Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_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=4.049985826015473
cohesive_energy=3.3534000657025747
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: 0.010336387061566569
Energy: 0.010931176751780151
Energy: 0.2709889882593846
Energy: 0.010931176751780151
Energy: 0.010931176751780151
Energy: 0.42007768819430685
Energy: 0.01093117675128043
Energy: 0.42007768819430685
Energy: 0.27098898825988427
Energy: 0.010931176751780151
Energy: 0.010336387061566569
Energy: 0.010931176751780151
Energy: 0.010931176751780151
Energy: 0.42007768819430685
Energy: 0.010931176751780151
Energy: 0.42007768819430685

minimum gb energy = 0.010336387061566569 eV
minimum distance =  2.7334822935132 Angstroms
sigma value = 1


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

Energy: 0.6443994256391098
Energy: 0.5855116706280322
Energy: 0.6124200000010439
Energy: 0.5855116706280322
Energy: 0.6299544821941045
Energy: 0.5837905734178842
Energy: 0.5689449638330759
Energy: 0.5837905730404788
Energy: 0.5340678293307798
Energy: 0.5731251058202301
Energy: 0.6033581686138563
Energy: 0.5731251058202301
Energy: 0.5565518028676383
Energy: 0.6197725337072837
Energy: 0.6207811658745619
Energy: 0.6197725337018292
Energy: 0.563301045240122
Energy: 0.5961679930018277
Energy: 0.5780381612740331
Energy: 0.5961679929897067
Energy: 0.59191576029279
Energy: 0.6537859787870727
Energy: 0.5532673829718447
Energy: 0.6537859787870727
Energy: 0.5712176048896463
Energy: 0.633734782647323
Energy: 0.5240095716451495
Energy: 0.633734782647323
Energy: 0.5653306751732279
Energy: 0.5846916363541425
Energy: 0.5459473100534568
Energy: 0.5846916363541425
Energy: 0.5376181864362728
Energy: 0.7480874681873483
Energy: 0.6468729197808527
Energy: 0.74808746818553
Energy: 0.5535335840942743
Energy: 0.5701947038121762
Energy: 0.5093279444141826
Energy: 0.5701947038121762
Energy: 0.6371025147039027
Energy: 0.6203789053640285
Energy: 0.5371658504120799
Energy: 0.6203789050611399
Energy: 0.5653040305688032
Energy: 0.5910050130783767
Energy: 0.5578080850774351
Energy: 0.5910050130480741
Energy: 0.5585452911510239
Energy: 0.6270912718190772
Energy: 0.5769217858514384
Energy: 0.6270912718196833
Energy: 0.6220124578172501
Energy: 0.5951407916583418
Energy: 0.5434637899811925
Energy: 0.5951407916589478
Energy: 0.5740184185610961
Energy: 0.5887498591973221
Energy: 0.68122064935755
Energy: 0.5887498591985342
Energy: 0.5541509225457786
Energy: 0.6050927177572945
Energy: 0.5658521152339294
Energy: 0.6050927177572945
Energy: 0.5747680098145536
Energy: 0.5727892102249826
Energy: 0.5316295835653134
Energy: 0.5727892102249826
Energy: 0.6044240987165164
Energy: 0.6165382018018769
Energy: 0.6703947295261102
Energy: 0.6165382018030888
Energy: 0.5265062004364846
Energy: 0.5997898501331733
Energy: 0.5581185452277593
Energy: 0.5997898501337795
Energy: 0.624089459090416
Energy: 0.7154544076030196
Energy: 0.5379949240839685
Energy: 0.7154544076030196
Energy: 0.5575926309245413
Energy: 0.5704517391597984
Energy: 0.5075055150174886
Energy: 0.5704517391597984
Energy: 0.538404984877323
Energy: 0.674198763744623
Energy: 0.6498220310549976
Energy: 0.674198763744623
Energy: 0.605965408112729
Energy: 0.5826253125945988
Energy: 0.5221533713898903
Energy: 0.5826253125364453
Energy: 0.5928138951245197
Energy: 0.5904463184365857
Energy: 0.5277052714959293
Energy: 0.5904463184396159
Energy: 0.585927495008574
Energy: 0.6630957510077314
Energy: 0.6138625974155801
Energy: 0.6630957510077314
Energy: 0.5514657525020363
Energy: 0.5833794335973536
Energy: 0.5407081970821035
Energy: 0.5833794335997778
Energy: 0.5529436021249213
Energy: 0.6898353079811362
Energy: 0.5990093659246428
Energy: 0.6898353079817423
Energy: 0.5354523104291937
Energy: 0.566692275115767
Energy: 0.5928933212231776
Energy: 0.566692275115767
Energy: 0.5572949213864495
Energy: 0.5855351273448149
Energy: 0.5971426470621802
Energy: 0.5855351273484513
Energy: 0.5987258293494617
Energy: 0.5789503305568414
Energy: 0.5842387744158151
Energy: 0.5789503305580536
Energy: 0.6243815140786818
Energy: 0.6145785796822524
Energy: 0.597920638666518
Energy: 0.6145785796822524
Energy: 0.566109823970819
Energy: 0.5787706449265815
Energy: 0.6175808400175129
Energy: 0.5787706449265815
Energy: 0.5554615495202766
Energy: 0.6424496750845216
Energy: 0.5410294443662412
Energy: 0.6424496750845216

minimum gb energy = 0.5075055150174886 eV
minimum distance =  2.54967295071931 Angstroms
sigma value = 1


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

Energy: 0.6227673886778251
Energy: 0.6185222683557541
Energy: 0.6543662086397527
Energy: 0.6185222681471643
Energy: 0.5688136273211691
Energy: 0.6109628350113119
Energy: 0.6364071307004099
Energy: 0.6109628351943659
Energy: 0.5644191492539367
Energy: 0.6136974763347877
Energy: 0.663125715244366
Energy: 0.6136974762601903
Energy: 0.5952129381952931
Energy: 0.6426177805535147
Energy: 0.545575803781899
Energy: 0.642620606778792
Energy: 0.6239557870487719
Energy: 0.6177955797595295
Energy: 0.6335189106526598
Energy: 0.6177955797595295
Energy: 0.5999193499441293
Energy: 0.6163770489000361
Energy: 0.5784545268069273
Energy: 0.616377048898654
Energy: 0.6906028211801702
Energy: 0.671088336581904
Energy: 0.5450429091692647
Energy: 0.6710883434343332
Energy: 0.5334047313166258
Energy: 0.6216546088116025
Energy: 0.5780188684989312
Energy: 0.6216546088116025
Energy: 0.5487889177952399
Energy: 0.7066505317942087
Energy: 0.7042106641800906
Energy: 0.7066505321602851
Energy: 0.5860544462057538
Energy: 0.6180681567639813
Energy: 0.5470628571806615
Energy: 0.6180681567625994
Energy: 0.6482525453925533
Energy: 0.637729975156497
Energy: 0.629934129162546
Energy: 0.637729975156497
Energy: 0.5464516858973819
Energy: 0.6281159134648125
Energy: 0.6558783893909378
Energy: 0.6281159134641215
Energy: 0.5936843728889073
Energy: 0.624036464538891
Energy: 0.5745846181554894
Energy: 0.624036464536818
Energy: 0.602901963707828
Energy: 0.6279495678925572
Energy: 0.5749726625502702
Energy: 0.6279495678932482
Energy: 0.5435700340914107
Energy: 0.6280004065893017
Energy: 0.656601633986267
Energy: 0.6280004065893017
Energy: 0.6567529905053286
Energy: 0.6354532194769871
Energy: 0.6308658381656371
Energy: 0.635453219476296
Energy: 0.585031922444862
Energy: 0.6110433222526928
Energy: 0.5569665708252114
Energy: 0.6110433220157716
Energy: 0.5496064844305449
Energy: 0.7137986648019425
Energy: 0.7009489490792299
Energy: 0.7137986647736426
Energy: 0.5329576657955212
Energy: 0.6170574634045304
Energy: 0.5799607593955473
Energy: 0.6170574634045304
Energy: 0.6924672210035657
Energy: 0.6822430506463728
Energy: 0.5457186499268054
Energy: 0.6822430506470637
Energy: 0.6366842675872857
Energy: 0.6079086263794843
Energy: 0.5787279971190091
Energy: 0.6079086263808664
Energy: 0.6268004756809387
Energy: 0.6160751236174452
Energy: 0.6323677634835664
Energy: 0.6160751236181361
Energy: 0.6320956203061835
Energy: 0.6549653437144326
Energy: 0.6463603483416142
Energy: 0.6549653437151236
Energy: 0.5652495202332484
Energy: 0.619442014124808
Energy: 0.6173140058964638
Energy: 0.619442014124117
Energy: 0.5688259384979513
Energy: 0.6294343314810421
Energy: 0.6358269961449464
Energy: 0.6294343314789691
Energy: 0.6227673886494938
Energy: 0.6185222679841496
Energy: 0.6490737649101067
Energy: 0.6185222680110989
Energy: 0.5688136273239333
Energy: 0.6109628351833097
Energy: 0.6364071307004099
Energy: 0.6109628349781749
Energy: 0.5644191492532457
Energy: 0.6136974763258046
Energy: 0.663125715244366
Energy: 0.6136974764004018
Energy: 0.5952129392548259
Energy: 0.6405900613935404
Energy: 0.6782684362234607
Energy: 0.6322488238685566

minimum gb energy = 0.5329576657955212 eV
minimum distance =  2.52806055664941 Angstroms
sigma value = 25


