Model name: model_name=EAM_Dynamo_Pun_2017_Au__MO_188701096956_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.077997982501984
cohesive_energy=3.9303090816171165
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[8.55358846123482e-20, 1.5483467034508679e-19, 2.13616608434586e-19, 2.64661955993826e-19, 3.09715162941906e-19, 3.49894548569358e-19, 3.8595313589416195e-19, 4.1843085844197597e-19, 4.47726658194666e-19, 4.7414815306596e-19, 4.97943680434128e-19, 5.19310308025152e-19, 5.384162643856019e-19, 5.5540254105927e-19, 5.703925056469739e-19, 5.83490299629924e-19, 5.947904514295259e-19, 6.043762742307479e-19, 6.12323070335388e-19, 6.18699733338708e-19, 6.235671459527999e-19, 6.26981384359854e-19, 6.28993718212158e-19, 6.29655417162e-19, 6.289344376767e-19, 6.265744314948179e-19, 6.2223413499331195e-19, 6.154969822473419e-19, 6.05858287617198e-19, 5.92691600038986e-19, 5.75227874728386e-19, 5.52509010058266e-19, 5.2333497572976e-19, 4.86193317000372e-19, 4.391614219093019e-19, 3.7977193844019e-19, 3.04833330738108e-19, 2.1016391778831596e-19, 9.022321257277859e-20, -6.242608884353219e-20, -2.57915190188052e-19, -5.102788383392939e-19, -8.393290689003118e-19, -1.273591034662842e-18, -1.85703487117038e-18, -2.6714853412979397e-18, -3.878997805044719e-18, -5.792172945470459e-18, -8.98824296027268e-18, -1.4575753862515978e-17, -2.5221464572427995e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011911058496030904
Energy: 0.012330145470916857
Energy: 0.37206221693310104
Energy: 0.012330145470916857
Energy: 0.012330145471409737
Energy: 0.47131503638234473
Energy: 0.012330145471409737
Energy: 0.4713150363818519
Energy: 0.3720622169393716
Energy: 0.012330145471409737
Energy: 0.011911058496030904
Energy: 0.012330145470916857
Energy: 0.012330145470916857
Energy: 0.4713150363910249
Energy: 0.012330145471409737
Energy: 0.47131503638089345

minimum gb energy = 0.011911058496030904 eV
minimum distance =  2.80547137502786 Angstroms
sigma value = 1


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

Energy: 0.8037501511984351
Energy: 0.570516255459137
Energy: 0.6109854104476491
Energy: 0.5705162554597347
Energy: 0.5711910153913358
Energy: 0.6249763811617901
Energy: 0.5726131838462948
Energy: 0.6249763811611924
Energy: 0.610299167070118
Energy: 0.6105928390681509
Energy: 0.879576979534227
Energy: 0.6105928390687486
Energy: 0.573367476899176
Energy: 0.5716522836696832
Energy: 0.5711387092094787
Energy: 0.5716522836684877
Energy: 0.7486500678886105
Energy: 0.5714590379237539
Energy: 0.5711067788770704
Energy: 0.5714590379231561
Energy: 0.6033252260123652
Energy: 0.6426167282709863
Energy: 0.5714955242480556
Energy: 0.6426167282703885
Energy: 0.5951054979671241
Energy: 0.6081066991522037
Energy: 0.7499745174896204
Energy: 0.6081066991516059
Energy: 0.6006581443126469
Energy: 0.5938838226294398
Energy: 0.6313459498274538
Energy: 0.5938838226288421
Energy: 0.652772289709707
Energy: 0.6276957254800146
Energy: 0.6227139470351893
Energy: 0.6276957254806123
Energy: 0.6256573535969148
Energy: 0.6282475481477049
Energy: 0.6143569686351408
Energy: 0.6282475481483026
Energy: 0.6871189062242313
Energy: 0.6277088184808756
Energy: 0.653969479396895
Energy: 0.6277088184814733
Energy: 0.5968069568619946
Energy: 0.6263576142582241
Energy: 0.6288192169723292
Energy: 0.6263576142582241
Energy: 0.5939611872696411
Energy: 0.6062022223156
Energy: 0.625071800128035
Energy: 0.6062022223161977
Energy: 0.6038634732012562
Energy: 0.6066807247521185
Energy: 0.6004559151081846
Energy: 0.6066807247521185
Energy: 0.6002193970051184
Energy: 0.5703870616163198
Energy: 0.5710021157769685
Energy: 0.5703870616187109
Energy: 0.5975546036399332
Energy: 0.5709620725722008
Energy: 0.5700357251413433
Energy: 0.5709620725727984
Energy: 0.6111329551931568
Energy: 0.6119488754568926
Energy: 0.5676411577956763
Energy: 0.6119488754562948
Energy: 0.5727750332921433
Energy: 0.5709927387150084
Energy: 0.5758385662199966
Energy: 0.5709927387179973
Energy: 0.5999774727479543
Energy: 0.6107048170945669
Energy: 0.6114031273675514
Energy: 0.6107048170921759
Energy: 0.5940841541619482
Energy: 0.5720348088109936
Energy: 0.5731390428168016
Energy: 0.5720348088109936
Energy: 0.5726623263154309
Energy: 0.5738349371450806
Energy: 0.7488127189873757
Energy: 0.5738349372454491
Energy: 0.5706217840458254
Energy: 0.5731003654017863
Energy: 0.6024482948821015
Energy: 0.5731003653999931
Energy: 0.747182581937716
Energy: 0.6087283311050014
Energy: 0.5964411412183811
Energy: 0.6087283311055992
Energy: 0.6286764562519506
Energy: 0.607794715738058
Energy: 0.597765122331781
Energy: 0.607794715738058
Energy: 0.6241803271927685
Energy: 0.6275603939379746
Energy: 0.6524569435168566
Energy: 0.6275603939379746
Energy: 0.614673746001692
Energy: 0.6263407154386353
Energy: 0.6259832922395457
Energy: 0.6263407154380376
Energy: 0.653081547676258
Energy: 0.6267086922757662
Energy: 0.6114128485637648
Energy: 0.626708692273973
Energy: 0.6287184831054827
Energy: 0.6258595111524907
Energy: 0.5959673436102756
Energy: 0.6258595111530884
Energy: 0.6005329193890414
Energy: 0.6056018404436995
Energy: 0.5935213210547782
Energy: 0.6056018404460904
Energy: 0.5999345825669553
Energy: 0.607179657932134
Energy: 0.6036710320413206
Energy: 0.6071796579315364
Energy: 0.5703974655627797
Energy: 0.5701103407516858
Energy: 0.5997069321973105
Energy: 0.570110340751088
Energy: 0.5707084217369242
Energy: 0.5710586220865221
Energy: 0.5980264063013178
Energy: 0.5710586220871198
Energy: 0.5677536203189222
Energy: 0.5724856092894584
Energy: 0.6119339962872702
Energy: 0.5724856070727641

minimum gb energy = 0.5676411577956763 eV
minimum distance =  2.60344267990829 Angstroms
sigma value = 1


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

Energy: 0.9263168235063095
Energy: 0.5877277565250301
Energy: 0.6333147662753867
Energy: 0.5877277565257116
Energy: 0.5970568180207443
Energy: 0.6466961136149112
Energy: 0.5908615186885852
Energy: 0.6466961136162743
Energy: 0.6331988912283325
Energy: 0.6338796300367281
Energy: 0.8486011952051169
Energy: 0.6338796300442252
Energy: 0.5945543133544335
Energy: 0.5907978895179757
Energy: 0.5910962913355345
Energy: 0.5907978895193389
Energy: 0.8473527934818451
Energy: 0.5901428660966648
Energy: 0.5916127822198709
Energy: 0.5901428660953016
Energy: 0.634463281841976
Energy: 0.6276707865599245
Energy: 0.5910311054086942
Energy: 0.6276707865640138
Energy: 0.6263144168106215
Energy: 0.6368718212207809
Energy: 0.7133145468702449
Energy: 0.6368718212207809
Energy: 0.6277097762188429
Energy: 0.6379960047235445
Energy: 0.6589315786231041
Energy: 0.6379960047269523
Energy: 0.7123998673955061
Energy: 0.6601369582817576
Energy: 0.6564612261074798
Energy: 0.6601369582844838
Energy: 0.6571038189669383
Energy: 0.6645301009733946
Energy: 0.6258710330943573
Energy: 0.664530100978847
Energy: 0.5971362301071641
Energy: 0.634776405537455
Energy: 0.6263007013083436
Energy: 0.6347764055367734
Energy: 0.6277665745426815
Energy: 0.6356874491970713
Energy: 0.6325639103095201
Energy: 0.6356874491936636
Energy: 0.5919106037945325
Energy: 0.5902107212692975
Energy: 0.7644787532287043
Energy: 0.5902107212699791
Energy: 0.5912398360859499
Energy: 0.5919443636795082
Energy: 0.6221594336468247
Energy: 0.5919443636781452
Energy: 0.5856220464245999
Energy: 0.6338775948085225
Energy: 0.6325726785957854
Energy: 0.6338775948139749
Energy: 0.6007310850534704
Energy: 0.5913543481972943
Energy: 0.5904329769935982
Energy: 0.5913543481938865
Energy: 0.6353795595339894
Energy: 0.6340605824075116
Energy: 0.5912411609314805
Energy: 0.634060582405467
Energy: 0.5947559693491462
Energy: 0.5911530028427152
Energy: 0.6307708087210584
Energy: 0.591153002847486
Energy: 0.591034017327758
Energy: 0.5940191558006369
Energy: 0.5944151671554819
Energy: 0.5940191558006369
Energy: 0.6329520645799366
Energy: 0.592236531383043
Energy: 0.5911406321857485
Energy: 0.59223653138168
Energy: 0.625385114145726
Energy: 0.6363667587820695
Energy: 0.7129394905801626
Energy: 0.6363667587827511
Energy: 0.625025758739559
Energy: 0.6375856058246107
Energy: 0.6590662589842229
Energy: 0.6375856058191582
Energy: 0.7129982791908176
Energy: 0.6602374227581074
Energy: 0.6550322896388959
Energy: 0.660237422760152
Energy: 0.6566143237140435
Energy: 0.6609176703164706
Energy: 0.6253645619526372
Energy: 0.6609176703171522
Energy: 0.5949691157762133
Energy: 0.6357394882964033
Energy: 0.6271897738341745
Energy: 0.6357394882977664
Energy: 0.6275503517496692
Energy: 0.6356550144960138
Energy: 0.6337781483373125
Energy: 0.6356550144960138
Energy: 0.5907315687309427
Energy: 0.5905790668522485
Energy: 0.6295259734313436
Energy: 0.5905790668563068
Energy: 0.5912084292857699
Energy: 0.5915299465870598
Energy: 0.6225043145270632
Energy: 0.5915299465877413
Energy: 0.584055400068106
Energy: 0.5941238521690541
Energy: 0.6336190086574505
Energy: 0.5941238521690541

minimum gb energy = 0.584055400068106 eV
minimum distance =  2.59083712271518 Angstroms
sigma value = 25


