Model name: model_name=MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650778174401
cohesive_energy=3.3602642530493245
mass=26.981538
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: 0.010383043530333674
Energy: 0.010867732414000549
Energy: 0.3829921738370266
Energy: 0.010867732414000549
Energy: 0.010867732414000549
Energy: 0.5098363553860028
Energy: 0.010867732413499507
Energy: 0.5098363553860028
Energy: 0.3829921738370266
Energy: 0.010867732414000549
Energy: 0.010383043530333674
Energy: 0.010867732413499507
Energy: 0.010867732414000549
Energy: 0.5098363553860028
Energy: 0.010867732413499507
Energy: 0.5098363553860028

minimum gb energy = 0.010383043530333674 eV
minimum distance =  2.70790587713062 Angstroms
sigma value = 1


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

Energy: 0.5704767747190189
Energy: 0.5618985164642245
Energy: 0.6020731788738576
Energy: 0.5618985164642245
Energy: 0.5593967977508575
Energy: 0.5699629555292564
Energy: 0.5405314260034872
Energy: 0.5699629555292564
Energy: 0.5349373318875524
Energy: 0.5539260353947284
Energy: 0.5540865229595886
Energy: 0.5539260353947284
Energy: 0.5431621429653513
Energy: 0.5730554841081706
Energy: 0.5444383806241652
Energy: 0.5730554841087783
Energy: 0.5448650076155275
Energy: 0.5683470588307648
Energy: 0.5666098797552446
Energy: 0.5683470588301571
Energy: 0.539034381571825
Energy: 0.625916931569749
Energy: 0.5355918239762525
Energy: 0.6259169315703567
Energy: 0.5610385397034386
Energy: 0.5521686547197954
Energy: 0.5395169937751135
Energy: 0.5521686547197954
Energy: 0.5243299783228393
Energy: 0.5659030938581449
Energy: 0.5367801948955193
Energy: 0.5659030938581449
Energy: 0.5442248107365953
Energy: 0.5507513285915122
Energy: 0.5627721249692619
Energy: 0.55075132859212
Energy: 0.5396696685932254
Energy: 0.5532101941106408
Energy: 0.5247977686408134
Energy: 0.5532101941106408
Energy: 0.5359996257933753
Energy: 0.5680717526940022
Energy: 0.5442157525454283
Energy: 0.5680717526946097
Energy: 0.5735591100367977
Energy: 0.5658397867078746
Energy: 0.5443214486214273
Energy: 0.5658397867078746
Energy: 0.5395208497570922
Energy: 0.5541740875511506
Energy: 0.5610926488806286
Energy: 0.5541740875517582
Energy: 0.5519879107467406
Energy: 0.5620131657925038
Energy: 0.542956638614626
Energy: 0.5620131657925038
Energy: 0.5568859719724853
Energy: 0.5668437319928075
Energy: 0.5485244686876172
Energy: 0.5668437319928075
Energy: 0.5559271189665592
Energy: 0.5619142806990841
Energy: 0.5521689979581397
Energy: 0.5619142806984764
Energy: 0.553464622996414
Energy: 0.5538392337786067
Energy: 0.5340395751976481
Energy: 0.5538392337786067
Energy: 0.5406197376610096
Energy: 0.5624065595015231
Energy: 0.5727050920307359
Energy: 0.5624065595015231
Energy: 0.5508882910104399
Energy: 0.564175251686711
Energy: 0.545742606221548
Energy: 0.564175251686711
Energy: 0.5515924135691587
Energy: 0.6253048605898051
Energy: 0.5451496708712693
Energy: 0.6253048605891973
Energy: 0.5402222295823568
Energy: 0.5538157218832871
Energy: 0.5294666666309275
Energy: 0.5538157218826794
Energy: 0.5443520299497627
Energy: 0.636255522727855
Energy: 0.5519736891823255
Energy: 0.636255522727855
Energy: 0.5526281897791022
Energy: 0.5683339623400996
Energy: 0.5340171526430062
Energy: 0.5683339623400996
Energy: 0.5483522684332023
Energy: 0.5535437278590921
Energy: 0.5390339952270954
Energy: 0.5535437278596997
Energy: 0.5395320229606213
Energy: 0.6277351699684403
Energy: 0.5617355515680317
Energy: 0.6277351699684403
Energy: 0.5467756009317288
Energy: 0.565778734566326
Energy: 0.5451736690961232
Energy: 0.5657787345657183
Energy: 0.5424586527291194
Energy: 0.6220192402758898
Energy: 0.5442853762569089
Energy: 0.6220192402752821
Energy: 0.5360272881898276
Energy: 0.5521722989407746
Energy: 0.5596272957258577
Energy: 0.5521722989407746
Energy: 0.5589392440378027
Energy: 0.5678232059341638
Energy: 0.5511700246816498
Energy: 0.5678232059335561
Energy: 0.5709483567531803
Energy: 0.5624306899345346
Energy: 0.5760295514770003
Energy: 0.562430689933927
Energy: 0.5546066695661663
Energy: 0.5601845616044429
Energy: 0.5394421333295795
Energy: 0.5601845616038352
Energy: 0.5460951323671401
Energy: 0.5563131668220682
Energy: 0.5521571661279986
Energy: 0.5563131668220682
Energy: 0.5447240223874119
Energy: 0.574441822175536
Energy: 0.5460561271171542
Energy: 0.5744418221749282

minimum gb energy = 0.5243299783228393 eV
minimum distance =  2.57511081079488 Angstroms
sigma value = 1


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

Energy: 0.5946201118505429
Energy: 0.603951343228787
Energy: 0.6448147890128698
Energy: 0.6039513432280942
Energy: 0.5747385281406922
Energy: 0.5950341987882033
Energy: 0.5582665319575534
Energy: 0.5950341987875104
Energy: 0.5695414743819929
Energy: 0.6069421662508089
Energy: 0.5691136492589495
Energy: 0.6069421662515018
Energy: 0.5601175796083621
Energy: 0.6036263831270154
Energy: 0.5582118666666497
Energy: 0.6036263831256297
Energy: 0.5602381624193552
Energy: 0.5898762765175471
Energy: 0.5741155496505782
Energy: 0.5898762765189328
Energy: 0.6032637195122689
Energy: 0.5913632142635622
Energy: 0.5549956948839303
Energy: 0.5913632142628694
Energy: 0.5748466780502856
Energy: 0.636314704081499
Energy: 0.5648357698851619
Energy: 0.636314704081499
Energy: 0.5457411088410635
Energy: 0.6050390260773234
Energy: 0.5626069081141684
Energy: 0.6050390260766306
Energy: 0.5598084099205798
Energy: 0.6710965971727896
Energy: 0.5475189440793572
Energy: 0.6710965971720967
Energy: 0.5654143891287837
Energy: 0.6050687060345948
Energy: 0.5567445777770177
Energy: 0.605068706033902
Energy: 0.5747741817078118
Energy: 0.5856193605810315
Energy: 0.5604842112105975
Energy: 0.5856193605810315
Energy: 0.5524800438099607
Energy: 0.5963020336482512
Energy: 0.5900818779841018
Energy: 0.5963020336482512
Energy: 0.5803892143825299
Energy: 0.5875514756623526
Energy: 0.5669897269195009
Energy: 0.5875514756616597
Energy: 0.5798320478894498
Energy: 0.5875427420551016
Energy: 0.5681860102830805
Energy: 0.5875427420557945
Energy: 0.5525130408862815
Energy: 0.5963004583812237
Energy: 0.5692128449026898
Energy: 0.5963004583812237
Energy: 0.5748325822264957
Energy: 0.5858754311015253
Energy: 0.5582132323062307
Energy: 0.5858754311008326
Energy: 0.5652357586500218
Energy: 0.6062826957158794
Energy: 0.5596927141490579
Energy: 0.6062826957165722
Energy: 0.5598177054424488
Energy: 0.6711060625165265
Energy: 0.547561673086172
Energy: 0.6711060625172193
Energy: 0.5457260380908913
Energy: 0.6049091906760604
Energy: 0.5610086897362502
Energy: 0.6049091906753676
Energy: 0.5747089480147783
Energy: 0.6363690520153918
Energy: 0.5585992172705826
Energy: 0.6363690520153918
Energy: 0.6033152530199184
Energy: 0.5898330820015816
Energy: 0.5537452968061747
Energy: 0.5898330820036601
Energy: 0.5599991339291306
Energy: 0.5898654676360947
Energy: 0.5549109682799596
Energy: 0.5898654676340161
Energy: 0.5602064776992125
Energy: 0.6035867868764409
Energy: 0.5583077847863301
Energy: 0.6035867868743624
Energy: 0.5696436653957923
Energy: 0.606824766692075
Energy: 0.5692259992683847
Energy: 0.6068247666913821
Energy: 0.5748018808780267
Energy: 0.5942778597169779
Energy: 0.5582280697412015
Energy: 0.5942778597155922
Energy: 0.5946201118498501
Energy: 0.603951343228787
Energy: 0.6236471507871794
Energy: 0.6039513432280942
Energy: 0.5747385281406922
Energy: 0.5950341987888961
Energy: 0.5582665319568605
Energy: 0.5950341987875104
Energy: 0.5695414743819929
Energy: 0.6069421662508089
Energy: 0.5784691926771579
Energy: 0.6069421662515018
Energy: 0.5601175796076693
Energy: 0.6036263831270154
Energy: 0.5584174796166524
Energy: 0.603626383124937

minimum gb energy = 0.5457260380908913 eV
minimum distance =  2.5240874400176 Angstroms
sigma value = 25


