715042565902
Energy: 1.6506352110367115
Energy: 1.5061583200072575
Energy: 1.6506352110376257
Energy: 1.496223643365134
Energy: 1.5678187646580768
Energy: 1.5180948945855435
Energy: 1.5678187646571626
Energy: 1.4093943350939
Energy: 1.6319499334034826
Energy: 1.4787006989221962
Energy: 1.6319499334034826
Energy: 1.5349502275915563
Energy: 1.6144916654638686
Energy: 1.5007711441405773
Energy: 1.6144916654638686
Energy: 1.5348695011908107
Energy: 1.6145149966098948
Energy: 1.4600956247099188
Energy: 1.6145149966098948
Energy: 1.4092307924052452
Energy: 1.6319306375686249
Energy: 1.573453808446429
Energy: 1.6319306375677107
Energy: 1.4960845098872333
Energy: 1.5676704029538826
Energy: 1.510764452545439
Energy: 1.5676704029538826
Energy: 1.4376100881975469
Energy: 1.6503653354977215
Energy: 1.3902416540760891
Energy: 1.6503653354968073
Energy: 1.449540657777399
Energy: 2.080669891559895
Energy: 1.5503663980754838
Energy: 2.080669891560809
Energy: 1.3669609752028558
Energy: 1.6504150881366075
Energy: 1.4208915321934366
Energy: 1.6504150881356934
Energy: 1.495024750529409
Energy: 1.4634934719928776
Energy: 1.4330103649501662
Energy: 1.4634934719937918
Energy: 1.5504769497292716
Energy: 1.6200156811190463
Energy: 1.4027788191642545
Energy: 1.6200156811208744
Energy: 1.4490225790866123
Energy: 1.6198840359486368
Energy: 1.5061874189697229
Energy: 1.619884035947723
Energy: 1.4488516855004705
Energy: 1.463182181561005
Energy: 1.4303164777950823
Energy: 1.463182181561005
Energy: 1.456273350054368
Energy: 1.6505762363896785
Energy: 1.5765075367685593
Energy: 1.6505762363896785
Energy: 1.4952525574965272
Energy: 1.5937149201312646
Energy: 1.510672011355648
Energy: 1.5937149201303504
Energy: 1.6646000658165496
Energy: 1.6474104776328082
Energy: 1.548036146475038
Energy: 1.6474104776328082
Energy: 1.4951014011545845
Energy: 1.5878676695499405
Energy: 1.51091154794814
Energy: 1.5878676695453704
Energy: 1.4562655371773343
Energy: 1.6505577745530802
Energy: 1.4788942445811686
Energy: 1.6505577745558222
Energy: 1.448691248339442
Energy: 1.4632440771296764
Energy: 1.433229971669032
Energy: 1.463244077128763

minimum gb energy = 1.3669609752028558 eV
minimum distance =  2.23887520025155 Angstroms
sigma value = 25


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

Energy: 1.5624149363464799
Energy: 1.7144424600773942
Energy: 1.7057430389723507
Energy: 1.7144424600773942
Energy: 1.5882809158537101
Energy: 1.6419887472138501
Energy: 1.5242916691102313
Energy: 1.6419887472127876
Energy: 1.530477044159454
Energy: 1.7695184519177973
Energy: 1.5312302156378435
Energy: 1.7695184519177973
Energy: 1.5327993034798397
Energy: 1.5399585693147377
Energy: 1.486051377461837
Energy: 1.5399585693147377
Energy: 1.4869602209491533
Energy: 1.7421491010801091
Energy: 1.5840018306058061
Energy: 1.7421491010801091
Energy: 1.6386388492874753
Energy: 1.7677287996733757
Energy: 1.7469648555161328
Energy: 1.7677287996733757
Energy: 1.5862494353144947
Energy: 1.5252151471705464
Energy: 1.5246573940555137
Energy: 1.525215147171609
Energy: 1.745277249875467
Energy: 1.721708269244164
Energy: 1.4439306099081735
Energy: 1.7217082692431016
Energy: 1.524525696516696
Energy: 1.641498946364862
Energy: 1.5860290501237038
Energy: 1.6414989463659244
Energy: 1.5267793923546782
Energy: 1.768296636052819
Energy: 1.4762761208618467
Energy: 1.768296636052819
Energy: 1.5833009627085342
Energy: 1.7120763023112942
Energy: 1.5859808773388155
Energy: 1.7120763023112942
Energy: 1.5487289528451962
Energy: 1.714292760549558
Energy: 1.5230926354018877
Energy: 1.714292760549558
Energy: 1.5309616053830064
Energy: 1.6616344388021584
Energy: 1.4743231373390975
Energy: 1.6616344388021584
Energy: 1.524121580717179
Energy: 1.630177318964116
Energy: 1.5979078993118572
Energy: 1.6301773189630533
Energy: 1.5847902379938612
Energy: 1.7239161769061444
Energy: 1.442610488796906
Energy: 1.7239161769061444
Energy: 1.5865780859844738
Energy: 1.5338452762498913
Energy: 1.486119448366665
Energy: 1.5338452762498913
Energy: 1.4222971356794423
Energy: 1.769731627225689
Energy: 1.422142189977939
Energy: 1.769731627225689
Energy: 1.4856450373984424
Energy: 1.6517114751368187
Energy: 1.585344223896826
Energy: 1.6517114751357562
Energy: 1.5177316006453232
Energy: 1.6725382912889586
Energy: 1.4867874358185509
Energy: 1.6725382912889586
Energy: 1.5984661997465868
Energy: 1.7673046215116632
Energy: 1.532964827536618
Energy: 1.7673046215116632
Energy: 1.5341926538142936
Energy: 1.6411615375302364
Energy: 1.5232320054873438
Energy: 1.6411615375302364
Energy: 1.5636522259083419
Energy: 1.7156557109102064
Energy: 1.6500040529970776
Energy: 1.7156557109102064
Energy: 1.5863812331431701
Energy: 1.6520827007358814
Energy: 1.523093311587832
Energy: 1.6520827007348189
Energy: 1.5283395378951432
Energy: 1.767928603283082
Energy: 1.5270270759545084
Energy: 1.7679286032820196
Energy: 1.5869083999559304
Energy: 1.539620790874498
Energy: 1.487016278663312
Energy: 1.539620790874498

minimum gb energy = 1.422142189977939 eV
minimum distance =  2.23553404738605 Angstroms
sigma value = 9


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

Energy: 1.6298644545985967
Energy: 1.6301340497468115
Energy: 1.8793085120121142
Energy: 1.6301340497468115
Energy: 1.5688721051068482
Energy: 1.7266206328961102
Energy: 1.5892061344527124
Energy: 1.7266206328961102
Energy: 1.6050787606381027
Energy: 1.646964210328377
Energy: 1.6226381547543562
Energy: 1.6469642103271098
Energy: 1.899064318510753
Energy: 1.6144300028304759
Energy: 1.5197273849403496
Energy: 1.6144300028292082
Energy: 1.7338350892858556
Energy: 1.727770842392342
Energy: 1.8787202390666233
Energy: 1.727770842392342
Energy: 1.4686374654907626
Energy: 1.6459948501167934
Energy: 1.6404963259493195
Energy: 1.6459948501180608
Energy: 1.5841629067801766
Energy: 1.518912056855694
Energy: 1.5199471314357065
Energy: 1.518912056854426
Energy: 1.666636853560329
Energy: 1.6458976157554732
Energy: 1.5021241289831526
Energy: 1.6458976157567407
Energy: 1.5850084538593263
Energy: 1.7265401916917993
Energy: 1.6879260059993426
Energy: 1.7265401916917993
Energy: 1.623117505128802
Energy: 1.6307670574831827
Energy: 1.6408474810480038
Energy: 1.6307670574831827
Energy: 1.528411224483567
Energy: 1.7432612719936698
Energy: 1.6055901494238947
Energy: 1.7432612719949376
Energy: 1.6247110343305688
Energy: 1.7165447368905995
Energy: 1.5199142706970166
Energy: 1.7165447368905995
Energy: 1.4683433320146637
Energy: 1.6470652924843474
Energy: 1.6646526321146164
Energy: 1.64706529248308
Energy: 1.6027309595025991
Energy: 1.6014942607884994
Energy: 1.5881939459743817
Energy: 1.6014942607884994
Energy: 1.4683545671957885
Energy: 1.6470801829011226
Energy: 1.6669481673994073
Energy: 1.6470801829011226
Energy: 1.6248074617162833
Energy: 1.7164354353411035
Energy: 1.5201381044669335
Energy: 1.7164354353398361
Energy: 1.528652101003376
Energy: 1.7432857915045281
Energy: 1.6200772597248725
Energy: 1.7432857915032605
Energy: 1.6231514949876191
Energy: 1.6305777791153186
Energy: 1.6410062347131662
Energy: 1.630577779114051
Energy: 1.5848223108074395
Energy: 1.7268996620669876
Energy: 1.589371950872729
Energy: 1.7268996620669876
Energy: 1.6668167201560402
Energy: 1.6461403489358435
Energy: 1.5021202684478507
Energy: 1.6461403489358435
Energy: 1.5840349209655176
Energy: 1.5190116848164539
Energy: 1.5201340020115501
Energy: 1.5190116848164539

minimum gb energy = 1.4683433320146637 eV
minimum distance =  2.3286550149359 Angstroms
sigma value = 25


