Model name: model_name=MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_001
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=4.0499990060925475
cohesive_energy=3.360264284479465
mass=26.981538
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=[1.73023861235562e-19, 2.37559536053082e-19, 2.85817096269162e-19, 3.2434303561032597e-19, 3.5623916803999796e-19, 3.8321661820328993e-19, 4.06348844444982e-19, 4.2635682625037395e-19, 4.43764475378784e-19, 4.58956314222372e-19, 4.72230347635062e-19, 4.838252999353199e-19, 4.93930227965958e-19, 5.02700542860474e-19, 5.1026922527949e-19, 5.16746825410752e-19, 5.22224667322398e-19, 5.267860641993959e-19, 5.30501511813642e-19, 5.33433495053862e-19, 5.356364879256119e-19, 5.37158555727912e-19, 5.38044559406514e-19, 5.38331349024e-19, 5.38022128933638e-19, 5.37019166360754e-19, 5.35187878468092e-19, 5.3237125194552e-19, 5.28372219067056e-19, 5.2295846422077e-19, 5.15838391259274e-19, 5.066611234997219e-19, 4.949876645443979e-19, 4.8026846780784e-19, 4.618161995140619e-19, 4.38757673397534e-19, 4.099777745209919e-19, 3.7403454391383596e-19, 3.29040617501214e-19, 2.72503008440622e-19, 2.01077974096902e-19, 1.1020748216398739e-19, -6.420130055400419e-21, -1.577169861096528e-19, -3.56562807720066e-19, -6.221476174550759e-19, -9.8412097566816e-19, -1.489769523535194e-18, -2.2170920261291998e-18, -3.29929825533084e-18, -4.97140989940494e-18, -7.658308179921959e-18, -1.2124199307767219e-17, -1.9600227852039e-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: 0.010325872581209702
Energy: 0.010950987900728381
Energy: 0.5143419934104255
Energy: 0.34068228992879146
Energy: 0.010950987900728381
Energy: 0.5253485324627538
Energy: 0.010950987900728381
Energy: 0.5253485324622541
Energy: 0.5143419934104255
Energy: 0.010950987900728381
Energy: 0.010325872581209702
Energy: 0.010950987900728381
Energy: 0.34068228992879146
Energy: 0.5253485324622541
Energy: 0.010950987900728381
Energy: 0.5253485324622541

minimum gb energy = 0.010325872581209702 eV
minimum distance =  2.74068193017606 Angstroms
sigma value = 1