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

Energy: 0.6085052523217089
Energy: 0.6264341678650799
Energy: 0.714803673782318
Energy: 0.6264341678650799
Energy: 0.5801220682307869
Energy: 0.627494876815812
Energy: 0.5876971470601469
Energy: 0.627494876815812
Energy: 0.5785110416437187
Energy: 0.6524321971082659
Energy: 0.5884696257325753
Energy: 0.6524321971074605
Energy: 0.5878644317390609
Energy: 0.6441148687096955
Energy: 0.5789761104325173
Energy: 0.6441148687105007
Energy: 0.5809757493162933
Energy: 0.6284402661919045
Energy: 0.5821387731479597
Energy: 0.6284402661919045
Energy: 0.6345261626365841
Energy: 0.6534170363261427
Energy: 0.592979366977294
Energy: 0.6534170363261427
Energy: 0.5788277314989144
Energy: 0.6756337757896976
Energy: 0.5935108619056457
Energy: 0.6756337757896976
Energy: 0.6814419160524892
Energy: 0.6281431284866746
Energy: 0.5708699805500916
Energy: 0.62814312848748
Energy: 0.5936073922511205
Energy: 0.6093399823640695
Energy: 0.5787026671894289
Energy: 0.6093399823640695
Energy: 0.5978918561652137
Energy: 0.6533710942832309
Energy: 0.5761346097958965
Energy: 0.6533710942824255
Energy: 0.5938801544454313
Energy: 0.6256984332933484
Energy: 0.5857140830918456
Energy: 0.6256984332933484
Energy: 0.5709509483683652
Energy: 0.6265273118105952
Energy: 0.5856288124342416
Energy: 0.6265273118105952
Energy: 0.588482308099038
Energy: 0.645245773595523
Energy: 0.5758387120722798
Energy: 0.645245773595523
Energy: 0.593843939602084
Energy: 0.640541752354013
Energy: 0.5803495271976731
Energy: 0.640541752354013
Energy: 0.5844426900744847
Energy: 0.6287134596015582
Energy: 0.5699489980257321
Energy: 0.6287134596007528
Energy: 0.5785720663399426
Energy: 0.5892694767614295
Energy: 0.5808740409279571
Energy: 0.5892694767614295
Energy: 0.5696254640761407
Energy: 0.652488320868849
Energy: 0.5670808890871961
Energy: 0.6524883208696544
Energy: 0.5789385058661995
Energy: 0.6152738916637535
Energy: 0.5804587933384087
Energy: 0.6152738916637535
Energy: 0.5775250525212761
Energy: 0.6450850595695227
Energy: 0.5811288141747672
Energy: 0.6450850595695227
Energy: 0.5930388156431106
Energy: 0.6545066801203692
Energy: 0.5862231923858051
Energy: 0.6545066801203692
Energy: 0.5912529906620222
Energy: 0.6272949543195531
Energy: 0.5857242273155253
Energy: 0.6272949543195531
Energy: 0.6093905970224276
Energy: 0.6276186931062567
Energy: 0.6363509675413096
Energy: 0.6276186931062567
Energy: 0.5787689095548554
Energy: 0.6150797637756985
Energy: 0.5862074916724023
Energy: 0.6150797637748932
Energy: 0.5818485139679088
Energy: 0.6518097903351678
Energy: 0.5968848787717331
Energy: 0.6518097903343624
Energy: 0.5859490457133573
Energy: 0.6244384845297658
Energy: 0.5788377341463387
Energy: 0.6244384845297658

minimum gb energy = 0.5670808890871961 eV
minimum distance =  2.52529787445444 Angstroms
sigma value = 9


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

Energy: 0.6160959466071938
Energy: 0.682827050991071
Energy: 0.7739232137831319
Energy: 0.682827050991071
Energy: 0.6073124905623675
Energy: 0.6472271570864652
Energy: 0.5971573780326946
Energy: 0.6472271570864652
Energy: 0.5906497903908271
Energy: 0.6856670195566783
Energy: 0.597217724017442
Energy: 0.6856670195566783
Energy: 0.5967017892458322
Energy: 0.7000625253742707
Energy: 0.5960956862556129
Energy: 0.7000625253742707
Energy: 0.663091910201849
Energy: 0.6444893958996545
Energy: 0.5975584132861297
Energy: 0.6444893958996545
Energy: 0.5843584079970522
Energy: 0.686154170368281
Energy: 0.5979199461938608
Energy: 0.686154170368281
Energy: 0.5963916405479823
Energy: 0.5949882623107523
Energy: 0.5954731770440939
Energy: 0.5949882623107523
Energy: 0.6590691926998938
Energy: 0.6860392629739541
Energy: 0.5935818965315041
Energy: 0.6860392629739541
Energy: 0.5963804828394155
Energy: 0.6470293362263845
Energy: 0.5974660493984498
Energy: 0.6470293362263845
Energy: 0.5965438714626745
Energy: 0.6819609215635282
Energy: 0.5980969367420103
Energy: 0.6819609215635282
Energy: 0.589089199496143
Energy: 0.6722605801466556
Energy: 0.6038939017618813
Energy: 0.6722605801456949
Energy: 0.596889801222188
Energy: 0.6551093193814916
Energy: 0.5960433626452322
Energy: 0.6551093193814916
Energy: 0.5843450303125368
Energy: 0.6859123164796858
Energy: 0.6181030455206471
Energy: 0.6859123164796858
Energy: 0.6235804692685865
Energy: 0.6010178639893731
Energy: 0.5971757099718094
Energy: 0.6010178639893731
Energy: 0.5843553195167369
Energy: 0.6857415375100835
Energy: 0.6578221911153154
Energy: 0.6857415375091226
Energy: 0.5967928898966199
Energy: 0.6547217078578484
Energy: 0.5960998518720035
Energy: 0.6547217078568875
Energy: 0.58909380026936
Energy: 0.6722236763434604
Energy: 0.5972067142691286
Energy: 0.6722236763444213
Energy: 0.5966145935908044
Energy: 0.6819290932369365
Energy: 0.5981554265013054
Energy: 0.6819290932369365
Energy: 0.5963682736660727
Energy: 0.6470620166640437
Energy: 0.597495738213557
Energy: 0.6470620166640437
Energy: 0.6590536002589726
Energy: 0.6860245323360239
Energy: 0.5935107817788295
Energy: 0.686024532335063
Energy: 0.5963845020955406
Energy: 0.5949190813150501
Energy: 0.5955621338387352
Energy: 0.5949190813160109

minimum gb energy = 0.5843450303125368 eV
minimum distance =  2.65167088591594 Angstroms
sigma value = 25


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

Energy: 0.6039865700996425
Energy: 0.7081747904243534
Energy: 0.6886398972047736
Energy: 0.7081747904243534
Energy: 0.5929613801508292
Energy: 0.6013748756500057
Energy: 0.5880140431615062
Energy: 0.6013748756500057
Energy: 0.5880566565742653
Energy: 0.6577226621705088
Energy: 0.595126147007753
Energy: 0.6577226621669443
Energy: 0.603225379033609
Energy: 0.6585471144000989
Energy: 0.6778225890361217
Energy: 0.6585471144000989
Energy: 0.6788525183092871
Energy: 0.5928444413074151
Energy: 0.6122702711333886
Energy: 0.5928444413074151
Energy: 0.5903516250122337
Energy: 0.7330787200727522
Energy: 0.5886919314895326
Energy: 0.7330787200727522
Energy: 0.587970585035866
Energy: 0.6571249616472039
Energy: 0.5876487411059967
Energy: 0.6571249616472039
Energy: 0.6707588393266163
Energy: 0.7087515319240101
Energy: 0.6031825685310621
Energy: 0.7087515319240101
Energy: 0.5950332360213128
Energy: 0.6597776547179454
Energy: 0.5931155209519183
Energy: 0.6597776547179454
Energy: 0.6898689667658298
Energy: 0.6733581607394753
Energy: 0.5902701767406787
Energy: 0.6733581607406636
Energy: 0.5945311227443946
Energy: 0.7081459758537546
Energy: 0.7577204807314564
Energy: 0.7081459758537546
Energy: 0.588153766227001
Energy: 0.6073624446470176
Energy: 0.69028383912461
Energy: 0.6073624446470176
Energy: 0.6798767131648408
Energy: 0.67298287130836
Energy: 0.5876105053801992
Energy: 0.67298287130836
Energy: 0.587837917532279
Energy: 0.6630646911330338
Energy: 0.6034947875245451
Energy: 0.6630646911330338
Energy: 0.587877365247615
Energy: 0.7077608776460795
Energy: 0.6710253192200817
Energy: 0.7077608776460795
Energy: 0.5952477549882719
Energy: 0.6731056048338697
Energy: 0.5903628313798422
Energy: 0.6731056048338697
Energy: 0.5950812337711479
Energy: 0.6258629147188959
Energy: 0.6892463159045102
Energy: 0.6258629147188959

minimum gb energy = 0.5876105053801992 eV
minimum distance =  2.61373551773212 Angstroms
sigma value = 17