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

Energy: 1.541355660399468
Energy: 1.8897300106096644
Energy: 1.742483887177125
Energy: 1.8897300106096644
Energy: 1.5136640391635052
Energy: 1.5554248402783872
Energy: 1.4939002513014021
Energy: 1.5554248402783872
Energy: 1.704079249516333
Energy: 1.7959427038900129
Energy: 1.4942832987876813
Energy: 1.7959427038868776
Energy: 1.5398740412905427
Energy: 1.7783141203766337
Energy: 1.7532809996733694
Energy: 1.7783141203766337
Energy: 1.7526503266295101
Energy: 1.5133344180585493
Energy: 1.4938093570868558
Energy: 1.5133344180585493
Energy: 1.4934117104083844
Energy: 1.7943755154072643
Energy: 1.702636678378674
Energy: 1.7943755154088314
Energy: 1.4951195146889813
Energy: 1.7350541411697058
Energy: 1.493351382244704
Energy: 1.7350541411697058
Energy: 1.7325647635038224
Energy: 1.629731429274261
Energy: 1.5403715262361801
Energy: 1.6297314292711258
Energy: 1.4941849081638978
Energy: 1.6329952588566905
Energy: 1.5159391959066448
Energy: 1.6329952588566905
Energy: 1.793133517924275
Energy: 1.6616484055369547
Energy: 1.7023599668663205
Energy: 1.6616484055353868
Energy: 1.6473419191516938
Energy: 1.7774672597326275
Energy: 1.9858500780035913
Energy: 1.7774672597310601
Energy: 1.4937663378742017
Energy: 1.5623133280116461
Energy: 1.7939583540424637
Energy: 1.5623133280116461
Energy: 1.7423758903096098
Energy: 1.7948991921208302
Energy: 1.493317845583725
Energy: 1.7948991921208302
Energy: 1.4940648613923226
Energy: 1.759937774668121
Energy: 1.7501798966022413
Energy: 1.759937774668121
Energy: 1.4936815022888115
Energy: 1.7573364150000448
Energy: 1.732550773770335
Energy: 1.7573364150000448
Energy: 1.5133395026772538
Energy: 1.66209243360404
Energy: 1.4935132470044454
Energy: 1.6620924336009046
Energy: 1.4934203878516201
Energy: 1.6379693560623283
Energy: 1.7934975469166752
Energy: 1.637969356063896

minimum gb energy = 1.493317845583725 eV
minimum distance =  2.32101751728816 Angstroms
sigma value = 17


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

Energy: 1.673134118006314
Energy: 1.673666974012731
Energy: 2.028298149556758
Energy: 1.673666974012731
Energy: 1.7634049364009754
Energy: 1.7048434313612295
Energy: 1.5267604481363857
Energy: 1.7048434313603418
Energy: 1.9351891286554248
Energy: 1.6648377871369149
Energy: 1.5254048742658106
Energy: 1.6648377871351396
Energy: 1.527858583075681
Energy: 1.8661098469173998
Energy: 1.6836195117381987
Energy: 1.866109846916512
Energy: 1.823918367931559
Energy: 1.644550001258301
Energy: 1.6010343695168658
Energy: 1.6445500012591887
Energy: 1.5449738685079464
Energy: 1.696562092903404
Energy: 1.902540872133327
Energy: 1.696562092903404
Energy: 1.5278749868027248
Energy: 1.7024884576466421
Energy: 1.6149340033977653
Energy: 1.7024884576457544
Energy: 1.9341081559945226
Energy: 1.6952983133434405
Energy: 1.5430748212186862
Energy: 1.6952983133434405
Energy: 1.5442453533512757
Energy: 1.698224813341001
Energy: 1.8178722072724431
Energy: 1.6982248133401534
Energy: 1.9249761564919259
Energy: 1.6431262370524402
Energy: 1.5262077065850648
Energy: 1.6431262370515525
Energy: 1.531583609702162
Energy: 1.708330554314951
Energy: 1.9316125481199515
Energy: 1.7083305543140632
Energy: 1.5445977611779524
Energy: 1.7004912136098065
Energy: 1.5447720013133683
Energy: 1.7004912136098065
Energy: 1.7554257775182975
Energy: 1.6736267588655949
Energy: 1.6799328343419595
Energy: 1.6736267588647071
Energy: 1.5254906743337235
Energy: 1.7233895129736574
Energy: 1.7653965472920081
Energy: 1.7233895130011385
Energy: 1.6972009723699506
Energy: 1.7034133523433388
Energy: 1.544251984045378
Energy: 1.7034133523433388
Energy: 1.7595297306774527
Energy: 1.6948163447274505
Energy: 1.794165391846962
Energy: 1.6948163447274505
Energy: 1.6142264460401508
Energy: 1.7650869431723715
Energy: 1.934705031202987
Energy: 1.7650869431723715
Energy: 1.8749475730585037
Energy: 1.6688040588115143
Energy: 1.5447970939458504
Energy: 1.6688040588097388
Energy: 1.6944011052830645
Energy: 1.7616968303333096
Energy: 1.6325786658010655
Energy: 1.7616968303324216
Energy: 1.6133471453848849
Energy: 1.8670243663297514
Energy: 1.6629719704067116
Energy: 1.8670243663297514
Energy: 1.658780830638202
Energy: 1.6637406115446736
Energy: 1.7885422502826047
Energy: 1.6637406115446736
Energy: 1.6135197392408835
Energy: 1.8469693612459048
Energy: 1.96039829833871
Energy: 1.846969361245017
Energy: 1.8092162705005748
Energy: 1.6739910268352658
Energy: 1.5247858037012088
Energy: 1.6739910268334903
Energy: 1.5448995581561227
Energy: 1.7615717730507912
Energy: 1.915646801591758
Energy: 1.7615717730516787
Energy: 1.6418488406249545
Energy: 1.6640523138496761
Energy: 1.920104139512704
Energy: 1.6640523138487882
Energy: 1.8101361492494497
Energy: 1.7086986499629373
Energy: 1.5268349089186086
Energy: 1.708698649963825
Energy: 1.5674946076300789
Energy: 1.7742916476177037
Energy: 1.9916413510318796
Energy: 1.774291647620367
Energy: 1.7564622496687257
Energy: 1.695190046273036
Energy: 1.7902569089904419
Energy: 1.695190046273036
Energy: 1.8995122092183214
Energy: 1.8113709928520196
Energy: 1.5271835984502906
Energy: 1.8113709928511321
Energy: 1.5427063764668847
Energy: 1.759164464852672
Energy: 1.8735988926649463
Energy: 1.7591644648517846

minimum gb energy = 1.5247858037012088 eV
minimum distance =  2.21524858505061 Angstroms
sigma value = 53


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

Energy: 1.4290652198485265
Energy: 1.428732267925825
Energy: 1.9726633798075586
Energy: 1.428732267925825
Energy: 1.794455730057855
Energy: 1.6216730146697687
Energy: 1.7908447891459203
Energy: 1.6216730146697687
Energy: 1.4606049993228407
Energy: 1.4286141434548174
Energy: 1.7673138621274964
Energy: 1.4286141434527735
Energy: 1.4607119792466352
Energy: 1.4287116876919939
Energy: 1.658340547651506
Energy: 1.4287116876919939
Energy: 1.7945205203206547
Energy: 1.6216163400161299
Energy: 1.7358205182852755
Energy: 1.6216163400161299
Energy: 1.4290652198485265
Energy: 1.428732267925825
Energy: 1.9726573627429973
Energy: 1.428732267925825
Energy: 1.794455730057855
Energy: 1.6216730146697687
Energy: 1.7908447891459203
Energy: 1.6216730146697687
Energy: 1.4606049993207966
Energy: 1.4286141434527735
Energy: 1.7673138621274964
Energy: 1.4286141434548174
Energy: 1.4607119792466352
Energy: 1.4287116876919939
Energy: 1.6313302439923858
Energy: 1.4287116876919939
Energy: 1.7945205203206547
Energy: 1.6216163400161299
Energy: 1.7301242046066783
Energy: 1.6216163400161299
Energy: 1.4290652198485265
Energy: 1.4287322679237815
Energy: 2.1463573887054155
Energy: 1.428732267925825
Energy: 1.7944557300558113
Energy: 1.6216730146697687
Energy: 1.7908447891459203
Energy: 1.6216730146697687
Energy: 1.4606049993207966
Energy: 1.4286141434548174
Energy: 1.7673138621274964
Energy: 1.4286141434548174

minimum gb energy = 1.4286141434527735 eV
minimum distance =  2.29631785248217 Angstroms
sigma value = 9