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

Energy: 0.6237967128689378
Energy: 0.6398455930218019
Energy: 0.7041713424600836
Energy: 0.6398455930218019
Energy: 0.6113140635091245
Energy: 0.6837523830374118
Energy: 0.6321221950061225
Energy: 0.6837523830382151
Energy: 0.599266823225427
Energy: 0.6526372843259436
Energy: 0.635786966358083
Energy: 0.6526372843251403
Energy: 0.5861380382855997
Energy: 0.6734396906921144
Energy: 0.5665814252972963
Energy: 0.6734396907073767
Energy: 0.5683780672816586
Energy: 0.6635931197041419
Energy: 0.5797332026782545
Energy: 0.6635931197041419
Energy: 0.6947818001429648
Energy: 0.6613022525474326
Energy: 0.6909595168948794
Energy: 0.6613022525474326
Energy: 0.7492063620019219
Energy: 0.7137279744168666
Energy: 0.5682185587605906
Energy: 0.7137279744168666
Energy: 0.6780247918496001
Energy: 0.6443669272590544
Energy: 0.5598635294085174
Energy: 0.6443669272590544
Energy: 0.6976473329550779
Energy: 0.6629324977131142
Energy: 0.6992210348053643
Energy: 0.6629324977139174
Energy: 0.6286509880461694
Energy: 0.647525507825418
Energy: 0.5796805953988857
Energy: 0.6475255078205981
Energy: 0.6093628427217462
Energy: 0.6789715079971261
Energy: 0.6118768071227084
Energy: 0.6789715079971261
Energy: 0.6042738326919218
Energy: 0.6631909526305503
Energy: 0.5881885511036696
Energy: 0.6631909526297469
Energy: 0.6297328164598203
Energy: 0.6747250529895524
Energy: 0.5683438472295897
Energy: 0.6747250529887492
Energy: 0.7291641240978711
Energy: 0.6845829878376176
Energy: 0.7730614069583577
Energy: 0.6845829878376176
Energy: 0.5849814180366976
Energy: 0.6539645123519929
Energy: 0.5631715532516943
Energy: 0.6539645123519929
Energy: 0.753501245963051
Energy: 0.7343922988455185
Energy: 0.5689648753699206
Energy: 0.7343922948011924
Energy: 0.5669621984659068
Energy: 0.6583024086562296
Energy: 0.5600244776332374
Energy: 0.6583024070287136
Energy: 0.5653814576307566
Energy: 0.6508094639196429
Energy: 0.6018799737010846
Energy: 0.6508094639124136
Energy: 0.6053250694294078
Energy: 0.6909804943044445
Energy: 0.5860516780171463
Energy: 0.6909804943044445
Energy: 0.6392049643693432
Energy: 0.6573795977879842
Energy: 0.6247539935081448
Energy: 0.6573795978080478
Energy: 0.5811067007534758
Energy: 0.6745531083131764
Energy: 0.6367031788120774
Energy: 0.6745531082770472
Energy: 0.6218803295691429
Energy: 0.6358431196600642
Energy: 0.637039781484131
Energy: 0.6358431196600642
Energy: 0.6609951902791935
Energy: 0.6393404842477158
Energy: 0.675905865638128
Energy: 0.639338070756844
Energy: 0.5973835570200201
Energy: 0.6564453880482652
Energy: 0.6221355482121204
Energy: 0.6564453880498717
Energy: 0.7202179393367079
Energy: 0.7537607610026693
Energy: 0.5654664563937263
Energy: 0.7537607610034727

minimum gb energy = 0.5598635294085174 eV
minimum distance =  2.56688099470294 Angstroms
sigma value = 9


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

Energy: 0.6632122398122583
Energy: 0.7162979041392874
Energy: 0.7593774898343717
Energy: 0.7162979041402455
Energy: 0.7770313458425523
Energy: 0.7056618181825065
Energy: 0.5886586224559499
Energy: 0.7056618181825065
Energy: 0.6246990960966496
Energy: 0.6905053916424905
Energy: 0.6093235379384476
Energy: 0.6905053916434486
Energy: 0.7133317605620245
Energy: 0.7116763978612346
Energy: 0.6009756391044775
Energy: 0.7116763978612346
Energy: 0.6610529075320589
Energy: 0.6670619571486234
Energy: 0.7293942159530286
Energy: 0.6670619567817647
Energy: 0.6048339105748592
Energy: 0.7015839930341178
Energy: 0.6574210442365124
Energy: 0.7015839930341178
Energy: 0.80767420981444
Energy: 0.7526964915962039
Energy: 0.5809580278635037
Energy: 0.7526964915952455
Energy: 0.6343621308913686
Energy: 0.7018681341760353
Energy: 0.6073368829138376
Energy: 0.7018681341760353
Energy: 0.6478131166080876
Energy: 0.6517272844563835
Energy: 0.676102611633544
Energy: 0.6517272844573416
Energy: 0.621459407802108
Energy: 0.7147590500463397
Energy: 0.630939016942947
Energy: 0.7147590500463397
Energy: 0.6036753487857167
Energy: 0.7087568617460595
Energy: 0.6074028881498265
Energy: 0.708756861745101
Energy: 0.7243197015860866
Energy: 0.6868639474546235
Energy: 0.6013211233339103
Energy: 0.6868639474546235
Energy: 0.6056571130972291
Energy: 0.6902314410151229
Energy: 0.6129146335371246
Energy: 0.690231434094811
Energy: 0.8192629990050956
Energy: 0.6749458899774968
Energy: 0.6100065739161397
Energy: 0.6749458899784552
Energy: 0.6032577940569959
Energy: 0.7070956057880454
Energy: 0.6143574943783486
Energy: 0.7070956057870872
Energy: 0.7491847897095069
Energy: 0.683930763010653
Energy: 0.5844917872794544
Energy: 0.6839307629713866
Energy: 0.6424091062847112
Energy: 0.7017474015371277
Energy: 0.6374742537564708
Energy: 0.7017474015371277
Energy: 0.6506016057781758
Energy: 0.7071569309945906
Energy: 0.6846186793642813
Energy: 0.7071569309955489
Energy: 0.6881033054764981
Energy: 0.6616814114113208
Energy: 0.66764415085485
Energy: 0.6616814113586386
Energy: 0.671340483221479
Energy: 0.6950897113726351
Energy: 0.5993602137672022
Energy: 0.6950897113726351
Energy: 0.70348786512332
Energy: 0.6858025356171443
Energy: 0.6029642069120101
Energy: 0.6858025340549295

minimum gb energy = 0.5809580278635037 eV
minimum distance =  2.55339857857047 Angstroms
sigma value = 25


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

Energy: 0.5857396230255598
Energy: 0.7194363581295229
Energy: 0.8224158112213777
Energy: 0.7194363581295229
Energy: 0.584131806526255
Energy: 0.7276260697979962
Energy: 0.626218206095457
Energy: 0.7276260697991812
Energy: 0.7796154134419041
Energy: 0.7197034076291682
Energy: 0.6115421971609387
Energy: 0.7197034075983565
Energy: 0.786688359754936
Energy: 0.7184862889233901
Energy: 0.679554029686826
Energy: 0.7184862889233901
Energy: 0.6834551422130419
Energy: 0.7005174310772844
Energy: 0.6647823006830548
Energy: 0.7005174310784695
Energy: 0.6039279018102996
Energy: 0.7307499673038992
Energy: 0.7919333930358754
Energy: 0.7307521048116152
Energy: 0.6393156269531587
Energy: 0.7236297202341025
Energy: 0.5842084064628631
Energy: 0.7236297202341025
Energy: 0.6903260828181814
Energy: 0.7252087432516358
Energy: 0.5876909773561121
Energy: 0.7252087432504508
Energy: 0.6056825037826626
Energy: 0.7204408037774324
Energy: 0.589122436119817
Energy: 0.7204408037774324
Energy: 0.7225185015756994
Energy: 0.6848806321947539
Energy: 0.5959270417268734
Energy: 0.6848805808556016
Energy: 0.6370388526211442
Energy: 0.7287166323886254
Energy: 0.7817886258109301
Energy: 0.7287166323838852
Energy: 0.6236762621318731
Energy: 0.6982507471473168
Energy: 0.7781644825963336
Energy: 0.6982507471390212
Energy: 0.7005937144721408
Energy: 0.7017277613241408
Energy: 0.6043191422446748
Energy: 0.7017277613241408
Energy: 0.5852404023441293
Energy: 0.714634862537371
Energy: 0.5856483931402403
Energy: 0.714634862537371
Energy: 0.6062974171767748
Energy: 0.7301626539637142
Energy: 0.7740525714046174
Energy: 0.7301626539648725
Energy: 0.6071509767680636
Energy: 0.7129661927453648
Energy: 0.6094256728019446
Energy: 0.7129661927453648
Energy: 0.6023954929165107
Energy: 0.6451724220781243
Energy: 0.7359477811704422
Energy: 0.6451724220793094

minimum gb energy = 0.584131806526255 eV
minimum distance =  2.62045816111548 Angstroms
sigma value = 17