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

Energy: 0.659116379512737
Energy: 0.6599090047162417
Energy: 0.8189701387218387
Energy: 0.6599090047162417
Energy: 0.6848416741408478
Energy: 0.6292023495732427
Energy: 0.6006733600044393
Energy: 0.6292023495732427
Energy: 0.6905019252963568
Energy: 0.6579634935310135
Energy: 0.604371537989987
Energy: 0.6579634935303403
Energy: 0.5998913119762904
Energy: 0.6053122645827667
Energy: 0.6496985700454339
Energy: 0.6053122645827667
Energy: 0.7024143362685504
Energy: 0.6746621639056344
Energy: 0.6009209686165788
Energy: 0.6746621639063073
Energy: 0.604509669367198
Energy: 0.613157995846449
Energy: 0.6856488952543078
Energy: 0.613157995846449
Energy: 0.601439382069356
Energy: 0.6547514088077593
Energy: 0.6045919197143469
Energy: 0.6547514088077593
Energy: 0.6844130788845126
Energy: 0.6044725916540374
Energy: 0.6063401449848658
Energy: 0.6044725916540374
Energy: 0.6047801363720476
Energy: 0.6768316526536199
Energy: 0.6943627583860804
Energy: 0.6768316526536199
Energy: 0.7459302843307464
Energy: 0.6348449279997275
Energy: 0.6027743473795681
Energy: 0.6348449280004003
Energy: 0.6005969542957093
Energy: 0.6053833344476235
Energy: 0.6919391049004378
Energy: 0.6053833344476235
Energy: 0.6052247345111117
Energy: 0.6523328999001149
Energy: 0.6053001575483624
Energy: 0.6523328999001149
Energy: 0.6857386105644884
Energy: 0.6058718415374329
Energy: 0.6047194104722863
Energy: 0.6058718415381058
Energy: 0.6025951733205217
Energy: 0.7092239620079951
Energy: 0.6846769366696334
Energy: 0.709223962010014
Energy: 0.6521912898344862
Energy: 0.6545815653168982
Energy: 0.6053924888398652
Energy: 0.6545815653168982
Energy: 0.6849875092111439
Energy: 0.6048945675843893
Energy: 0.6997883572833036
Energy: 0.6048945675843893
Energy: 0.6045962956689801
Energy: 0.6427013318938489
Energy: 0.6977786870739465
Energy: 0.642701331893176
Energy: 0.6835010556064437
Energy: 0.6576348376294641
Energy: 0.6043150007207407
Energy: 0.6576348376294641
Energy: 0.600975527832867
Energy: 0.6583967557888519
Energy: 0.6455113230551978
Energy: 0.6583967557888519
Energy: 0.6005883580476074
Energy: 0.6050260394335257
Energy: 0.6000879908151289
Energy: 0.6050260394335257
Energy: 0.6491246867140648
Energy: 0.6582443371629477
Energy: 0.6908011849628771
Energy: 0.6582443371629477
Energy: 0.6016813906685446
Energy: 0.6885805556544049
Energy: 0.745477918177386
Energy: 0.6885805556550778
Energy: 0.6806906576806824
Energy: 0.6597264875191694
Energy: 0.5988372030202468
Energy: 0.6597264875198118
Energy: 0.6038257567225193
Energy: 0.6561955608327249
Energy: 0.6834235042764623
Energy: 0.6561955608327249
Energy: 0.6039390001014567
Energy: 0.6579339670550934
Energy: 0.6818732332309134
Energy: 0.6579339670557662
Energy: 0.6964397784541979
Energy: 0.6046647873405985
Energy: 0.5994971914889314
Energy: 0.6046647873405985
Energy: 0.6072635668825019
Energy: 0.6891528952386897
Energy: 0.7583167107487285
Energy: 0.6891528952380169
Energy: 0.6862116965726125
Energy: 0.6131268744291172
Energy: 0.691420323014331
Energy: 0.6131268744277711
Energy: 0.7282056856266748
Energy: 0.6061673250761342
Energy: 0.6012866803510596
Energy: 0.6061673250727696
Energy: 0.6046772611845977
Energy: 0.6778223529112327
Energy: 0.6853407391482487
Energy: 0.6778223529119056

minimum gb energy = 0.5988372030202468 eV
minimum distance =  2.49949548387057 Angstroms
sigma value = 53


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

Energy: 0.5521298838418337
Energy: 0.5523120178477645
Energy: 0.8565279538529852
Energy: 0.5523120178477645
Energy: 0.6725868495282088
Energy: 0.6007979369342826
Energy: 0.6464585808420437
Energy: 0.6007979369342826
Energy: 0.5528917799937126
Energy: 0.552648162472955
Energy: 0.640370179072126
Energy: 0.552648162472955
Energy: 0.5527955391892101
Energy: 0.5526727384142868
Energy: 0.5739112773770105
Energy: 0.5526727384142868
Energy: 0.6726400691200062
Energy: 0.600790781925026
Energy: 0.6578713506891549
Energy: 0.6007907819265752
Energy: 0.5521298838418337
Energy: 0.5523120178477645
Energy: 0.9075295139513416
Energy: 0.5523120178477645
Energy: 0.6725868495282088
Energy: 0.6007979369342826
Energy: 0.6670609761842023
Energy: 0.6007979369342826
Energy: 0.5528917799937126
Energy: 0.552648162472955
Energy: 0.640370179072126
Energy: 0.552648162472955
Energy: 0.5527955391892101
Energy: 0.5526727384142868
Energy: 0.6476922305658243
Energy: 0.5526727384142868
Energy: 0.6726400691215554
Energy: 0.6007907819265752
Energy: 0.6470849154835159
Energy: 0.6007907819265752
Energy: 0.5521298838418337
Energy: 0.5523120178477645
Energy: 0.7696176719910975
Energy: 0.5523120178477645
Energy: 0.6725868495282088
Energy: 0.6007979369342826
Energy: 0.6670609761842023
Energy: 0.6007979369342826
Energy: 0.5528917799937126
Energy: 0.552648162472955
Energy: 0.667067262527707
Energy: 0.552648162472955

minimum gb energy = 0.5521298838418337 eV
minimum distance =  2.60636421589237 Angstroms
sigma value = 9


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

Energy: 0.6202486283371451
Energy: 0.6289943889518426
Energy: 0.8284186799030382
Energy: 0.6289943889524161
Energy: 0.7513619163350007
Energy: 0.65027783569859
Energy: 0.6342978333293584
Energy: 0.6502778356991635
Energy: 0.6278158124267124
Energy: 0.6144921229146899
Energy: 0.6377709052796343
Energy: 0.6144921229158367
Energy: 0.7029335479045119
Energy: 0.7303735953482408
Energy: 0.6352673767990531
Energy: 0.7303735953482408
Energy: 0.6925487658301156
Energy: 0.6414755966513226
Energy: 0.632997755050223
Energy: 0.641475596651896
Energy: 0.6142682761955485
Energy: 0.6140531196353294
Energy: 0.7254371732247508
Energy: 0.6140531196359027
Energy: 0.8224310293087017
Energy: 0.6383383815122505
Energy: 0.6348978951761024
Energy: 0.638338381511677
Energy: 0.6296651231576985
Energy: 0.6833378486548908
Energy: 0.688020425615119
Energy: 0.6833378486548908
Energy: 0.6293496923347887
Energy: 0.7319079765018662
Energy: 0.6216547699579549
Energy: 0.7319079765018662
Energy: 0.6273335060958578
Energy: 0.642805293292384
Energy: 0.6284853523189389
Energy: 0.6428052932929574
Energy: 0.6334884231170276
Energy: 0.7237129308087608
Energy: 0.7906301173386028
Energy: 0.7237129308087608
Energy: 0.6891447506965299
Energy: 0.7603323127336595
Energy: 0.6351320284055905
Energy: 0.7603323127325128
Energy: 0.6306509172380457
Energy: 0.6794992519839828
Energy: 0.729270257739984
Energy: 0.6794992519845561
Energy: 0.7244189035155605
Energy: 0.7238701730532333
Energy: 0.6246641672104323
Energy: 0.7238701730532333
Energy: 0.635143071358577
Energy: 0.6885761461909805
Energy: 0.649270153179025
Energy: 0.6885761461909805
Energy: 0.6355356207306158
Energy: 0.7323739448249386
Energy: 0.7134727785707264
Energy: 0.7323739448249386
Energy: 0.6507755913849897
Energy: 0.6885704554686045
Energy: 0.6316104093356859
Energy: 0.6885704554686045
Energy: 0.6344550565330882
Energy: 0.6385573273617268
Energy: 0.7198652226377534
Energy: 0.6385573273617268
Energy: 0.699549609952676
Energy: 0.6797262396916794
Energy: 0.6158842373641745
Energy: 0.6797262396916794
Energy: 0.6359986522443124
Energy: 0.649668609309402
Energy: 0.6957902172012511
Energy: 0.6496686093088285
Energy: 0.6861796843807656
Energy: 0.7257657278144997
Energy: 0.6890668296988591
Energy: 0.725765727815073
Energy: 0.6528859555276572
Energy: 0.6823446842793575
Energy: 0.6298509762549436
Energy: 0.6823446842793575
Energy: 0.6219365366393604
Energy: 0.6790393248572247
Energy: 0.6316051807414647
Energy: 0.6790393248566514
Energy: 0.7815852285097181
Energy: 0.6838042302561194
Energy: 0.6300323946930383
Energy: 0.6838042302566927
Energy: 0.6348644118856358
Energy: 0.760200811524822
Energy: 0.7806124429804288
Energy: 0.7602008115242486
Energy: 0.680224678356072
Energy: 0.6147841538998787
Energy: 0.6294520494177304
Energy: 0.6147841539010254
Energy: 0.645949180370909
Energy: 0.6532242893389779
Energy: 0.7081974289091115
Energy: 0.6532242893389779
Energy: 0.6295376340427495
Energy: 0.7221361809882472
Energy: 0.722457402687017
Energy: 0.7221361809876737
Energy: 0.677157118833256
Energy: 0.6144296478833039
Energy: 0.6285411783326624
Energy: 0.6144296478844505
Energy: 0.634143052237082
Energy: 0.7903385714940071
Energy: 0.7812169028586697
Energy: 0.7903385714940071
Energy: 0.7779444289300632
Energy: 0.7275080424867563
Energy: 0.6290879757651736
Energy: 0.7275080424867563
Energy: 0.6250473427644198
Energy: 0.6430599576198571
Energy: 0.6295102446223562
Energy: 0.6430599576198571
Energy: 0.6272576373897596
Energy: 0.6818146816655225
Energy: 0.6281431566786195
Energy: 0.6818146816649492
Energy: 0.6856890501038776
Energy: 0.7232325053308846
Energy: 0.7139417931688887
Energy: 0.723232505331458
Energy: 0.6449289032955718
Energy: 0.6920904470653114
Energy: 0.8215746201516156
Energy: 0.6920904470647381

minimum gb energy = 0.6140531196353294 eV
minimum distance =  2.55596917796376 Angstroms
sigma value = 73