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

Energy: 1.636798578702695
Energy: 1.798129165964702
Energy: 2.1954497228327394
Energy: 1.7981291659662149
Energy: 1.9738041100260113
Energy: 1.7238813675728737
Energy: 1.6146094119492995
Energy: 1.7238813675713607
Energy: 1.6350461315497398
Energy: 1.5544337744784344
Energy: 1.5774604851361276
Energy: 1.554433774477678
Energy: 1.8882888687278008
Energy: 1.8867006289025146
Energy: 1.6312764673768643
Energy: 1.886700628899489
Energy: 1.947137436654708
Energy: 1.6730776509110223
Energy: 1.6156579903124677
Energy: 1.6730776509117788
Energy: 1.6178385424464032
Energy: 1.619706349468556
Energy: 1.9129183692266658
Energy: 1.619706349468556
Energy: 2.1742616566885706
Energy: 1.6398615827046388
Energy: 1.6473590382381154
Energy: 1.6398615827031258
Energy: 1.6465776317497771
Energy: 1.8957599759909571
Energy: 1.8180414642889287
Energy: 1.895759975991714
Energy: 1.6388203733227529
Energy: 1.8928376162533083
Energy: 1.6175828719281813
Energy: 1.8928376162533083
Energy: 1.6729247094942683
Energy: 1.7094674346826788
Energy: 1.677220514588112
Energy: 1.7094674346841918
Energy: 1.6310257653973048
Energy: 1.7600235289201387
Energy: 2.109550108339581
Energy: 1.7600235289193822
Energy: 1.8997920226950948
Energy: 1.7532070987382096
Energy: 1.6518036846859152
Energy: 1.7532070987404789
Energy: 1.6205648379961382
Energy: 1.6821529649962925
Energy: 1.9677130099379632
Energy: 1.6821529649962925
Energy: 1.8861601228400247
Energy: 1.7978735889456245
Energy: 1.5811024337780366
Energy: 1.797873588946381
Energy: 1.6200877635468272
Energy: 1.7537596026713946
Energy: 1.8592332705842327
Energy: 1.7537596026691253
Energy: 1.624905262022535
Energy: 1.891307820396163
Energy: 1.8477191889050766
Energy: 1.891307820396163
Energy: 1.755761387542152
Energy: 1.8603023775095484
Energy: 1.6213848810763807
Energy: 1.8603023775065222
Energy: 1.6317233040192793
Energy: 1.6402285592771626
Energy: 1.9459597914777553
Energy: 1.6402285592786756
Energy: 1.9981561615868488
Energy: 1.7451923200095347
Energy: 1.6216757623609621
Energy: 1.7451923200102912
Energy: 1.6154478264286964
Energy: 1.6987156203488127
Energy: 1.864495699020045
Energy: 1.6987156203488127
Energy: 1.8258151360666386
Energy: 1.8842681490181108
Energy: 1.8383207354617805
Energy: 1.8842681490181108
Energy: 1.7656216683424053
Energy: 1.5804011094543042
Energy: 1.642623145857105
Energy: 1.5804011094527914
Energy: 1.617096855517746
Energy: 1.7120735429175455
Energy: 1.722464129054985
Energy: 1.7120735429175455
Energy: 2.07624450134516
Energy: 1.7591968026474423
Energy: 1.626562696674032
Energy: 1.759196802648955
Energy: 1.6170907810112427
Energy: 1.7632450714134227
Energy: 2.0902449181273766
Energy: 1.7632450714126664
Energy: 1.7154955960325278
Energy: 1.5541452285074797
Energy: 1.6160945146527708
Energy: 1.5541452285082364
Energy: 1.7460604029122706
Energy: 1.8567744164721796
Energy: 1.8768546551413778
Energy: 1.8567744164721796
Energy: 1.6374685448194604
Energy: 1.8274722474394338
Energy: 1.8879942860198116
Energy: 1.8274722474379208
Energy: 1.7302756674953712
Energy: 1.5529729830033452
Energy: 1.6146081072810607
Energy: 1.552972983004102
Energy: 1.6165991307551373
Energy: 1.7870346729681745
Energy: 2.0889219196944198
Energy: 1.7870346729712003
Energy: 1.9874093697185469
Energy: 1.7204017068937776
Energy: 1.6250237116064568
Energy: 1.7204017068922648
Energy: 1.6199846568452296
Energy: 1.7069753610164833
Energy: 1.6999316052393745
Energy: 1.7069753610179963
Energy: 1.6723939321018528
Energy: 1.7771490947383877
Energy: 1.6428192171903024
Energy: 1.7771490947399005
Energy: 1.8443728224052798
Energy: 1.9250523033812958
Energy: 1.8282420305485823
Energy: 1.9250523033835651
Energy: 1.6113135539564287
Energy: 1.966020398100043
Energy: 2.100489134929341
Energy: 1.9660203980970172

minimum gb energy = 1.5529729830033452 eV
minimum distance =  2.23936442453255 Angstroms
sigma value = 73


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

Energy: 1.6672657094840777
Energy: 1.667311083342037
Energy: 2.0515935755150534
Energy: 1.667311083342037
Energy: 1.71365306164177
Energy: 1.7038913013701706
Energy: 1.5534059386028019
Energy: 1.7038913013701706
Energy: 1.6783864751321356
Energy: 1.6656647999122856
Energy: 1.590858150440393
Energy: 1.6656647999122856
Energy: 1.6868381991778958
Energy: 1.7995151880023206
Energy: 1.5986264827510084
Energy: 1.7995151880035207
Energy: 1.6952704480924639
Energy: 1.7215877352532167
Energy: 1.589532273012552
Energy: 1.7215877352544169
Energy: 1.6295236417243675
Energy: 1.6003057952056639
Energy: 2.099203414758353
Energy: 1.6003057952056639
Energy: 2.173650646378727
Energy: 1.8136264976648218
Energy: 1.6534667460731487
Energy: 1.8136264976648218
Energy: 1.6588772928086692
Energy: 1.55307654190879
Energy: 1.9314336283282314
Energy: 1.55307654190879
Energy: 2.0965378190951727
Energy: 1.5534973658505922
Energy: 1.553550178649058
Energy: 1.5534973658505922
Energy: 1.553897919922035
Energy: 1.7753645964579674
Energy: 1.5526331850289798
Energy: 1.7753645964579674
Energy: 1.6122396168080362
Energy: 1.5534304756130468
Energy: 1.9737788726969132
Energy: 1.5534304756130468
Energy: 1.7854712900545766
Energy: 1.799194877362343
Energy: 1.6441706860564027
Energy: 1.799194877362343
Energy: 1.6277073372513395
Energy: 1.6759700887415687
Energy: 1.910179974710061
Energy: 1.6759700887415687
Energy: 2.0767801789731246
Energy: 1.7815922658556724
Energy: 1.6829468260625682
Energy: 1.7815922658544723
Energy: 1.6337086377031655
Energy: 1.8137559372727892
Energy: 1.9969590304810996
Energy: 1.8137559372739893
Energy: 1.9988768284519667
Energy: 1.553277600887302
Energy: 1.6562710883570568
Energy: 1.5532776008885023
Energy: 1.6656310351536323
Energy: 1.6677966170458054
Energy: 1.553962056986723
Energy: 1.6677966170470055
Energy: 1.6663331170344766
Energy: 1.7987282491950911
Energy: 1.6519977440180689
Energy: 1.7987282491950911
Energy: 1.7943465878679938
Energy: 1.552885837117214
Energy: 1.6548238914367002
Energy: 1.552885837117214
Energy: 1.6365178560062634
Energy: 1.750100739807853
Energy: 2.050437536926184
Energy: 1.750100739807853
Energy: 2.087347067131007
Energy: 1.600372762544536
Energy: 1.6836672424489372
Energy: 1.600372762544536
Energy: 1.5985923556788506
Energy: 1.714412698551783
Energy: 1.8609279905259162
Energy: 1.714412698551783

minimum gb energy = 1.5526331850289798 eV
minimum distance =  2.25083071729023 Angstroms
sigma value = 7


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

Energy: 1.5805069143264383
Energy: 1.5816045989887435
Energy: 2.1588551117366324
Energy: 1.5816045989887435
Energy: 2.032485918713693
Energy: 1.7298443690439915
Energy: 1.610504711809201
Energy: 1.7298443690439915
Energy: 1.632718117702759
Energy: 1.8229948534514573
Energy: 1.5900262139647876
Energy: 1.822994853452306
Energy: 1.588545971883021
Energy: 1.6874612650308618
Energy: 1.6104953427281226
Energy: 1.687461265030013
Energy: 1.6290430596002448
Energy: 1.6852028026988182
Energy: 1.5758252101710915
Energy: 1.6852028026988182
Energy: 1.6284308675753154
Energy: 1.580532753031096
Energy: 2.048147741874996
Energy: 1.580532753031096
Energy: 1.753716921729893
Energy: 1.831350346782088
Energy: 1.590878061586425
Energy: 1.831350346782088
Energy: 1.6289163212189715
Energy: 1.5810603748945382
Energy: 2.1286657699633245
Energy: 1.581060374891992
Energy: 1.7790548362247165
Energy: 1.6719752472462108
Energy: 1.6368464441151291
Energy: 1.6719752472470595
Energy: 1.6085207870483689
Energy: 1.68823346575905
Energy: 1.7499702349092656
Energy: 1.68823346575905
Energy: 1.586513191749579
Energy: 1.822888224298592
Energy: 1.5752281868086158
Energy: 1.8228882242994406
Energy: 1.581782138918753
Energy: 1.6845990532427249
Energy: 1.5755489495315336
Energy: 1.6845990532452708
Energy: 1.581053973972499
Energy: 1.5838251431762538
Energy: 1.5742612558324838
Energy: 1.583825143174556
Energy: 1.5902610394162837
Energy: 1.5747519680355508
Energy: 1.6380926850220678
Energy: 1.5747519680330049
Energy: 1.6093807008213492
Energy: 1.883135433589123
Energy: 1.806274245487242
Energy: 1.8831354335865769
Energy: 2.205343792205346
Energy: 1.572627458022947
Energy: 1.6532517373298683
Energy: 1.572627458022947
Energy: 1.6085698098310275
Energy: 1.6855045848495123
Energy: 1.7818091241093632
Energy: 1.685504584850361
Energy: 1.5986883685867588
Energy: 1.8635197435702695
Energy: 1.6379907809264702
Energy: 1.863519743569421
Energy: 1.6084401743425543
Energy: 1.823249368922106
Energy: 1.6398720480252535
Energy: 1.8232493689178628
Energy: 1.6095656375272847
Energy: 1.6867850545313758
Energy: 1.5738565469224648
Energy: 1.6867850545305272
Energy: 1.5866687685615297
Energy: 1.8205891434056822
Energy: 1.6379675299800387
Energy: 1.8205891434039845
Energy: 1.6281009022214619
Energy: 1.8192205315755265
Energy: 1.7407435342477633
Energy: 1.8192205315746781
Energy: 2.044712393985194
Energy: 1.67457925483741
Energy: 1.6304300669992753
Energy: 1.6745792548391074
Energy: 1.5868486098356334
Energy: 1.5811192984534765
Energy: 2.0704919283202705
Energy: 1.5811192984543252
Energy: 1.6099898088903024
Energy: 1.6875710001369337
Energy: 1.5947988445687733
Energy: 1.6875710001369337
Energy: 1.5862998736384317
Energy: 1.819553139373933
Energy: 1.5750022017823417
Energy: 1.8195531393696895
Energy: 1.6297634302535338
Energy: 1.6891586277374617
Energy: 1.5960538694196242
Energy: 1.6891586277400077
Energy: 1.6644664275346508
Energy: 1.6846014739531239
Energy: 1.610673773670686
Energy: 1.6846014739547825
Energy: 1.6419470089465695
Energy: 1.5818701467938725
Energy: 1.7840536910181635
Energy: 1.5818701467947212
Energy: 1.5851177103991612
Energy: 1.633654304899558
Energy: 1.608755911751071
Energy: 1.633654304902104
Energy: 1.6419504939058625
Energy: 1.5814019715389294
Energy: 2.016630221794809
Energy: 1.5814019715389294