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

Energy: 0.8866252780683066
Energy: 0.604270255926362
Energy: 0.6569268888242354
Energy: 0.6042702559271541
Energy: 0.6247859511191435
Energy: 0.6675220957717471
Energy: 0.6149163055964868
Energy: 0.6675220957725395
Energy: 0.6568840963677819
Energy: 0.6560249530047861
Energy: 0.8040837834551181
Energy: 0.6560249530032015
Energy: 0.6186160007920566
Energy: 0.6128434203754026
Energy: 0.6142580762894703
Energy: 0.6128434203746103
Energy: 0.8032847378422928
Energy: 0.6137922726343807
Energy: 0.6152471991795381
Energy: 0.6137922726343807
Energy: 0.66917137079389
Energy: 0.6150660575695899
Energy: 0.6134945145859519
Energy: 0.6150660575680054
Energy: 0.6488176650349814
Energy: 0.6754643611331567
Energy: 0.6731911697744587
Energy: 0.6754643611331567
Energy: 0.6482876093599366
Energy: 0.6768778823225391
Energy: 0.6940594541054856
Energy: 0.6768778823225391
Energy: 0.6740474000386696
Energy: 0.6748774259890472
Energy: 0.7207497077743602
Energy: 0.6748774259890472
Energy: 0.6690444782755172
Energy: 0.6754428876727924
Energy: 0.6139913530254473
Energy: 0.6754428876720001
Energy: 0.6004740416621835
Energy: 0.6132123297631255
Energy: 0.6132135321359757
Energy: 0.6132123297662947
Energy: 0.5994564052792923
Energy: 0.6137868052896213
Energy: 0.6146866830050404
Energy: 0.6137868052904135
Energy: 0.655612994372799
Energy: 0.6561893525536846
Energy: 0.6468111564414897
Energy: 0.6561893525552691
Energy: 0.614173403398847
Energy: 0.6185222972658527
Energy: 0.6242689975531722
Energy: 0.6185222972745679
Energy: 0.611726375154915
Energy: 0.656508275498269
Energy: 0.6585825475365391
Energy: 0.6565082754990612
Energy: 0.6669226260295494
Energy: 0.6128518914851829
Energy: 0.6175613976368118
Energy: 0.6128518914851829
Energy: 0.6132401506504047
Energy: 0.6179281012827395
Energy: 0.6117888539119558
Energy: 0.6179281012811549
Energy: 0.6134649002226508
Energy: 0.6139755440107966
Energy: 0.6700427784134306
Energy: 0.6139755440115888
Energy: 0.6730947152812972
Energy: 0.6766825796308444
Energy: 0.6682244125360995
Energy: 0.6766825796308444
Energy: 0.6963560827161567
Energy: 0.6767296632110738
Energy: 0.6499258282747622
Energy: 0.6767296632110738
Energy: 0.6256581286626883
Energy: 0.6747697883393443
Energy: 0.6746405611047809
Energy: 0.6747697883393443
Energy: 0.6633503202068454
Energy: 0.6742575100668337
Energy: 0.6713058829935252
Energy: 0.6742575100668337
Energy: 0.6121989334142676
Energy: 0.6130998299349324
Energy: 0.5996206293905068
Energy: 0.6130998299373092
Energy: 0.6136219729497552
Energy: 0.6138636405528959
Energy: 0.5994346066139715
Energy: 0.6138636405521035
Energy: 0.5990676988340465
Energy: 0.6177652927000777
Energy: 0.6572551229691069
Energy: 0.6177652927000777

minimum gb energy = 0.5990676988340465 eV
minimum distance =  2.5965391215942 Angstroms
sigma value = 9


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

Energy: 0.8276979196111077
Energy: 0.6193600896587964
Energy: 0.6801887567348622
Energy: 0.6193600896597415
Energy: 0.6852336277543952
Energy: 0.6877206741871886
Energy: 0.64426933422337
Energy: 0.6877206741871886
Energy: 0.6795103995135959
Energy: 0.6791120096009037
Energy: 0.6479053494433755
Energy: 0.6791120096018488
Energy: 0.6516841184284109
Energy: 0.6888650781269926
Energy: 0.6443034142495982
Energy: 0.6888650781260475
Energy: 0.7485561362445697
Energy: 0.6438849043657389
Energy: 0.6477440262167726
Energy: 0.6438849043657389
Energy: 0.651652121422277
Energy: 0.6443560506914332
Energy: 0.6456013574362026
Energy: 0.6443560506923783
Energy: 0.6743056142793361
Energy: 0.7169458704510756
Energy: 0.6449646798654516
Energy: 0.7169458704529659
Energy: 0.661603902018558
Energy: 0.7184298944779757
Energy: 0.7168970039901239
Energy: 0.7184298944789207
Energy: 0.6432909415031512
Energy: 0.6438949773227093
Energy: 0.6131749438302031
Energy: 0.6438949773236546
Energy: 0.643896371112125
Energy: 0.6438996889261539
Energy: 0.611777814172496
Energy: 0.6438996889242635
Energy: 0.6112370528187239
Energy: 0.6792158347283599
Energy: 0.6783352746324028
Energy: 0.6792158347283599
Energy: 0.6840415484573488
Energy: 0.6502837873596617
Energy: 0.6437176306012317
Energy: 0.6502837873417256
Energy: 0.679017812106142
Energy: 0.6797621342372534
Energy: 0.6479279665465005
Energy: 0.6797621342372534
Energy: 0.6815437111193036
Energy: 0.6442404149707636
Energy: 0.6768897045310331
Energy: 0.6442404149962822
Energy: 0.7474067455579535
Energy: 0.6505745370510618
Energy: 0.6437643801854054
Energy: 0.6505745370510618
Energy: 0.6513137065699356
Energy: 0.6439988707577644
Energy: 0.6450187848425121
Energy: 0.6439988707587095
Energy: 0.6713621679784783
Energy: 0.7182627040117763
Energy: 0.6441525921294777
Energy: 0.7182627040127214
Energy: 0.67279833647877
Energy: 0.717464741777831
Energy: 0.6677112234295957
Energy: 0.717464741777831
Energy: 0.6424055416050368
Energy: 0.6439208494172863
Energy: 0.6117647121327151
Energy: 0.6439208494182315
Energy: 0.6440582560025808
Energy: 0.6444153711533787
Energy: 0.6120484416131299
Energy: 0.6444153711543238
Energy: 0.6113527875180793
Energy: 0.6501777186191381
Energy: 0.680072688461515
Energy: 0.6501777186200832

minimum gb energy = 0.6112370528187239 eV
minimum distance =  2.58912606536128 Angstroms
sigma value = 25


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

Energy: 0.7439014022281615
Energy: 0.6374114162285498
Energy: 0.7066610271796095
Energy: 0.6374114162297188
Energy: 0.7028321155631783
Energy: 0.6848379186596482
Energy: 0.6519858527841469
Energy: 0.6848379186584794
Energy: 0.7055093523277686
Energy: 0.7052025343903533
Energy: 0.6296554804532805
Energy: 0.7052025343903533
Energy: 0.7051832404314351
Energy: 0.6846588166758184
Energy: 0.6505267434499435
Energy: 0.6846588166769872
Energy: 0.6857205620332317
Energy: 0.723438470007794
Energy: 0.6528537276559583
Energy: 0.7234384700066251
Energy: 0.6318637102166023
Energy: 0.6920972921256479
Energy: 0.6496297541584377
Energy: 0.692097292124479
Energy: 0.7433164818654455
Energy: 0.6918517889139143
Energy: 0.6886459601616572
Energy: 0.6918517889104078
Energy: 0.628139946248761
Energy: 0.7281686889169978
Energy: 0.6517590408380086
Energy: 0.728168688915829
Energy: 0.7042790700686355
Energy: 0.7048611558277733
Energy: 0.6289799382485651
Energy: 0.7048611558254357
Energy: 0.7245451258180642
Energy: 0.7248652376491465
Energy: 0.6291265618913506
Energy: 0.7248652376479777
Energy: 0.691111280025943
Energy: 0.7064261997075232
Energy: 0.70665804180653
Energy: 0.7064261997075232
Energy: 0.704195320883588
Energy: 0.6864267536623474
Energy: 0.7060323352193899
Energy: 0.6864267536623474
Energy: 0.6504515383807992
Energy: 0.7275297420142999
Energy: 0.6861306118760115
Energy: 0.7275297420142999
Energy: 0.6517154675619395
Energy: 0.6911942202911705
Energy: 0.633234310491327
Energy: 0.6911942202911705
Energy: 0.687744729531405
Energy: 0.6920175476599373
Energy: 0.62823229403362
Energy: 0.6920175476611061
Energy: 0.6503369272828118
Energy: 0.7239881490487611
Energy: 0.6285892125109637
Energy: 0.7239881490475922
Energy: 0.6291892133149404
Energy: 0.6343802027460409
Energy: 0.7074945010366369
Energy: 0.6343802027460409

minimum gb energy = 0.628139946248761 eV
minimum distance =  2.65737783189775 Angstroms
sigma value = 17