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

Energy: 0.6543816320292198
Energy: 0.7460655468999426
Energy: 0.8559646105108659
Energy: 0.7460655468992716
Energy: 0.6988191558233949
Energy: 0.6799181403914438
Energy: 0.6266957408311382
Energy: 0.6799181403813763
Energy: 0.7900167610696361
Energy: 0.7462947509884238
Energy: 0.6267016724317371
Energy: 0.7462947509890949
Energy: 0.6428844408087694
Energy: 0.7328992343775462
Energy: 0.6610290105223182
Energy: 0.7328992343788886
Energy: 0.7690358372916003
Energy: 0.6905011012087799
Energy: 0.6848871997163402
Energy: 0.6909770948420889
Energy: 0.6114147445028776
Energy: 0.744600043413694
Energy: 0.8196139258952505
Energy: 0.7446000434150364
Energy: 0.6019437068983763
Energy: 0.7076659342125169
Energy: 0.5975424845267238
Energy: 0.7076659342131879
Energy: 0.7576193144318629
Energy: 0.7530355843269254
Energy: 0.6290442155538782
Energy: 0.7530355618173364
Energy: 0.5986363705425359
Energy: 0.7483307128519563
Energy: 0.6996753678373501
Energy: 0.7483307128519563
Energy: 0.7547903351204436
Energy: 0.7036896160694003
Energy: 0.6500783480266423
Energy: 0.7036896082705862
Energy: 0.6108467844960057
Energy: 0.7345283190354992
Energy: 0.8112923082384038
Energy: 0.7345283190354992
Energy: 0.6069338478507037
Energy: 0.7084834061528719
Energy: 0.6261122725476169
Energy: 0.7084834061495161
Energy: 0.8241651538362247
Energy: 0.7201128499188482
Energy: 0.6668712097276106
Energy: 0.7201128497095362
Energy: 0.616531676509828
Energy: 0.7243279681862778
Energy: 0.702094537914321
Energy: 0.724327968186949
Energy: 0.7119903272298359
Energy: 0.7069147991181335
Energy: 0.6020580690137388
Energy: 0.7069147991282009
Energy: 0.7067164783746597
Energy: 0.7533731283625089
Energy: 0.7104990857636516
Energy: 0.7533731283504279
Energy: 0.6452536088371837
Energy: 0.6680878002753298
Energy: 0.7172256675182077
Energy: 0.6680877595966362
Energy: 0.7760552824461779
Energy: 0.7147525237814779
Energy: 0.6089382208641906
Energy: 0.7147525237881895
Energy: 0.6226662746169026
Energy: 0.7301863937662334
Energy: 0.6790913778339941
Energy: 0.7301863937595522
Energy: 0.611800654886007
Energy: 0.7423483179651915
Energy: 0.6309815584468706
Energy: 0.7423483179651915
Energy: 0.663347840984561
Energy: 0.7239200004355942
Energy: 0.7033085783161078
Energy: 0.7239200007643125
Energy: 0.6374853498991446
Energy: 0.7313716403416802
Energy: 0.7548458048167729
Energy: 0.7313716403396667
Energy: 0.7135479047376616
Energy: 0.7271242218562969
Energy: 0.6013921526438308
Energy: 0.7271242218415617
Energy: 0.6088418223211678
Energy: 0.7049239211875606
Energy: 0.684293804198104
Energy: 0.704923921188232
Energy: 0.6139518875826825
Energy: 0.7431259445746947
Energy: 0.8069970564494785
Energy: 0.7431259445773793
Energy: 0.7083117005461343
Energy: 0.7279143036962672
Energy: 0.6046450924079213
Energy: 0.7279143036949247
Energy: 0.6428663983065236
Energy: 0.7159818396546581
Energy: 0.8711538115492456
Energy: 0.7159810226387464
Energy: 0.7038141519445641
Energy: 0.7140519335615476
Energy: 0.7001567784401745
Energy: 0.7140519335615476
Energy: 0.7287765808320893
Energy: 0.7496043272896836
Energy: 0.6875902591470513
Energy: 0.7496043272896836
Energy: 0.6067693133281744
Energy: 0.7216981348789556
Energy: 0.7107310394970686
Energy: 0.7216981349151984

minimum gb energy = 0.5975424845267238 eV
minimum distance =  2.53097968934709 Angstroms
sigma value = 53


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

Energy: 0.5711073518621419
Energy: 0.5711676024343042
Energy: 0.854369231300935
Energy: 0.5711676024343042
Energy: 0.6970235440141044
Energy: 0.6169807356278482
Energy: 0.6158480920415652
Energy: 0.6169807356278482
Energy: 0.5747357555576635
Energy: 0.5710663970057611
Energy: 0.6203271468111932
Energy: 0.5710663970057611
Energy: 0.5874120231286175
Energy: 0.6678739216050487
Energy: 0.6177766144487441
Energy: 0.6678739216050487
Energy: 0.7676825521198919
Energy: 0.6170601921816097
Energy: 0.615395416337701
Energy: 0.6170601921816097
Energy: 0.5711073518605967
Energy: 0.5711676024343042
Energy: 0.8543692312962996
Energy: 0.5711676024343042
Energy: 0.6970235440465172
Energy: 0.6169807356278482
Energy: 0.6158480920415652
Energy: 0.6169807356278482
Energy: 0.5747357555684796
Energy: 0.5710663970073063
Energy: 0.6203271468127384
Energy: 0.5710663970073063
Energy: 0.5874120231286175
Energy: 0.6678739216035036
Energy: 0.6177766144502892
Energy: 0.6678739216050487
Energy: 0.7677162283650675
Energy: 0.6170601921816097
Energy: 0.615395416337701
Energy: 0.6170601921816097
Energy: 0.5711073518605967
Energy: 0.5711676024343042
Energy: 0.8543692312993899
Energy: 0.5711676024343042
Energy: 0.6970235440727846
Energy: 0.6169807356278482
Energy: 0.6158480920415652
Energy: 0.6169807356278482
Energy: 0.5747357555638442
Energy: 0.5710663970057611
Energy: 0.6203271468127384
Energy: 0.5710663970073063

minimum gb energy = 0.5710663970057611 eV
minimum distance =  2.59484069823679 Angstroms
sigma value = 9


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

Energy: 0.6486237768333624
Energy: 0.757384866432446
Energy: 0.831981502795566
Energy: 0.7573848664313023
Energy: 0.7686355350228061
Energy: 0.650144151497358
Energy: 0.628487049931525
Energy: 0.6501324108574995
Energy: 0.6319877746781236
Energy: 0.7139755540244278
Energy: 0.6159325119908401
Energy: 0.713975551248621
Energy: 0.7265885413913158
Energy: 0.7428098015085071
Energy: 0.6239463979581106
Energy: 0.7428098015085071
Energy: 0.8245214375605451
Energy: 0.6634337952166823
Energy: 0.6544135445344013
Energy: 0.6634337945147244
Energy: 0.6471606464932788
Energy: 0.7610011060051408
Energy: 0.8477476908186372
Energy: 0.7610011060160065
Energy: 0.8274682537251733
Energy: 0.7048604944112157
Energy: 0.6315334955329743
Energy: 0.7139842788004369
Energy: 0.7068423022706152
Energy: 0.7494310390804774
Energy: 0.6946799039914787
Energy: 0.7494310373313011
Energy: 0.6415230184530121
Energy: 0.7703721624306993
Energy: 0.6421236207273318
Energy: 0.7703721624209773
Energy: 0.7237758313357804
Energy: 0.6815032733512855
Energy: 0.6302017558200518
Energy: 0.6815032733530012
Energy: 0.6322233398111672
Energy: 0.7549277830339594
Energy: 0.7965411479520984
Energy: 0.7549277830333874
Energy: 0.7839493835932929
Energy: 0.7539516711561866
Energy: 0.6411558640446356
Energy: 0.7542180718135321
Energy: 0.6314966371274542
Energy: 0.7966972034467892
Energy: 0.7597251902307647
Energy: 0.7966972034485048
Energy: 0.7717866058762034
Energy: 0.7571214811549565
Energy: 0.6183572338949702
Energy: 0.7571214811446886
Energy: 0.612858419066577
Energy: 0.6773380507807208
Energy: 0.69109774418029
Energy: 0.6773380506440934
Energy: 0.6348393446250027
Energy: 0.750755755567286
Energy: 0.7113638907481115
Energy: 0.7507557553677776
Energy: 0.6681958110024477
Energy: 0.7227144321983999
Energy: 0.6205991936840249
Energy: 0.7227144321995438
Energy: 0.6235840988910326
Energy: 0.7160575671654671
Energy: 0.8528030213110185
Energy: 0.7160575671671827
Energy: 0.7971849288357441
Energy: 0.757878235067575
Energy: 0.6385925679129024
Energy: 0.7578782350835876
Energy: 0.6237909656805282
Energy: 0.6634348747944805
Energy: 0.747535987708725
Energy: 0.6634348749145235
Energy: 0.6963283738026245
Energy: 0.7459534367935416
Energy: 0.700549871182809
Energy: 0.7459534378790499
Energy: 0.6809188469023667
Energy: 0.6988954577342392
Energy: 0.6284009635812556
Energy: 0.6988954577125337
Energy: 0.6410249898423149
Energy: 0.7132599026120562
Energy: 0.663854500603725
Energy: 0.7132599081637218
Energy: 0.7906138330273167
Energy: 0.7415628281605032
Energy: 0.6405988244338969
Energy: 0.7415628289430706
Energy: 0.6189564522394975
Energy: 0.7534157218512021
Energy: 0.821773290662682
Energy: 0.7534157223193646
Energy: 0.6545858217235668
Energy: 0.7216037353571757
Energy: 0.6426245717138259
Energy: 0.7216037353726167
Energy: 0.7542656336826895
Energy: 0.7187477823850923
Energy: 0.7174544020219425
Energy: 0.7187477823919548
Energy: 0.6478872312508749
Energy: 0.7453578540635147
Energy: 0.7331146732946977
Energy: 0.7453578408835013
Energy: 0.6771812951767805
Energy: 0.6823574902967441
Energy: 0.6293477292694811
Energy: 0.682355624483911
Energy: 0.6427661225760556
Energy: 0.7557376498070147
Energy: 0.8268799319132353
Energy: 0.7557376499099014
Energy: 0.7267756925231674
Energy: 0.7347456039115172
Energy: 0.6561120869419184
Energy: 0.7347456039120891
Energy: 0.6363020569232625
Energy: 0.7111664105784014
Energy: 0.6710827477975803
Energy: 0.711166410566392
Energy: 0.6380691244776712
Energy: 0.7294085616011979
Energy: 0.6277536199612697
Energy: 0.7294085615897604
Energy: 0.6927134535574612
Energy: 0.7406652225197434
Energy: 0.7123861538447036
Energy: 0.7406652225191716
Energy: 0.6493116851563633
Energy: 0.7619520190527963
Energy: 0.819124308911117
Energy: 0.7619520253669874

minimum gb energy = 0.612858419066577 eV
minimum distance =  2.5160195692033 Angstroms
sigma value = 73