minimum gb energy = 1.572627458022947 eV
minimum distance =  2.23170656664876 Angstroms
sigma value = 29


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

Energy: 1.4820434197629246
Energy: 1.474594151587807
Energy: 1.9442787410891014
Energy: 1.474594151587544
Energy: 1.4244547846442677
Energy: 1.4831886452403402
Energy: 1.4798540256751709
Energy: 1.4831886452406355
Energy: 1.5990095339497763
Energy: 1.550580421376092
Energy: 1.7328816718928162
Energy: 1.5505804213757963
Energy: 1.4800333827264651
Energy: 1.4248184368167114
Energy: 1.4801169668297867
Energy: 1.4248184368173027
Energy: 1.4824341123963742
Energy: 1.5228933665077038
Energy: 1.733138985845801
Energy: 1.5228933665079991
Energy: 1.4752409355608198
Energy: 1.5515231412474408
Energy: 1.4752698014142758
Energy: 1.5515231412471453
Energy: 1.4752946243961753
Energy: 1.5230335260075256
Energy: 1.4824239889881365
Energy: 1.5230335260075256
Energy: 1.4801720954322322
Energy: 1.4246843373272093
Energy: 1.479726026835644
Energy: 1.4246843373263225
Energy: 1.732850912540773
Energy: 1.5505708360943997
Energy: 1.7329000620752129
Energy: 1.5505708360943997

minimum gb energy = 1.4244547846442677 eV
minimum distance =  2.29297320601435 Angstroms
sigma value = 5


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

Energy: 1.4894778956538366
Energy: 1.4945151896948297
Energy: 1.8695145498415757
Energy: 1.4945151896948297
Energy: 1.7291001641239938
Energy: 1.5812884213072305
Energy: 1.507068415095985
Energy: 1.581288421308032
Energy: 1.4617441621838079
Energy: 1.4881997318659135
Energy: 1.7640179526813402
Energy: 1.4881997318659135
Energy: 1.5098520250021639
Energy: 1.5704058340240676
Energy: 1.467077019912311
Energy: 1.5704058340240676
Energy: 1.486910132875065
Energy: 1.576563490268398
Energy: 1.7285070778412512
Energy: 1.576563490270001
Energy: 1.5861291175226264
Energy: 1.4963718426742698
Energy: 1.460817144997065
Energy: 1.4963718426750714
Energy: 1.4632213842303021
Energy: 1.5739868369755432
Energy: 1.4511622182891795
Energy: 1.5739868369747416
Energy: 1.4572175594573156
Energy: 1.4970198318478856
Energy: 1.4696253760456428
Energy: 1.4970198318486874
Energy: 1.4625064748276333
Energy: 1.5748724602352258
Energy: 1.4942797656076816
Energy: 1.5748724602360273
Energy: 1.4623540291553476
Energy: 1.5747558127235548
Energy: 1.5099287874424296
Energy: 1.5747558127243564
Energy: 1.5165592627317666
Energy: 1.5714289345883352
Energy: 1.4643652278758783
Energy: 1.5714289345875336
Energy: 1.5118233315759342
Energy: 1.4799955741331547
Energy: 1.494406429225433
Energy: 1.4799955741323532
Energy: 1.6594279476952938
Energy: 1.4961016880870968
Energy: 1.4933558037101584
Energy: 1.4961016880878981
Energy: 1.4846952557847612
Energy: 1.4956342972821801
Energy: 1.4794371166549485
Energy: 1.4956342972829817
Energy: 1.830413868333343
Energy: 1.5689759790261577
Energy: 1.464450885857202
Energy: 1.568975979025356
Energy: 1.4649761924702445
Energy: 1.4882108381456736
Energy: 1.842576825903457
Energy: 1.4882108381464754
Energy: 1.7108949991252838
Energy: 1.4812315311602013
Energy: 1.488037791921112
Energy: 1.4812315311618047
Energy: 1.4699399696301503
Energy: 1.4953167776120138
Energy: 1.9904843760261035
Energy: 1.4953167776120138
Energy: 1.5467298999708712
Energy: 1.5768624922403025
Energy: 1.4575943200217982
Energy: 1.576862492239501
Energy: 1.4822900851967424
Energy: 1.5911900066630962
Energy: 1.4735444780029685
Energy: 1.5911900066638978
Energy: 1.47855703194203
Energy: 1.5683254760119134
Energy: 1.4625846035646
Energy: 1.56832547601031
Energy: 1.5157302006495192
Energy: 1.5747585952638565
Energy: 1.4633974684211413
Energy: 1.5747585952630547
Energy: 1.5011695200000668
Energy: 1.4962760387810423
Energy: 1.5147443014576516
Energy: 1.4962760387810423
Energy: 1.493871911697198
Energy: 1.5057853937033776
Energy: 1.508333867226974
Energy: 1.5057853937033776
Energy: 1.4935957252033278
Energy: 1.4885253914064496
Energy: 1.4689447682957169
Energy: 1.4885253914072512
Energy: 1.5222447955750564
Energy: 1.4947752522976654
Energy: 1.4894297773983385
Energy: 1.4947752522976654
Energy: 1.4670321805735385
Energy: 1.453721672885529
Energy: 1.5568232926572336
Energy: 1.453721672885529
Energy: 1.8674673044880306
Energy: 1.5815954584072813
Energy: 1.4646927886562564
Energy: 1.5815954584080831
Energy: 1.476561325839907
Energy: 1.4692896921351777
Energy: 1.7695123705902214
Energy: 1.4692896921351777
Energy: 1.9988935717881222
Energy: 1.639632849233183
Energy: 1.4698133019876416
Energy: 1.639632849233183
Energy: 1.4590003762502053
Energy: 1.4735496512958912
Energy: 1.7413321514385514
Energy: 1.4735496512958912
Energy: 1.7126970349819761
Energy: 1.5743843736635807
Energy: 1.4772230819691978
Energy: 1.5743843736635807
Energy: 1.4679197529066481
Energy: 1.8054106110943795
Energy: 1.5103857169374761
Energy: 1.8054106110951813

minimum gb energy = 1.4511622182891795 eV
minimum distance =  2.21786843635474 Angstroms
sigma value = 1