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

Energy: 1.0382623680380485
Energy: 0.7260316552881618
Energy: 0.7688194747436629
Energy: 0.7260316552881618
Energy: 0.6984239982596254
Energy: 0.6940518941392791
Energy: 0.7890210819098448
Energy: 0.6940518941379852
Energy: 0.69035562993237
Energy: 0.6878312576918961
Energy: 0.7257598168127589
Energy: 0.6878312576932202
Energy: 0.6878269800556294
Energy: 0.7415451249095996
Energy: 0.692771469221113
Energy: 0.7415451249095996
Energy: 0.7336304209101469
Energy: 0.7529896497447639
Energy: 0.718637433331454
Energy: 0.7529896497441018
Energy: 0.6949350325928351
Energy: 0.7629037514528639
Energy: 0.6887998647395683
Energy: 0.762903751453526
Energy: 0.7195958935748015
Energy: 0.6875035551092245
Energy: 0.6869083037124807
Energy: 0.6875035551085624
Energy: 0.795306117048235
Energy: 0.6929513470323205
Energy: 0.6870535033265135
Energy: 0.6929513470343065
Energy: 0.7735376313832885
Energy: 0.7703699866188787
Energy: 0.7842456617582786
Energy: 0.7703699866175547
Energy: 0.7727561482892805
Energy: 0.7392864337929673
Energy: 0.7392523583313475
Energy: 0.7392864337929673
Energy: 0.7835909639799694
Energy: 0.6874145080610747
Energy: 0.6663913452181737
Energy: 0.6874145080610747
Energy: 0.7371000340653947
Energy: 0.6864527426993772
Energy: 0.6856588482092529
Energy: 0.6864527426993772
Energy: 0.7260625162428519
Energy: 0.6855300969493607
Energy: 0.6848162491577804
Energy: 0.6855300969500228
Energy: 0.7228320348478758
Energy: 0.6935667358552271
Energy: 0.6669386233485272
Energy: 0.6935667358558891
Energy: 0.7720306185239928
Energy: 0.736174759860795
Energy: 0.7946904401509008
Energy: 0.7361747598601329
Energy: 0.7699409702925752
Energy: 0.783044673949905
Energy: 0.7863340085725422
Energy: 0.7830446739485809
Energy: 0.7270749768599284
Energy: 0.6883012511044079
Energy: 0.6872678015316663
Energy: 0.688301251103746
Energy: 0.7821307461926736
Energy: 0.692985718660302
Energy: 0.6860825570533823
Energy: 0.6929857186576539
Energy: 0.6993024820745618
Energy: 0.762437675093617
Energy: 0.6888684778307759
Energy: 0.762437675092955
Energy: 0.7154448920277406
Energy: 0.7540391974003039
Energy: 0.6894068566516833
Energy: 0.7540391973996419
Energy: 0.6880316327698023
Energy: 0.6933025649823078
Energy: 0.7928005080082603
Energy: 0.6933025649829698
Energy: 0.6876042823657119
Energy: 0.6874042635360987
Energy: 0.8505453230221542
Energy: 0.6874042635367608
Energy: 0.7514033901275866
Energy: 0.7378515425119947
Energy: 0.7699629598938464
Energy: 0.7378515425126566
Energy: 0.727078028201578
Energy: 0.7695403586624852
Energy: 0.7675217073192077
Energy: 0.7695403586624852
Energy: 0.6693723213362585
Energy: 0.6933199676361242
Energy: 0.7885009515993928
Energy: 0.6933199676361242
Energy: 0.6859686672222589
Energy: 0.6860872276573274
Energy: 0.729031153942796
Energy: 0.6860872276540175
Energy: 0.6659079105132979
Energy: 0.6690232379765748
Energy: 0.735278918091578
Energy: 0.6690232379759128
Energy: 0.6883398267432979
Energy: 0.6867311380844419
Energy: 0.7200746298810163
Energy: 0.6867311380837798
Energy: 0.671068092002367
Energy: 0.6938749936578595
Energy: 0.719743463960487
Energy: 0.6938749936585215
Energy: 0.7311043199059915
Energy: 0.769673447800834
Energy: 0.7677673782444844
Energy: 0.769673447800834

minimum gb energy = 0.6659079105132979 eV
minimum distance =  2.60723834293283 Angstroms
sigma value = 53


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

Energy: 0.9446370307456113
Energy: 0.6290508704057587
Energy: 0.7224311764326953
Energy: 0.6290508704072828
Energy: 0.8085239765948747
Energy: 0.6654516377845323
Energy: 0.7181442411388261
Energy: 0.6654516377830083
Energy: 0.7211552753708699
Energy: 0.7193324665382171
Energy: 0.7352286408703735
Energy: 0.7193324665382171
Energy: 0.7214635988687564
Energy: 0.6666962179904273
Energy: 0.7464336592813924
Energy: 0.6666962179873793
Energy: 0.7199330460640234
Energy: 0.6663703709899155
Energy: 0.6176488392100135
Energy: 0.6663703709899155
Energy: 0.7448431329748413
Energy: 0.670350107997601
Energy: 0.6320182033367695
Energy: 0.6703501079991249
Energy: 0.8081964932539624
Energy: 0.7193886782834037
Energy: 0.7181201229680992
Energy: 0.7193886782834037
Energy: 0.8068043526164159
Energy: 0.6676700116122067
Energy: 0.7194766736832454
Energy: 0.6676700116137306
Energy: 0.7202363737913638
Energy: 0.7221524348403819
Energy: 0.7339284380596117
Energy: 0.7221524348403819
Energy: 0.7231205899172382
Energy: 0.6671402955968133
Energy: 0.7328828976683679
Energy: 0.6671402955983373
Energy: 0.7196410842063738
Energy: 0.6690363990974301
Energy: 0.6339799838379505
Energy: 0.6690363990974301
Energy: 0.7200879059153951
Energy: 0.6656609514944812
Energy: 0.6192010254851653
Energy: 0.6656609514960051
Energy: 0.8067526724171565
Energy: 0.6694014859373254
Energy: 0.720894443674009
Energy: 0.6694014859358016

minimum gb energy = 0.6176488392100135 eV
minimum distance =  2.64489533476196 Angstroms
sigma value = 9


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

Energy: 0.9255780930644898
Energy: 0.7664020579800205
Energy: 0.8109993164461676
Energy: 0.7664020579794564
Energy: 0.7340895756884128
Energy: 0.68477941386528
Energy: 0.8215139270020133
Energy: 0.6847794139205571
Energy: 0.6913718511740332
Energy: 0.6873775894873119
Energy: 0.8060861134543218
Energy: 0.6873775894568532
Energy: 0.6915722087203131
Energy: 0.6857424757703984
Energy: 0.8223494078417812
Energy: 0.68574247570784
Energy: 0.6861021398056141
Energy: 0.6846126649422639
Energy: 0.8601706046176401
Energy: 0.6846126649422639
Energy: 0.6946016636098601
Energy: 0.6845709197008941
Energy: 0.8720491721179363
Energy: 0.6845709196980739
Energy: 0.8101384303841654
Energy: 0.808124862468386
Energy: 0.8180212915453526
Energy: 0.8081248624655658
Energy: 0.8095241888359457
Energy: 0.7534178106140489
Energy: 0.8087556113643751
Energy: 0.7534178106129208
Energy: 0.7212256266650355
Energy: 0.7718589683798844
Energy: 0.7360396735812719
Energy: 0.7718589683804485
Energy: 0.6822574183056381
Energy: 0.7349789000649608
Energy: 0.8110782141707313
Energy: 0.7349789000717294
Energy: 0.7212045014022417
Energy: 0.7191278563861456
Energy: 0.7550785746001735
Energy: 0.7191278563867096
Energy: 0.7217617674716083
Energy: 0.731497019580398
Energy: 0.8568862453391162
Energy: 0.7314970195792699
Energy: 0.8224779988992612
Energy: 0.7210348355458251
Energy: 0.7290925176699344
Energy: 0.721034835544697
Energy: 0.8151673732033272
Energy: 0.7210967892812589
Energy: 0.7226622211539783
Energy: 0.7210967892806948
Energy: 0.8082048572781625
Energy: 0.7239390273381535
Energy: 0.7343077518559602
Energy: 0.7239390274091727
Energy: 0.7868603385746668
Energy: 0.7654235658230285
Energy: 0.7267938644295501
Energy: 0.7654235658219004
Energy: 0.8112789418309636
Energy: 0.6874187837845493
Energy: 0.7212702802435588
Energy: 0.6874187837834211
Energy: 0.8094105851929758
Energy: 0.8101911697438111
Energy: 0.9237483296423363
Energy: 0.810191169574083
Energy: 0.8213251206062057
Energy: 0.6853960824365709
Energy: 0.6850242583505662
Energy: 0.6853960824399554
Energy: 0.8593607524321698
Energy: 0.6868572972845024
Energy: 0.6925883732620083
Energy: 0.6868572972782978
Energy: 0.8552859248942837
Energy: 0.6853758836387567
Energy: 0.6873695777787602
Energy: 0.6853758836562425
Energy: 0.8603697451295239
Energy: 0.6850972409314882
Energy: 0.6854007031795444
Energy: 0.6850972409444614
Energy: 0.8605037845492467
Energy: 0.6845831431108145
Energy: 0.6923208863561098
Energy: 0.6845831431141988
Energy: 0.8183402371894417
Energy: 0.8078752372251888
Energy: 0.8102954272739549
Energy: 0.8078752372241119
Energy: 0.8080997453449201
Energy: 0.7574505446669901
Energy: 0.8098832371084915
Energy: 0.7574505446681182
Energy: 0.73547063010019
Energy: 0.7723795360846549
Energy: 0.7197728635881426
Energy: 0.7723795360840908
Energy: 0.8126748319539707
Energy: 0.7635458010095814
Energy: 0.6819198792465851
Energy: 0.763545801005633
Energy: 0.7742528683719211
Energy: 0.7210232254228502
Energy: 0.7195797399524263
Energy: 0.7210232254245423
Energy: 0.8563902139164907
Energy: 0.7231883784633734
Energy: 0.7203268432747628
Energy: 0.7231883784628093
Energy: 0.7277097621968992
Energy: 0.7214563655602205
Energy: 0.8215240574337241
Energy: 0.7214563655596565
Energy: 0.7220834810680836
Energy: 0.7225217749902331
Energy: 0.8049150956119483
Energy: 0.7225217749907971
Energy: 0.7271718902961997
Energy: 0.7270466633132473
Energy: 0.8173228198858185
Energy: 0.7270466633155034
Energy: 0.7279306465311727
Energy: 0.7646742045598905
Energy: 0.7835210649378217
Energy: 0.7646742045632747
Energy: 0.7206317649082821
Energy: 0.6873990517000891
Energy: 0.7557186840761394
Energy: 0.6873990517006531
Energy: 0.8598224313917486
Energy: 0.8087883177453362
Energy: 0.808317321857928
Energy: 0.8087883177447722

minimum gb energy = 0.6819198792465851 eV
minimum distance =  2.59907340799007 Angstroms
sigma value = 73