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

Energy: 0.6508500405747603
Energy: 0.679319744505866
Energy: 0.8315324661900306
Energy: 0.6793348101221021
Energy: 0.6754226582485727
Energy: 0.7946270053403885
Energy: 0.6213063988521875
Energy: 0.7946270053222625
Energy: 0.610936647352525
Energy: 0.701737112380821
Energy: 0.6376630102402522
Energy: 0.7017371116353207
Energy: 0.6354593926170081
Energy: 0.6866771962349583
Energy: 0.630483727980276
Energy: 0.683923782215078
Energy: 0.6846774074939175
Energy: 0.6544140919378272
Energy: 0.6798843961918711
Energy: 0.6544140919414566
Energy: 0.64039480224548
Energy: 0.7350383968430458
Energy: 0.7844694871995463
Energy: 0.7350383970053971
Energy: 0.8580929395987147
Energy: 0.7816604065592934
Energy: 0.6236670616256357
Energy: 0.781660406558386
Energy: 0.6403057269124494
Energy: 0.6598167205331292
Energy: 0.791751281534976
Energy: 0.6598167244637709
Energy: 0.842602524046272
Energy: 0.7285366943108144
Energy: 0.6039483140015438
Energy: 0.7285366943108144
Energy: 0.6651471734198394
Energy: 0.6759895863759405
Energy: 0.6002093169555235
Energy: 0.6759895863768479
Energy: 0.6424317061525654
Energy: 0.7174392507333498
Energy: 0.7593144307187469
Energy: 0.7174392503814685
Energy: 0.7605855153753878
Energy: 0.6916190244286139
Energy: 0.6280361830181023
Energy: 0.6916190223145621
Energy: 0.6290786510298252
Energy: 0.7218554384527202
Energy: 0.9074267099961758
Energy: 0.7218554383130523
Energy: 0.7721795014183683
Energy: 0.7555977170266603
Energy: 0.6327416871847307
Energy: 0.755597717025753
Energy: 0.6175681388263478
Energy: 0.6854798352690133
Energy: 0.7974430693346327
Energy: 0.6878746676326907
Energy: 0.7732435986485177
Energy: 0.7805937449473684
Energy: 0.6515739144184474
Energy: 0.7805937449464612
Energy: 0.6629836273952051
Energy: 0.7508413353663774
Energy: 0.6340614123554194
Energy: 0.7508413353672848
Energy: 0.6477246253725848
Energy: 0.7047017313384311
Energy: 0.6133060427645703
Energy: 0.704701497508385
Energy: 0.7699805548836302
Energy: 0.6591024585317995
Energy: 0.6300225548257427
Energy: 0.6591024533931225
Energy: 0.6419162892803346
Energy: 0.7672872325243543
Energy: 0.8361607291306637
Energy: 0.7672871613309945
Energy: 0.7539076449218847
Energy: 0.7271059334607924
Energy: 0.6296227724444675
Energy: 0.727105933440831
Energy: 0.6296720215714268
Energy: 0.721672073665408
Energy: 0.7077242433354746
Energy: 0.7216720729035963

minimum gb energy = 0.6002093169555235 eV
minimum distance =  2.50482535139087 Angstroms
sigma value = 7


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

Energy: 0.6083961092848158
Energy: 0.7193421031863612
Energy: 0.8396027947351317
Energy: 0.7193421031870028
Energy: 0.8062215489863183
Energy: 0.8318197690749523
Energy: 0.6480836401523913
Energy: 0.8318197690749523
Energy: 0.6548872069365881
Energy: 0.7242139643887132
Energy: 0.652609856821377
Energy: 0.7242139643803728
Energy: 0.6642239781484107
Energy: 0.6789462757153356
Energy: 0.6279570120240044
Energy: 0.678946498902627
Energy: 0.6458403924224551
Energy: 0.6851553411551639
Energy: 0.6317512679688309
Energy: 0.6851553410365292
Energy: 0.635169414590524
Energy: 0.7206163439654466
Energy: 0.8261437519916731
Energy: 0.7206163439686544
Energy: 0.8308207978833216
Energy: 0.7649610839952284
Energy: 0.6524294850466894
Energy: 0.7649611036157551
Energy: 0.6272406071912334
Energy: 0.6437266674963128
Energy: 0.8578366119882344
Energy: 0.6419307291661521
Energy: 0.8574895980248153
Energy: 0.6622814866089333
Energy: 0.6335721134270141
Energy: 0.6622814253367203
Energy: 0.6406844172774885
Energy: 0.6853658808047332
Energy: 0.7521026727597563
Energy: 0.6853658889120152
Energy: 0.6768944816369254
Energy: 0.7379222186383371
Energy: 0.6564716518416728
Energy: 0.7379222186364125
Energy: 0.6129020473221086
Energy: 0.7000914101954261
Energy: 0.6358446380891608
Energy: 0.7000914101960677
Energy: 0.6276671217770688
Energy: 0.7117817562552597
Energy: 0.6498100487922986
Energy: 0.711781764242624
Energy: 0.6737247365389778
Energy: 0.7197684121552224
Energy: 0.6463066353316309
Energy: 0.7197684121673832
Energy: 0.6680932200709931
Energy: 0.767200718060312
Energy: 0.7946779857158598
Energy: 0.7672006606448616
Energy: 0.8011992389462853
Energy: 0.7199708200474967
Energy: 0.6235835624901165
Energy: 0.7199708200468551
Energy: 0.6341526744672226
Energy: 0.7571244937531979
Energy: 0.7059932175979632
Energy: 0.7571244937538395
Energy: 0.6482379459443972
Energy: 0.7561716156618359
Energy: 0.6388013649885821
Energy: 0.7561716156618359
Energy: 0.6349090776350786
Energy: 0.7268984390818807
Energy: 0.7888630701730482
Energy: 0.726898437748612
Energy: 0.6409720758064802
Energy: 0.6600160108726599
Energy: 0.6396130564024985
Energy: 0.6600160053132224
Energy: 0.8227194903267347
Energy: 0.7379296530202392
Energy: 0.624997765895822
Energy: 0.7379296530163896
Energy: 0.6686429793177605
Energy: 0.7348550457260047
Energy: 0.7632323099680107
Energy: 0.7348539743776732
Energy: 0.8591786848596754
Energy: 0.7120471755019683
Energy: 0.6570931900060337
Energy: 0.7120471755000434
Energy: 0.6138214549966039
Energy: 0.7345248851680022
Energy: 0.8470235337488912
Energy: 0.7345248851686438
Energy: 0.6613657671448155
Energy: 0.6648542000758269
Energy: 0.6383637575308007
Energy: 0.6648569789048328
Energy: 0.7088064933502667
Energy: 0.7218993516378781
Energy: 0.6614546968613907
Energy: 0.7218993516436524
Energy: 0.6427144732048687
Energy: 0.6726135939111799
Energy: 0.7667405490917738
Energy: 0.6725946237303557
Energy: 0.6667669493533062
Energy: 0.6828033896391684
Energy: 0.6308438836753183
Energy: 0.6828033896391684
Energy: 0.6163752711678679
Energy: 0.6958105666721861
Energy: 0.8004049715194288
Energy: 0.6965589016517999
Energy: 0.7138105630329815
Energy: 0.8446493783191553
Energy: 0.6565802578129952
Energy: 0.8446493783204384
Energy: 0.6190545620813869
Energy: 0.8036557056368017
Energy: 0.7454562735649208
Energy: 0.8036557056355184

minimum gb energy = 0.6083961092848158 eV
minimum distance =  2.5131639637609 Angstroms
sigma value = 29


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

Energy: 0.6112283490924353
Energy: 0.7141456173329487
Energy: 0.8404656797337285
Energy: 0.7141456173329487
Energy: 0.7722527088056208
Energy: 0.7794325263810394
Energy: 0.6880109687632736
Energy: 0.77943252635591
Energy: 0.6058931555890235
Energy: 0.706300829759334
Energy: 0.686139480565571
Energy: 0.7063008297571487
Energy: 0.6169643154107091
Energy: 0.6813399860038081
Energy: 0.6859897952200804
Energy: 0.6813399860038081
Energy: 0.6132975151429101
Energy: 0.7394499678623316
Energy: 0.5854922975195844
Energy: 0.7394499678632006
Energy: 0.6807894386403811
Energy: 0.6187429399893232
Energy: 0.6762699454772866
Energy: 0.6187429399895467
Energy: 0.5854478750370177
Energy: 0.700476930918574
Energy: 0.6196633302544008
Energy: 0.7004769309179283
Energy: 0.6906230770858345
Energy: 0.6818474572163968
Energy: 0.610124695156689
Energy: 0.6818474572163968
Energy: 0.7731826728984917
Energy: 0.6757706771764328
Energy: 0.605356729316743
Energy: 0.6757706771753402

minimum gb energy = 0.5854478750370177 eV
minimum distance =  2.59773160851452 Angstroms
sigma value = 5


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

Energy: 0.5953537379310405
Energy: 0.7327069762701319
Energy: 0.8355129850969083
Energy: 0.7327069762658895
Energy: 0.7359086016387738
Energy: 0.8151561745019408
Energy: 0.6125526808552464
Energy: 0.8151561745025466
Energy: 0.5809370841762969
Energy: 0.6167442804794581
Energy: 0.801313837767326
Energy: 0.6167442804691827
Energy: 0.7212668987366567
Energy: 0.6191085606932644
Energy: 0.5780729871530302
Energy: 0.619115754861217
Energy: 0.6748016191958442
Energy: 0.7644945473104747
Energy: 0.7435283969288243
Energy: 0.7644945458983992
Energy: 0.6871023570448198
Energy: 0.6806745729594142
Energy: 0.5860703474307408
Energy: 0.6806745681077135
Energy: 0.6282370152252624
Energy: 0.7125327648279911
Energy: 0.6435821039486291
Energy: 0.7125327624327326
Energy: 0.6251032154047653
Energy: 0.7765252400006892
Energy: 0.6840999947061572
Energy: 0.7765252400012953
Energy: 0.6316832998574368
Energy: 0.7784286014214871
Energy: 0.6596959691751345
Energy: 0.7784286014184568
Energy: 0.6813038211026448
Energy: 0.7608095213434738
Energy: 0.6569810056606709
Energy: 0.760809521380443
Energy: 0.6804009757617603
Energy: 0.7302988878842169
Energy: 0.5839008855090877
Energy: 0.730298888226499
Energy: 0.610555383220594
Energy: 0.7047513099125094
Energy: 0.7149006214918924
Energy: 0.7042528019607203
Energy: 0.7878425834052184
Energy: 0.6336908273842364
Energy: 0.6074286877774108
Energy: 0.6336908017644272
Energy: 0.720354811119605
Energy: 0.7794167265224605
Energy: 0.7826192368811811
Energy: 0.7794167265109455
Energy: 0.788779016876544
Energy: 0.7347893771441354
Energy: 0.5829347015399605
Energy: 0.7347893771441354
Energy: 0.5837273698299477
Energy: 0.5733023863193901
Energy: 0.8265734228250181
Energy: 0.5733023847480054
Energy: 0.7454785023280613
Energy: 0.7451324579175602
Energy: 0.7022994596009449
Energy: 0.7451324579181664
Energy: 0.5765785630944623
Energy: 0.6171043575459919
Energy: 0.7362431297889751
Energy: 0.6171043534829862
Energy: 0.7491661241908224
Energy: 0.6805781440296054
Energy: 0.5893293928180467
Energy: 0.6805730849664926
Energy: 0.5900231155795743
Energy: 0.8327175745764436
Energy: 0.70645844363739
Energy: 0.8327175556832699
Energy: 0.6459968685574334
Energy: 0.7204842110884054
Energy: 0.604499038541242
Energy: 0.7204842110429516
Energy: 0.6720911351898351
Energy: 0.7094296627820134
Energy: 0.6944857749231876
Energy: 0.709429658058107
Energy: 0.6551847857787767
Energy: 0.7423608846224952
Energy: 0.644019766854923
Energy: 0.7423608830832037
Energy: 0.6110907628344732
Energy: 0.6893104605560493
Energy: 0.6425672353723508
Energy: 0.6986825521932883
Energy: 0.6027264106594638
Energy: 0.6566045917258746
Energy: 0.65264825956439
Energy: 0.6566044991409192
Energy: 0.7597061054808718
Energy: 0.7420998421982363
Energy: 0.6254149060387525
Energy: 0.7420998422036909
Energy: 0.6446725212980191
Energy: 0.6766816246153716
Energy: 0.7649380745755006
Energy: 0.6766815292643912
Energy: 0.8093319266107312
Energy: 0.7830924024534094
Energy: 0.5811581147431595
Energy: 0.7830924030737321
Energy: 0.6701909180106277
Energy: 0.7787197550689472
Energy: 0.7694244117305329
Energy: 0.7787197550683412
Energy: 0.8478870946529034
Energy: 0.7227581154609449
Energy: 0.577840182263421
Energy: 0.7227581182081825
Energy: 0.5771591372305709
Energy: 0.6184962682136085
Energy: 0.8498353479593447
Energy: 0.6184962481488245
Energy: 0.7774479305375267
Energy: 0.6937729395383749
Energy: 0.6395870129095687
Energy: 0.6937729394577975
Energy: 0.6127559780003583
Energy: 0.7888902393077214
Energy: 0.8116136088408699
Energy: 0.7888902393089334