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

Energy: 0.6100775885199929
Energy: 0.55832939420619
Energy: 0.6036156191355858
Energy: 0.5824451667877353
Energy: 0.5678470862795225
Energy: 0.590844926670624
Energy: 0.5629000255356363
Energy: 0.59084492667123
Energy: 0.602668312817481
Energy: 0.6026907134580166
Energy: 0.5624236246225987
Energy: 0.6026907134568045
Energy: 0.5758235817968884
Energy: 0.5835241211081588
Energy: 0.5629956579494655
Energy: 0.5835241211081588
Energy: 0.5728957299010661
Energy: 0.5838248284816769
Energy: 0.5643348267574775
Energy: 0.583824828482283
Energy: 0.5904332321423003
Energy: 0.5971129718585515
Energy: 0.5643637891819479
Energy: 0.5971129718585515
Energy: 0.5762257490206907
Energy: 0.6002023501059851
Energy: 0.5737945482262253
Energy: 0.6002023501059851
Energy: 0.5765337003395524
Energy: 0.6017053610338013
Energy: 0.5993983980684234
Energy: 0.6017053610344073
Energy: 0.5775644606819508
Energy: 0.586527134564254
Energy: 0.5788088764181372
Energy: 0.586527134564254
Energy: 0.5933549682761964
Energy: 0.5899607436076822
Energy: 0.578365275419052
Energy: 0.5899607436070763
Energy: 0.5767727159877727
Energy: 0.586420747857069
Energy: 0.5781478081397771
Energy: 0.586420747857069
Energy: 0.5773215391035058
Energy: 0.585608323349684
Energy: 0.5989801636199572
Energy: 0.585608323349684
Energy: 0.5769379244820628
Energy: 0.5991054071848301
Energy: 0.5680177985415409
Energy: 0.599105407185436
Energy: 0.5893077402971084
Energy: 0.5978813533431223
Energy: 0.5847892733097348
Energy: 0.5978813533425162
Energy: 0.5674415992474119
Energy: 0.583798853416765
Energy: 0.5771094054992425
Energy: 0.5837988534173709
Energy: 0.5784291177609155
Energy: 0.5848864343792095
Energy: 0.5629248293519309
Energy: 0.5848864343792095
Energy: 0.6031147092408279
Energy: 0.6025529444880047
Energy: 0.556606569830998
Energy: 0.6025529444886105
Energy: 0.5630698122387762
Energy: 0.5834783443301942
Energy: 0.5679497153835871
Energy: 0.5834783443295881
Energy: 0.5633349388709329
Energy: 0.6028520955374591
Energy: 0.6040812992811757
Energy: 0.6028520955368531
Energy: 0.5850908735264555
Energy: 0.6060787913550663
Energy: 0.5655612943252083
Energy: 0.6060787913556723
Energy: 0.5660593415292644
Energy: 0.5836263862312178
Energy: 0.5731767164840162
Energy: 0.5836263862312178
Energy: 0.5653686846409398
Energy: 0.584011796084198
Energy: 0.5893201544386967
Energy: 0.584011796083592
Energy: 0.5741768215506036
Energy: 0.6004972636474947
Energy: 0.5753312082236114
Energy: 0.6004972636474947
Energy: 0.598598267438341
Energy: 0.5839446827524759
Energy: 0.5746128048932249
Energy: 0.5839446827524759
Energy: 0.5857392560223922
Energy: 0.5873559410261948
Energy: 0.5777586323100916
Energy: 0.5873559410268008
Energy: 0.5795319115391472
Energy: 0.5865015247991098
Energy: 0.5945231924880605
Energy: 0.5865015247991098
Energy: 0.5783830514783015
Energy: 0.5871684799148701
Energy: 0.5765882249912708
Energy: 0.5871684799142641
Energy: 0.5973396042132921
Energy: 0.5864964092332963
Energy: 0.5908904055406305
Energy: 0.5864964092332963
Energy: 0.5815107526932959
Energy: 0.5989862553641937
Energy: 0.5734212764099799
Energy: 0.5989862553641937
Energy: 0.5802867997957243
Energy: 0.5978162468842166
Energy: 0.5890338618733398
Energy: 0.5978162468842166
Energy: 0.5647294729498344
Energy: 0.5843545862340024
Energy: 0.5675490000318185
Energy: 0.5843545862333963
Energy: 0.5631502600309561
Energy: 0.5844648546625413
Energy: 0.5788081292766075
Energy: 0.5844648546625413
Energy: 0.5562573213202177
Energy: 0.5639483766594069
Energy: 0.6031930403898623
Energy: 0.5639483766581949

minimum gb energy = 0.5562573213202177 eV
minimum distance =  2.5522167463798 Angstroms
sigma value = 1