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

Energy: 0.9782826194678148
Energy: 0.7384315533771995
Energy: 0.7854749107315889
Energy: 0.7384315533780943
Energy: 0.6906679504047855
Energy: 0.6996531388817273
Energy: 0.7792122307362561
Energy: 0.6996531388656393
Energy: 0.7040135935458506
Energy: 0.7007304799187619
Energy: 0.8001100744414731
Energy: 0.7007304799187619
Energy: 0.701095523050768
Energy: 0.700282567766725
Energy: 0.8555665059691491
Energy: 0.7002825677622505
Energy: 0.7016133428387941
Energy: 0.7002702310860806
Energy: 0.8181421957526565
Energy: 0.7002702310860806
Energy: 0.7342111666087586
Energy: 0.7007291299191123
Energy: 0.8185531507957865
Energy: 0.7007291299191123
Energy: 0.7466735643713571
Energy: 0.7981294787903487
Energy: 0.8105993703479787
Energy: 0.7981294787894537
Energy: 0.7343650788871596
Energy: 0.767824581250346
Energy: 0.7967945113409406
Energy: 0.767824581250346
Energy: 0.7214477200966731
Energy: 0.688188474184919
Energy: 0.7991402454716143
Energy: 0.6881884741840242
Energy: 0.7321505312304343
Energy: 0.7721075117684479
Energy: 0.79847902928864
Energy: 0.7721075117684479
Energy: 0.7215851668798007
Energy: 0.6852948149229298
Energy: 0.6868600216772316
Energy: 0.6852948149220349
Energy: 0.7209770728858603
Energy: 0.6959226181116777
Energy: 0.8376591020155103
Energy: 0.6959226180973591
Energy: 0.8044317782408815
Energy: 0.7380727292108447
Energy: 0.7212097130476778
Energy: 0.7380727292108447
Energy: 0.7999963855250544
Energy: 0.7300681767532243
Energy: 0.7259923055040534
Energy: 0.7300681767523294
Energy: 0.8074893396742954
Energy: 0.756365467788911
Energy: 0.7223237938305932
Energy: 0.756365467788016
Energy: 0.8466582877277121
Energy: 0.7201759388853702
Energy: 0.7245062575734503
Energy: 0.7201759388862652
Energy: 0.8183593935802785
Energy: 0.7588880478144778
Energy: 0.727367963449026
Energy: 0.7588880478144778
Energy: 0.7906828901991999
Energy: 0.7909382058843373
Energy: 0.7478098620545784
Energy: 0.7909382058861271
Energy: 0.778408548968833
Energy: 0.7501400660052293
Energy: 0.7469204401557902
Energy: 0.7501400660043345
Energy: 0.7952210348614224
Energy: 0.7486349868253459
Energy: 0.7813382836900529
Energy: 0.7486349868235561
Energy: 0.7792236141647725
Energy: 0.770820456903728
Energy: 0.7304505879041032
Energy: 0.770820456903728
Energy: 0.8175602038989486
Energy: 0.777124410282976
Energy: 0.7770242722574464
Energy: 0.777124410282081

minimum gb energy = 0.6852948149220349 eV
minimum distance =  2.58579275125204 Angstroms
sigma value = 7


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

Energy: 1.1340564612173465
Energy: 0.7278153353254904
Energy: 0.7936743862936665
Energy: 0.7278153353210608
Energy: 0.6904867494944911
Energy: 0.7025765544483008
Energy: 0.7759390645798844
Energy: 0.7025765544451368
Energy: 0.7012566539551753
Energy: 0.7032733717536249
Energy: 0.773944341945357
Energy: 0.7032733717548906
Energy: 0.7007662813138341
Energy: 0.7017808234922274
Energy: 0.8400620994308703
Energy: 0.7017808235409243
Energy: 0.70494831354766
Energy: 0.7047342806921075
Energy: 0.8296464947329435
Energy: 0.7047342806952716
Energy: 0.7045406787913904
Energy: 0.7063959081606549
Energy: 0.8275545083166719
Energy: 0.7063959081606549
Energy: 0.7899320787434724
Energy: 0.7047285323276536
Energy: 0.7057219639891024
Energy: 0.7047285323295521
Energy: 0.77238216019396
Energy: 0.7039796282080317
Energy: 0.703591690386449
Energy: 0.7039796282048678
Energy: 0.7768040594263521
Energy: 0.701419532819645
Energy: 0.6996178917639057
Energy: 0.7014195328234418
Energy: 0.8463971158018394
Energy: 0.7031158519820496
Energy: 0.7029223873176055
Energy: 0.7031158520377073
Energy: 0.7832295779148847
Energy: 0.747907894465033
Energy: 0.7005257680893546
Energy: 0.7479078944662987
Energy: 0.7847765676764075
Energy: 0.7761320637081127
Energy: 0.787778516783343
Energy: 0.7761320637062143
Energy: 0.7718295963680921
Energy: 0.7456910200281147
Energy: 0.7789571146088785
Energy: 0.7456910200331771
Energy: 0.7699837514312579
Energy: 0.7442882031398693
Energy: 0.7082384028403886
Energy: 0.7442882031386037
Energy: 0.7780917833580318
Energy: 0.7449203506278457
Energy: 0.7109476651115465
Energy: 0.7449203506234161
Energy: 0.7154141726266288
Energy: 0.7765424291742835
Energy: 0.7848008456852591
Energy: 0.7765424291749162
Energy: 0.7155897329963011
Energy: 0.7471883120025373
Energy: 0.7764499259718005
Energy: 0.7471883120044357
Energy: 0.7036357532311083
Energy: 0.7047655199033767
Energy: 0.7763384845951992
Energy: 0.7047655199033767
Energy: 0.6999693075959723
Energy: 0.7010214313938554
Energy: 0.7758403403115713
Energy: 0.7010214313963866
Energy: 0.7041579498243828
Energy: 0.7049318404691697
Energy: 0.7113432119939674
Energy: 0.7049318404691697
Energy: 0.7056905886395826
Energy: 0.7050701551215474
Energy: 0.8311880510578653
Energy: 0.7050701551202817
Energy: 0.7725383712491499
Energy: 0.7047055912664463
Energy: 0.7024678053231218
Energy: 0.7047055912651806
Energy: 0.7790553557342776
Energy: 0.7048792830749562
Energy: 0.7026836661580276
Energy: 0.7048792830743235
Energy: 0.838964831524376
Energy: 0.7019793558368608
Energy: 0.7012913727233324
Energy: 0.7019793558362281
Energy: 0.8372650426816172
Energy: 0.7030289290654714
Energy: 0.7006491487409541
Energy: 0.703028929069901
Energy: 0.8275357926459478
Energy: 0.7027816356008075
Energy: 0.7050496641008902
Energy: 0.7027816356046043
Energy: 0.793818420286744
Energy: 0.7909171947694287
Energy: 0.988609024497284
Energy: 0.790917194768163
Energy: 0.7721964626427698
Energy: 0.7460606866125321
Energy: 0.7765230877258159
Energy: 0.7460606866100298
Energy: 0.7739775698702571
Energy: 0.7447815385679006
Energy: 0.7723507409880663
Energy: 0.7447815385691662
Energy: 0.7744154151885948
Energy: 0.790900874761093
Energy: 0.7078839142664979
Energy: 0.7909008747642571
Energy: 0.7077000379016444
Energy: 0.7747142707003829
Energy: 0.7771431165008893
Energy: 0.7747142707022814

minimum gb energy = 0.6904867494944911 eV
minimum distance =  2.59132123719599 Angstroms
sigma value = 29


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

Energy: 0.6547474203820308
Energy: 0.6583115095434541
Energy: 0.720744993194818
Energy: 0.6583115095440908
Energy: 0.656092730756176
Energy: 0.7152141195442104
Energy: 0.6733813614112952
Energy: 0.7152141195446269
Energy: 0.6685704460972901
Energy: 0.7076219531472401
Energy: 0.6569319059198173
Energy: 0.7076219531472401
Energy: 0.6643566248654861
Energy: 0.6685100364048604
Energy: 0.6772035301937821
Energy: 0.6685100364048604
Energy: 0.66671840525975
Energy: 0.672441671386579
Energy: 0.6557369601235683
Energy: 0.6724416713880973
Energy: 0.676993918479799
Energy: 0.7194852569512263
Energy: 0.6568679879862489
Energy: 0.7194852569510304
Energy: 0.652386579495216
Energy: 0.7033012768696966
Energy: 0.6688746235528268
Energy: 0.7033012768699168
Energy: 0.6731675188438027
Energy: 0.6750928003800534
Energy: 0.662979058009412
Energy: 0.675092800381131
Energy: 0.6560640170701141
Energy: 0.6736068634897799
Energy: 0.6723676648253408
Energy: 0.6736068634906615

minimum gb energy = 0.652386579495216 eV
minimum distance =  2.62139498800974 Angstroms
sigma value = 5