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

Energy: 1.5978566084238233
Energy: 1.5989245168021002
Energy: 1.9658666191258876
Energy: 1.5989245168021002
Energy: 1.5683353355084635
Energy: 1.5504745569771117
Energy: 1.4322221155415633
Energy: 1.5504745569760032
Energy: 1.4161870730162256
Energy: 1.4413992035506273
Energy: 1.6915436436272846
Energy: 1.4413992035495187
Energy: 1.4557064137067348
Energy: 1.5475041662985454
Energy: 1.43173991392169
Energy: 1.5475041662996536
Energy: 1.4272703366487982
Energy: 1.4414251105899774
Energy: 1.7654445814845188
Energy: 1.4414251105899774
Energy: 1.4035017923563082
Energy: 1.4451094555093855
Energy: 1.431982828505583
Energy: 1.4451094555104942
Energy: 1.4159342835604836
Energy: 1.5931384352422193
Energy: 1.434751901913793
Energy: 1.5931384352422193
Energy: 1.412928901135998
Energy: 1.4449447023715327
Energy: 1.4294246596906428
Energy: 1.4449447023704243
Energy: 1.4408815814375608
Energy: 1.4516632164529668
Energy: 1.4587546584676596
Energy: 1.4516632164529668
Energy: 1.4411518415675217
Energy: 1.452676062927811
Energy: 1.4843775515376734
Energy: 1.4526760629267024
Energy: 1.4134316219836176
Energy: 1.4450775952761017
Energy: 1.4589484549368217
Energy: 1.4450775952761017
Energy: 1.4166860871350409
Energy: 1.5768479529835469
Energy: 1.6403648914295696
Energy: 1.5768479529835469
Energy: 1.4047316969350574
Energy: 1.444659565411691
Energy: 1.433801081127884
Energy: 1.444659565411691
Energy: 1.428985487718259
Energy: 1.4485992087556567
Energy: 1.4419261050951144
Energy: 1.4485992087567652
Energy: 1.5873686057487197
Energy: 1.5436790421988371
Energy: 1.434123716738473
Energy: 1.5436790421988371
Energy: 1.4159586021860393
Energy: 1.4418834724607112
Energy: 1.8107263417855364
Energy: 1.441883472462928
Energy: 2.0252214522909187
Energy: 1.4717767538418745
Energy: 1.4289818783064352
Energy: 1.471776753842983
Energy: 1.5978566084238233
Energy: 1.5989245168021002
Energy: 1.9658665982469028
Energy: 1.5989245168021002
Energy: 1.5683353355073553
Energy: 1.5504745569748946
Energy: 1.4322221155415633
Energy: 1.5504745569771117
Energy: 1.4161870730162256
Energy: 1.4413992035517356
Energy: 1.6915436436272846
Energy: 1.4413992035495187
Energy: 1.4557064137067348
Energy: 1.5475041662985454
Energy: 1.43173991392169
Energy: 1.5475041663007623
Energy: 1.4272703366487982
Energy: 1.4414251105899774
Energy: 1.765444581485627
Energy: 1.441425110588869
Energy: 1.4035017923574167
Energy: 1.4451094555093855
Energy: 1.431982828505583
Energy: 1.4451094555104942
Energy: 1.4159342835604836
Energy: 1.5931384352422193
Energy: 1.434751901913793
Energy: 1.5931384352422193

minimum gb energy = 1.4035017923563082 eV
minimum distance =  2.23946732812396 Angstroms
sigma value = 17


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

Energy: 1.4340082071378089
Energy: 1.4348500896478384
Energy: 1.8327438992677059
Energy: 1.4348500896450982
Energy: 1.631567005342836
Energy: 1.4231127957563485
Energy: 1.4073712476056601
Energy: 1.4231127957542933
Energy: 1.4040551596426039
Energy: 1.4195378208898128
Energy: 1.7569400054753093
Energy: 1.4195378208891278
Energy: 1.5693842657108874
Energy: 1.696447862470072
Energy: 1.4016952307907937
Energy: 1.696447862469387
Energy: 1.4052115152652593
Energy: 1.434841445953902
Energy: 1.8096464315316085
Energy: 1.4348414459573273
Energy: 1.4440290716733184
Energy: 1.9106494535326746
Energy: 1.4169853014106697
Energy: 1.9106494535319896
Energy: 1.4343834854391682
Energy: 1.5046910073896762
Energy: 1.4192573064391656
Energy: 1.5046910073896762
Energy: 1.4300710413662732
Energy: 1.7154415212165315
Energy: 1.4014317077163738
Energy: 1.7154415212165315
Energy: 1.434950312484864
Energy: 1.7155765054087484
Energy: 1.4811943203821165
Energy: 1.7155765054087484
Energy: 1.4200408217694513
Energy: 1.714643856937017
Energy: 1.416514143146236
Energy: 1.714643856936332
Energy: 1.3959870886849397
Energy: 1.6919077341229556
Energy: 1.4112899252482956
Energy: 1.6919077341222701
Energy: 1.394725146041948
Energy: 1.4997763916286786
Energy: 1.393939032185281
Energy: 1.4997763916286786
Energy: 1.438148252963875
Energy: 1.707296767438022
Energy: 1.4057080855436133
Energy: 1.7072967674400772
Energy: 1.4351209175972983
Energy: 1.5237925811708604
Energy: 1.4332583926798386
Energy: 1.5237925811701751
Energy: 1.4270017390612695
Energy: 1.699554722675803
Energy: 1.4466071744895828
Energy: 1.6995547226771734
Energy: 1.4108791517999177
Energy: 1.4206317517962734
Energy: 1.777333416158123
Energy: 1.4206317517949034
Energy: 1.4697406002158788
Energy: 1.7003723358014184
Energy: 1.4056795481814601
Energy: 1.7003723358027885
Energy: 1.3955811137976315
Energy: 1.5657052673932705
Energy: 1.7039160527427888
Energy: 1.5657052673925855
Energy: 1.6304512266432836
Energy: 1.695988357276817
Energy: 1.406892107402925
Energy: 1.6959883572761316
Energy: 1.4108348293457889
Energy: 1.419736472177677
Energy: 1.573917715232408
Energy: 1.4197364721783623
Energy: 1.5066316886395077
Energy: 1.4130801434399027
Energy: 1.4316185852732473
Energy: 1.4130801434399027
Energy: 1.432145851959363
Energy: 1.5668590000125506
Energy: 1.5093319339909792
Energy: 1.5668590000118654
Energy: 1.6341346404910535
Energy: 1.7078265525186278
Energy: 1.4132017531089813
Energy: 1.7078265525179426
Energy: 1.4074115294500296
Energy: 1.4132729436737044
Energy: 1.6317907374883742
Energy: 1.4132729437840046
Energy: 1.4994951413504147
Energy: 1.5652287567799736
Energy: 1.398053811114206
Energy: 1.5652287567799736
Energy: 1.4088250897441827
Energy: 1.5256895627104885
Energy: 1.4722937161539265
Energy: 1.5256895627111735
Energy: 1.620249654458185
Energy: 1.4892295329989857
Energy: 1.4136420296840877
Energy: 1.4892295329983007
Energy: 1.4448595684975152
Energy: 1.6991895677048394
Energy: 1.4269103732958452
Energy: 1.6991895677041544
Energy: 1.4330569071522283
Energy: 1.5230347314310133
Energy: 1.429120282502708
Energy: 1.5230347314303283
Energy: 1.4056205738788803
Energy: 1.705341233810835
Energy: 1.4935951682605968
Energy: 1.7053412338115197
Energy: 1.3936475734340112
Energy: 1.5228211289034186
Energy: 1.394953178366722
Energy: 1.5228211289041038
Energy: 1.4091645394379306
Energy: 1.6951210192517332
Energy: 1.4050711793846098
Energy: 1.695121019252418
Energy: 1.4137708324542908
Energy: 1.495941001259684
Energy: 1.6322152885029781
Energy: 1.4959410012576286
Energy: 1.4848726771997272
Energy: 1.7202874781241628
Energy: 1.4200444255468265
Energy: 1.7202874781248483
Energy: 1.3990896090196756
Energy: 1.4357713516443213
Energy: 1.47069980577782
Energy: 1.4357713516443213
Energy: 1.419067538643198
Energy: 1.507484951688629
Energy: 1.432442388126277
Energy: 1.5074849516879438
Energy: 1.4131515421683476
Energy: 1.9083916664857088
Energy: 1.429570325916484
Energy: 1.9083916664857088
Energy: 1.8057821279990358
Energy: 1.5262884423663063
Energy: 1.41093302528826
Energy: 1.5262884423656211

minimum gb energy = 1.3936475734340112 eV
minimum distance =  2.235538335176 Angstroms
sigma value = 89


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

Energy: 1.2778413212589008
Energy: 1.2779924644088185
Energy: 2.0784439654030287
Energy: 1.2779924644088185
Energy: 1.2783234102126253
Energy: 1.3159054236724543
Energy: 1.300893357380314
Energy: 1.3159054236724543
Energy: 1.2971821845009126
Energy: 1.376375135757194
Energy: 2.20695776507812
Energy: 1.376375135757194
Energy: 1.321733791001322
Energy: 1.3162968180303736
Energy: 1.3004981794587964
Energy: 1.3162968180303736
Energy: 1.2967090899581868
Energy: 1.4101477177326553
Energy: 2.124278078668411
Energy: 1.4101477177326553
Energy: 1.2968111920722547
Energy: 1.278771933809116
Energy: 1.277476021135544
Energy: 1.278771933809116
Energy: 1.2974143168455046
Energy: 1.5096296070125392
Energy: 1.2779413912198758
Energy: 1.5096296070125392
Energy: 1.318705573595267
Energy: 1.5090183208052992
Energy: 1.3010853693671958
Energy: 1.5090183208070918
Energy: 1.2968052423387741
Energy: 1.4098433178601648
Energy: 1.2836236912301247
Energy: 1.4098433178601648
Energy: 1.3153850099617255
Energy: 1.2789527778760081
Energy: 1.2966686834609789
Energy: 1.2789527778742156
Energy: 1.2776308034830057
Energy: 1.3167800466610684
Energy: 1.2966596831945412
Energy: 1.3167800466610684
Energy: 1.2777503142940383
Energy: 1.51055754999835
Energy: 1.30068420464054
Energy: 1.51055754999835
Energy: 1.2966766156995762
Energy: 1.280092669558905
Energy: 1.3155980717963542
Energy: 1.280092669558905
Energy: 1.2968691060553295
Energy: 1.4089753701155971
Energy: 1.2968507419536746
Energy: 1.4089753701155971
Energy: 1.2835730930272478
Energy: 1.2800617251931476
Energy: 1.2966764387520644
Energy: 1.2800617251931476

minimum gb energy = 1.277476021135544 eV
minimum distance =  2.25569729814818 Angstroms
sigma value = 13