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

Energy: 0.6468227585250748
Energy: 0.5824167195452418
Energy: 0.6306820764557246
Energy: 0.5824167195445509
Energy: 0.5990436058838903
Energy: 0.617542567410797
Energy: 0.5887899646785428
Energy: 0.617542567410797
Energy: 0.6317341416778854
Energy: 0.6311400824593082
Energy: 0.5874120145551959
Energy: 0.6311400824593082
Energy: 0.5873871604965624
Energy: 0.610703623975872
Energy: 0.5888175750322722
Energy: 0.6107036239765629
Energy: 0.588498290667597
Energy: 0.6119650142034764
Energy: 0.5890999450984898
Energy: 0.6119650142034764
Energy: 0.6152291076904818
Energy: 0.6285708126440618
Energy: 0.5892289957658966
Energy: 0.6285708126419889
Energy: 0.6015094233645218
Energy: 0.630864524123666
Energy: 0.6002535904856042
Energy: 0.630864524122975
Energy: 0.6006406612287791
Energy: 0.633260311835232
Energy: 0.6270936026529081
Energy: 0.63326031183385
Energy: 0.6021534138488923
Energy: 0.6205153304944713
Energy: 0.604479403064501
Energy: 0.6205153304965444
Energy: 0.6278921090509542
Energy: 0.6202431822553424
Energy: 0.6019286649476319
Energy: 0.6202431822567244
Energy: 0.5946138376028348
Energy: 0.6307019283338962
Energy: 0.6018367358329682
Energy: 0.6307019283345873
Energy: 0.6097802299967309
Energy: 0.6297357255163267
Energy: 0.614976518208812
Energy: 0.6297357255170176
Energy: 0.6044005093868096
Energy: 0.6107677368087422
Energy: 0.5936774878756529
Energy: 0.6107677368087422
Energy: 0.5888758434166953
Energy: 0.6115116322886281
Energy: 0.6050463779441977
Energy: 0.6115116322879371
Energy: 0.5799900096612308
Energy: 0.6309174337116161
Energy: 0.6307527203303072
Energy: 0.6309174337109251
Energy: 0.5975845099512671
Energy: 0.6107965804907214
Energy: 0.588472879713987
Energy: 0.6107965804907214
Energy: 0.6322381314884534
Energy: 0.6309510928338949
Energy: 0.5883559694015899
Energy: 0.6309510928325132
Energy: 0.589879901753677
Energy: 0.5876745564275572
Energy: 0.5903377919063703
Energy: 0.5876745564282481
Energy: 0.5886224957057982
Energy: 0.6116333297065663
Energy: 0.5889716919672395
Energy: 0.6116333297058753
Energy: 0.614747447299218
Energy: 0.6104964441745663
Energy: 0.5899414489596464
Energy: 0.6104964441745663
Energy: 0.6029161546878095
Energy: 0.6315388326115112
Energy: 0.6007570189495094
Energy: 0.6315388326122021
Energy: 0.6022345253530893
Energy: 0.6298667357953065
Energy: 0.6284200864447355
Energy: 0.6298667357973795
Energy: 0.6012111649327407
Energy: 0.6211867422816668
Energy: 0.6045975459940126
Energy: 0.6211867422816668
Energy: 0.6276781884825019
Energy: 0.6210937460000264
Energy: 0.6036683766454591
Energy: 0.6210937459972623
Energy: 0.5942238482935384
Energy: 0.6310204553258097
Energy: 0.6013547964664634
Energy: 0.6310204553265008
Energy: 0.6089466181923184
Energy: 0.6294302092242032
Energy: 0.6145373811950219
Energy: 0.6294302092255852
Energy: 0.6041950474544713
Energy: 0.6113174334499338
Energy: 0.593544916329751
Energy: 0.6113174334506248
Energy: 0.587980660372854
Energy: 0.6112841866672016
Energy: 0.6052373381770366
Energy: 0.6112841866672016
Energy: 0.5797027267210692
Energy: 0.5880572054703711
Energy: 0.63088306515412
Energy: 0.58805720546968

minimum gb energy = 0.5797027267210692 eV
minimum distance =  2.55340554508945 Angstroms
sigma value = 25


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

Energy: 0.6727882501118473
Energy: 0.605746451347417
Energy: 0.6617731798068045
Energy: 0.6368909186658513
Energy: 0.6224534580323452
Energy: 0.6456560433523874
Energy: 0.6155964019021478
Energy: 0.6456560433515841
Energy: 0.6613641798323322
Energy: 0.6616332605728048
Energy: 0.6143045969622778
Energy: 0.6616332605728048
Energy: 0.6136025469750388
Energy: 0.641307924650357
Energy: 0.6165388994146849
Energy: 0.641307924650357
Energy: 0.6153449015683864
Energy: 0.6411111203239939
Energy: 0.6159081087878335
Energy: 0.6411111203239939
Energy: 0.6141629455583137
Energy: 0.6729107165353985
Energy: 0.6165018055903425
Energy: 0.6729107165353985
Energy: 0.6256453945657904
Energy: 0.6666719547092677
Energy: 0.6235707473119364
Energy: 0.6666719547092677
Energy: 0.6244267355425487
Energy: 0.6500177408048688
Energy: 0.6600966985667885
Energy: 0.6500177408048688
Energy: 0.6256261612736577
Energy: 0.6666412701259438
Energy: 0.6223115381067902
Energy: 0.6666412701259438
Energy: 0.6136560413652589
Energy: 0.6659456945432097
Energy: 0.618297139545061
Energy: 0.6659456945424065
Energy: 0.6067255629574766
Energy: 0.640956023480622
Energy: 0.6339678427290039
Energy: 0.6409560234798186
Energy: 0.6032088772720163
Energy: 0.6410338053211089
Energy: 0.6163756859073447
Energy: 0.6410338053211089
Energy: 0.6609781855756932
Energy: 0.6612092573889432
Energy: 0.6037186514195508
Energy: 0.66120925738814
Energy: 0.6171343357471525
Energy: 0.641011844553885
Energy: 0.6232748513105758
Energy: 0.641011844553885
Energy: 0.6141668826786816
Energy: 0.6616189557903355
Energy: 0.6630996033422633
Energy: 0.6616189557895322
Energy: 0.6136851816279565
Energy: 0.6135179179087694
Energy: 0.6132779827172099
Energy: 0.6135179179095727
Energy: 0.6156470337200818
Energy: 0.6413080931336458
Energy: 0.6154553806608352
Energy: 0.6413080931336458
Energy: 0.6158975334220089
Energy: 0.6411202436916318
Energy: 0.6135434412906736
Energy: 0.6411202436916318
Energy: 0.6242290482301541
Energy: 0.6679555782302568
Energy: 0.6138736027659175
Energy: 0.6679555782302568
Energy: 0.6101707735591072
Energy: 0.6666818053911494
Energy: 0.6260998181082778
Energy: 0.6666818053911494
Energy: 0.6222071406484161
Energy: 0.6676985350138915
Energy: 0.6248508065777233
Energy: 0.6676985350138915
Energy: 0.6222599285704914
Energy: 0.666231259561692
Energy: 0.6146228750177414
Energy: 0.666231259561692
Energy: 0.6343616330007145
Energy: 0.6410315405855006
Energy: 0.6027786385051864
Energy: 0.6410315405846974
Energy: 0.6163742090331816
Energy: 0.6412706231178188
Energy: 0.6026459277951416
Energy: 0.6412706231170155
Energy: 0.6035735082249338
Energy: 0.6131045606454261
Energy: 0.6134780995961994
Energy: 0.6131045606454261