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

Energy: 0.8990080884143623
Energy: 0.6435864182764331
Energy: 0.7453795782254866
Energy: 0.6435864182817859
Energy: 0.7783662227136086
Energy: 0.6622448258839745
Energy: 0.7622129497604531
Energy: 0.6622448258845721
Energy: 0.7618298030557324
Energy: 0.7167167396195336
Energy: 0.7695647550735397
Energy: 0.7167167396195336
Energy: 0.6792147829511902
Energy: 0.6602866813230301
Energy: 0.7716857295099756
Energy: 0.6602866813224325
Energy: 0.6853280974941476
Energy: 0.6757108795096122
Energy: 0.7664536960690689
Energy: 0.6757108795096122
Energy: 0.6747524938193615
Energy: 0.6664645656711076
Energy: 0.7673794150629542
Energy: 0.6664645656699121
Energy: 0.6598747299877394
Energy: 0.6609378134325242
Energy: 0.7714555386105025
Energy: 0.6609378134325242
Energy: 0.6667454957898312
Energy: 0.662418897454409
Energy: 0.8299720788154268
Energy: 0.6624188974550066
Energy: 0.6818818187627241
Energy: 0.6796981450923342
Energy: 0.833453826012921
Energy: 0.6796981450923342
Energy: 0.786461480944375
Energy: 0.6415327872322603
Energy: 0.6471762887295001
Energy: 0.6415327872316624
Energy: 0.7436179260413165
Energy: 0.6402205308838179
Energy: 0.642225954839182
Energy: 0.6402205308838179
Energy: 0.8488641636440005
Energy: 0.6418616371925582
Energy: 0.638854862012143
Energy: 0.6418616371925582
Energy: 0.854443724428287
Energy: 0.6404435284008019
Energy: 0.6455009627439923
Energy: 0.6404435284013996
Energy: 0.7459308866974972
Energy: 0.6751763172749731
Energy: 0.7658941626892598
Energy: 0.6751763172743754
Energy: 0.6612658017292344
Energy: 0.6617066402198144
Energy: 0.768110528568241
Energy: 0.6617066402192165
Energy: 0.6622973406928576
Energy: 0.6614380657646315
Energy: 0.8031144642340133
Energy: 0.6614380657652291
Energy: 0.6826401500668852
Energy: 0.6610978555405399
Energy: 0.6781398150414311
Energy: 0.6610978555405399
Energy: 0.7705634206026781
Energy: 0.66299349485637
Energy: 0.6476885358517338
Energy: 0.6629934949137546
Energy: 0.7716653776566549
Energy: 0.7175524670778846
Energy: 0.7631518488692394
Energy: 0.717552467076689
Energy: 0.7751353673043209
Energy: 0.7703900222265828
Energy: 0.6780016492123921
Energy: 0.7703900222301693
Energy: 0.7666820199659484
Energy: 0.6663062627446685
Energy: 0.7738627160768029
Energy: 0.6663062627440708
Energy: 0.7676011848748522
Energy: 0.6757990132552402
Energy: 0.6771936382683891
Energy: 0.6757990132546424
Energy: 0.7725618643856784
Energy: 0.6607612609558858
Energy: 0.6604260865063202
Energy: 0.6607612609564836
Energy: 0.8562493144862005
Energy: 0.6611199209006764
Energy: 0.6643842503081975
Energy: 0.6611199208988832
Energy: 0.848694195221705
Energy: 0.6795668945011684
Energy: 0.7439282402405797
Energy: 0.6795668945011684
Energy: 0.652992739578955
Energy: 0.6442498847761154
Energy: 0.7867051757630438
Energy: 0.6442498847761154
Energy: 0.6464628080475496
Energy: 0.6407814576866316
Energy: 0.6764891375792673
Energy: 0.6407814576860339
Energy: 0.6398510147332818
Energy: 0.6420179312776703
Energy: 0.6879693778792351
Energy: 0.6420179312782679
Energy: 0.6572853513184542
Energy: 0.6942824781188789
Energy: 0.8567445915767824
Energy: 0.6942824781188789
Energy: 0.7671518464912938
Energy: 0.6815153414234921
Energy: 0.7160310808262017
Energy: 0.6815153414234921
Energy: 0.7684356821921011
Energy: 0.6603065122081301
Energy: 0.6635097101296455
Energy: 0.6603065122123145
Energy: 0.7727272117397588
Energy: 0.6603348772760643
Energy: 0.6626425745349513
Energy: 0.6603348772772598
Energy: 0.6789050850754684
Energy: 0.6606205697035463
Energy: 0.6809265248775344
Energy: 0.6606205708728373

minimum gb energy = 0.638854862012143 eV
minimum distance =  2.59431442523152 Angstroms
sigma value = 1


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

Energy: 0.9523736348188435
Energy: 0.6127175071924013
Energy: 0.7255657410967127
Energy: 0.6127175071907484
Energy: 0.6818580381985583
Energy: 0.6286667351058549
Energy: 0.6424364661713363
Energy: 0.6286667351050285
Energy: 0.6426818008084728
Energy: 0.6986554627778118
Energy: 0.6457940069461546
Energy: 0.6986554627786383
Energy: 0.6461025860412891
Energy: 0.7000352794554782
Energy: 0.6286644781992055
Energy: 0.7000352794562671
Energy: 0.6494968456209567
Energy: 0.6432796446300768
Energy: 0.653940912867228
Energy: 0.6432796446317298
Energy: 0.6452636882823818
Energy: 0.6431685490384591
Energy: 0.6540966698463171
Energy: 0.6431685490392856
Energy: 0.6247133250823443
Energy: 0.626408674344779
Energy: 0.6511375467659625
Energy: 0.6264086743456054
Energy: 0.6358876479551732
Energy: 0.6294923592340644
Energy: 0.6066260501787779
Energy: 0.6294923592324115
Energy: 0.6492417994043747
Energy: 0.6593250873277453
Energy: 0.6055294664615647
Energy: 0.6593250873293983
Energy: 0.6538153530531289
Energy: 0.630566953659025
Energy: 0.6471420063200027
Energy: 0.6305669536606779
Energy: 0.6494720661252821
Energy: 0.6268298056186569
Energy: 0.6256250410141843
Energy: 0.6268298056219628
Energy: 0.5993293333451958
Energy: 0.6326430949889644
Energy: 0.6434173007076248
Energy: 0.6326430949889644
Energy: 0.599522756550012
Energy: 0.6269669258012299
Energy: 0.6393338020674993
Energy: 0.626966925783047
Energy: 0.6509609882086588
Energy: 0.6988335628033315
Energy: 0.6440754776026018
Energy: 0.698833562802505
Energy: 0.6493128338477439
Energy: 0.6979021288010604
Energy: 0.6427766047795717
Energy: 0.6979021288027133
Energy: 0.6517081806921091
Energy: 0.6283233375089605
Energy: 0.6435615009895724
Energy: 0.6283233375089605
Energy: 0.6358029082751483
Energy: 0.62943153799777
Energy: 0.7576172320509853
Energy: 0.6294315380085145
Energy: 0.6320997277705129
Energy: 0.6296407045403088
Energy: 0.6601283800382464
Energy: 0.6296407045394824
Energy: 0.6256920724063159
Energy: 0.6283254920656277
Energy: 0.6052226266269087
Energy: 0.628325492063148
Energy: 0.6278192079217108
Energy: 0.6417313597006448
Energy: 0.6018254126667597
Energy: 0.6417313597006448
Energy: 0.6380775188295644
Energy: 0.6607728419435405
Energy: 0.6505521313355935
Energy: 0.6607728419435405
Energy: 0.6530310531967283
Energy: 0.6279257698581171
Energy: 0.6306787704083529
Energy: 0.6279257698556376
Energy: 0.6455659917331129
Energy: 0.6263433873511877
Energy: 0.6265900856570629
Energy: 0.6263433873503612
Energy: 0.6065469256295446
Energy: 0.6271453677284881
Energy: 0.6282897884240763
Energy: 0.6271453677293145

minimum gb energy = 0.5993293333451958 eV
minimum distance =  2.59059658309293 Angstroms
sigma value = 17


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

Energy: 1.0206003629575031
Energy: 0.6141821390585891
Energy: 0.7293854851454712
Energy: 0.6141821390535271
Energy: 0.6491276412611666
Energy: 0.6244368194973638
Energy: 0.719955138579266
Energy: 0.6244368194958313
Energy: 0.7929583782025114
Energy: 0.7329283990499343
Energy: 0.7193113278543336
Energy: 0.732928399050445
Energy: 0.798256837199532
Energy: 0.6571369822333801
Energy: 0.7292124841963213
Energy: 0.657136982230826
Energy: 0.7154390481003294
Energy: 0.6098948284582497
Energy: 0.7230644942863822
Energy: 0.609894828454163
Energy: 0.6079504207106118
Energy: 0.6154673610663405
Energy: 0.7233435658073359
Energy: 0.6154673610668514
Energy: 0.6090033786389073
Energy: 0.6092158294059336
Energy: 0.672455145992603
Energy: 0.6092158294064444
Energy: 0.6158874206205175
Energy: 0.610392509853147
Energy: 0.617984354225429
Energy: 0.6103925098521252
Energy: 0.7000162786933571
Energy: 0.6110951377444307
Energy: 0.7866094429083116
Energy: 0.6110951377418765
Energy: 0.7245471319273452
Energy: 0.6602561387370869
Energy: 0.7154689464198095
Energy: 0.6602561374814878
Energy: 0.6959443218859723
Energy: 0.622276918459985
Energy: 0.6334503632725853
Energy: 0.6222769184584523
Energy: 0.7169613216698079
Energy: 0.6266117059284086
Energy: 0.7125248933148458
Energy: 0.6266117059181919
Energy: 0.721049622134384
Energy: 0.6224132768284073
Energy: 0.6421398004830261
Energy: 0.6224132768294292
Energy: 0.6503479386575329
Energy: 0.6227615735545315
Energy: 0.623968732249473
Energy: 0.6227615735514666
Energy: 0.795013269542215
Energy: 0.6249146783394736
Energy: 0.6298961769109332
Energy: 0.6249146783491795
Energy: 0.6138815209692793
Energy: 0.6226331170530901
Energy: 0.6623404028870504
Energy: 0.6226331170525793
Energy: 0.6457101142271322
Energy: 0.6269432832684948
Energy: 0.7157412712369099
Energy: 0.6269432830596541
Energy: 0.6266352319986607
Energy: 0.6238739975832669
Energy: 0.7115102929444092
Energy: 0.6238739975832669
Energy: 0.6426637551371612
Energy: 0.6249519951904358
Energy: 0.7385449395101179
Energy: 0.624951995189925
Energy: 0.6481612513045892
Energy: 0.7105165957584734
Energy: 0.6115369905891295
Energy: 0.7105165957523433
Energy: 0.720058847242019
Energy: 0.6237852221866885
Energy: 0.6447273051082414
Energy: 0.6237852221871993
Energy: 0.7189873432563437
Energy: 0.7333007539025529
Energy: 0.7924556729028321
Energy: 0.7333007539020419
Energy: 0.6727526796434509
Energy: 0.6553274916613355
Energy: 0.7963616161519264
Energy: 0.6553274916618465
Energy: 0.7233626805763503
Energy: 0.6093683187875842
Energy: 0.7066737698783049
Energy: 0.6093683187865625
Energy: 0.7184273246891608
Energy: 0.6112650883589564
Energy: 0.6164669627187245
Energy: 0.6112650883584456
Energy: 0.6703679939785906
Energy: 0.6099302150548753
Energy: 0.6117005990153819
Energy: 0.6099302150553861
Energy: 0.620625149302879
Energy: 0.6116324592020275
Energy: 0.6195346356730399
Energy: 0.6116324590861131
Energy: 0.737429102011054
Energy: 0.6105399439456597
Energy: 0.7128646122937713
Energy: 0.6105399439451487
Energy: 0.713438187176183
Energy: 0.7370120359200685
Energy: 0.7180543531114458
Energy: 0.737012035918025
Energy: 0.6347576313320391
Energy: 0.6231305648514915
Energy: 0.6944243301626125
Energy: 0.6231305648514915
Energy: 0.7110437797800865
Energy: 0.6291994478397799
Energy: 0.7184739469698113
Energy: 0.6291994478397799
Energy: 0.6382659421285575
Energy: 0.6363277778855279
Energy: 0.7197995828554388
Energy: 0.6363277778855279
Energy: 0.6221267705445315
Energy: 0.6228391876426002
Energy: 0.6360277293799499
Energy: 0.6228391876426002
Energy: 0.6297847837478343
Energy: 0.6251697045366127
Energy: 0.7968246298762345
Energy: 0.6251697045371234
Energy: 0.6565380874499976
Energy: 0.6426340648304123
Energy: 0.6116669638586467
Energy: 0.6426340648288799
Energy: 0.704649992406898
Energy: 0.6254263238913074
Energy: 0.6422921401844746
Energy: 0.6254263238882423
Energy: 0.6450017783468466
Energy: 0.6227581961642962
Energy: 0.623726410167332
Energy: 0.6227581961632744
Energy: 0.7935202997355457
Energy: 0.6274228961787682
Energy: 0.6429255497322878
Energy: 0.62742289617979

minimum gb energy = 0.6079504207106118 eV
minimum distance =  2.58943998092735 Angstroms
sigma value = 89