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

Energy: 1.2847505221810531
Energy: 1.2515341004851523
Energy: 1.727876829062404
Energy: 1.2515341004859037
Energy: 1.4916312556496836
Energy: 1.6457247650977378
Energy: 1.2444472254901164
Energy: 1.645724765098489
Energy: 1.2528959182096737
Energy: 1.436959819429726
Energy: 1.9304883017673464
Energy: 1.436959819774449
Energy: 1.2456487069310411
Energy: 1.4667434153546721
Energy: 1.242365227016766
Energy: 1.4667434153554235
Energy: 1.2595380870663044
Energy: 1.5286488456200795
Energy: 1.3331413602641449
Energy: 1.5286488456193286
Energy: 1.243597485297
Energy: 1.284555038710185
Energy: 1.258687173568306
Energy: 1.2845550387086826
Energy: 1.2596279833223485
Energy: 1.4508807834570923
Energy: 1.617492056095474
Energy: 1.4508807834563413
Energy: 1.2482994830122958
Energy: 1.46807508523721
Energy: 1.2588251998462876
Energy: 1.468075085234956
Energy: 1.260914873928221
Energy: 1.348988539663415
Energy: 1.4745509603973344
Energy: 1.3489885396619123
Energy: 1.4801572894795068
Energy: 1.5490923718155327
Energy: 1.2424265446578795
Energy: 1.5490923718200407
Energy: 1.2604103022496485
Energy: 1.370865080074288
Energy: 1.2437448582997221
Energy: 1.3708650800735367
Energy: 1.6122135753235345
Energy: 1.548786331064696
Energy: 1.2504726513732562
Energy: 1.5487863310654477
Energy: 1.2938751947739597
Energy: 1.266384697467521
Energy: 1.2583920752637554
Energy: 1.2663846974667696
Energy: 1.624677295487355
Energy: 1.3707893150815236
Energy: 1.2504734667768564
Energy: 1.3707893150792696
Energy: 1.26041279572568
Energy: 1.2492110639705232
Energy: 1.2529601188827821
Energy: 1.2492110639712743
Energy: 1.241229397579785
Energy: 1.370788895625571
Energy: 1.2394600231240185
Energy: 1.370788895625571
Energy: 1.2568450045196151
Energy: 1.3364862949526197
Energy: 1.2389023982947174
Energy: 1.336486294953371
Energy: 1.2800741834215852
Energy: 1.3455820257993882
Energy: 1.2542134553081756
Energy: 1.345582025801642
Energy: 1.2571868323536093
Energy: 1.2678835655865006
Energy: 1.2543741921116611
Energy: 1.2678835655887544
Energy: 1.2567939527399792
Energy: 1.268002785242792
Energy: 1.2543525595944967
Energy: 1.2680027852442948
Energy: 1.2804988172244354
Energy: 1.3454747509422624
Energy: 1.2544242355557962
Energy: 1.3454747509407596
Energy: 1.2567051025044134
Energy: 1.3364899083619863
Energy: 1.238944694643041
Energy: 1.3364899083627377
Energy: 1.2410761098022267
Energy: 1.37059023064458
Energy: 1.2393026495615522
Energy: 1.3705902306423259
Energy: 1.2603754196185204
Energy: 1.2492152349107515
Energy: 1.2553173826330963
Energy: 1.249215234911503
Energy: 1.624891506510008
Energy: 1.5994700613664297
Energy: 1.251356266716465
Energy: 1.5994700613679322
Energy: 1.294470059188643
Energy: 1.266488674467476
Energy: 1.256135909206486
Energy: 1.2664886744667248
Energy: 1.611907712876787
Energy: 1.54892669648185
Energy: 1.2509661266332825
Energy: 1.548926696484104
Energy: 1.2597598711851754
Energy: 1.3710134643179648
Energy: 1.242825917799972
Energy: 1.371013464318716
Energy: 1.4800906161728224
Energy: 1.5485756482631674
Energy: 1.2421007902814718
Energy: 1.5485756482616646
Energy: 1.2599260764987241
Energy: 1.3487829584974877
Energy: 1.693640846335005
Energy: 1.3487829584937312
Energy: 1.2477998399207764
Energy: 1.4669632720964507
Energy: 1.2587912796979948
Energy: 1.4669632720964507
Energy: 1.2598467005080831
Energy: 1.4507990906543595
Energy: 1.8019656908055708
Energy: 1.4507990906536081
Energy: 1.2439921494590238
Energy: 1.2822999041511103
Energy: 1.2587749325720892
Energy: 1.2822999041541157
Energy: 1.259882301329495
Energy: 1.5285908348931918
Energy: 1.3195900576028603
Energy: 1.5285908348946946
Energy: 1.2459756206116734
Energy: 1.4675022463652194
Energy: 1.2423674691641948
Energy: 1.4675022463629652

minimum gb energy = 1.2389023982947174 eV
minimum distance =  2.23426340176173 Angstroms
sigma value = 37


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

Energy: 1.358858963210262
Energy: 1.3585570976010888
Energy: 1.1880577716121945
Energy: 1.3585570976010888
Energy: 1.4483165418935458
Energy: 1.5930295223609983
Energy: 1.1597324255342591
Energy: 1.5930295223609983
Energy: 1.180469416547691
Energy: 1.6296236715244032
Energy: 1.5698190168571906
Energy: 1.6296236715256958
Energy: 1.301413438030932
Energy: 1.345037972506445
Energy: 1.1604062916197444
Energy: 1.3450379725051522
Energy: 1.159237461214869
Energy: 1.1847554777127067
Energy: 1.3012190958673624
Energy: 1.1847554777127067
Energy: 1.1974725747539727
Energy: 1.7531842607462076
Energy: 1.304483318987956
Energy: 1.7531842607462076
Energy: 1.1751879090421573
Energy: 1.9338721858891585
Energy: 1.6350632066761195
Energy: 1.9338721858891585
Energy: 1.1428458322306159
Energy: 1.1858018836871766
Energy: 1.1900198723747761
Energy: 1.1858018836858841
Energy: 1.1605819567063367
Energy: 1.592443734469672
Energy: 1.4666781316299622
Energy: 1.5924437344709648
Energy: 1.569177056939065
Energy: 1.6304607314715176
Energy: 1.303380621499563
Energy: 1.6304607314715176
Energy: 1.1584406125002253
Energy: 1.8350406256664575
Energy: 1.3012283639545812
Energy: 1.8350406256651648
Energy: 1.544601857357518
Energy: 1.185288484446083
Energy: 1.1603358522846603
Energy: 1.185288484446083
Energy: 1.3007333613028436
Energy: 1.5925296249886998
Energy: 1.3651639891669531
Energy: 1.5925296249886998
Energy: 1.6371468967021336
Energy: 1.9351354569814434
Energy: 1.1426807131408923
Energy: 1.9351354569801509
Energy: 1.357730767600935
Energy: 1.3928951774465659
Energy: 1.1427507421642746
Energy: 1.3928951774465659
Energy: 1.3579908816962754
Energy: 1.5931201992251773
Energy: 1.159663844832396
Energy: 1.5931201992251773
Energy: 1.300628107694961
Energy: 1.3301542545112646
Energy: 1.1607181812776244
Energy: 1.3301542545112646
Energy: 1.300763980086841
Energy: 1.8360457210257422
Energy: 1.158389070697714
Energy: 1.8360457210257422
Energy: 1.1584168347324035
Energy: 1.1866656697870461
Energy: 1.1585298466839973
Energy: 1.1866656697870461
Energy: 1.1587074252771403
Energy: 1.5929808065504263
Energy: 1.3007807345068898
Energy: 1.5929808065504263

minimum gb energy = 1.1426807131408923 eV
minimum distance =  2.22956731269474 Angstroms
sigma value = 25