minimum gb energy = 0.6026459277951416 eV
minimum distance =  2.55999112768752 Angstroms
sigma value = 9


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

Energy: 0.7305134564057283
Energy: 0.6603800737379423
Energy: 0.7050837061735387
Energy: 0.660380073736984
Energy: 0.6456612843466525
Energy: 0.6838760815202257
Energy: 0.6713411444748484
Energy: 0.683876081521184
Energy: 0.7049346032600423
Energy: 0.7043589768901486
Energy: 0.6617036077448163
Energy: 0.7043589768901486
Energy: 0.6407622174237814
Energy: 0.6873672004071836
Energy: 0.6713817698288361
Energy: 0.6873672004062253
Energy: 0.6394600367749224
Energy: 0.6871109346224474
Energy: 0.6508860257003071
Energy: 0.6871109346214892
Energy: 0.6415677859884782
Energy: 0.7328742300107274
Energy: 0.6518653552433933
Energy: 0.7328742300107274
Energy: 0.6431627472554226
Energy: 0.7072078259625023
Energy: 0.656508558743329
Energy: 0.7072078259625023
Energy: 0.6735216628981602
Energy: 0.6863713301959381
Energy: 0.6893052474984247
Energy: 0.6863713301959381
Energy: 0.7155678758765259
Energy: 0.7296657253041107
Energy: 0.656027624801848
Energy: 0.7296657253041107
Energy: 0.6343807748489559
Energy: 0.7269130622063008
Energy: 0.6552499958729748
Energy: 0.7269130622063008
Energy: 0.626420726643582
Energy: 0.6215463468850303
Energy: 0.6352045877961915
Energy: 0.6215463468840721
Energy: 0.6341546613339691
Energy: 0.6216149026538881
Energy: 0.6354428178666315
Energy: 0.6216149026538881
Energy: 0.7326240605713819
Energy: 0.7509874020284544
Energy: 0.6616189270178561
Energy: 0.7509874020284544
Energy: 0.6723948587264873
Energy: 0.6889750506535802
Energy: 0.6623612815658501
Energy: 0.6889750506535802
Energy: 0.6393055070345401
Energy: 0.6657051902710887
Energy: 0.6555244808054135
Energy: 0.6657051902701304
Energy: 0.6704662469059643
Energy: 0.6616468325435777
Energy: 0.6507945900898781
Energy: 0.6616468325445359
Energy: 0.6432017748790038
Energy: 0.7290551559865568
Energy: 0.65063018545864
Energy: 0.7290551559865568
Energy: 0.6432627441258864
Energy: 0.7280821983839573
Energy: 0.6838927263227881
Energy: 0.7280821983849155
Energy: 0.6735267153047387
Energy: 0.6845188135529028
Energy: 0.6554438779079143
Energy: 0.6845188135529028
Energy: 0.6463135514109657
Energy: 0.6845349306511114
Energy: 0.6554517720976577
Energy: 0.6845349306520697
Energy: 0.6578767503529579
Energy: 0.6788561262395404
Energy: 0.7001780146138009
Energy: 0.6788561262385822

minimum gb energy = 0.6215463468840721 eV
minimum distance =  2.55482591411134 Angstroms
sigma value = 25