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

Energy: 1.0727323929472896
Energy: 0.5847858616280822
Energy: 0.5666096703279787
Energy: 0.5847858616267455
Energy: 0.5598987418988156
Energy: 0.6210078753488666
Energy: 0.5695962936204363
Energy: 0.6210078753488666
Energy: 0.5577548122389155
Energy: 0.6213233077589781
Energy: 0.580629510470565
Energy: 0.6213233077589781
Energy: 0.5590757607476088
Energy: 0.6231688287226971
Energy: 0.5658178221473164
Energy: 0.6231688287213604
Energy: 0.5651156557980095
Energy: 0.5642267058822367
Energy: 0.5731222697317355
Energy: 0.5642267058822367
Energy: 0.5648872661841513
Energy: 0.5690624606610594
Energy: 0.5726827341829435
Energy: 0.5690624606610594
Energy: 0.5650302308650834
Energy: 0.5632983124556765
Energy: 0.5663277266080623
Energy: 0.5632983124556765
Energy: 0.5672160343605366
Energy: 0.5671896176670437
Energy: 0.5587664589807592
Energy: 0.5671896176670437
Energy: 0.5677057914360358
Energy: 0.5668479356925401
Energy: 0.5627920026623888
Energy: 0.5668479356925401
Energy: 0.5826882840932732
Energy: 0.6238674656208962
Energy: 0.5798977058977026
Energy: 0.6238674656208962
Energy: 0.5659053885597407
Energy: 0.6227547150942345
Energy: 0.5565726321550352
Energy: 0.6227547150955711
Energy: 0.5731196444871055
Energy: 0.5672697939330716
Energy: 0.579607465454748
Energy: 0.5672697939330716
Energy: 0.5714429486091103
Energy: 0.565364248695177
Energy: 0.5657229913768926
Energy: 0.5653642486965136
Energy: 0.5659064612621061
Energy: 0.5627893974961848
Energy: 0.5636143642765061
Energy: 0.5627893974948484
Energy: 0.5572530900957844
Energy: 0.5649109604489883
Energy: 0.5680967262032649
Energy: 0.5649109604503247

minimum gb energy = 0.5565726321550352 eV
minimum distance =  2.61537692993052 Angstroms
sigma value = 13


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

Energy: 0.9462745539156049
Energy: 0.5472297660423333
Energy: 0.6855066549178553
Energy: 0.5472297660400924
Energy: 0.5530369181618977
Energy: 0.5423417126724945
Energy: 0.6384336418553493
Energy: 0.542341712670814
Energy: 0.5653671901919605
Energy: 0.5407790016636975
Energy: 0.6379754446189554
Energy: 0.5407790016625771
Energy: 0.7281495527052572
Energy: 0.5439844056785829
Energy: 0.6236220774631916
Energy: 0.543984405644409
Energy: 0.6252882926400564
Energy: 0.541813486111096
Energy: 0.7409626798409479
Energy: 0.5418134861077346
Energy: 0.6421725940634365
Energy: 0.5421439850891427
Energy: 0.7383179902302034
Energy: 0.5421439850902633
Energy: 0.6374305641694098
Energy: 0.5406607690837786
Energy: 0.736735183697376
Energy: 0.540660769082098
Energy: 0.6230787161202331
Energy: 0.5431480062208343
Energy: 0.6407815575885826
Energy: 0.5431480063513163
Energy: 0.5507669070406565
Energy: 0.5425463619279881
Energy: 0.6382592481988004
Energy: 0.5425463619240665
Energy: 0.5411754739693735
Energy: 0.5423989870130237
Energy: 0.6395046418314208
Energy: 0.5423989870124635
Energy: 0.5602510479197833
Energy: 0.5462140268292462
Energy: 0.9476113725129673
Energy: 0.5462140268202826
Energy: 0.6308709071341877
Energy: 0.5411465174738566
Energy: 0.6399544522603181
Energy: 0.5411465174783384
Energy: 0.7436454658099987
Energy: 0.5709378454924765
Energy: 0.6515709354339467
Energy: 0.5709378454874345
Energy: 0.6235090201932709
Energy: 0.5726403713819559
Energy: 0.7274463484978297
Energy: 0.5726403713841968
Energy: 0.6386604059289265
Energy: 0.5431342032756645
Energy: 0.7166516674713929
Energy: 0.5431342032734237
Energy: 0.6386505400421185
Energy: 0.5414475565433853
Energy: 0.5447591785249508
Energy: 0.5414475565355421
Energy: 0.7167011448428319
Energy: 0.5414223600790776
Energy: 0.543465022033359
Energy: 0.5414223600768366
Energy: 0.5521466828189396
Energy: 0.5436225039938497
Energy: 0.5493622451179688
Energy: 0.543622504048752
Energy: 0.7016662657281765
Energy: 0.5433688244426427
Energy: 0.6491429449162281
Energy: 0.5433688244448835
Energy: 0.7229087334255978
Energy: 0.5405168132918093
Energy: 0.638768796945173
Energy: 0.540516813313658
Energy: 0.7310802007506042
Energy: 0.5449020513709458
Energy: 0.6559887390690847
Energy: 0.5449020513726265
Energy: 0.6403437413956222
Energy: 0.5821123261158087
Energy: 0.6436981662897331
Energy: 0.5821123261158087
Energy: 0.6419180458146062
Energy: 0.5440351342370526
Energy: 0.6483488594985715
Energy: 0.5440351342336913
Energy: 0.5459414521374351
Energy: 0.5401353953821498
Energy: 0.6222399043805158
Energy: 0.540135395384951
Energy: 0.6213310354496279
Energy: 0.5411699442634843
Energy: 0.6388923280893309
Energy: 0.541169944274689
Energy: 0.5555021982708339
Energy: 0.551195939568002
Energy: 0.6367196326583328
Energy: 0.5511959395696826
Energy: 0.5410611956577455
Energy: 0.5413580128452606
Energy: 0.718839872399797
Energy: 0.5413580128430198
Energy: 0.5525325470579533
Energy: 0.5440328492432166
Energy: 0.5657406536973928
Energy: 0.544032849244337
Energy: 0.6348424359898943
Energy: 0.5427647947556842
Energy: 0.705681322853878
Energy: 0.5427647947579252
Energy: 0.6378206721166904
Energy: 0.5732216817880971
Energy: 0.735390494214223
Energy: 0.5732216817914584
Energy: 0.6243177274717668
Energy: 0.5760559676117765
Energy: 0.7323102272318434
Energy: 0.5760559676145777
Energy: 0.6372307213458921
Energy: 0.5430407706812092
Energy: 0.7159267509905621
Energy: 0.5430407706784081
Energy: 0.6388483361355184
Energy: 0.5432737403184241
Energy: 0.5480742161027273
Energy: 0.5432737403245866
Energy: 0.7380619556043365
Energy: 0.5409240583008029
Energy: 0.5411365046195048
Energy: 0.5409240582974416
Energy: 0.6919936762550892
Energy: 0.5417886592673664
Energy: 0.5445729482560421
Energy: 0.5417886592679267

minimum gb energy = 0.5401353953821498 eV
minimum distance =  2.60809237284166 Angstroms
sigma value = 37


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

Energy: 0.9146187365175491
Energy: 0.5264323204253334
Energy: 0.512017666201151
Energy: 0.5264323204262973
Energy: 0.7078941329437709
Energy: 0.5116955879462614
Energy: 0.651446374925525
Energy: 0.5116955879472251
Energy: 0.7216419132645971
Energy: 0.5708965884345736
Energy: 0.6519363197953533
Energy: 0.5708965884326458
Energy: 0.7219792087677439
Energy: 0.6311276693397864
Energy: 0.63423060806485
Energy: 0.631127669336895
Energy: 0.7765092104863185
Energy: 0.5002166996535813
Energy: 0.7177274642987376
Energy: 0.5002166996516537
Energy: 0.5794113202396423
Energy: 0.5003039023082796
Energy: 0.7325378543159403
Energy: 0.5003039023082796
Energy: 0.57625762345212
Energy: 0.4998461607085018
Energy: 0.7632539614260352
Energy: 0.4998461607094657
Energy: 0.674068486236113
Energy: 0.49306493976770327
Energy: 0.5836409336319958
Energy: 0.4930649397686671
Energy: 0.5728609511763456
Energy: 0.5024206533857543
Energy: 0.5847248946511122
Energy: 0.5024206533857543
Energy: 0.5660343746134645
Energy: 0.4913276604500583
Energy: 0.7629500157460369
Energy: 0.4913276604510222
Energy: 0.6077484307866301
Energy: 0.6089657505170364
Energy: 0.8153935430367709
Energy: 0.6089657505180003
Energy: 0.7021103534720091
Energy: 0.49156430650686805
Energy: 0.7630370723380135
Energy: 0.4915643065059043
Energy: 0.702477497026072
Energy: 0.5612388456385587
Energy: 0.7229311461417781
Energy: 0.5612388456385587
Energy: 0.7043848678949612
Energy: 0.5518009099287552
Energy: 0.7067968314265868
Energy: 0.5518009099277914
Energy: 0.7177274642977737
Energy: 0.5614698955268539
Energy: 0.7743578860665968
Energy: 0.5614698955268539
Energy: 0.7662640932505472
Energy: 0.5605906847509408
Energy: 0.5795582947704142
Energy: 0.5605906847490131
Energy: 0.7665991232158207
Energy: 0.560454187853867
Energy: 0.5762930066868227
Energy: 0.560454187853867
Energy: 0.5836522864204509
Energy: 0.5776621970357545
Energy: 0.4938203244206828
Energy: 0.5776621970347906
Energy: 0.5847248925961149
Energy: 0.5131600566628023
Energy: 0.5112053457822047
Energy: 0.5131600566637662
Energy: 0.7080058986079681
Energy: 0.5118943760066689
Energy: 0.5118384809733048
Energy: 0.5118943760076328

minimum gb energy = 0.4913276604500583 eV
minimum distance =  2.60039543319131 Angstroms
sigma value = 25