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

Energy: 0.6637535208755376
Energy: 0.6260285699134466
Energy: 0.8383123331972778
Energy: 0.626028569912537
Energy: 0.6354330513522577
Energy: 0.6565392941600343
Energy: 0.629078836796489
Energy: 0.6565392941600343
Energy: 0.6341300156175409
Energy: 0.6299912198626083
Energy: 0.619841711272396
Energy: 0.6299912198626083
Energy: 0.639753536446596
Energy: 0.6282365722021446
Energy: 0.644447938491312
Energy: 0.6282365722021446
Energy: 0.6554098976008521
Energy: 0.6589271236124659
Energy: 0.6199933862407814
Energy: 0.6589271236133756
Energy: 0.6374117313986484
Energy: 0.6210681040561601
Energy: 0.7849462996156078
Energy: 0.6210681040561601
Energy: 0.7625358311516769
Energy: 0.7054535895166967
Energy: 0.639241759079842
Energy: 0.7054535895166967
Energy: 0.6327304791867624
Energy: 0.6147082320476672
Energy: 0.6948164483402166
Energy: 0.6147082320476672
Energy: 0.840495929659577
Energy: 0.6164384153371564
Energy: 0.6169690233103836
Energy: 0.6164384153362468
Energy: 0.6276789946645857
Energy: 0.6599529922216514
Energy: 0.6169162731837501
Energy: 0.6599529922207418
Energy: 0.6290056683742813
Energy: 0.6166341417022305
Energy: 0.7694309418034594
Energy: 0.6166341417022305
Energy: 0.6758324045594163
Energy: 0.6256866333127016
Energy: 0.6399093074718434
Energy: 0.6256866333127016
Energy: 0.6317035031961173
Energy: 0.6496088420229531
Energy: 0.729110325216136
Energy: 0.6496088420229531
Energy: 0.7818058358428975
Energy: 0.6862921266909315
Energy: 0.6401646770870631
Energy: 0.6862921266900218
Energy: 0.6340814465023183
Energy: 0.6652975500944455
Energy: 0.7348005587798853
Energy: 0.6652975500944455
Energy: 0.7718677553697485
Energy: 0.6158951742500722
Energy: 0.6339665076849479
Energy: 0.6158951742500722
Energy: 0.6675332977317306
Energy: 0.679222897841382
Energy: 0.6342849582382922
Energy: 0.679222897841382
Energy: 0.6663335745415703
Energy: 0.6793544930433218
Energy: 0.6409626516445155
Energy: 0.6793544930433218
Energy: 0.7130997962089182
Energy: 0.6145704489313406
Energy: 0.632559861051994
Energy: 0.6145704489304309
Energy: 0.6361951531095243
Energy: 0.6652511728048397
Energy: 0.8006310184774282
Energy: 0.6652511728039301
Energy: 0.7705105820930949
Energy: 0.620952313691868
Energy: 0.6382510555503212
Energy: 0.6209523136927777
Energy: 0.6443272826737664
Energy: 0.6556770734557867
Energy: 0.7120670255478287
Energy: 0.6556770734557867

minimum gb energy = 0.6145704489304309 eV
minimum distance =  2.55238642001807 Angstroms
sigma value = 7


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

Energy: 0.6312259942133269
Energy: 0.6309237812524884
Energy: 0.8248410548506044
Energy: 0.6309237812524884
Energy: 0.7486458878217845
Energy: 0.6545099037560835
Energy: 0.6188335902370911
Energy: 0.6545099037567269
Energy: 0.624576826786272
Energy: 0.6313794149559612
Energy: 0.6420434170413291
Energy: 0.6313794149559612
Energy: 0.6565747313430274
Energy: 0.6603052779444988
Energy: 0.6282531731254452
Energy: 0.6603052779464286
Energy: 0.6249029589138235
Energy: 0.6494658616120699
Energy: 0.6292418143068611
Energy: 0.6494658616101401
Energy: 0.6251587563972975
Energy: 0.6321671747412211
Energy: 0.7873465950610674
Energy: 0.632167174743151
Energy: 0.7317490985077011
Energy: 0.6923880760259475
Energy: 0.6459914520363274
Energy: 0.6923880760246611
Energy: 0.625032775248257
Energy: 0.631451510124372
Energy: 0.8275033802688456
Energy: 0.631451510124372
Energy: 0.7056351084889558
Energy: 0.6557964882217282
Energy: 0.6269486176101727
Energy: 0.6557964882243011
Energy: 0.6247871905008868
Energy: 0.6656778053046007
Energy: 0.7027496177095132
Energy: 0.665677805305244
Energy: 0.6561265466623636
Energy: 0.7085268364076766
Energy: 0.650907761581356
Energy: 0.7085268364089632
Energy: 0.6310309779112135
Energy: 0.649456497954645
Energy: 0.655927386766748
Energy: 0.6494564979552883
Energy: 0.6336639195273686
Energy: 0.6323794323623374
Energy: 0.654471452240369
Energy: 0.632379432363624
Energy: 0.6318004756771312
Energy: 0.6283019399095273
Energy: 0.6441167029348018
Energy: 0.6283019399114572
Energy: 0.6161719759552278
Energy: 0.6600997790716713
Energy: 0.7548078706587941
Energy: 0.6600997790723145
Energy: 0.8261148341432756
Energy: 0.6279586648651048
Energy: 0.6317343777507163
Energy: 0.6279586648651048
Energy: 0.6256971054722541
Energy: 0.6482734541452773
Energy: 0.6983160564330316
Energy: 0.6482734541465639
Energy: 0.6254308712904798
Energy: 0.6255557360422631
Energy: 0.6440105430401278
Energy: 0.6255557360441929
Energy: 0.6257712353070214
Energy: 0.7079883296885361
Energy: 0.651121440299288
Energy: 0.7079883296879221
Energy: 0.6174496957212083
Energy: 0.6528298102512421
Energy: 0.6306683059911787
Energy: 0.6528298102505987
Energy: 0.6402584374034875
Energy: 0.7088247773790901
Energy: 0.6269718526583523
Energy: 0.7088247773784468
Energy: 0.6247555340145251
Energy: 0.6319377849302893
Energy: 0.6444392158232515
Energy: 0.6319377849296461
Energy: 0.7954491494346618
Energy: 0.6563326238754845
Energy: 0.6338503874061423
Energy: 0.6563326238748413
Energy: 0.6314573367754129
Energy: 0.6312537086652037
Energy: 0.8159543945487817
Energy: 0.6312537086652037
Energy: 0.6317479037676165
Energy: 0.652429860208624
Energy: 0.6340842138483688
Energy: 0.6524298602079808
Energy: 0.6416320889901185
Energy: 0.6586215568666369
Energy: 0.6492768223925245
Energy: 0.6586215568653503
Energy: 0.6251172970079791
Energy: 0.6626320499642846
Energy: 0.6259178477383845
Energy: 0.6626320499662144
Energy: 0.6722227324194218
Energy: 0.6485710672726643
Energy: 0.6283007475873523
Energy: 0.6485710672720212
Energy: 0.62869081278339
Energy: 0.6310486516831807
Energy: 0.6971119365614039
Energy: 0.6310486516870112
Energy: 0.6825996634446727
Energy: 0.6448184575445023
Energy: 0.6388003076703005
Energy: 0.6448184575419292
Energy: 0.6286948051300119
Energy: 0.6312214955359354
Energy: 0.7576505359051919
Energy: 0.6312214955359354

minimum gb energy = 0.6161719759552278 eV
minimum distance =  2.53745337375114 Angstroms
sigma value = 29


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

Energy: 0.5941092601961772
Energy: 0.5811025825498664
Energy: 0.6666692127455207
Energy: 0.5811025825498664
Energy: 0.6589199967506837
Energy: 0.5720881572240413
Energy: 0.572778870012719
Energy: 0.572088157223842
Energy: 0.6268110434392881
Energy: 0.6092005790939444
Energy: 0.6583802647699569
Energy: 0.6092005790939444
Energy: 0.5937762662343732
Energy: 0.594451099352515
Energy: 0.6694053751313042
Energy: 0.5944510993527143
Energy: 0.5942579063327428
Energy: 0.5923989411077444
Energy: 0.6590821042670367
Energy: 0.5923989411072962
Energy: 0.5811271304446027
Energy: 0.6092380259947187
Energy: 0.5811408416238908
Energy: 0.6092380259944946
Energy: 0.5654138256191134
Energy: 0.5925382205781183
Energy: 0.5942576549742012
Energy: 0.5925382205778942
Energy: 0.6694630942020023
Energy: 0.5946874436839744
Energy: 0.5937444848213959
Energy: 0.5946874436841986
Energy: 0.6585291112026419
Energy: 0.6091893614958004
Energy: 0.604473905694318
Energy: 0.6091893614960244

minimum gb energy = 0.5654138256191134 eV
minimum distance =  2.59974039779614 Angstroms
sigma value = 5


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

Energy: 0.5939982256187074
Energy: 0.5917372592354859
Energy: 0.7122720573564845
Energy: 0.5917372592354859
Energy: 0.6021408785631633
Energy: 0.5866180503569038
Energy: 0.591363009472246
Energy: 0.5866180503569038
Energy: 0.5821365597975237
Energy: 0.5877584485710999
Energy: 0.695793061195492
Energy: 0.5877584485717074
Energy: 0.5963357036761668
Energy: 0.6143861388395438
Energy: 0.5849556504196444
Energy: 0.6143861388395438
Energy: 0.5862962221982209
Energy: 0.617361177574523
Energy: 0.6389773363352618
Energy: 0.6173611775739154
Energy: 0.6176971313990873
Energy: 0.5922861443438273
Energy: 0.58111060351267
Energy: 0.5922861443438273
Energy: 0.5829777061439494
Energy: 0.6157981165527591
Energy: 0.5937024589105085
Energy: 0.6157981165521514
Energy: 0.5805856937887051
Energy: 0.5927880539144296
Energy: 0.5832756876711899
Energy: 0.5927880539150372
Energy: 0.5864264043807738
Energy: 0.6161481465466888
Energy: 0.5889681901156569
Energy: 0.6161481465466888
Energy: 0.5831054105195711
Energy: 0.6161568741387152
Energy: 0.6030445766288142
Energy: 0.6161568741387152
Energy: 0.5814593865073907
Energy: 0.6151311127574979
Energy: 0.5881681967181568
Energy: 0.6151311127581056
Energy: 0.5880130800468464
Energy: 0.6182448704156902
Energy: 0.593204418890991
Energy: 0.6182448704156902
Energy: 0.6187338448155972
Energy: 0.5919152832259351
Energy: 0.5938904441546582
Energy: 0.5919152832253276
Energy: 0.592005652190219
Energy: 0.592942570305581
Energy: 0.6039475402428498
Energy: 0.592942570305581
Energy: 0.7254277711530179
Energy: 0.5813828636041453
Energy: 0.5880130125089005
Energy: 0.5813828636035376
Energy: 0.5833477613790501
Energy: 0.5880991574633104
Energy: 0.7024455701399385
Energy: 0.5880991574627027
Energy: 0.6749393971262398
Energy: 0.5885235418648532
Energy: 0.5913344306215892
Energy: 0.5885235418642732
Energy: 0.5862484588137885
Energy: 0.5919719989565547
Energy: 0.75503491808862
Energy: 0.5919719989577701
Energy: 0.5926743600630652
Energy: 0.6172618270890161
Energy: 0.5835073465286651
Energy: 0.6172618270884085
Energy: 0.5830578506550144
Energy: 0.6451887092207904
Energy: 0.5845350306558208
Energy: 0.6451887092207904
Energy: 0.5930819817580352
Energy: 0.6129559530068324
Energy: 0.5870442511751061
Energy: 0.6129559530074401
Energy: 0.5941277575533505
Energy: 0.6159302300064798
Energy: 0.5813099478578264
Energy: 0.6159302300070876
Energy: 0.5911418715850226
Energy: 0.5926871676418021
Energy: 0.5968431708229389
Energy: 0.5926871676424097
Energy: 0.5917960656928818
Energy: 0.6175551992098673
Energy: 0.5910510631378856
Energy: 0.6175551992098673
Energy: 0.5973870479987415
Energy: 0.5924747550465294
Energy: 0.5892320400952455
Energy: 0.5924747550459217
Energy: 0.5915495100119859
Energy: 0.5929143094010507
Energy: 0.5862854483957234
Energy: 0.5929143094010507
Energy: 0.5832781279529983
Energy: 0.5788426626008465
Energy: 0.6138550450797488
Energy: 0.5788426625996311
Energy: 0.7095292464310524
Energy: 0.6156282301649691
Energy: 0.5833422451492821
Energy: 0.6156282301649691
Energy: 0.5922521478341719
Energy: 0.5861880613035355
Energy: 0.6243965055186443
Energy: 0.5861880613035355
Energy: 0.7620703988703216
Energy: 0.5918714415277251
Energy: 0.5860860692136998
Energy: 0.5918714415283326
Energy: 0.5815736291470045
Energy: 0.584583677555262
Energy: 0.7408424915726923
Energy: 0.584583677555262
Energy: 0.6741045604326761
Energy: 0.6161853531263188
Energy: 0.5820266875041984
Energy: 0.6161853531269265
Energy: 0.5851569263163725
Energy: 0.614423219474866
Energy: 0.5975111783347848
Energy: 0.6144232194754736