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

Energy: 0.742236749020282
Energy: 0.6337696508727559
Energy: 0.7147197896463224
Energy: 0.6856583280393468
Energy: 0.6264084049007772
Energy: 0.6637906611289865
Energy: 0.6415190442704234
Energy: 0.6637906611278016
Energy: 0.7141041418292732
Energy: 0.7143716496739436
Energy: 0.6277405449926902
Energy: 0.7143716496739436
Energy: 0.6289617509816295
Energy: 0.6653887883956721
Energy: 0.6417885706984074
Energy: 0.665388788394487
Energy: 0.6834729231961554
Energy: 0.7009216540718322
Energy: 0.6443395712626971
Energy: 0.7009216540718322
Energy: 0.6281401539059228
Energy: 0.7008418111176657
Energy: 0.641646119772506
Energy: 0.7008418111176657
Energy: 0.6255774637901015
Energy: 0.701227948279099
Energy: 0.6414981342720281
Energy: 0.701227948279099
Energy: 0.6269405009980042
Energy: 0.700493245010852
Energy: 0.6432217032457839
Energy: 0.700493245010852
Energy: 0.7135266244742764
Energy: 0.6284478015080347
Energy: 0.6253583658488485
Energy: 0.6284478015068496
Energy: 0.6423850453948385
Energy: 0.6285426471231021
Energy: 0.6258324589656571
Energy: 0.6285426471231021
Energy: 0.6274486348751035
Energy: 0.7144044533935731
Energy: 0.7148778491097003
Energy: 0.7144044533935731
Energy: 0.6280245096352189
Energy: 0.6652095895681241
Energy: 0.6281289712015603
Energy: 0.6652095895681241
Energy: 0.6428583329761611
Energy: 0.7007911808979017
Energy: 0.6837826249364939
Energy: 0.7007911808990868
Energy: 0.64389974788215
Energy: 0.7003640872141936
Energy: 0.6292313420211435
Energy: 0.7003640872141936
Energy: 0.684882821129293
Energy: 0.7000581844439999
Energy: 0.626681236765791
Energy: 0.700058184445185
Energy: 0.6417584852133881
Energy: 0.701055041583299
Energy: 0.6258082094855955
Energy: 0.701055041583299
Energy: 0.6281246098770377
Energy: 0.6284472871673891
Energy: 0.6300443722230752
Energy: 0.6284472871662039

minimum gb energy = 0.6253583658488485 eV
minimum distance =  2.63742226115009 Angstroms
sigma value = 17