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

Energy: 1.2346444054854027
Energy: 1.7571111276777762
Energy: 1.0543071759833824
Energy: 1.7571111276787859
Energy: 1.4832997764110722
Energy: 1.2984267619705558
Energy: 1.0474653328406083
Energy: 1.2984267619695464
Energy: 1.1704362995083573
Energy: 1.1708667062099554
Energy: 1.3571706093503277
Energy: 1.1708667062089457
Energy: 1.2518531900610985
Energy: 1.4402802209402745
Energy: 1.055621286874627
Energy: 1.4402802209402745
Energy: 1.0642214639430767
Energy: 1.2987425640394927
Energy: 1.137222765110602
Energy: 1.2987425640394927
Energy: 1.145186032860671
Energy: 1.2942749621476564
Energy: 1.0655812252544197
Energy: 1.2942749621496752
Energy: 1.050424718169487
Energy: 1.044046558097624
Energy: 1.2526353324862036
Energy: 1.044046558095605
Energy: 1.0368333836016246
Energy: 1.4485403666731782
Energy: 1.1727326522507107
Energy: 1.4485403666741876
Energy: 1.0503737031731277
Energy: 1.2987620211617168
Energy: 1.6287381088531598
Energy: 1.2987620211607074
Energy: 1.023768841734786
Energy: 1.280762199824217
Energy: 1.105338312067844
Energy: 1.2807621998252265
Energy: 1.0503100495434952
Energy: 1.044199714338301
Energy: 1.5333454830185893
Energy: 1.044199714338301
Energy: 1.3585083217829215
Energy: 1.599893363009455
Energy: 1.1729012506452972
Energy: 1.599893363009455
Energy: 1.0579103920627309
Energy: 1.2101077828997067
Energy: 1.4067208781922902
Energy: 1.2101077828976883
Energy: 1.3475254229774685
Energy: 1.3913548697804006
Energy: 1.0659514887916113
Energy: 1.3913548697804006
Energy: 1.0647239763608536
Energy: 1.041256999264314
Energy: 1.144012350786722
Energy: 1.0412569992633047
Energy: 1.4424987323767497
Energy: 1.7074718026946247
Energy: 1.0491630429687742
Energy: 1.7074718026936153
Energy: 1.1756179465469465
Energy: 1.4483045514358284
Energy: 1.0253707690886746
Energy: 1.4483045514358284
Energy: 1.4279774758897965
Energy: 1.1886229960470318
Energy: 1.0477041397820905
Energy: 1.1886229960470318
Energy: 1.2337458481826276
Energy: 1.0617994692780064
Energy: 1.0240926750043682
Energy: 1.061799469279016
Energy: 1.6750696241611231
Energy: 1.7066288392843179
Energy: 1.0489734270752895
Energy: 1.7066288392843179
Energy: 1.1755847108154869
Energy: 1.705924935325394
Energy: 1.0375837056746582
Energy: 1.7059249353243848
Energy: 1.1703489565436607
Energy: 1.4406161833701887
Energy: 1.0594745487346342
Energy: 1.4406161833701887
Energy: 1.064551542662074
Energy: 1.4252788756885806
Energy: 1.3493769892919245
Energy: 1.4252788756885806
Energy: 1.1438327907606007
Energy: 1.769889591867423
Energy: 1.0646102607330745
Energy: 1.769889591867423
Energy: 1.0478690728720932
Energy: 1.7068815345531603
Energy: 1.4426893875530518
Energy: 1.7068815345531603
Energy: 1.0310562829198175
Energy: 1.3304677924469936
Energy: 1.1701773246822749
Energy: 1.3304677924480033

minimum gb energy = 1.023768841734786 eV
minimum distance =  2.2409589703449 Angstroms
sigma value = 41


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

Energy: 1.3499121274910797
Energy: 1.3508247429447904
Energy: 0.9563613436046826
Energy: 1.3508247429423077
Energy: 1.4173721688475316
Energy: 1.1453821163123725
Energy: 0.9446098450333887
Energy: 1.1453821163123725
Energy: 0.9723993648136534
Energy: 0.9421802979569882
Energy: 1.718580996000876
Energy: 0.9421802979578158
Energy: 1.214019792274983
Energy: 1.3395673533293304
Energy: 0.9443263032148029
Energy: 1.3395673533293304
Energy: 0.9379922361790356
Energy: 1.370806756365939
Energy: 1.017564754661832
Energy: 1.3708067563675939
Energy: 1.010666800460051
Energy: 1.1445098220906265
Energy: 0.9444686387911879
Energy: 1.1445098220906265
Energy: 0.9430748469503096
Energy: 1.1451113886780067
Energy: 1.010887861967934
Energy: 1.1451113886780067
Energy: 0.9268818217012302
Energy: 1.1644642781820205
Energy: 0.9393847043105124
Energy: 1.1644642781811931
Energy: 0.94800328259874
Energy: 1.5232337862588032
Energy: 1.315675609365032
Energy: 1.5232337862596308
Energy: 0.9292596133693325
Energy: 1.136084374280947
Energy: 0.9737108935112949
Energy: 1.136084374282602
Energy: 0.9432793415565688
Energy: 1.1478872626726493
Energy: 1.5403046760672576
Energy: 1.1478872627156806
Energy: 0.9309096986562337
Energy: 1.3512673652471257
Energy: 1.351124537237198
Energy: 1.3512673652462983
Energy: 0.9480765776495014
Energy: 1.5238308769523732
Energy: 1.6624507133666495
Energy: 1.5238308769515458
Energy: 1.2037108546268989
Energy: 1.3560746174365363
Energy: 0.9735193300450952
Energy: 1.3560746174365363
Energy: 0.943336986499544
Energy: 1.147851555212321
Energy: 1.3451340461628045
Energy: 1.1478515552131485
Energy: 1.1951140648293943
Energy: 1.3879773183754727
Energy: 0.9394516541193939
Energy: 1.3879773183804378
Energy: 0.947866495775301
Energy: 1.5236518908389094
Energy: 1.2481000643973443
Energy: 1.5236518908389094
Energy: 1.1887800882960835
Energy: 1.356359804268523
Energy: 0.9444928245721241
Energy: 1.3563598042693505
Energy: 0.9434988289748175
Energy: 1.1628180270909818
Energy: 0.9263413899237376
Energy: 1.1628180270918094
Energy: 1.1795472962653426
Energy: 1.356046570812263
Energy: 0.9480318461470519
Energy: 1.356046570810608
Energy: 0.9773785098851616
Energy: 1.5243177997680954
Energy: 0.9302850570886494
Energy: 1.5243177997680954
Energy: 1.5407567068071166
Energy: 1.685861312031974
Energy: 0.9446447883962519
Energy: 1.685861312030319
Energy: 1.3550656558998762
Energy: 1.3526975493214592
Energy: 0.9308808422175591
Energy: 1.3526975493214592
Energy: 1.3502596641216584
Energy: 1.5236962391751305
Energy: 0.9482217331811742
Energy: 1.523696239175958
Energy: 0.97732477849609
Energy: 1.3360284180990782
Energy: 0.9354045375157123
Energy: 1.336028418098251
Energy: 1.3325049143626164
Energy: 1.6785145849878416
Energy: 0.9444654219206622
Energy: 1.6785145849878416
Energy: 0.94324457161203
Energy: 1.527563256608861
Energy: 1.1950289338848648
Energy: 1.527563256608861
Energy: 0.9384673493308657
Energy: 1.5242249940987251
Energy: 0.9481174573213276
Energy: 1.5242249940987251
Energy: 0.9483488653705926
Energy: 1.3365101704618663
Energy: 1.1889997598426971
Energy: 1.3365101704602111
Energy: 0.9259536527905425
Energy: 1.5672032889099126
Energy: 0.9494093054205486
Energy: 1.5672032889099126
Energy: 0.943744536713605
Energy: 1.357243404127008
Energy: 1.1792181501179448
Energy: 1.3572434041278356
Energy: 0.9308188379908581
Energy: 1.5251774937198077
Energy: 0.9829845511825166
Energy: 1.5251774937206353

minimum gb energy = 0.9259536527905425 eV
minimum distance =  2.23308535471019 Angstroms
sigma value = 15


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

Energy: 1.2271344091639038
Energy: 1.5083395916829758
Energy: 1.6981827980512254
Energy: 1.5083395916843778
Energy: 1.5610413536000733
Energy: 1.3635952219484124
Energy: 0.8840402593660825
Energy: 1.3635952219477112
Energy: 0.9136840438495736
Energy: 1.2060908140341096
Energy: 1.6166866035814684
Energy: 1.2060908140327073
Energy: 1.3748861377009536
Energy: 1.3689049758205865
Energy: 0.8838757492688085
Energy: 1.3689049758205865
Energy: 0.8798053521633282
Energy: 1.5154078686416705
Energy: 0.8604871103661809
Energy: 1.5154078686416705
Energy: 1.0936404435707336
Energy: 1.3649015914645872
Energy: 0.8840174644646391
Energy: 1.3649015914631852
Energy: 0.8830481491223268
Energy: 1.2163254759369198
Energy: 0.9226177207497978
Energy: 1.2163254759362185
Energy: 0.9227452056160165
Energy: 1.218656032145494
Energy: 0.8839720123337904
Energy: 1.2186560321447926
Energy: 0.8864101238740105
Energy: 1.525357218046504
Energy: 1.0929513505699406
Energy: 1.525357218046504
Energy: 0.8534976478020537
Energy: 1.3661755203663222
Energy: 0.880824892583606
Energy: 1.366175520367023
Energy: 0.8832141267077591
Energy: 1.363147944169588
Energy: 1.5277071267053959
Energy: 1.363147944170289
Energy: 0.856557829770066
Energy: 1.2061728560126748
Energy: 0.9146220408211556
Energy: 1.2061728559377285
Energy: 0.886278623219157
Energy: 1.5195617350221575
Energy: 1.5327535246502093
Energy: 1.5195617350221575
Energy: 0.8569302916347418
Energy: 1.5089202637210566
Energy: 1.2275605303509785
Energy: 1.5089202637196546
Energy: 0.8831520601950625
Energy: 1.3633499740751305
Energy: 1.555949973987945
Energy: 1.3633499740744293
Energy: 1.0858843112443393
Energy: 1.2056367162276012
Energy: 0.9145384885931888
Energy: 1.205636716226199
Energy: 0.886332903404438
Energy: 1.519395398602701
Energy: 1.4760359101952527
Energy: 1.519395398602701
Energy: 1.0817392664421777
Energy: 1.5142894205429536
Energy: 0.8807644557521463
Energy: 1.5142894205422524
Energy: 0.8832959171300124
Energy: 1.3651376136302467
Energy: 1.2037884012650948
Energy: 1.3651376136295459
Energy: 1.0774691292165866
Energy: 1.0500475070829713
Energy: 0.883923029450514
Energy: 1.050047507085074
Energy: 0.8865393287334467
Energy: 1.3924323048805052
Energy: 1.122630941020395
Energy: 1.3924323048798042
Energy: 1.0799263726268649
Energy: 1.378466514126616
Energy: 0.8902759538699969
Energy: 1.3784665141273167
Energy: 0.8832880025390698
Energy: 1.0470232107999515
Energy: 0.8537902288873404
Energy: 1.0470232108321351
Energy: 1.4106555383018855
Energy: 1.0475694553017063
Energy: 0.8840757613627666
Energy: 1.0475694553003043
Energy: 0.9169206964718266
Energy: 1.3923793800712463
Energy: 0.8577458932131228
Energy: 1.3923793800712463
Energy: 1.3946765041088462
Energy: 1.5226433842551836
Energy: 0.8902692112358573
Energy: 1.5226433842551836
Energy: 1.2301142622040224
Energy: 1.5061269158145472
Energy: 0.8572460449146111
Energy: 1.5061269158145472
Energy: 1.5510126062290943
Energy: 1.3635678682054713
Energy: 0.8840688182882949
Energy: 1.363567868206172
Energy: 0.9168749119786392
Energy: 1.5472499510858257
Energy: 0.8631407097111559
Energy: 1.5472499510858257
Energy: 1.2035930052469412
Energy: 1.523003945673267
Energy: 0.890243731803151
Energy: 1.5230039456726296
Energy: 0.8832213530235267
Energy: 1.5087230015437243
Energy: 1.0815306131520637
Energy: 1.5087230015430233
Energy: 1.192803334070793
Energy: 1.366848453789023
Energy: 0.8840790879302198
Energy: 1.366848453789023
Energy: 0.8863488976558516
Energy: 1.5393521578516731
Energy: 1.0770980879720702
Energy: 1.5393521578516731
Energy: 0.8603926080492508
Energy: 1.3936935264852943
Energy: 0.8901637486015042
Energy: 1.3936935264852943
Energy: 0.8769505216184807
Energy: 1.5081244714969044
Energy: 1.0793789370743148
Energy: 1.5081244714976054
Energy: 0.8532201143978926
Energy: 1.0458008349324084
Energy: 0.8872099501250883
Energy: 1.0458008349303054
Energy: 0.8865999881255093
Energy: 1.539342120012846
Energy: 1.409899037115585
Energy: 1.539342120012846