minimum gb energy = 0.5788426625996311 eV
minimum distance =  2.52631494179982 Angstroms
sigma value = 1


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

Energy: 0.5658889705053556
Energy: 0.5659589468558709
Energy: 0.7041211587629412
Energy: 0.5659589468558709
Energy: 0.590702066999543
Energy: 0.5536410147716885
Energy: 0.5660241493730862
Energy: 0.5536410147708484
Energy: 0.5537155528669
Energy: 0.56638228146588
Energy: 0.7566814133698334
Energy: 0.5663822814650397
Energy: 0.6760448398845647
Energy: 0.5974820989463596
Energy: 0.5580261701005018
Energy: 0.5974820989471998
Energy: 0.5537349569671203
Energy: 0.5689070884097046
Energy: 0.6269296607498358
Energy: 0.5689070884097046
Energy: 0.5541797919303023
Energy: 0.5965757892068942
Energy: 0.5582019187843366
Energy: 0.5965757892068942
Energy: 0.5538736322015564
Energy: 0.6083325113324017
Energy: 0.5566948509696902
Energy: 0.6083325113315615
Energy: 0.5538456258229263
Energy: 0.5660827737278737
Energy: 0.580355317623309
Energy: 0.5660827737278737
Energy: 0.565967050653888
Energy: 0.569106934325765
Energy: 0.5892361587405315
Energy: 0.569106934325765
Energy: 0.5659055059060246
Energy: 0.5690989589040788
Energy: 0.5804983595456162
Energy: 0.569098958904919
Energy: 0.5538954864345413
Energy: 0.5664746445511869
Energy: 0.5891777126491922
Energy: 0.5664746445511869
Energy: 0.5540028317367046
Energy: 0.6083722415962436
Energy: 0.5567022237160623
Energy: 0.6083722415962436
Energy: 0.5542462780220149
Energy: 0.5974406043064214
Energy: 0.5580265781000314
Energy: 0.5974406043055811
Energy: 0.5537054728907802
Energy: 0.5689063103027904
Energy: 0.6296063447627862
Energy: 0.5689063103019502
Energy: 0.6760438040986514
Energy: 0.5974290902177433
Energy: 0.5580319236138672
Energy: 0.5974290902177433
Energy: 0.5537064536037907
Energy: 0.5663839411297329
Energy: 0.6191099446211902
Energy: 0.5663839411288928
Energy: 0.5907037903266874
Energy: 0.5536480696382885
Energy: 0.5660254030739501
Energy: 0.5536480696374482
Energy: 0.5658889705053556
Energy: 0.5659589468558709
Energy: 0.6965457581156167
Energy: 0.5659589468558709
Energy: 0.5907020670003833
Energy: 0.5536410147708484
Energy: 0.5660241493730862
Energy: 0.5536410147708484
Energy: 0.5537155528669
Energy: 0.56638228146588
Energy: 0.7566814133706734
Energy: 0.5663822814650397
Energy: 0.6760448398845647
Energy: 0.5974820989463596
Energy: 0.5580261701005018
Energy: 0.5974820989463596
Energy: 0.5537349569671203
Energy: 0.5689070884097046
Energy: 0.6269296607506759
Energy: 0.5689070884097046
Energy: 0.5541797919303023
Energy: 0.5965757892068942
Energy: 0.5582019187843366
Energy: 0.5965757892060539
Energy: 0.5538736322023966
Energy: 0.6083325113324017
Energy: 0.5566948509680097
Energy: 0.6083325113324017

minimum gb energy = 0.5536410147708484 eV
minimum distance =  2.54674131028856 Angstroms
sigma value = 17


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

Energy: 0.5628794367277149
Energy: 0.5630362188403547
Energy: 0.698030205618739
Energy: 0.5630362188398355
Energy: 0.5924427353432833
Energy: 0.5608525956233054
Energy: 0.5561517920240814
Energy: 0.5608525956227861
Energy: 0.5543696063772713
Energy: 0.5569726906989936
Energy: 0.5998045171763025
Energy: 0.5569726906989936
Energy: 0.5875434478989292
Energy: 0.5502623228979241
Energy: 0.5532098190913984
Energy: 0.5502623228984433
Energy: 0.5505834166647026
Energy: 0.591409005966979
Energy: 0.6397129955296202
Energy: 0.5914090059664597
Energy: 0.5672076837811055
Energy: 0.6522125625257359
Energy: 0.5597611231309643
Energy: 0.6522125625246974
Energy: 0.5674473827588993
Energy: 0.5825996854915748
Energy: 0.5590672318771875
Energy: 0.5825996854915748
Energy: 0.5495118524515318
Energy: 0.6538075093587987
Energy: 0.5536654973142039
Energy: 0.6538075093577601
Energy: 0.5642920047723717
Energy: 0.6577176307215401
Energy: 0.561794159740312
Energy: 0.6577176307220595
Energy: 0.5568689907961283
Energy: 0.582190732171509
Energy: 0.554725173009135
Energy: 0.5821907321704703
Energy: 0.557368705351036
Energy: 0.6480160268657381
Energy: 0.5564122304377228
Energy: 0.6480160268667767
Energy: 0.5539187666382649
Energy: 0.5814600041460911
Energy: 0.5476402496275333
Energy: 0.5814600041466104
Energy: 0.5507747809309309
Energy: 0.652885788229273
Energy: 0.5558605726381239
Energy: 0.6528857882287539
Energy: 0.5614946296107628
Energy: 0.590699671505779
Energy: 0.5630795498616921
Energy: 0.5906996715052596
Energy: 0.5564925172541638
Energy: 0.6479845168444822
Energy: 0.5684073163426705
Energy: 0.6479845168450015
Energy: 0.5575642246705177
Energy: 0.5572889015128807
Energy: 0.6408963846905903
Energy: 0.5572889015134
Energy: 0.5755909963554541
Energy: 0.6474151454603014
Energy: 0.5560416378880991
Energy: 0.6474151454603014
Energy: 0.5502533095195128
Energy: 0.5631358744820752
Energy: 0.7610961381706509
Energy: 0.5631358744825945
Energy: 0.6046289790799746
Energy: 0.5838599035523137
Energy: 0.556388745022925
Energy: 0.5838599035523137
Energy: 0.5570249178959876
Energy: 0.5566743577520492
Energy: 0.7098201437030234
Energy: 0.5566743577520492
Energy: 0.5692205200675533
Energy: 0.5562349872174405
Energy: 0.5656952967145779
Energy: 0.5562349872179597
Energy: 0.566091359297876
Energy: 0.564453488812696
Energy: 0.5699838041623548
Energy: 0.5644534888121767
Energy: 0.5750606517726914
Energy: 0.5561679834064935
Energy: 0.5579641428821718
Energy: 0.5561679834064935
Energy: 0.5567604505084535
Energy: 0.5833968505851461
Energy: 0.6444528376409636
Energy: 0.5833968505846268
Energy: 0.6841149103001349
Energy: 0.5634038236275142
Energy: 0.5515206404461338
Energy: 0.5634038236269947
Energy: 0.5574647788049207
Energy: 0.5911164683139528
Energy: 0.5550455133809359
Energy: 0.5911164683134335
Energy: 0.6203856601971511
Energy: 0.5793570146328512
Energy: 0.5587576730529984
Energy: 0.5793570146333704
Energy: 0.571347393143863
Energy: 0.648419371640754
Energy: 0.5556407317343782
Energy: 0.6484193716402349
Energy: 0.5630330712842045
Energy: 0.5898298799866667
Energy: 0.5638474543698383
Energy: 0.5898298799871858
Energy: 0.5574482409873077
Energy: 0.653596144371461
Energy: 0.5654001857527197
Energy: 0.653596144371461
Energy: 0.5548742429314114
Energy: 0.5892093071883245
Energy: 0.5578705910832951
Energy: 0.5892093071883245
Energy: 0.5544359017532117
Energy: 0.6468360152152837
Energy: 0.5552968665130508
Energy: 0.6468360152152837
Energy: 0.5531681036608512
Energy: 0.5826286415863451
Energy: 0.6275438114280629
Energy: 0.5826286415868643
Energy: 0.5769251807855043
Energy: 0.6568532081286829
Energy: 0.5623818004592619
Energy: 0.6568532081286829
Energy: 0.5531369742278812
Energy: 0.5638054055977779
Energy: 0.5784859158002813
Energy: 0.5638054055988166
Energy: 0.5606253561730072
Energy: 0.5832490947554865
Energy: 0.5681945149865089
Energy: 0.5832490947570443
Energy: 0.5579481841124143
Energy: 0.6517780114864444
Energy: 0.5674072191025911
Energy: 0.6517780114869637
Energy: 0.5770469136654447
Energy: 0.5924044673755984
Energy: 0.557750293261469
Energy: 0.5924044673761176

minimum gb energy = 0.5476402496275333 eV
minimum distance =  2.53467652693543 Angstroms
sigma value = 89