minimum gb energy = 0.5733023847480054 eV
minimum distance =  2.47705069219853 Angstroms
sigma value = 1


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

Energy: 0.546860908286845
Energy: 0.5469694517718554
Energy: 0.8188058636348212
Energy: 0.5469694517718554
Energy: 0.7694222811858061
Energy: 0.763570503462773
Energy: 0.5637849362095543
Energy: 0.7635705032935796
Energy: 0.5553075853239086
Energy: 0.7034118773303754
Energy: 0.7507898247490756
Energy: 0.7034118777416465
Energy: 0.7419360649523807
Energy: 0.6082548700390846
Energy: 0.6009449526975374
Energy: 0.6082552149521075
Energy: 0.5793479546775223
Energy: 0.6342183083466858
Energy: 0.7379990230588238
Energy: 0.6342183084011347
Energy: 0.7134323750917259
Energy: 0.7455591284570505
Energy: 0.6060038122125344
Energy: 0.7455591283029406
Energy: 0.6237830628174362
Energy: 0.7142000160408212
Energy: 0.7061963176553403
Energy: 0.714200021818557
Energy: 0.624769265095314
Energy: 0.7889813685622861
Energy: 0.6503926445103828
Energy: 0.7889813685614481
Energy: 0.5466340405275903
Energy: 0.6060259987307811
Energy: 0.5677389871654936
Energy: 0.5694149075787466
Energy: 0.5466713476939575
Energy: 0.7104061501388756
Energy: 0.5744741095662597
Energy: 0.7104061499579507
Energy: 0.6179715809134925
Energy: 0.7799025889602985
Energy: 0.5658584697851179
Energy: 0.7799025881067895
Energy: 0.616204264421472
Energy: 0.6894334678784302
Energy: 0.6158474466507812
Energy: 0.6894334434365262
Energy: 0.7031549409328857
Energy: 0.7652293500074053
Energy: 0.5470353103760223
Energy: 0.7652293500141092
Energy: 0.5787761736075926
Energy: 0.6337708140577679
Energy: 0.7004921265819477
Energy: 0.6337708140477313
Energy: 0.7389922987286434
Energy: 0.5940596707632504
Energy: 0.5468596606014439
Energy: 0.5940596707632504
Energy: 0.5523702281028485
Energy: 0.688480385179443
Energy: 0.7485498301211471
Energy: 0.6884803845705064
Energy: 0.7710007852026658
Energy: 0.7784390307772757
Energy: 0.6523120465636796
Energy: 0.7784390307772757
Energy: 0.5468609082860069
Energy: 0.5469694517718554
Energy: 0.6990705506209771
Energy: 0.5469694517726934
Energy: 0.7694222808943264
Energy: 0.7635705060936705
Energy: 0.563784938388977
Energy: 0.7635705061975404
Energy: 0.5553075853239086
Energy: 0.7034118819162152
Energy: 0.7750718896067379
Energy: 0.7034118818358084
Energy: 0.7419360649272417
Energy: 0.608249039709205
Energy: 0.6009449526975374
Energy: 0.6082492486669206
Energy: 0.5793479547286002
Energy: 0.6342183082218856
Energy: 0.7492885490925326
Energy: 0.6342183082470056
Energy: 0.7134323750917259
Energy: 0.7455591296204747
Energy: 0.6060038122058304
Energy: 0.7455591295794332
Energy: 0.6237830628526119
Energy: 0.7142002788308536
Energy: 0.7121559202702972
Energy: 0.7142002929091626

minimum gb energy = 0.5466340405275903 eV
minimum distance =  2.55093562776244 Angstroms
sigma value = 17


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

Energy: 0.5456023768654158
Energy: 0.7690958016853431
Energy: 0.799085885117686
Energy: 0.769095801685861
Energy: 0.6826540198994262
Energy: 0.6797502380990211
Energy: 0.560632730260177
Energy: 0.6797502379882308
Energy: 0.5455754725043567
Energy: 0.5824987748721746
Energy: 0.7354515824327844
Energy: 0.5824987748732104
Energy: 0.8226650596897241
Energy: 0.6647295532621772
Energy: 0.5824022258584891
Energy: 0.6647295497034712
Energy: 0.5625462065912566
Energy: 0.6666668200508018
Energy: 0.7319475666884373
Energy: 0.6664927825825021
Energy: 0.7032165183209482
Energy: 0.8055395167300028
Energy: 0.5950158602782197
Energy: 0.8055395167237878
Energy: 0.64546898413497
Energy: 0.7103916391683146
Energy: 0.6509584080911123
Energy: 0.7103916392801406
Energy: 0.6415608473678404
Energy: 0.65880331140097
Energy: 0.595192404667177
Energy: 0.6588033148322651
Energy: 0.556909957099494
Energy: 0.6536630672994356
Energy: 0.6118691793159088
Energy: 0.6536601223578722
Energy: 0.5699643588324973
Energy: 0.7624117763889076
Energy: 0.593156759338508
Energy: 0.7624117763630109
Energy: 0.6361842494550043
Energy: 0.7121026066908692
Energy: 0.6455337728829811
Energy: 0.7121119312144261
Energy: 0.6452298644835028
Energy: 0.7458587028714079
Energy: 0.5832513106758531
Energy: 0.7458587016692892
Energy: 0.595691833057847
Energy: 0.7021668594498036
Energy: 0.5521594716167009
Energy: 0.7021667872475434
Energy: 0.6013647699638922
Energy: 0.6719858707144564
Energy: 0.7181958935303452
Energy: 0.6719869764365293
Energy: 0.6319816120909277
Energy: 0.7523643662407532
Energy: 0.5514971285382037
Energy: 0.7523643661967762
Energy: 0.682101408184636
Energy: 0.6557776831247298
Energy: 0.7912117890084156
Energy: 0.6557776831247298
Energy: 0.7375421103108698
Energy: 0.6601816532382572
Energy: 0.5914633703320715
Energy: 0.6601816529121017
Energy: 0.537869046911477
Energy: 0.747388583618003
Energy: 0.7567920348490735
Energy: 0.7473885836200748
Energy: 0.7117483757748022
Energy: 0.7501334866793651
Energy: 0.6285508735022957
Energy: 0.7501334866493722
Energy: 0.546156906566218
Energy: 0.5852177248016227
Energy: 0.7020226454201438
Energy: 0.5852176902036234
Energy: 0.7309467463189292
Energy: 0.6235727818382615
Energy: 0.6127228272892731
Energy: 0.6235727818734808
Energy: 0.5908773715808979
Energy: 0.6658808153617265
Energy: 0.7329271249143046
Energy: 0.6658808156149008
Energy: 0.8203441024175222
Energy: 0.6616966398859555
Energy: 0.5555798207099732
Energy: 0.6619686611709912
Energy: 0.563662778512993
Energy: 0.6792646118140742
Energy: 0.6903242413004416
Energy: 0.6792646117618102
Energy: 0.6671863762759159
Energy: 0.642400240995431
Energy: 0.5838784053893072
Energy: 0.6424002411196874
Energy: 0.6208904858892178
Energy: 0.7545922624665661
Energy: 0.7376639691944554
Energy: 0.7545922626591424
Energy: 0.7319054137008795
Energy: 0.7151748491053218
Energy: 0.5887492163092761
Energy: 0.715174837117943
Energy: 0.5529111635520838
Energy: 0.7650519716915891
Energy: 0.6140424491616924
Energy: 0.7650519716905533
Energy: 0.7093844455503594
Energy: 0.6696155926032029
Energy: 0.5817112822832853
Energy: 0.6696208845713202
Energy: 0.6307773087210299
Energy: 0.7487148366628191
Energy: 0.6643117416614669
Energy: 0.7487149819168881
Energy: 0.6027481185567235
Energy: 0.7734499179666979
Energy: 0.5987709369007091
Energy: 0.7734499179666979
Energy: 0.6441376797889864
Energy: 0.7207030548981643
Energy: 0.5789930337268481
Energy: 0.7207030548660996
Energy: 0.5968492173926977
Energy: 0.7432571000057184
Energy: 0.6896174589738402
Energy: 0.7432570999969137
Energy: 0.5968282649425947
Energy: 0.7729800042380567
Energy: 0.5613759544201203
Energy: 0.7729800042385746
Energy: 0.5496446319167158
Energy: 0.6542522427600738
Energy: 0.6961599725867357
Energy: 0.6542522606699499
Energy: 0.6440316199558571
Energy: 0.700508541416186
Energy: 0.620162157026947
Energy: 0.7005085414218831
Energy: 0.547574017314241
Energy: 0.7730055886100403
Energy: 0.701030898642268
Energy: 0.7730055870585065
Energy: 0.6950390709531142
Energy: 0.6745191865084256
Energy: 0.6010897031064901
Energy: 0.6745191860833921

minimum gb energy = 0.537869046911477 eV
minimum distance =  2.52615559122443 Angstroms
sigma value = 89