minimum gb energy = 0.8532201143978926 eV
minimum distance =  2.26799718336963 Angstroms
sigma value = 85


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

Energy: 1.1563707149887066
Energy: 1.4114191601140678
Energy: 1.0685036835886133
Energy: 1.4114191601134596
Energy: 1.6641347133112434
Energy: 1.2690343961830504
Energy: 0.8112171913554604
Energy: 1.2690343961830504
Energy: 1.109205282140375
Energy: 1.1104799700519545
Energy: 1.0683282113865682
Energy: 1.1104799700519545
Energy: 1.3834662951483436
Energy: 0.9799012257248989
Energy: 0.8108613853573117
Energy: 0.9799012257242908
Energy: 0.8502554848847098
Energy: 1.0777948199637362
Energy: 0.7707416231806128
Energy: 1.0777948199655605
Energy: 1.2300405046994887
Energy: 0.9840260224283164
Energy: 0.810888388488978
Energy: 0.9840260224283164
Energy: 0.8069449962257048
Energy: 1.1317332528062845
Energy: 0.8909547633831536
Energy: 1.1317332528056765
Energy: 1.0723767649738158
Energy: 1.2688125303975113
Energy: 0.810940432858115
Energy: 1.2688125303981193
Energy: 0.8101239972227151
Energy: 1.0922278532605423
Energy: 1.0378899337035963
Energy: 1.0922278532611502
Energy: 0.9282899848396
Energy: 1.131718287064459
Energy: 0.8078414009720127
Energy: 1.131718287064459
Energy: 0.8105961222351029
Energy: 0.9836912878184566
Energy: 1.184354376431705
Energy: 0.9836912878178488
Energy: 0.7715679091152468
Energy: 0.9805945099210621
Energy: 0.851156463068052
Energy: 0.980594509922278
Energy: 0.8104947958828569
Energy: 1.0926093931115173
Energy: 1.3981810196922002
Energy: 1.0926093931115173
Energy: 0.7744012516156381
Energy: 1.1100634299753405
Energy: 1.1102720730306266
Energy: 1.1100634299759484
Energy: 0.8105886577159129
Energy: 1.2686892736355802
Energy: 1.5201442398699636
Energy: 1.2686892736349724
Energy: 0.7734738691909072
Energy: 1.4118436910638643
Energy: 1.1572104192424049
Energy: 1.4118436910638643
Energy: 0.8102525763326848
Energy: 1.0927145165834165
Energy: 1.5213990615391397
Energy: 1.092714516581012
Energy: 0.977655427642613
Energy: 1.110087325915333
Energy: 1.1102699134904384
Energy: 1.110087325915941
Energy: 0.8106185795044464
Energy: 1.2685328889513043
Energy: 1.3831414672712725
Energy: 1.2685328889513043
Energy: 0.9683023062637724
Energy: 1.4365157858905695
Energy: 0.8509773210896453
Energy: 1.4365157858905695
Energy: 0.8102025333689786
Energy: 1.0938833239380628
Energy: 1.2297307012974887
Energy: 1.0938833239374548
Energy: 0.9664182538946882
Energy: 1.1359261477454483
Energy: 0.8078781501868961
Energy: 1.1359261477454483
Energy: 0.810422706024513
Energy: 1.2688818416755645
Energy: 1.0729907203236728
Energy: 1.2688818416755645
Energy: 0.9722451728285365
Energy: 1.005644190635317
Energy: 0.8109231273185747
Energy: 1.005644187370558
Energy: 0.8103524760370585
Energy: 0.9798821350736162
Energy: 0.925829653270599
Energy: 0.9798821350736162
Energy: 1.2624590357690335
Energy: 1.110320509197794
Energy: 0.8118662392499707
Energy: 1.110320509197186
Energy: 0.853288237023423
Energy: 0.9802586885634084
Energy: 0.7712401771329113
Energy: 0.9802586885640163
Energy: 1.2572830635868082
Energy: 1.432569959898445
Energy: 0.8102558375690748
Energy: 1.432569959898445
Energy: 1.112523432289359
Energy: 1.1105027018200706
Energy: 0.7745710685044574
Energy: 1.1105027018206788
Energy: 1.5212282294966273
Energy: 1.268394745123538
Energy: 0.8119152603925314
Energy: 1.268394745123538
Energy: 1.1594091887881435
Energy: 1.4129025637482708
Energy: 0.7738922025143817
Energy: 1.4129025637482708
Energy: 1.406420819495074
Energy: 1.432490804716943
Energy: 0.8110868543322715
Energy: 1.432490804716335
Energy: 1.1127779593208635
Energy: 1.1102237923442801
Energy: 0.784301123941075
Energy: 1.1102237923442801
Energy: 1.3836159630405396
Energy: 1.2684771698011612
Energy: 0.810064659901911
Energy: 1.2684771698011612
Energy: 0.8536267486861865
Energy: 1.4371940436310893
Energy: 0.9686595181611124
Energy: 1.4371940436310893
Energy: 1.0781726662067028
Energy: 1.4256800046620903
Energy: 0.8111442157244668
Energy: 1.4256800046620903
Energy: 0.810526773369926
Energy: 1.109834200329558
Energy: 0.9658509934780081
Energy: 1.109834200335638
Energy: 1.0644846995557735
Energy: 1.1101484386891594
Energy: 0.811817062677081
Energy: 1.1101484386897673
Energy: 0.8104918946928878
Energy: 1.399275590018483
Energy: 0.9723079150783261
Energy: 1.3992755900190907
Energy: 0.7801170381916883
Energy: 1.3194588105476615
Energy: 0.8071147150700492
Energy: 1.3194588105476615
Energy: 0.8101773281272483
Energy: 1.1103861297405735
Energy: 1.2620924838227263
Energy: 1.1103861297405735
Energy: 0.7709115900623835
Energy: 0.9798174721455143
Energy: 0.8502494803020124
Energy: 0.9798174721455143
Energy: 0.8106453896623809
Energy: 1.3995574826353276
Energy: 1.2568940664985109
Energy: 1.3995574826359356

minimum gb energy = 0.7707416231806128 eV
minimum distance =  2.25678072316518 Angstroms
sigma value = 113


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

Energy: 0.020522327700621297
Energy: 0.021436220679549756
Energy: 1.2239735595540788
Energy: 0.021436220680017163
Energy: 1.2229119851738237
Energy: 0.4553860724446103
Energy: 0.4546869401446844
Energy: 0.4553860724450777
Energy: 0.020522327700621297
Energy: 0.021436220679082352
Energy: 1.2239736262943213
Energy: 0.021436220680017163
Energy: 1.2229119851738237
Energy: 0.4553860724446103
Energy: 0.4546869400441411
Energy: 0.4553860724446103
Energy: 0.020522327700153897
Energy: 0.021436220679082352
Energy: 1.223644332838843
Energy: 0.021436220679549756
Energy: 1.2229119851738237
Energy: 0.4553860724450777
Energy: 0.45468694028672263
Energy: 0.4553860724450777

minimum gb energy = 0.020522327700153897 eV
minimum distance =  2.48492838952636 Angstroms
sigma value = 1