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

Energy: 0.4926227990253197
Energy: 0.4926716132186629
Energy: 0.7148032492811364
Energy: 0.49267161322002156
Energy: 0.4928925791425643
Energy: 0.5088647538631396
Energy: 0.5033428137447971
Energy: 0.5088647538631396
Energy: 0.501415892018477
Energy: 0.5728490813896023
Energy: 0.4936704073537822
Energy: 0.5728490813896023
Energy: 0.6318215798239737
Energy: 0.5088632715339676
Energy: 0.503380133804917
Energy: 0.5088632715339676
Energy: 0.5013941422879802
Energy: 0.4942488495245382
Energy: 0.7404196612113119
Energy: 0.4942488495245382
Energy: 0.5015212021774607
Energy: 0.492858581977153
Energy: 0.49497852285491545
Energy: 0.492858581977153
Energy: 0.5015803527005949
Energy: 0.5730681026376456
Energy: 0.49283619318432503
Energy: 0.5730681026376456
Energy: 0.5058151165043333
Energy: 0.666647424845712
Energy: 0.503210460566803
Energy: 0.666647424845712
Energy: 0.5014097378275619
Energy: 0.5322749779362874
Energy: 0.6300434493310507
Energy: 0.5322749779362874
Energy: 0.5092437821644176
Energy: 0.62062193622341
Energy: 0.5013196213684009
Energy: 0.62062193622341
Energy: 0.49259104548076266
Energy: 0.5089663479390505
Energy: 0.5013547265787309
Energy: 0.5089663479390505
Energy: 0.49263944209338156
Energy: 0.5712864628887996
Energy: 0.5032720586681628
Energy: 0.5712864628887996
Energy: 0.5014018925476537
Energy: 0.5304253245790364
Energy: 0.5043974524007576
Energy: 0.5304253245790364
Energy: 0.5014753677002521
Energy: 0.5300900795255028
Energy: 0.5013632708791464
Energy: 0.5300900795255028
Energy: 0.49550133187166545
Energy: 0.5304548065873492
Energy: 0.501396431875378
Energy: 0.5304548065887081

minimum gb energy = 0.49259104548076266 eV
minimum distance =  2.55613059219688 Angstroms
sigma value = 13


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

Energy: 0.5016749838487751
Energy: 0.4924285601799537
Energy: 0.6491403973769149
Energy: 0.49242856017938424
Energy: 0.5265791266431276
Energy: 0.5033077248407976
Energy: 0.49133567595250627
Energy: 0.5033077248419364
Energy: 0.4927559019513006
Energy: 0.4924567004679617
Energy: 0.5689751670077733
Energy: 0.49245670046910067
Energy: 0.49089002189352066
Energy: 0.5032351196569944
Energy: 0.4883614893735143
Energy: 0.5032351196569944
Energy: 0.4964772121299132
Energy: 0.5185162318232989
Energy: 0.5196379361174965
Energy: 0.5185162318250075
Energy: 0.48586004377823505
Energy: 0.5057677227031224
Energy: 0.4918760589638411
Energy: 0.5057677227042614
Energy: 0.4962160714519112
Energy: 0.6213683847586086
Energy: 0.6356477522375235
Energy: 0.6213683847568999
Energy: 0.4854355407943475
Energy: 0.5036205997184978
Energy: 0.4917326843350291
Energy: 0.5036205997179284
Energy: 0.4962617552490052
Energy: 0.5210778688482716
Energy: 0.5773920323057424
Energy: 0.5210778688482716
Energy: 0.5758242859158644
Energy: 0.5276689021908828
Energy: 0.4883165053981324
Energy: 0.5276689021920218
Energy: 0.49689011922965315
Energy: 0.5283006480378688
Energy: 0.49176056466318324
Energy: 0.5283006480372993
Energy: 0.5958856008328351
Energy: 0.5277194412697473
Energy: 0.49272166742198026
Energy: 0.5277194412697473
Energy: 0.5084694579851284
Energy: 0.4965728799742142
Energy: 0.5014604863440241
Energy: 0.49657287997592275
Energy: 0.6082991213919955
Energy: 0.5276629931286183
Energy: 0.4928821110076322
Energy: 0.5276629931303268
Energy: 0.49636289976311077
Energy: 0.4919568552223142
Energy: 0.4937558107112092
Energy: 0.4919568552211752
Energy: 0.4843087872327136
Energy: 0.5276239106165924
Energy: 0.4867836684283994
Energy: 0.5276239106177314
Energy: 0.4926299610361002
Energy: 0.5144004966267772
Energy: 0.487099654182444
Energy: 0.5144004966279162
Energy: 0.49113022622487634
Energy: 0.5199218911444523
Energy: 0.49004257560907294
Energy: 0.5199218911438829
Energy: 0.4922849712959473
Energy: 0.5223544679445202
Energy: 0.49013396857758407
Energy: 0.5223544679456593
Energy: 0.49228910935058706
Energy: 0.5224606816487893
Energy: 0.49007062855127165
Energy: 0.5224606816436637
Energy: 0.49099599143251466
Energy: 0.519815552242104
Energy: 0.4900594533063041
Energy: 0.5198155522443819
Energy: 0.4926412684428265
Energy: 0.5142442053469639
Energy: 0.48712023249553804
Energy: 0.5142442053469639
Energy: 0.4844120894696323
Energy: 0.5279535996717138
Energy: 0.486871207499
Energy: 0.527953599669436
Energy: 0.496366570371482
Energy: 0.49175894091749034
Energy: 0.48787742920282196
Energy: 0.49175894091805983
Energy: 0.6089009962138336
Energy: 0.5277704683106674
Energy: 0.4928973396785046
Energy: 0.5277704683106674
Energy: 0.5085646050084309
Energy: 0.49645254588476073
Energy: 0.48619601558686426
Energy: 0.4964525458836218
Energy: 0.5958575661225859
Energy: 0.5277702716807461
Energy: 0.492678015884335
Energy: 0.5277702716778986
Energy: 0.4962800226118589
Energy: 0.5281006407288982
Energy: 0.4927877695242088
Energy: 0.5281006407277591
Energy: 0.5756340153644807
Energy: 0.5276746832685917
Energy: 0.4883097961359365
Energy: 0.5276746832703003
Energy: 0.49637244285542936
Energy: 0.5211873296516422
Energy: 0.5851260418986606
Energy: 0.5211873296516422
Energy: 0.4854463778396473
Energy: 0.5035445517432037
Energy: 0.4917221546041454
Energy: 0.5035445517443426
Energy: 0.4963365670695874
Energy: 0.6212289999163473
Energy: 0.6358825558450584
Energy: 0.6212289999163473
Energy: 0.48607126708484616
Energy: 0.5057421536209621
Energy: 0.49176377676446875
Energy: 0.5057421536209621
Energy: 0.4963699734657193
Energy: 0.5188664515589051
Energy: 0.52366335987404
Energy: 0.5188664515600442
Energy: 0.4908569548492392
Energy: 0.5033699972589204
Energy: 0.4883707210921007
Energy: 0.5033699972606288

minimum gb energy = 0.4843087872327136 eV
minimum distance =  2.5660360828875 Angstroms
sigma value = 37


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

Energy: 0.46171813754814484
Energy: 0.46173063410854576
Energy: 0.4555136336529719
Energy: 0.46173063410854576
Energy: 0.5078379006543865
Energy: 0.5862655997870182
Energy: 0.4467991236048008
Energy: 0.5862655997870182
Energy: 0.4504551602825652
Energy: 0.6005084993540155
Energy: 0.6164589240966408
Energy: 0.6005084993530357
Energy: 0.441487594598612
Energy: 0.5867391082284105
Energy: 0.4467937523695786
Energy: 0.5867391082284105
Energy: 0.445750985430307
Energy: 0.5866149011879059
Energy: 0.4530003251703715
Energy: 0.5866149011879059
Energy: 0.44295274525165246
Energy: 0.5863846345201159
Energy: 0.4427405340681394
Energy: 0.5863846345210957
Energy: 0.4594298543051712
Energy: 0.7149107225377331
Energy: 0.5424547804062485
Energy: 0.7149107225377331
Energy: 0.4459778231496503
Energy: 0.4619669010781584
Energy: 0.46364910032590617
Energy: 0.4619669010781584
Energy: 0.44578247583118424
Energy: 0.5867406680788112
Energy: 0.5424089683835737
Energy: 0.5867406680788112
Energy: 0.6011123372341081
Energy: 0.5870441498482608
Energy: 0.4427834286839008
Energy: 0.5870441498482608
Energy: 0.45946647916644723
Energy: 0.7148448839319196
Energy: 0.44144308723929326
Energy: 0.7148448839319196
Energy: 0.6029684730385948
Energy: 0.4618238955375503
Energy: 0.44683983860073845
Energy: 0.4618238955375503
Energy: 0.4407970077592813
Energy: 0.5866898529730763
Energy: 0.4432540206173111
Energy: 0.5866898529730763
Energy: 0.542217956693971
Energy: 0.7139905764492317
Energy: 0.4456865269947442
Energy: 0.7139905764492317
Energy: 0.4617657061983519
Energy: 0.48358276516469595
Energy: 0.445885331560723
Energy: 0.48358276516469595
Energy: 0.4619114901479913
Energy: 0.5873270168167183
Energy: 0.4468455127391993
Energy: 0.5873270168167183
Energy: 0.44083318952758616
Energy: 0.5878677538759259
Energy: 0.4499111248958359
Energy: 0.5878677538759259
Energy: 0.44102431365928824
Energy: 0.712924482779948
Energy: 0.4456901910168406
Energy: 0.712924482779948
Energy: 0.4467199625605615
Energy: 0.4616434351491842
Energy: 0.44583503176222267
Energy: 0.46164343515016415
Energy: 0.44164990577758817
Energy: 0.5873445469912312
Energy: 0.44078489604937476
Energy: 0.5873445469922111

minimum gb energy = 0.44078489604937476 eV
minimum distance =  2.54968378111979 Angstroms
sigma value = 25