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

Energy: 0.4745889573818413
Energy: 0.5227945060303986
Energy: 0.8148520412789333
Energy: 0.5227945060290433
Energy: 0.6632316821450416
Energy: 0.6560465345204525
Energy: 0.4972010231041942
Energy: 0.6560465345204525
Energy: 0.4953916855149057
Energy: 0.6307595300240132
Energy: 0.7356995529003101
Energy: 0.6307595300240132
Energy: 0.7558666309782099
Energy: 0.6462973656917428
Energy: 0.5986807752862153
Energy: 0.6462973653355011
Energy: 0.597402936639295
Energy: 0.6133391442894698
Energy: 0.6107017959542628
Energy: 0.6133391442894698
Energy: 0.5158474585015645
Energy: 0.7189549305230218
Energy: 0.47865272133204984
Energy: 0.7189549304918836
Energy: 0.48911270017422565
Energy: 0.7184933423167408
Energy: 0.5323083189216905
Energy: 0.7184932543534345
Energy: 0.6330314606301604
Energy: 0.6307745294417031
Energy: 0.5948638083155195
Energy: 0.6307745294417031
Energy: 0.5981528804254551
Energy: 0.7031248866816608
Energy: 0.5845233803558543
Energy: 0.7031248866816608
Energy: 0.7424408187765938
Energy: 0.6150666593821349
Energy: 0.6066615651555589
Energy: 0.6150666593821349
Energy: 0.49072293270299266
Energy: 0.5377025886669357
Energy: 0.5137628932751345
Energy: 0.5377025886669357
Energy: 0.5046180792281385
Energy: 0.7732714991591305
Energy: 0.5007311795907997
Energy: 0.7732714991591305
Energy: 0.5954347772994293
Energy: 0.616018420467293
Energy: 0.7821923865239977
Energy: 0.6160184204645828
Energy: 0.6136673981539631
Energy: 0.5290380577342194
Energy: 0.6066179688252986
Energy: 0.5290380577355747
Energy: 0.49722751067065923
Energy: 0.619153332791076
Energy: 0.5958242210613263
Energy: 0.619153332791076

minimum gb energy = 0.4745889573818413 eV
minimum distance =  2.53931350694945 Angstroms
sigma value = 13


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

Energy: 0.4822484242280847
Energy: 0.6456172278751499
Energy: 0.7811042807837516
Energy: 0.6456172279256766
Energy: 0.6130662084702397
Energy: 0.7341125691481651
Energy: 0.4849136541362001
Energy: 0.73411256702365
Energy: 0.47787255853357263
Energy: 0.6772628142941897
Energy: 0.6740125194220947
Energy: 0.6772628143237258
Energy: 0.7286673332178882
Energy: 0.7513087197829967
Energy: 0.4822375493740663
Energy: 0.7513087197841327
Energy: 0.48675576969691015
Energy: 0.7022263255864668
Energy: 0.6061015676187986
Energy: 0.7022263253224483
Energy: 0.7835403803947426
Energy: 0.589804441518314
Energy: 0.48612277452477193
Energy: 0.5898044409142161
Energy: 0.5417422946836816
Energy: 0.6990323358206315
Energy: 0.6091258597641026
Energy: 0.6990323366205875
Energy: 0.7005718338652759
Energy: 0.7568710370713783
Energy: 0.48299503958183587
Energy: 0.7568710370725144
Energy: 0.5261303410216599
Energy: 0.6911730420564671
Energy: 0.6924041218479737
Energy: 0.6911730272642519
Energy: 0.675363481910198
Energy: 0.7319867083845946
Energy: 0.48041600064711576
Energy: 0.7319867083902746
Energy: 0.5770767978295575
Energy: 0.7147291539521274
Energy: 0.5212580211495348
Energy: 0.7147291543183351
Energy: 0.679601785577744
Energy: 0.7628328658433635
Energy: 0.5823859385665372
Energy: 0.7628328658427955
Energy: 0.50254777763355
Energy: 0.7427155804940583
Energy: 0.5342001676351864
Energy: 0.7427155805275447
Energy: 0.682069870951061
Energy: 0.728699834983546
Energy: 0.5311734918706091
Energy: 0.7286998349574177
Energy: 0.4942737184781705
Energy: 0.7516207867480661
Energy: 0.5841296857812189
Energy: 0.7516207865419839
Energy: 0.5045315703040519
Energy: 0.7055053123980131
Energy: 0.49927682982388405
Energy: 0.7055051278605492
Energy: 0.4971837153393004
Energy: 0.707470543679679
Energy: 0.4981658343830285
Energy: 0.707470543676839
Energy: 0.515727672581504
Energy: 0.7060126537444852
Energy: 0.49671976607865626
Energy: 0.7060126776235489
Energy: 0.49200947853762944
Energy: 0.7370642809969259
Energy: 0.503029870362144
Energy: 0.737064291856308
Energy: 0.5171844718352854
Energy: 0.7490981182227275
Energy: 0.5016183236146073
Energy: 0.7490981182130716
Energy: 0.5175404883033742
Energy: 0.7189921282257524
Energy: 0.4986632533978769
Energy: 0.7189921278737449
Energy: 0.5366969681636676
Energy: 0.7190636748345733
Energy: 0.5029398592578417
Energy: 0.7190607948368639
Energy: 0.5053168000435115
Energy: 0.6801733905067298
Energy: 0.534455952606642
Energy: 0.6823647478928843
Energy: 0.49163783642425096
Energy: 0.6650491621822842
Energy: 0.5311293433382296
Energy: 0.6650491163698278
Energy: 0.7506497917763841
Energy: 0.7400026514846212
Energy: 0.4948676280658794
Energy: 0.7400026513898161
Energy: 0.48789139480607513
Energy: 0.7319716979428361
Energy: 0.5023179586449137
Energy: 0.7319716762649422
Energy: 0.6435958658715417
Energy: 0.7799216939256431
Energy: 0.502578960443077
Energy: 0.7799216939245072
Energy: 0.4848358646270409
Energy: 0.6738544737675861
Energy: 0.5300608674581638
Energy: 0.6738540796281187
Energy: 0.6866150460452889
Energy: 0.7309359591353954
Energy: 0.4826514111390617
Energy: 0.7309359591365315
Energy: 0.4892447440082468
Energy: 0.7490929171623876
Energy: 0.6991406593963968
Energy: 0.7490929171606836
Energy: 0.7000883675330013
Energy: 0.7658398710969813
Energy: 0.48245870179027156
Energy: 0.7658398710964133
Energy: 0.5317884429534793
Energy: 0.7825177396862989
Energy: 0.6290477255760833
Energy: 0.7825177396874349
Energy: 0.7800985753713012
Energy: 0.7120257351495972
Energy: 0.4794440088856825
Energy: 0.7120257351518693
Energy: 0.5004284861648142
Energy: 0.7557614019119563
Energy: 0.5416994064681061
Energy: 0.7557614019136604
Energy: 0.7294534436986395
Energy: 0.7412822575780758
Energy: 0.483809199521412
Energy: 0.7412822575769398

minimum gb energy = 0.47787255853357263 eV
minimum distance =  2.49481741212573 Angstroms
sigma value = 37


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

Energy: 0.5168251182769077
Energy: 0.6555951493959902
Energy: 0.7587585783773271
Energy: 0.6508731023186866
Energy: 0.5603331383747913
Energy: 0.5859175505591028
Energy: 0.4410199866222497
Energy: 0.5859175353279164
Energy: 0.49860617933126117
Energy: 0.7449769960052347
Energy: 0.6985998788336116
Energy: 0.7449769960501651
Energy: 0.6871662554756343
Energy: 0.648313883735856
Energy: 0.44531082027716035
Energy: 0.6483138837905587
Energy: 0.4399064235522339
Energy: 0.4423369081202787
Energy: 0.621228503857116
Energy: 0.4423369081202787
Energy: 0.7692217199639017
Energy: 0.653265604240482
Energy: 0.5011724447493451
Energy: 0.6532656043420695
Energy: 0.5148164549639846
Energy: 0.7099722927823592
Energy: 0.6152240382746453
Energy: 0.7181634926198068
Energy: 0.523520440341389
Energy: 0.4425384843825616
Energy: 0.4443887852787518
Energy: 0.4425384843825616
Energy: 0.44184203401735417
Energy: 0.6352853197108748
Energy: 0.5696087158767205
Energy: 0.635275966952258
Energy: 0.6898161636145528
Energy: 0.7112106208448481
Energy: 0.5016729514855784
Energy: 0.7112106206348545
Energy: 0.5582097300256956
Energy: 0.7266148001084206
Energy: 0.547406664043362
Energy: 0.7266148001084206
Energy: 0.6976853270861965
Energy: 0.6803898628448732
Energy: 0.4447530345530145
Energy: 0.6803898629318024
Energy: 0.5077240678820555
Energy: 0.6772205643038192
Energy: 0.5164778698739605
Energy: 0.6772206248398486
Energy: 0.7880343653726496
Energy: 0.7026368357853467
Energy: 0.4620405087720263
Energy: 0.7026368952693428
Energy: 0.5220982351840997
Energy: 0.5398621791416933
Energy: 0.464831352682599
Energy: 0.539862179140716
Energy: 0.6577018896031209
Energy: 0.6548350304107167
Energy: 0.45176514933203543
Energy: 0.6548350302544265
Energy: 0.5105634295174223
Energy: 0.7629873087786436
Energy: 0.5443740169490336
Energy: 0.7629873094028053
Energy: 0.5356005170278768
Energy: 0.7000741488148229
Energy: 0.5663079940137841
Energy: 0.7000741266952475
Energy: 0.4568355465958008
Energy: 0.6131160373037136
Energy: 0.46200845341638935
Energy: 0.6131161075989031
Energy: 0.4724258065524079
Energy: 0.7008956102291867
Energy: 0.5151140883978155
Energy: 0.7050272303314301

minimum gb energy = 0.4399064235522339 eV
minimum distance =  2.55794196708042 Angstroms
sigma value = 25