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

Energy: 1.0542934521797624
Energy: 0.7334030121088175
Energy: 0.7813205200802719
Energy: 0.7592591652673343
Energy: 0.6362494961127112
Energy: 0.6679898667228803
Energy: 0.6767097782608127
Energy: 0.6679898667222091
Energy: 0.685955465729382
Energy: 0.6841970401799632
Energy: 0.7154585138170112
Energy: 0.6841970401806345
Energy: 0.6765328948349393
Energy: 0.701483752490107
Energy: 0.6763095090143348
Energy: 0.701483752490107
Energy: 0.718562842399106
Energy: 0.7224594917731119
Energy: 0.6804576095401436
Energy: 0.7224594917731119
Energy: 0.6774254962746582
Energy: 0.7221728765502927
Energy: 0.6762337802240287
Energy: 0.7221728765509638
Energy: 0.7140917930146234
Energy: 0.6843282131562954
Energy: 0.6860013205626352
Energy: 0.6843282131562954
Energy: 0.7198484942622992
Energy: 0.6761910500799766
Energy: 0.6485684890436346
Energy: 0.6761910500799766
Energy: 0.7817983546716997
Energy: 0.7793609592228853
Energy: 0.7144767422684576
Energy: 0.7793609592228853
Energy: 0.7297646100741344
Energy: 0.7079638995803588
Energy: 0.6759856032492837
Energy: 0.7079638995796877
Energy: 0.7727884676679261
Energy: 0.6397912807844566
Energy: 0.6475604360953314
Energy: 0.6397912807837854
Energy: 0.7163445185129478
Energy: 0.6676618267062302
Energy: 0.6606081576530197
Energy: 0.6676618267069014
Energy: 0.7152985754671248
Energy: 0.6675590188721612
Energy: 0.6673492456206579
Energy: 0.6675590188721612
Energy: 0.7139966656360912
Energy: 0.6673577995212292
Energy: 0.6481094100594733
Energy: 0.6673577995192158
Energy: 0.7396980644645892
Energy: 0.7146304945790686
Energy: 0.7135106179752672
Energy: 0.7146304945790686
Energy: 0.7460782692993941
Energy: 0.7152470686980662
Energy: 0.7134849354318222
Energy: 0.7152470686987373
Energy: 0.7140806962886829
Energy: 0.6764769411704145
Energy: 0.646905666703377
Energy: 0.6764769411697432
Energy: 0.7140215791315982
Energy: 0.6765680307647135
Energy: 0.6844787112035777
Energy: 0.6765680307653846
Energy: 0.6806284459170076
Energy: 0.7222151006177756
Energy: 0.6759809435989534
Energy: 0.7222151006177756
Energy: 0.695812263393858
Energy: 0.7229287247146495
Energy: 0.6789935474014714
Energy: 0.7229287247153208
Energy: 0.6799455550514603
Energy: 0.6763408918593345
Energy: 0.7156436344452913
Energy: 0.6763408918593345
Energy: 0.6847129244195383
Energy: 0.6842660509434189
Energy: 0.8486995758403978
Energy: 0.6842660509434189
Energy: 0.6758382015526088
Energy: 0.7069001418401052
Energy: 0.6907465581124483
Energy: 0.7069001418401052
Energy: 0.7144126338611922
Energy: 0.7792101006742079
Energy: 0.779412898166876
Energy: 0.7792101006742079
Energy: 0.6489376896315207
Energy: 0.6680372628158906
Energy: 0.7157999584412347
Energy: 0.6680372628158906
Energy: 0.660682415861683
Energy: 0.6680725238662155
Energy: 0.6774264749807257
Energy: 0.6680725238662155
Energy: 0.6477551424745709
Energy: 0.6481108559299318
Energy: 0.7149233955121915
Energy: 0.6481108559285894
Energy: 0.66033228465486
Energy: 0.668086856089684
Energy: 0.7163682731994212
Energy: 0.6680868581257409
Energy: 0.6612168881284068
Energy: 0.6692769866056832
Energy: 0.7139615492941366
Energy: 0.669276986605012
Energy: 0.7134270856696111
Energy: 0.779652677003403
Energy: 0.7803897371041775
Energy: 0.7796526769839394

minimum gb energy = 0.6362494961127112 eV
minimum distance =  2.57731146851007 Angstroms
sigma value = 53


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

Energy: 0.9306250850190554
Energy: 0.5965276545235507
Energy: 0.703783461754976
Energy: 0.5965276545235507
Energy: 0.8724385065848931
Energy: 0.619667823414776
Energy: 0.7324311788131316
Energy: 0.6196678234163212
Energy: 0.7023664673060259
Energy: 0.7023913977942737
Energy: 0.7569790779277321
Energy: 0.7023913977942737
Energy: 0.7313299887469792
Energy: 0.6204905016131728
Energy: 0.7306776080317215
Energy: 0.6204905016147179
Energy: 0.7421879105705256
Energy: 0.6199037182650854
Energy: 0.5855642397079094
Energy: 0.6199037182650854
Energy: 0.7303699583821425
Energy: 0.6209720507820327
Energy: 0.586078318099293
Energy: 0.6209720507835779
Energy: 0.869799465841083
Energy: 0.7018198452731639
Energy: 0.701291648488239
Energy: 0.7018198452731639
Energy: 0.8700219301427035
Energy: 0.6211580875779283
Energy: 0.730433914040371
Energy: 0.6211580875779283
Energy: 0.7024806803927371
Energy: 0.7023478591807601
Energy: 0.7578016539057225
Energy: 0.7023478591807601
Energy: 0.7296441927142256
Energy: 0.6204362722903132
Energy: 0.7306198713623854
Energy: 0.6204362722903132
Energy: 0.7595000016949237
Energy: 0.711495905214204
Energy: 0.5860497382701911
Energy: 0.711495905214204
Energy: 0.7324800022631669
Energy: 0.6201553442549532
Energy: 0.5885921135015175
Energy: 0.6201553442549532
Energy: 0.8700861522819868
Energy: 0.6210151448682151
Energy: 0.7300940158720817
Energy: 0.6210151448682151

minimum gb energy = 0.5855642397079094 eV
minimum distance =  2.6226638235865 Angstroms
sigma value = 9