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

Energy: 0.4311719161989523
Energy: 0.41399180768778865
Energy: 0.41590394083451315
Energy: 0.41399180768702354
Energy: 0.4913600963822391
Energy: 0.6167774939210429
Energy: 0.4125208421514212
Energy: 0.6167774939202778
Energy: 0.40776000289030667
Energy: 0.4079147071521244
Energy: 0.7367946274219427
Energy: 0.4079147071521244
Energy: 0.4178298433216565
Energy: 0.6183736547038632
Energy: 0.41279924906704946
Energy: 0.6183736547038632
Energy: 0.4116942747550856
Energy: 0.6166314313900086
Energy: 0.5635550265556014
Energy: 0.6166314313907737
Energy: 0.398529943713887
Energy: 0.6185736179098741
Energy: 0.4125863362096841
Energy: 0.6185736179098741
Energy: 0.4121311542992722
Energy: 0.40947313318891654
Energy: 0.41779822154688095
Energy: 0.40947313318891654
Energy: 0.3999767134312957
Energy: 0.5328844388876423
Energy: 0.40880050831448095
Energy: 0.5328844388876423
Energy: 0.4115695071431947
Energy: 0.6168796713815746
Energy: 0.4918940212971892
Energy: 0.6168796713823398
Energy: 0.3993147419636683
Energy: 0.41062541191446716
Energy: 0.43209502513507647
Energy: 0.4106254119106416
Energy: 0.4122284298173028
Energy: 0.40935918471881205
Energy: 0.550509144880697
Energy: 0.4093591847195424
Energy: 0.5136845654226646
Energy: 0.6516703714892662
Energy: 0.40882064545155455
Energy: 0.6516703714885012
Energy: 0.411381038237656
Energy: 0.6177107683247562
Energy: 0.47553193304918145
Energy: 0.6177107683247562
Energy: 0.5209896818671443
Energy: 0.6294612830533534
Energy: 0.41266776006387573
Energy: 0.6294612830533534
Energy: 0.41212997118747763
Energy: 0.40919608271343505
Energy: 0.4025726995483504
Energy: 0.40919608271343505
Energy: 0.5053592312085716
Energy: 0.637596030102029
Energy: 0.4112451727795925
Energy: 0.6375960301027942
Energy: 0.4118006272332613
Energy: 0.5332510321066325
Energy: 0.39993176903745653
Energy: 0.5332510321058673
Energy: 0.4896423059167511
Energy: 0.6163872483205548
Energy: 0.41257088913952433
Energy: 0.6163872483205548
Energy: 0.4350765164105963
Energy: 0.4081255048143027
Energy: 0.3989810174133352
Energy: 0.4081255048143027
Energy: 0.5513248619435769
Energy: 0.6353736681816099
Energy: 0.41118029825876545
Energy: 0.6353736681816099
Energy: 0.41174152260523234
Energy: 0.6502234437792047
Energy: 0.40384799940826843
Energy: 0.6502234437792047
Energy: 0.4081178138723009
Energy: 0.6169812631599434
Energy: 0.41229882575609356
Energy: 0.6169812631599434
Energy: 0.41235991793716453
Energy: 0.628305802619692
Energy: 0.522934453967716
Energy: 0.628305802619692
Energy: 0.39951613188552015
Energy: 0.6344747319279583
Energy: 0.41143896393410273
Energy: 0.6344747319279583
Energy: 0.4114494114022134
Energy: 0.6502907225277718
Energy: 0.4962804867210275
Energy: 0.6502907225277718
Energy: 0.39899524465768793
Energy: 0.5328864842438353
Energy: 0.4079446911798675
Energy: 0.5328864842446005

minimum gb energy = 0.398529943713887 eV
minimum distance =  2.48348034566876 Angstroms
sigma value = 41


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

Energy: 0.5322849157785354
Energy: 0.5506955037979223
Energy: 0.5393618469673123
Energy: 0.5506955037985495
Energy: 0.5048281002244094
Energy: 0.37969125049999086
Energy: 0.3722584091572203
Energy: 0.3796912504993636
Energy: 0.38220304274329975
Energy: 0.37406493810623026
Energy: 0.47067775020966923
Energy: 0.3740649381049757
Energy: 0.4441460594676515
Energy: 0.3773079100435528
Energy: 0.3723471104080737
Energy: 0.3773079100429255
Energy: 0.36933714265674594
Energy: 0.5583407451349915
Energy: 0.38629869591492466
Energy: 0.5583407451349915
Energy: 0.3832875397364026
Energy: 0.37660514940265727
Energy: 0.372157601503959
Energy: 0.37660514940328454
Energy: 0.37158044834959486
Energy: 0.380929987206515
Energy: 0.3836362144701559
Energy: 0.38092998721216037
Energy: 0.36552750887268476
Energy: 0.46809947803812646
Energy: 0.36993494138530547
Energy: 0.46809947803812646
Energy: 0.37386116774584677
Energy: 0.5765333016254385
Energy: 0.4435460229789381
Energy: 0.5765333016254385
Energy: 0.36945030245232663
Energy: 0.37196138224107167
Energy: 0.3827041173441655
Energy: 0.371961382241699
Energy: 0.3716215302413067
Energy: 0.3787288212099606
Energy: 0.5052507982305671
Energy: 0.3787288212099606
Energy: 0.364975935946618
Energy: 0.5494357676961593
Energy: 0.5327645591309637
Energy: 0.5494357676961593
Energy: 0.3739149630791368
Energy: 0.577715242836599
Energy: 0.5047720855598472
Energy: 0.5777152428372263
Energy: 0.46332361096761815
Energy: 0.5078602481479718
Energy: 0.38269378606458826
Energy: 0.5078602481479718
Energy: 0.37159658440673493
Energy: 0.3791236522221982
Energy: 0.48951361431396784
Energy: 0.3791236522221982
Energy: 0.467014565206328
Energy: 0.5782542398556131
Energy: 0.3698526871041432
Energy: 0.5782542398556131
Energy: 0.37395592236093456
Energy: 0.5766662887596795
Energy: 0.4601269955761188
Energy: 0.5766662887596795
Energy: 0.46337838921844304
Energy: 0.496256389408579
Energy: 0.3722221373020956
Energy: 0.4962563894079518
Energy: 0.3716676939977782
Energy: 0.46799582431967446
Energy: 0.3651775644379339
Energy: 0.4679958243202731
Energy: 0.44969785015361863
Energy: 0.578233039743718
Energy: 0.37629401114824523
Energy: 0.578233039743718
Energy: 0.3843954096041921
Energy: 0.577497051463341
Energy: 0.36667408894604453
Energy: 0.577497051463341
Energy: 0.5881158751828163
Energy: 0.6070097883078812
Energy: 0.37207787122480335
Energy: 0.6070097883078812
Energy: 0.5338653322163874
Energy: 0.5497932023542197
Energy: 0.3652521410040685
Energy: 0.5497932023542197
Energy: 0.5021051604553866
Energy: 0.5780093587429698
Energy: 0.37402008016042737
Energy: 0.5780093587429698
Energy: 0.3845173308623196
Energy: 0.5988685748605354
Energy: 0.3682430509399892
Energy: 0.5988685748605354
Energy: 0.48822142850307726
Energy: 0.6054918316941831
Energy: 0.3722113697096477
Energy: 0.6054918316948104
Energy: 0.37169988702719065
Energy: 0.5757086005025965
Energy: 0.46777979707426914
Energy: 0.5757086005019693
Energy: 0.3733537297612855
Energy: 0.576671695233812
Energy: 0.3764688107862682
Energy: 0.5766716952344393
Energy: 0.37393259098159704
Energy: 0.5996750277102602
Energy: 0.46430535790400806
Energy: 0.5996750277102602
Energy: 0.3696096332739449
Energy: 0.5947997557202298
Energy: 0.37426324972172775
Energy: 0.5947997557202298
Energy: 0.37186573092539893
Energy: 0.5758167370933499
Energy: 0.45337478648350005
Energy: 0.5758167370933499
Energy: 0.3696527425855978
Energy: 0.5765508906870547
Energy: 0.38719033375196293
Energy: 0.5765508906870547

minimum gb energy = 0.364975935946618 eV
minimum distance =  2.47870878999792 Angstroms
sigma value = 15