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

Energy: 0.4710708896729963
Energy: 0.6358670694926429
Energy: 0.7128412782834979
Energy: 0.6358670692951068
Energy: 0.6250443393568577
Energy: 0.6156805608311563
Energy: 0.39666138302256165
Energy: 0.6156805663885606
Energy: 0.45104815526981
Energy: 0.5995959481952147
Energy: 0.6779718146661097
Energy: 0.5995959482028456
Energy: 0.5069900060141707
Energy: 0.5727026626725377
Energy: 0.3979875250980223
Energy: 0.5724373218099232
Energy: 0.4013903521807509
Energy: 0.6200681397685743
Energy: 0.5727119881381626
Energy: 0.620068139542041
Energy: 0.7374266601957724
Energy: 0.6169358481097151
Energy: 0.4026000198072997
Energy: 0.6169358480776653
Energy: 0.39736585358072446
Energy: 0.525146930788114
Energy: 0.5059392002326547
Energy: 0.5091932085117792
Energy: 0.5722460441590813
Energy: 0.6436604649008749
Energy: 0.45482102915899464
Energy: 0.6436631259581282
Energy: 0.39605293107588635
Energy: 0.6504893445424456
Energy: 0.6791510399364027
Energy: 0.650489344919238
Energy: 0.6040183769353162
Energy: 0.6098109505556805
Energy: 0.41349404495868425
Energy: 0.609810950550339
Energy: 0.4990026317357718
Energy: 0.518069094442546
Energy: 0.4941949250108736
Energy: 0.5180690909087151
Energy: 0.6318066162534667
Energy: 0.6561643981186376
Energy: 0.4558283249476496
Energy: 0.6561643813244
Energy: 0.398858730035989
Energy: 0.5756203110537336
Energy: 0.5656210043487697
Energy: 0.5756203110415242
Energy: 0.525113304937673
Energy: 0.6402919074611003
Energy: 0.40267306384337775
Energy: 0.6402919077570401
Energy: 0.4024495335896271
Energy: 0.5711266548116446
Energy: 0.46227183449409204
Energy: 0.5711266548116446
Energy: 0.5856296976076235
Energy: 0.6704789433836308
Energy: 0.47897213539273004
Energy: 0.6704789431464141
Energy: 0.4521749962515444
Energy: 0.580455992941627
Energy: 0.5737153559722643
Energy: 0.5804559159976562
Energy: 0.4984030524887241
Energy: 0.6454676692655306
Energy: 0.3964707372963594
Energy: 0.6454676692655306
Energy: 0.47601078657266016
Energy: 0.6387587784240258
Energy: 0.4232393515623174
Energy: 0.6387589671002268
Energy: 0.7013282628051682
Energy: 0.6776672869759898
Energy: 0.4608018077468504
Energy: 0.6776672862475519
Energy: 0.45605194636151225
Energy: 0.6623286109977489
Energy: 0.4321304238477116
Energy: 0.6623286109626814
Energy: 0.5700437853886776
Energy: 0.6088359292455475
Energy: 0.40088349898646497
Energy: 0.6068646424690487
Energy: 0.463007619501041
Energy: 0.6584926473923233
Energy: 0.5314048642763124
Energy: 0.6584926473892709
Energy: 0.47628915236965813
Energy: 0.6530860968693917
Energy: 0.40084054367073685
Energy: 0.6530860458291732
Energy: 0.48560123205280836
Energy: 0.6729516271417801
Energy: 0.5600695436298778
Energy: 0.6729516350141194
Energy: 0.4665812419729389
Energy: 0.5936493511761678
Energy: 0.4603437644291361
Energy: 0.5936493466347473

minimum gb energy = 0.39605293107588635 eV
minimum distance =  2.48565808348466 Angstroms
sigma value = 41


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

Energy: 0.5429721150364458
Energy: 0.5442605618386851
Energy: 0.699610672959686
Energy: 0.5442605635108214
Energy: 0.6827049516163606
Energy: 0.5410815451990204
Energy: 0.36027076774108446
Energy: 0.5410815452396849
Energy: 0.36631875894934396
Energy: 0.565901386317008
Energy: 0.6638949079381418
Energy: 0.5658938874794714
Energy: 0.6919365000905539
Energy: 0.5400950678279534
Energy: 0.3575110859170796
Energy: 0.540095067828579
Energy: 0.3551636755433706
Energy: 0.5581512560875806
Energy: 0.418721935847035
Energy: 0.5581488581808416
Energy: 0.41503022778681037
Energy: 0.5485200159787416
Energy: 0.36354331371227333
Energy: 0.5485200126726311
Energy: 0.35702157778379934
Energy: 0.6181567563155702
Energy: 0.4187179793187567
Energy: 0.6181573867603025
Energy: 0.5456485927997904
Energy: 0.5867825930897798
Energy: 0.3556267583152734
Energy: 0.5867825951352332
Energy: 0.36172446173672
Energy: 0.6003741758323976
Energy: 0.5547188529012922
Energy: 0.6003741743416308
Energy: 0.7053451602649965
Energy: 0.5430403302667637
Energy: 0.3666994830550469
Energy: 0.543040330930221
Energy: 0.3593175269446016
Energy: 0.5866732846349804
Energy: 0.6720265799615478
Energy: 0.5866732846343549
Energy: 0.5993497564629222
Energy: 0.6018288041176267
Energy: 0.541402525089347
Energy: 0.6020456349091351
Energy: 0.3590804316608813
Energy: 0.6336259974726982
Energy: 0.7441935123620278
Energy: 0.6336259974433229
Energy: 0.6191230220955474
Energy: 0.7205572899210027
Energy: 0.36677729631314354
Energy: 0.7205567862951022
Energy: 0.35726472516052826
Energy: 0.5913836020846992
Energy: 0.5025045481379109
Energy: 0.591383601452494
Energy: 0.6240709299034803
Energy: 0.6007354535572459
Energy: 0.35562854617926476
Energy: 0.6007354535516154
Energy: 0.35886173377475344
Energy: 0.5767588371529401
Energy: 0.45073559335850466
Energy: 0.5767588371560681
Energy: 0.4819255883544358
Energy: 0.6303952163697066
Energy: 0.3574817591687439
Energy: 0.6303952167430523
Energy: 0.3570809165297943
Energy: 0.4749536749208785
Energy: 0.552862034165939
Energy: 0.47492592223550756
Energy: 0.5197134017863436
Energy: 0.6007566168834045
Energy: 0.36438318435089057
Energy: 0.6007566168815277
Energy: 0.36811109670657716
Energy: 0.6819444592868656
Energy: 0.548116704056193
Energy: 0.6819444587972137
Energy: 0.6310799891266226
Energy: 0.6230017587042156
Energy: 0.3575485698918276
Energy: 0.6230017586360528
Energy: 0.54329585154507
Energy: 0.5883859340374885
Energy: 0.3849044248919693
Energy: 0.5939479515636924
Energy: 0.504873138500931
Energy: 0.5840890652565076
Energy: 0.41513919784732306
Energy: 0.5840890652540052
Energy: 0.3681531989610362
Energy: 0.6298694871090683
Energy: 0.4094085443800733
Energy: 0.6298694867920271
Energy: 0.45223643040655975
Energy: 0.6773255043677003
Energy: 0.3576176939144908
Energy: 0.6773254591644563
Energy: 0.35711046847577105
Energy: 0.591503139249655
Energy: 0.6219881752510813
Energy: 0.5915031392490296
Energy: 0.4523461794605593
Energy: 0.672090325859194
Energy: 0.4092343078905709
Energy: 0.6720903242139588
Energy: 0.3589207956695896
Energy: 0.6390350314313439
Energy: 0.5358813184961223
Energy: 0.6390350314269646
Energy: 0.39940061435965013
Energy: 0.6628009121442258
Energy: 0.3622154215202615
Energy: 0.6628009106328139
Energy: 0.3640176159161788
Energy: 0.6113703963290263
Energy: 0.4649618688714475
Energy: 0.6141267917109039
Energy: 0.4056994808844344
Energy: 0.5771272946537168
Energy: 0.370263632877488
Energy: 0.5771272946530913

minimum gb energy = 0.3551636755433706 eV
minimum distance =  2.49395582817086 Angstroms
sigma value = 15