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

Energy: 0.8903962974349389
Energy: 0.772538037921296
Energy: 0.8116639383832384
Energy: 0.7931753560313349
Energy: 0.7334813540800915
Energy: 0.6596528855873278
Energy: 0.8174798438146919
Energy: 0.6596528855878998
Energy: 0.6659155862411297
Energy: 0.6650768338457363
Energy: 0.8262073196022458
Energy: 0.6650768338457363
Energy: 0.6624294705012613
Energy: 0.659950864013046
Energy: 0.8882047033778955
Energy: 0.659950864013046
Energy: 0.6660865301950794
Energy: 0.6596152151003267
Energy: 0.7637059372402525
Energy: 0.659615215099183
Energy: 0.6948881868725293
Energy: 0.6595228494258498
Energy: 0.7629411780118981
Energy: 0.6595228494264216
Energy: 0.8540272073864992
Energy: 0.8173857554745809
Energy: 0.8135409279056702
Energy: 0.8173857554745809
Energy: 0.8135320828713789
Energy: 0.7329358721783249
Energy: 0.8185518156096611
Energy: 0.7329358721783249
Energy: 0.7106533846935228
Energy: 0.809277167087506
Energy: 0.7056233859138398
Energy: 0.809277167088078
Energy: 0.6482409347172797
Energy: 0.710248700778516
Energy: 0.8168435029345184
Energy: 0.7102487007779442
Energy: 0.7125187089541519
Energy: 0.7088624786865663
Energy: 0.8325009279532533
Energy: 0.7088624786859944
Energy: 0.7237554224539515
Energy: 0.7223456958476719
Energy: 0.8927236273814663
Energy: 0.7223456958471002
Energy: 0.8084936875812622
Energy: 0.7260449169939243
Energy: 0.7282175691782423
Energy: 0.7260449169944961
Energy: 0.8128641129587502
Energy: 0.7152604008652079
Energy: 0.7259186864133618
Energy: 0.7152604008652079
Energy: 0.821410475281435
Energy: 0.7215173917500072
Energy: 0.6717630427320295
Energy: 0.7215173917500072
Energy: 0.7618726950143857
Energy: 0.7211989802199934
Energy: 0.671819562970917
Energy: 0.7211989802205654
Energy: 0.7931973111144991
Energy: 0.7248673611039873
Energy: 0.714161180321604
Energy: 0.7248673611045591
Energy: 0.810996831829653
Energy: 0.8112545060104149
Energy: 0.8908359845601416
Energy: 0.8112545060109867
Energy: 0.8062270206429448
Energy: 0.7209934100638677
Energy: 0.7345387122469014
Energy: 0.7209934100638677
Energy: 0.8255967612313476
Energy: 0.6799574082295514
Energy: 0.6730892886382465
Energy: 0.6799574082295514
Energy: 0.8894248303548259
Energy: 0.660485249310833
Energy: 0.662494012260744
Energy: 0.6604852493096893
Energy: 0.7628859269360228
Energy: 0.6596047203999229
Energy: 0.6647906519505506
Energy: 0.6596047203999229
Energy: 0.763478213343452
Energy: 0.6597506023862636
Energy: 0.6935302095967929
Energy: 0.6597506023856917
Energy: 0.8113808799095532
Energy: 0.7338509720308756
Energy: 0.8530858458693226
Energy: 0.7338509720308756
Energy: 0.805915244616447
Energy: 0.7333744206027162
Energy: 0.7758739394294034
Energy: 0.7333744206027162
Energy: 0.7071229663238786
Energy: 0.725161695754809
Energy: 0.710679687471036
Energy: 0.7251616957542372
Energy: 0.7270038013494334
Energy: 0.7102088661027902
Energy: 0.6478761221379374
Energy: 0.7102088661027902
Energy: 0.828001019549721
Energy: 0.7194640750834312
Energy: 0.7124837112812885
Energy: 0.7194640750834312
Energy: 0.8912755138016238
Energy: 0.7257957118012016
Energy: 0.734433161649598
Energy: 0.7257957118012016
Energy: 0.7286634896389366
Energy: 0.7341047294808195
Energy: 0.8130064354772131
Energy: 0.7341047294802476
Energy: 0.7271573868130905
Energy: 0.7220275232414176
Energy: 0.8282187081348913
Energy: 0.7220275232419896
Energy: 0.6824358227465944
Energy: 0.7338992294651664
Energy: 0.8228135549409066
Energy: 0.7338992294657383
Energy: 0.7121025980414415
Energy: 0.72143791446232
Energy: 0.7642914907184103
Energy: 0.721437914461748
Energy: 0.7159608733152979
Energy: 0.7203361445466723
Energy: 0.7456181216374692
Energy: 0.7203361445461005
Energy: 0.8920584080371632
Energy: 0.8110519350505614
Energy: 0.8109292719188671
Energy: 0.8110519350505614

minimum gb energy = 0.6478761221379374 eV
minimum distance =  2.55187692032151 Angstroms
sigma value = 73