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

Energy: 0.4852720053701236
Energy: 0.5429205174295009
Energy: 0.5142655695911725
Energy: 0.5429205174295009
Energy: 0.5412508665404399
Energy: 0.5208707615289727
Energy: 0.3499546422280104
Energy: 0.5208707615289727
Energy: 0.3604729602974545
Energy: 0.3502050087476588
Energy: 0.6033386021016415
Energy: 0.35020500874553334
Energy: 0.4576574917003344
Energy: 0.5333709438954959
Energy: 0.349942280794498
Energy: 0.5333709438954959
Energy: 0.34804331189300675
Energy: 0.5493168523108581
Energy: 0.5149193286444904
Energy: 0.5493168523108581
Energy: 0.4073761047860019
Energy: 0.5192823958706885
Energy: 0.35001296049010977
Energy: 0.5192823958696257
Energy: 0.3494824217518121
Energy: 0.5007661156086702
Energy: 0.35626725206908244
Energy: 0.5007661156086702
Energy: 0.35618392857054043
Energy: 0.49997772843478405
Energy: 0.35000041892119105
Energy: 0.49997772843425264
Energy: 0.3508825125632245
Energy: 0.5472648293588397
Energy: 0.40797046018779143
Energy: 0.5472648293588397
Energy: 0.3401227021612854
Energy: 0.5230622326619248
Energy: 0.3484416533307007
Energy: 0.5230622326629875
Energy: 0.3495854174274719
Energy: 0.5196382372041084
Energy: 0.45983695895645876
Energy: 0.5196382372035769
Energy: 0.34071050753434584
Energy: 0.35088136980973017
Energy: 0.3608503205239605
Energy: 0.35088136980973017
Energy: 0.3509474988277855
Energy: 0.546876228194291
Energy: 0.5392248635653708
Energy: 0.5468762281948224
Energy: 0.34139319714576916
Energy: 0.5539742891296844
Energy: 0.48547708566807013
Energy: 0.5539742891302157
Energy: 0.34950880325309247
Energy: 0.522095598677978
Energy: 0.5412800124981013
Energy: 0.5220955986774467
Energy: 0.4236806276458936
Energy: 0.3505460265962162
Energy: 0.36078958184297083
Energy: 0.3505460265962162
Energy: 0.35109515350711584
Energy: 0.5469673411627494
Energy: 0.4602508802008057
Energy: 0.5469673411627494
Energy: 0.42632263372192974
Energy: 0.5598535642942735
Energy: 0.3484673896061672
Energy: 0.5598535642942735
Energy: 0.3494570205986369
Energy: 0.5223009039364481
Energy: 0.4083276372578386
Energy: 0.5223009039359167
Energy: 0.4210984946257039
Energy: 0.5219989559856346
Energy: 0.34987643248656375
Energy: 0.5219989559851033
Energy: 0.3509041225884584
Energy: 0.5338815080851699
Energy: 0.3586169976123594
Energy: 0.5338815080857012
Energy: 0.42337525867861653
Energy: 0.5588523752312822
Energy: 0.3527422321034673
Energy: 0.5588523752307508
Energy: 0.34953189362868575
Energy: 0.5218717251009333
Energy: 0.33839773098369463
Energy: 0.5218717251009333
Energy: 0.5165432915534012
Energy: 0.5221389494634352
Energy: 0.3499305164228966
Energy: 0.5221389494634352
Energy: 0.3618672812529725
Energy: 0.5335693603791968
Energy: 0.34357231056412235
Energy: 0.5335693603797281
Energy: 0.5384956285045158
Energy: 0.5586236800145719
Energy: 0.35268490836723587
Energy: 0.5586236800145719
Energy: 0.4860098289100732
Energy: 0.5403131999079057
Energy: 0.3387762509808944
Energy: 0.5403131999084372
Energy: 0.6154203650615608
Energy: 0.5228247380161204
Energy: 0.3499494399291812
Energy: 0.5228247380166517
Energy: 0.3619615963178216
Energy: 0.5589919129429867
Energy: 0.34446151067346886
Energy: 0.5589919129429867
Energy: 0.44629105617874104
Energy: 0.5481160948082869
Energy: 0.3528856911575466
Energy: 0.5481160948093498
Energy: 0.34953193274348215
Energy: 0.5469291321254853
Energy: 0.42848323263970256
Energy: 0.5469291321254853
Energy: 0.45019177667766924
Energy: 0.5219271595002787
Energy: 0.3498701535310498
Energy: 0.5219271595002787
Energy: 0.3509817026840609
Energy: 0.5591942600692686
Energy: 0.4285303686851063
Energy: 0.5591942600698
Energy: 0.35148772053955635
Energy: 0.5330734022104784
Energy: 0.352896746279136
Energy: 0.5330734022110099
Energy: 0.34328957682288475
Energy: 0.5470402833711269
Energy: 0.4287636709718401
Energy: 0.5470402833711269
Energy: 0.34994326570746864
Energy: 0.5218097986592147
Energy: 0.3514557565292483
Energy: 0.5218097986597461
Energy: 0.35102097539743893
Energy: 0.55944051560577
Energy: 0.5168111489323189
Energy: 0.5594405156052384

minimum gb energy = 0.33839773098369463 eV
minimum distance =  2.56740633739753 Angstroms
sigma value = 85


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

Energy: 0.45632312963945715
Energy: 0.504315112151365
Energy: 0.36708439484598043
Energy: 0.504315112151826
Energy: 0.5645665768089292
Energy: 0.47927169805477615
Energy: 0.31941714054487713
Energy: 0.47927169805477615
Energy: 0.43773196957972854
Energy: 0.4555952991022788
Energy: 0.39765727789222066
Energy: 0.45559529910273966
Energy: 0.4951217449932979
Energy: 0.47920904798083125
Energy: 0.319358620706231
Energy: 0.47920904798083125
Energy: 0.33305385976021545
Energy: 0.4423327103634184
Energy: 0.47416092447300273
Energy: 0.4423327103634184
Energy: 0.42470194031531094
Energy: 0.48060373565125114
Energy: 0.3194487926652986
Energy: 0.48060373565125114
Energy: 0.31746164393635107
Energy: 0.46476925787965023
Energy: 0.33733766884319005
Energy: 0.46476925787965023
Energy: 0.38091313476274924
Energy: 0.47883573508972593
Energy: 0.3193645866129445
Energy: 0.47883573508972593
Energy: 0.3189556087486264
Energy: 0.4487914833975508
Energy: 0.38104685511298714
Energy: 0.4487914833975508
Energy: 0.33715936235198807
Energy: 0.4646405933590552
Energy: 0.3179054934053469
Energy: 0.4646405933590552
Energy: 0.320488774607986
Energy: 0.4799320246197258
Energy: 0.42486091752941274
Energy: 0.4799320246201867
Energy: 0.3059516346432868
Energy: 0.479160508285958
Energy: 0.33339800792405544
Energy: 0.47916050828641893
Energy: 0.3189762008615513
Energy: 0.4484139983963006
Energy: 0.5266196773268088
Energy: 0.4484139983967614
Energy: 0.3061801241836923
Energy: 0.4555446961830592
Energy: 0.4380943445791078
Energy: 0.4555446961830592
Energy: 0.3203986390921668
Energy: 0.4791948448162189
Energy: 0.5651752407908818
Energy: 0.4791948448162189
Energy: 0.3045536399269226
Energy: 0.5043918299717075
Energy: 0.4567387898903199
Energy: 0.5043918299717075
Energy: 0.3190762140732516
Energy: 0.4483146268837205
Energy: 0.5650302499384722
Energy: 0.44831462688418133
Energy: 0.37103181400758356
Energy: 0.45554263277539375
Energy: 0.4380215862985242
Energy: 0.45554263277539375
Energy: 0.3204162851153124
Energy: 0.47916488152834463
Energy: 0.4958492493461312
Energy: 0.47916488152834463
Energy: 0.37856445956317514
Energy: 0.5137737864602963
Energy: 0.33343749134850764
Energy: 0.5137737864598354
Energy: 0.3189832177882425
Energy: 0.44862433107125266
Energy: 0.42524856418949397
Energy: 0.44862433107125266
Energy: 0.37732270604520707
Energy: 0.47965989855838426
Energy: 0.3178478507770798
Energy: 0.4796598985579234
Energy: 0.32032734916418504
Energy: 0.47861996079017105
Energy: 0.3813710125415189
Energy: 0.4786199607897102
Energy: 0.37962624904133146
Energy: 0.5117375428607792
Energy: 0.31941644321788787
Energy: 0.5117375428607792
Energy: 0.3190608242470112
Energy: 0.3958402831297944
Energy: 0.33769147661057697
Energy: 0.3958402831302554
Energy: 0.4510802391319021
Energy: 0.47906990819226114
Energy: 0.32008879765942866
Energy: 0.47906990819226114
Energy: 0.3344588654907195
Energy: 0.4789347059022468
Energy: 0.30639436444205
Energy: 0.4789347059022468
Energy: 0.4572300200471308
Energy: 0.5120023554302343
Energy: 0.31941295807773307
Energy: 0.5120023554297735
Energy: 0.43893107129636677
Energy: 0.45558711732617596
Energy: 0.3063344949764981
Energy: 0.45558711732571516
Energy: 0.6104083967021346
Energy: 0.47912114955604146
Energy: 0.31959763451548523
Energy: 0.47912114955604146
Energy: 0.45774714740699957
Energy: 0.5012468075869565
Energy: 0.3050825702028743
Energy: 0.5012468075869565
Energy: 0.5510500768885088
Energy: 0.5126761175651915
Energy: 0.31936648697432485
Energy: 0.5126761175651915
Energy: 0.43908573596644074
Energy: 0.4555752015294318
Energy: 0.30643844650721785
Energy: 0.45557520152989267
Energy: 0.5436064971011476
Energy: 0.47902895551692026
Energy: 0.3199362193148496
Energy: 0.4790289555164594
Energy: 0.3345090780198918
Energy: 0.5099385626651836
Energy: 0.3786963328093424
Energy: 0.5099385626651836
Energy: 0.3990024344740109
Energy: 0.5103587607387461
Energy: 0.31931292394240424
Energy: 0.5103587607387461
Energy: 0.3189657852978093
Energy: 0.4793462269418748
Energy: 0.3772311116879949
Energy: 0.4793462269418748
Energy: 0.3934627197624792
Energy: 0.47854331202499456
Energy: 0.31989479609379695
Energy: 0.47854331202545547
Energy: 0.3205672487520781
Energy: 0.5099909732458797
Energy: 0.3794336368371778
Energy: 0.5099909732458797
Energy: 0.3079798697499721
Energy: 0.49803693667100857
Energy: 0.3206665808437039
Energy: 0.49803693667100857
Energy: 0.31901210247185097
Energy: 0.47915904690497335
Energy: 0.46458628792204226
Energy: 0.47915904690497335
Energy: 0.3047436506542359
Energy: 0.4787228220425811
Energy: 0.33592592571264585
Energy: 0.4787228220430419
Energy: 0.3203891052196388
Energy: 0.509988640796494
Energy: 0.45709966827037435
Energy: 0.509988640796494

minimum gb energy = 0.3045536399269226 eV
minimum distance =  2.56123636754038 Angstroms
sigma value = 113


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

Energy: 0.011733831034514267
Energy: 0.013135604269628407
Energy: 0.3929436700038477
Energy: 0.013135604269963014
Energy: 0.3926116857981737
Energy: 0.17518772223989293
Energy: 0.17554399422079825
Energy: 0.17518772223953866
Energy: 0.011733831034868554
Energy: 0.013135604269628407
Energy: 0.39294364564468887
Energy: 0.013135604269963014
Energy: 0.3926116857981737
Energy: 0.17518772223989293
Energy: 0.17554305989360028
Energy: 0.17518772223918436
Energy: 0.011733831034514267
Energy: 0.013135604269628407
Energy: 1.153063875097747
Energy: 0.013135604269963014
Energy: 0.3926116857985083
Energy: 0.17518772223989293
Energy: 0.1755461834791047
Energy: 0.17518772223918436

minimum gb energy = 0.011733831034514267 eV
minimum distance =  2.83530858827364 Angstroms
sigma value = 1