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

Energy: 0.5374574697164741
Energy: 0.6314085593768022
Energy: 0.6620316479687869
Energy: 0.6314083070222714
Energy: 0.6796148854411203
Energy: 0.5153188738425368
Energy: 0.3346889915624959
Energy: 0.5153197806096887
Energy: 0.3851244525878441
Energy: 0.5064807071169731
Energy: 0.5860693900420002
Energy: 0.5065095702006874
Energy: 0.5828395101432607
Energy: 0.5630423804118942
Energy: 0.33479052265830506
Energy: 0.5630423801030617
Energy: 0.3766741455316618
Energy: 0.6400543261514626
Energy: 0.5207393635160408
Energy: 0.6400543257425125
Energy: 0.5032361425216996
Energy: 0.5172057663015078
Energy: 0.33505448326973336
Energy: 0.5172057659672364
Energy: 0.3372884466665022
Energy: 0.5454205561752196
Energy: 0.423511353957313
Energy: 0.4975198532945548
Energy: 0.42232813530651525
Energy: 0.4962061977538505
Energy: 0.3378467083243744
Energy: 0.49620619376860997
Energy: 0.3739971755971555
Energy: 0.5766148789720648
Energy: 0.5423271515884783
Energy: 0.5766149219060984
Energy: 0.7037975196114358
Energy: 0.5663474715187962
Energy: 0.3761173583692331
Energy: 0.5663473558659268
Energy: 0.33426690316192675
Energy: 0.5303286644821964
Energy: 0.5785350932049539
Energy: 0.5303286698961608
Energy: 0.5189902019796702
Energy: 0.5129769239575018
Energy: 0.3892234386050937
Energy: 0.5150499268275289
Energy: 0.33545361435706084
Energy: 0.5958120002455481
Energy: 0.766420561661694
Energy: 0.5958004808845585
Energy: 0.5113665877352237
Energy: 0.5976404689682305
Energy: 0.4951319542972827
Energy: 0.5976404702189301
Energy: 0.33431619512158944
Energy: 0.5171884298399613
Energy: 0.6165971162871148
Energy: 0.5171897423840578
Energy: 0.544393917342716
Energy: 0.5115275695491028
Energy: 0.3874658079670726
Energy: 0.5127445285738179
Energy: 0.3355350521566168
Energy: 0.5372781074976156
Energy: 0.622055258037805
Energy: 0.5372750391128902
Energy: 0.4444802900360322
Energy: 0.6003849516767459
Energy: 0.37445130945654137
Energy: 0.6003849551863072
Energy: 0.33532441804830815
Energy: 0.6624085146357384
Energy: 0.477710956087153
Energy: 0.6624085146346783
Energy: 0.49127868294426574
Energy: 0.5200493669347656
Energy: 0.3378217959438894
Energy: 0.5200493686781518
Energy: 0.3390410847349407
Energy: 0.5540228969761217
Energy: 0.4616195338866375
Energy: 0.5555867552078961
Energy: 0.5395751087374044
Energy: 0.5819212658732774
Energy: 0.3844261590505333
Energy: 0.5819212491673162
Energy: 0.3783810669246713
Energy: 0.5389078318712055
Energy: 0.5744924449298712
Energy: 0.5389090246352545
Energy: 0.6485303959066211
Energy: 0.526133408291499
Energy: 0.3347767997760816
Energy: 0.5261334069618329
Energy: 0.38406772242869347
Energy: 0.5850033009351792
Energy: 0.7340949456777138
Energy: 0.5850014521014612
Energy: 0.5567904403189832
Energy: 0.5522210263000927
Energy: 0.3368427099488112
Energy: 0.5522210266984434
Energy: 0.5389141001316239
Energy: 0.5724171262405485
Energy: 0.354251817038838
Energy: 0.5724171270908258
Energy: 0.7470980574378252
Energy: 0.520049079484284
Energy: 0.3346309746707681
Energy: 0.520049081708119
Energy: 0.38685767415274697
Energy: 0.6428996822619288
Energy: 0.37055064452419495
Energy: 0.6428996824399051
Energy: 0.48068706726159277
Energy: 0.5455702546347995
Energy: 0.3838875884755406
Energy: 0.5935365434282763
Energy: 0.37416155208277585
Energy: 0.5747387308991674
Energy: 0.44126224827238075
Energy: 0.5747387307677809
Energy: 0.48311702152741076
Energy: 0.5502876274342668
Energy: 0.33628657010419044
Energy: 0.5502865035283097
Energy: 0.33896384867672824
Energy: 0.5801824921206549
Energy: 0.48329280642094646
Energy: 0.5801824868015083
Energy: 0.47565628926363557
Energy: 0.5251750560215411
Energy: 0.34089859671708
Energy: 0.5251750114029007
Energy: 0.3312387064421427
Energy: 0.5702165394959383
Energy: 0.4767498473160373
Energy: 0.5702101410527304
Energy: 0.39785522550978913
Energy: 0.5656418639014166
Energy: 0.3829232226816083
Energy: 0.5656394870648105
Energy: 0.33555847975353603
Energy: 0.623363121035053
Energy: 0.7087002450616385
Energy: 0.6233631210928207

minimum gb energy = 0.3312387064421427 eV
minimum distance =  2.48963969334085 Angstroms
sigma value = 85


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

Energy: 0.4511889013759636
Energy: 0.5542717638529367
Energy: 0.6361355654716556
Energy: 0.5542717642466902
Energy: 0.7347427740614513
Energy: 0.5392023952207645
Energy: 0.303794783690106
Energy: 0.5392023946850415
Energy: 0.43116783035535416
Energy: 0.4408477813481969
Energy: 0.5878217079044399
Energy: 0.4408475678001573
Energy: 0.6662183317881938
Energy: 0.510638564206168
Energy: 0.30361952818689447
Energy: 0.510653182336832
Energy: 0.31622509978413266
Energy: 0.43248626824519093
Energy: 0.65540849513102
Energy: 0.4324862721036244
Energy: 0.4884061635354948
Energy: 0.4905344338040203
Energy: 0.30362217882785025
Energy: 0.49053344329678006
Energy: 0.30209076208211944
Energy: 0.4485521642676459
Energy: 0.35736787254125474
Energy: 0.44855216219829835
Energy: 0.43437754785368077
Energy: 0.48339474525494514
Energy: 0.30366796281946523
Energy: 0.4834277615882569
Energy: 0.30360437159624737
Energy: 0.4422883481607703
Energy: 0.42087517619060366
Energy: 0.4422883315457968
Energy: 0.3506244006426486
Energy: 0.6246340410271491
Energy: 0.30239158291694945
Energy: 0.6246340408962113
Energy: 0.30460791253438363
Energy: 0.5234493171711756
Energy: 0.474942016774483
Energy: 0.5234490056819733
Energy: 0.4991018111471719
Energy: 0.4878556950891383
Energy: 0.31658891501961484
Energy: 0.469073039256774
Energy: 0.30350246853906304
Energy: 0.4350012728847796
Energy: 0.7085547000867869
Energy: 0.43499737388778403
Energy: 0.6495706209163844
Energy: 0.4393610482304033
Energy: 0.4333870564916719
Energy: 0.4404498604309622
Energy: 0.3047386196284937
Energy: 0.47095452664448767
Energy: 0.7356050202994404
Energy: 0.47097253921702475
Energy: 0.4712263629727608
Energy: 0.5546665507431188
Energy: 0.4470414801754684
Energy: 0.5546662087769847
Energy: 0.30342874589757846
Energy: 0.4393858585092225
Energy: 0.7511622174173479
Energy: 0.4393858430267865
Energy: 0.5461679352075525
Energy: 0.4410696904262099
Energy: 0.4322045526457966
Energy: 0.44106969339239865
Energy: 0.304644625481212
Energy: 0.47252147420240526
Energy: 0.6953323467599946
Energy: 0.4725214742014859
Energy: 0.5510876580338672
Energy: 0.5471707613916252
Energy: 0.31663702226291274
Energy: 0.5503768341460962
Energy: 0.30338400990604364
Energy: 0.4396002147039107
Energy: 0.4396067086316522
Energy: 0.4396037960932306
Energy: 0.4479082757951347
Energy: 0.43695094218799474
Energy: 0.3024625557794687
Energy: 0.43688870316218137
Energy: 0.3046133481506795
Energy: 0.5305530338213661
Energy: 0.37780401648673395
Energy: 0.5305530346975231
Energy: 0.4063197206890092
Energy: 0.5289623383617271
Energy: 0.303805584349849
Energy: 0.5289623380428549
Energy: 0.3033924490307148
Energy: 0.45012315385907153
Energy: 0.369914524848671
Energy: 0.4501233485009041
Energy: 0.5941824111829029
Energy: 0.4915003127224032
Energy: 0.3300877670172759
Energy: 0.49150031264428345
Energy: 0.31748313818845597
Energy: 0.5089419449745832
Energy: 0.49576793515619505
Energy: 0.5089419491868015
Energy: 0.4743676505852444
Energy: 0.5576819325772879
Energy: 0.30377764605376406
Energy: 0.5576819340241012
Energy: 0.4358121247172332
Energy: 0.4408088042056093
Energy: 0.698370035038929
Energy: 0.4413508984496155
Energy: 0.6387387328946014
Energy: 0.47206043297133227
Energy: 0.30479319698365065
Energy: 0.47206054750862286
Energy: 0.4485870554228138
Energy: 0.6158796275005247
Energy: 0.3404475508869218
Energy: 0.615879627438033
Energy: 0.5739987157902579
Energy: 0.5556757376076228
Energy: 0.30384102431978144
Energy: 0.5556746048175928
Energy: 0.43548979125223025
Energy: 0.44083368873260254
Energy: 0.3482190082843372
Energy: 0.4406729350194294
Energy: 0.5519378834970972
Energy: 0.5230222111974727
Energy: 0.30483208391803024
Energy: 0.5230222111202932
Energy: 0.3174622163515266
Energy: 0.527577252539822
Energy: 0.5508143926740624
Energy: 0.5546324345827716
Energy: 0.37414563599923767
Energy: 0.6162037362997264
Energy: 0.30375679541545614
Energy: 0.6162037456811765
Energy: 0.30343062439664026
Energy: 0.4367827273246169
Energy: 0.47179515063872907
Energy: 0.43698119701495897
Energy: 0.3809694061695667
Energy: 0.47352550119420017
Energy: 0.30463560219586905
Energy: 0.473525501178593
Energy: 0.30451308571587354
Energy: 0.5445742666493402
Energy: 0.40287538830281466
Energy: 0.544574284125323
Energy: 0.39127750068935163
Energy: 0.5389058684743865
Energy: 0.3050192762594345
Energy: 0.5370898758442049
Energy: 0.30348504433939516
Energy: 0.4914096963294171
Energy: 0.5401750158714844
Energy: 0.4936254561889167
Energy: 0.3802948049717313
Energy: 0.4743386751354572
Energy: 0.3187218039088433
Energy: 0.474338675151545
Energy: 0.3047395871675309
Energy: 0.5282086173983486
Energy: 0.5858759007700648
Energy: 0.5282119780810077

minimum gb energy = 0.30209076208211944 eV
minimum distance =  2.49381054149865 Angstroms
sigma value = 113


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

Energy: 0.011681733781675262
Energy: 0.01231509152389448
Energy: 0.5700162735329392
Energy: 0.012315091524228203
Energy: 0.4096296711628337
Energy: 0.8691963587605508
Energy: 1.0200322706402847
Energy: 0.8691963587605508
Energy: 0.011681733781675262
Energy: 0.012315091524228203
Energy: 0.5700162735322521
Energy: 0.01231509152458156
Energy: 0.4096296711624804
Energy: 0.8691963587605508
Energy: 1.0200322706402847
Energy: 0.8691963587605508
Energy: 0.011681733781675262
Energy: 0.012315091523541124
Energy: 0.5700162735329392
Energy: 0.012315091524228203
Energy: 0.4096296711624804
Energy: 0.8691963587609042
Energy: 1.0200322706416782
Energy: 0.8691963587605508

minimum gb energy = 0.011681733781675262 eV
minimum distance =  2.81820837569016 Angstroms
sigma value = 1