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

Energy: 0.9650926187450632
Energy: 0.4783859584581762
Energy: 0.4543833085282819
Energy: 0.4783859584581762
Energy: 0.8410258088973904
Energy: 0.4504423012323951
Energy: 0.5683898639700248
Energy: 0.4504423012316425
Energy: 0.8412592975867966
Energy: 0.44945188100615524
Energy: 0.5667945404117531
Energy: 0.44945188100464994
Energy: 0.6822628693817955
Energy: 0.4532093395851904
Energy: 0.5711321100913683
Energy: 0.45320933958293247
Energy: 0.7648223344709104
Energy: 0.49898776328297983
Energy: 0.7676746336187082
Energy: 0.4989877632814746
Energy: 0.6787291663013818
Energy: 0.4962478927853636
Energy: 0.7610196063328262
Energy: 0.4962478927853636
Energy: 0.6798936739663064
Energy: 0.49870824400181074
Energy: 0.6823851642962995
Energy: 0.49870824400331604
Energy: 0.6816553959389958
Energy: 0.45309838744067854
Energy: 0.7614289587650213
Energy: 0.45309838744067854
Energy: 0.5685668567652108
Energy: 0.44949931572563573
Energy: 0.8515459647146013
Energy: 0.44949931572638835
Energy: 0.5663138683153079
Energy: 0.4505374256892907
Energy: 0.8466372429517995
Energy: 0.45053742569004335
Energy: 0.4512527976984193
Energy: 0.45282593176459474
Energy: 0.8240127012527244
Energy: 0.45282593176308944
Energy: 0.45338444976629416
Energy: 0.4505492148279322
Energy: 0.8470734473436169
Energy: 0.4505492148271796
Energy: 0.45153659193216533
Energy: 0.45217120743821065
Energy: 0.8404402299697432
Energy: 0.4521712074389632
Energy: 0.5663185488758934
Energy: 0.4539540787985036
Energy: 0.8397079653112162
Energy: 0.4539540788000089
Energy: 0.5663667310271351
Energy: 0.44946299058919853
Energy: 0.8444347604571484
Energy: 0.44946299058919853
Energy: 0.569713551789088
Energy: 0.45044754116744995
Energy: 0.8454057056689848
Energy: 0.45044754116744995
Energy: 0.6829419661733394
Energy: 0.45134714742760296
Energy: 0.8399933442097821
Energy: 0.45134714742685034
Energy: 0.5663502113853474
Energy: 0.5001274828669632
Energy: 0.7627264555820127
Energy: 0.5001274828662106
Energy: 0.7576322251984833
Energy: 0.49682680565726345
Energy: 0.6790066870017907
Energy: 0.4968268056565108
Energy: 0.848224415199298
Energy: 0.4968927210608122
Energy: 0.6782108702578202
Energy: 0.49689272105930693
Energy: 0.8264011857778801
Energy: 0.4550056623518373
Energy: 0.5661699940843993
Energy: 0.45500566235108464
Energy: 0.8476316054918283
Energy: 0.44934686553195713
Energy: 0.44968849614809786
Energy: 0.4493468655304861
Energy: 0.7572501943917939
Energy: 0.45129599676665993
Energy: 0.5684537237566055
Energy: 0.4512959967674126
Energy: 0.7661763529234232
Energy: 0.45407893977411884
Energy: 0.4551169597279605
Energy: 0.4540789397733662
Energy: 0.8440602957915795
Energy: 0.44981237546286823
Energy: 0.44996697548416315
Energy: 0.4498123754636208
Energy: 0.8430484821098132
Energy: 0.45154777589737677
Energy: 0.45471242345691687
Energy: 0.4515477758958715

minimum gb energy = 0.4493468655304861 eV
minimum distance =  2.61925782922893 Angstroms
sigma value = 41


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

Energy: 1.0593546109748062
Energy: 0.4394074135945542
Energy: 0.4200690156284577
Energy: 0.4394074135945542
Energy: 0.8978375670560341
Energy: 0.41552764962079713
Energy: 0.5134271425192779
Energy: 0.41552764962203126
Energy: 0.891613443010416
Energy: 0.4146787728407722
Energy: 0.5126803328698973
Energy: 0.4146787728407722
Energy: 0.7620935397647554
Energy: 0.41857872872582913
Energy: 0.6833561425086887
Energy: 0.4185787287289144
Energy: 0.8267869479035106
Energy: 0.4133009821360211
Energy: 0.681080119080109
Energy: 0.4133009821354041
Energy: 0.7563708417606153
Energy: 0.5454834060464042
Energy: 0.6837547663860242
Energy: 0.5454834060464042
Energy: 0.7563194758333894
Energy: 0.4548840337954396
Energy: 0.7569863287951144
Energy: 0.45488403379482256
Energy: 0.7555226584620948
Energy: 0.45950164084767386
Energy: 0.684057112870828
Energy: 0.45950164084643974
Energy: 0.6040762120656733
Energy: 0.5455850791796164
Energy: 0.8211689088756984
Energy: 0.5455850791789993
Energy: 0.605452090498579
Energy: 0.41347699848547353
Energy: 0.8978886319701279
Energy: 0.4134769984860906
Energy: 0.511161574538359
Energy: 0.4193437995467168
Energy: 0.8184300683206265
Energy: 0.41934379954548273
Energy: 0.5094672738633094
Energy: 0.41335464994114374
Energy: 0.8945147951017465
Energy: 0.41335464993929266
Energy: 0.5141286913358075
Energy: 0.4168405671806533
Energy: 0.8944129971087323
Energy: 0.4168405671806533
Energy: 0.4231059656740429
Energy: 0.41848837675049594
Energy: 0.8176131442469474
Energy: 0.41848837675173
Energy: 0.41461794368217575
Energy: 0.41436025294561435
Energy: 0.8901522760600759
Energy: 0.4143602529449973
Energy: 0.4196437987069406
Energy: 0.41613021174662745
Energy: 0.8938244633545226
Energy: 0.4161302117614365
Energy: 0.5157293723489428
Energy: 0.41705980346028043
Energy: 0.8983133484255655
Energy: 0.41705980346151456
Energy: 0.5092504895670672
Energy: 0.41394152811866813
Energy: 0.8892378683469091
Energy: 0.41394153225470554
Energy: 0.5195205080292165
Energy: 0.4175663514871136
Energy: 0.7589398009339484
Energy: 0.4175663514871136
Energy: 0.6782932293693001
Energy: 0.41482550998296647
Energy: 0.7572517525753493
Energy: 0.41482550999527923
Energy: 0.6860181690188373
Energy: 0.4174809473302063
Energy: 0.8200919340366132
Energy: 0.4174809473302063
Energy: 0.6776866911380981
Energy: 0.45297553490970927
Energy: 0.7574509262627331
Energy: 0.4529755349103263
Energy: 0.8224181648600863
Energy: 0.45205548930697936
Energy: 0.7502023793553096
Energy: 0.4520554893075964
Energy: 0.6834448997161963
Energy: 0.5479470606567615
Energy: 0.6791617384262073
Energy: 0.5479470606573786
Energy: 0.8207320920118825
Energy: 0.41631308322322397
Energy: 0.601088428596087
Energy: 0.41631308322260696
Energy: 0.8230813792590058
Energy: 0.4145365331401251
Energy: 0.6768096313727703
Energy: 0.414536533138891
Energy: 0.8263095409512639
Energy: 0.41677926091009104
Energy: 0.516875331440989
Energy: 0.41677926085828754
Energy: 0.8916434975086385
Energy: 0.41344117536888386
Energy: 0.5085782295368511
Energy: 0.4134411753620964
Energy: 0.8280767075877107
Energy: 0.4186252827605876
Energy: 0.5154787833563302
Energy: 0.41862528276120464
Energy: 0.8222896717323298
Energy: 0.4176474798161742
Energy: 0.4195517242925365
Energy: 0.41764747981555717
Energy: 0.8922158047853334
Energy: 0.41538179880312465
Energy: 0.4143874654538557
Energy: 0.41538179880250764
Energy: 0.8852924242249438
Energy: 0.41838898412415804
Energy: 0.414902324393095
Energy: 0.41838898412415804

minimum gb energy = 0.4133009821354041 eV
minimum distance =  2.61314148205979 Angstroms
sigma value = 15


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

Energy: 0.9091852902791423
Energy: 0.4081113166596609
Energy: 0.5813260841335129
Energy: 0.4081113166601836
Energy: 0.9283570396358678
Energy: 0.38706100025223494
Energy: 0.4717798291256183
Energy: 0.3870610002579849
Energy: 0.9254489599173767
Energy: 0.3865487895804635
Energy: 0.4699271110989225
Energy: 0.38654878958150896
Energy: 0.8118392255430892
Energy: 0.39057167754183586
Energy: 0.6244501741627324
Energy: 0.39057167753713135
Energy: 0.8683077075615294
Energy: 0.3850125644436528
Energy: 0.6180839153733066
Energy: 0.38501256444313003
Energy: 0.805176723563388
Energy: 0.3925339310401183
Energy: 0.61854503431517
Energy: 0.3925339309654166
Energy: 0.6852149030902357
Energy: 0.3872144866197524
Energy: 0.7426377947624366
Energy: 0.38721448660202734
Energy: 0.7484847280295734
Energy: 0.42347752339636
Energy: 0.6153470471442104
Energy: 0.42347752345903916
Energy: 0.6838537792529615
Energy: 0.6093697322513008
Energy: 0.7412068101811646
Energy: 0.6093697322502555
Energy: 0.6824471542203681
Energy: 0.5100144985671888
Energy: 0.8648010747130916
Energy: 0.510014498565098
Energy: 0.620929872916262
Energy: 0.3971907272720254
Energy: 0.754497041545306
Energy: 0.39719072727307086
Energy: 0.5436564668475768
Energy: 0.3907030488907685
Energy: 0.861610064827215
Energy: 0.39070304890017754
Energy: 0.6171148750854942
Energy: 0.38546812857782836
Energy: 0.8635519012462974
Energy: 0.3854681285809647
Energy: 0.4798709938102414
Energy: 0.39020226980720574
Energy: 0.7491711506942136
Energy: 0.39020226980877387
Energy: 0.46460807406333987
Energy: 0.3856867101846397
Energy: 0.9231996085026835
Energy: 0.3856867101851624
Energy: 0.47519269645441947
Energy: 0.388659521413188
Energy: 0.8659171223746394
Energy: 0.38865952141527893
Energy: 0.3954708232199731
Energy: 0.3904380199843867
Energy: 0.8713245520886487
Energy: 0.39043801998543215
Energy: 0.3868383190618048
Energy: 0.3857793076631423
Energy: 0.9228174646235674
Energy: 0.38577930766575586
Energy: 0.3953234810877219
Energy: 0.38879976287479884
Energy: 0.8114373968574671
Energy: 0.3887997628742761
Energy: 0.47060792327601364
Energy: 0.388606198610994
Energy: 0.9286634609749062
Energy: 0.3886061986115167
Energy: 0.4633359243161306
Energy: 0.385709417351903
Energy: 0.9228509856712558
Energy: 0.3857094173571302
Energy: 0.47667693378763903
Energy: 0.3902260755323672
Energy: 0.8108250030373092
Energy: 0.39022607553602623
Energy: 0.6137267442796682
Energy: 0.38672932249567993
Energy: 0.8064153828448009
Energy: 0.38672932249411174
Energy: 0.6172905516840068
Energy: 0.3913186660868602
Energy: 0.8624448696760236
Energy: 0.39131866608738297
Energy: 0.6197423347250481
Energy: 0.39620640874857777
Energy: 0.7140738779570414
Energy: 0.39620640665445883
Energy: 0.7435066327271402
Energy: 0.5092268755718032
Energy: 0.8665937138709833
Energy: 0.509226875572326
Energy: 0.6159034307670256
Energy: 0.41818623933665955
Energy: 0.7405714403440911
Energy: 0.4181862393335232
Energy: 0.7472315589503515
Energy: 0.42185506439508974
Energy: 0.6905071754540013
Energy: 0.4218550644029305
Energy: 0.7458844989816833
Energy: 0.3865874522665681
Energy: 0.7421612853483732
Energy: 0.38658745231779484
Energy: 0.7461834759562047
Energy: 0.3917355720555253
Energy: 0.616362796614931
Energy: 0.39173557205604803
Energy: 0.8663147649240184
Energy: 0.3848644382532193
Energy: 0.5445353538187973
Energy: 0.384864438285628
Energy: 0.7519992000437797
Energy: 0.3901991297484376
Energy: 0.6225157284296177
Energy: 0.39019912975000587
Energy: 0.86460071408462
Energy: 0.38942957150317004
Energy: 0.4727498720552346
Energy: 0.38942957150160185
Energy: 0.9257770466230189
Energy: 0.3868103696773043
Energy: 0.4685565685832276
Energy: 0.3868103696757361
Energy: 0.8745201144779446
Energy: 0.3908856860678871
Energy: 0.40103604916644353
Energy: 0.3908856860637053
Energy: 0.9252455624836785
Energy: 0.3876776242245757
Energy: 0.390367421737577
Energy: 0.38767762422614394
Energy: 0.922674523291242
Energy: 0.3872210359680525
Energy: 0.39101720403475193
Energy: 0.387221035969098

minimum gb energy = 0.3848644382532193 eV
minimum distance =  2.61681812750715 Angstroms
sigma value = 85


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

Energy: 0.9648345642034458
Energy: 0.36548824429704496
Energy: 0.3491688875244817
Energy: 0.36548824426349646
Energy: 0.9379165675076804
Energy: 0.3500762540533164
Energy: 0.42398007575345736
Energy: 0.35007625405376974
Energy: 0.826984063364313
Energy: 0.3498184347977654
Energy: 0.4235477724396591
Energy: 0.3498184347977654
Energy: 0.7191263434513965
Energy: 0.3520921651750287
Energy: 0.551232751255813
Energy: 0.35209216517140185
Energy: 0.8855418408819599
Energy: 0.3485696540513836
Energy: 0.5517870878034766
Energy: 0.3485696540513836
Energy: 0.7218269234591264
Energy: 0.3491273242659558
Energy: 0.555158141166705
Energy: 0.34912732426912924
Energy: 0.7180121557254805
Energy: 0.350395494074225
Energy: 0.6693240730312431
Energy: 0.35039549407467835
Energy: 0.779579951047138
Energy: 0.3494005152798169
Energy: 0.5486968722614918
Energy: 0.34940051530835786
Energy: 0.7232110388856815
Energy: 0.34949669618148227
Energy: 0.6658162718908248
Energy: 0.3494966961878087
Energy: 0.7222890952213789
Energy: 0.5591360927539795
Energy: 0.7731391728132432
Energy: 0.5591360927539795
Energy: 0.6722694372280149
Energy: 0.349196550989832
Energy: 0.7122345409421246
Energy: 0.3491965509635579
Energy: 0.6137175607413786
Energy: 0.34948179530431617
Energy: 0.7736227363936574
Energy: 0.34948179529479567
Energy: 0.6659348946151049
Energy: 0.34906721197783935
Energy: 0.7736804202550127
Energy: 0.3490672119787461
Energy: 0.5536254958826562
Energy: 0.3510403444339854
Energy: 0.6728458070693824
Energy: 0.3510403444339854
Energy: 0.48189317492236067
Energy: 0.35041556584424277
Energy: 0.8793494100956355
Energy: 0.35041556584424277
Energy: 0.5525292862769556
Energy: 0.34966185052025534
Energy: 0.774166339368998
Energy: 0.34966185052025534
Energy: 0.4218551773950886
Energy: 0.3511388996447608
Energy: 0.7720470593881152
Energy: 0.35113889964385403
Energy: 0.4161788728652134
Energy: 0.3488742774401422
Energy: 0.9327817283108992
Energy: 0.3488742774396889
Energy: 0.42000566199320244
Energy: 0.34882671742855104
Energy: 0.8774468139223595
Energy: 0.3488267174290044
Energy: 0.34907180317812997
Energy: 0.3532476898481201
Energy: 0.8774313606444322
Energy: 0.3532476898476667
Energy: 0.34960368018429333
Energy: 0.34898852651047185
Energy: 0.9331982305388501
Energy: 0.34898852651092516
Energy: 0.3489441900093837
Energy: 0.34904704827552757
Energy: 0.8251386352026425
Energy: 0.34904704827462085
Energy: 0.4241832280774243
Energy: 0.351584846974384
Energy: 0.9289803294160185
Energy: 0.35158484697393066
Energy: 0.41815564921463316
Energy: 0.3487644335376621
Energy: 0.9356108233705744
Energy: 0.3487644335376621
Energy: 0.4199422728199848
Energy: 0.3521340714742545
Energy: 0.7198397674293223
Energy: 0.35213407147153436
Energy: 0.5546018662214375
Energy: 0.34906810438815117
Energy: 0.9329751469032005
Energy: 0.3490681043876978
Energy: 0.5517425474128496
Energy: 0.35055691131819383
Energy: 0.8271756921912394
Energy: 0.3505569113485483
Energy: 0.6228504947744752
Energy: 0.35230188808713825
Energy: 0.7178607200972005
Energy: 0.3523018880567839
Energy: 0.6689474097103244
Energy: 0.3501253144819431
Energy: 0.8322239427264835
Energy: 0.35012531447151585
Energy: 0.6666834163739077
Energy: 0.5574792516801477
Energy: 0.7197500149709535
Energy: 0.5574792516796944
Energy: 0.7747626392173672
Energy: 0.4048701577300696
Energy: 0.6124170303848242
Energy: 0.40487015773505663
Energy: 0.664912414044296
Energy: 0.4042000674018884
Energy: 0.7270545351709173
Energy: 0.4042000674041552
Energy: 0.7748515197986924
Energy: 0.5575119889541614
Energy: 0.6102989442470258
Energy: 0.5575119889541614
Energy: 0.8322301373747725
Energy: 0.34910947670424913
Energy: 0.6108301923473791
Energy: 0.34910947670379583
Energy: 0.6639330419462438
Energy: 0.35228631351739415
Energy: 0.5526528146363072
Energy: 0.3522863137004682
Energy: 0.8813003382438296
Energy: 0.34923803682249854
Energy: 0.5511139295401523
Energy: 0.34923803685695376
Energy: 0.8807438441164045
Energy: 0.34910311902888425
Energy: 0.5535960053497886
Energy: 0.3491031190279776
Energy: 0.7723041890774712
Energy: 0.353140497382051
Energy: 0.42349459640651677
Energy: 0.3531404974803884
Energy: 0.9347835756997305
Energy: 0.34865604950465245
Energy: 0.417754380702662
Energy: 0.3486560495051058
Energy: 0.8773539403914378
Energy: 0.3526106413861539
Energy: 0.4218802132510009
Energy: 0.3526106413861539
Energy: 0.7735110064682293
Energy: 0.35247330044178976
Energy: 0.3496125175466397
Energy: 0.3524733004422431
Energy: 0.933077299661302
Energy: 0.34878422701712486
Energy: 0.34915339187824335
Energy: 0.3487842270175782
Energy: 0.8253641451364567
Energy: 0.3527097781215908
Energy: 0.34898282204593495
Energy: 0.3527097781202514

minimum gb energy = 0.3485696540513836 eV
minimum distance =  2.62334130458017 Angstroms
sigma value = 113


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

Energy: 0.013475824383111651
Energy: 0.014620298849728373
Energy: 0.7012882905767581
Energy: 0.01462029885007689
Energy: 0.0150598785619143
Energy: 0.08097841139559356
Energy: 0.4831976773843554
Energy: 0.08097841139456738
Energy: 0.01403715971284994
Energy: 0.07973717395751224
Energy: 0.48192155527909886
Energy: 0.07973717395718309
Energy: 0.014841807574669456
Energy: 0.08154479936542697
Energy: 0.4868825792580795
Energy: 0.08154479936542697
Energy: 0.4853715102478942
Energy: 0.0810894600907775
Energy: 0.4854200968084852
Energy: 0.08108946009009982
Energy: 0.013895493965898668
Energy: 0.0795154338543945
Energy: 0.48185212702661684
Energy: 0.0795154338543945

minimum gb energy = 0.013475824383111651 eV
minimum distance =  2.84782263985991 Angstroms
sigma value = 1