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

Energy: 0.93111245236162
Energy: 0.7090350214816001
Energy: 0.7881979257521589
Energy: 0.7090350214816001
Energy: 0.6576706283628821
Energy: 0.6769831892815034
Energy: 0.7090148093141414
Energy: 0.6769831892815034
Energy: 0.6835032934411458
Energy: 0.6733119866599465
Energy: 0.7888014259188271
Energy: 0.6733119866590391
Energy: 0.6699553030591004
Energy: 0.6773837705849117
Energy: 0.7688705015637213
Energy: 0.6773837705840249
Energy: 0.6811133966047039
Energy: 0.6768561024286674
Energy: 0.85357874833303
Energy: 0.6768561024295747
Energy: 0.7009471113531939
Energy: 0.6776149166598684
Energy: 0.8099483355972412
Energy: 0.6776149166607758
Energy: 0.7085039785419207
Energy: 0.8078662070617116
Energy: 0.8073216783505005
Energy: 0.8078662070608043
Energy: 0.7194289800413286
Energy: 0.7290607608301998
Energy: 0.8117011965666542
Energy: 0.7290607608301998
Energy: 0.6944219998710626
Energy: 0.7942191864819278
Energy: 0.7963517344257258
Energy: 0.7942191864819278
Energy: 0.6958925165516223
Energy: 0.7393204936759571
Energy: 0.6915713151569943
Energy: 0.7393204936759571
Energy: 0.7270765310498704
Energy: 0.6818899406434987
Energy: 0.6498195181096764
Energy: 0.6818899406434987
Energy: 0.7240171149701529
Energy: 0.6730468224681859
Energy: 0.8340348636915521
Energy: 0.6730468224681859
Energy: 0.7636390827335263
Energy: 0.7096626999092449
Energy: 0.6914777336769472
Energy: 0.7096626999092449
Energy: 0.7877082391339427
Energy: 0.7365604406699605
Energy: 0.6842796424796815
Energy: 0.7365604406699605
Energy: 0.7396113764624052
Energy: 0.7217510667064768
Energy: 0.6689986287953528
Energy: 0.7217510667055695
Energy: 0.8299392443138051
Energy: 0.707443927609398
Energy: 0.7082938643432358
Energy: 0.707443927609398
Energy: 0.7937255697576292
Energy: 0.7162876842098491
Energy: 0.7270300409040943
Energy: 0.7162876842089418
Energy: 0.7890417436642302
Energy: 0.7810939478408072
Energy: 0.7086289144107676
Energy: 0.7810939478398998
Energy: 0.6958522437153504
Energy: 0.7082184488502179
Energy: 0.7277630851098157
Energy: 0.7082184488502179
Energy: 0.7523703606748924
Energy: 0.7058500360097897
Energy: 0.705712985966462
Energy: 0.7058500360097897
Energy: 0.6960638898492302
Energy: 0.7511556518179776
Energy: 0.6983983688835796
Energy: 0.751155651818885
Energy: 0.8770344556317217
Energy: 0.7061089356129904
Energy: 0.7889116380793793
Energy: 0.7061089356138978

minimum gb energy = 0.6498195181096764 eV
minimum distance =  2.55328509885846 Angstroms
sigma value = 7


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

Energy: 1.0667064479189456
Energy: 0.6653352734521298
Energy: 0.7891439165048753
Energy: 0.6653352734527715
Energy: 0.6585599491037131
Energy: 0.6960791860655005
Energy: 0.6894150688336772
Energy: 0.6960791860642175
Energy: 0.6644854366470679
Energy: 0.6635934921459085
Energy: 0.7269609060160758
Energy: 0.6635934921459085
Energy: 0.6628993141452016
Energy: 0.6622710900181612
Energy: 0.6648720968948498
Energy: 0.6622710900162364
Energy: 0.6677616573516459
Energy: 0.6743113683400092
Energy: 0.7937208701083113
Energy: 0.6743113683374429
Energy: 0.6623284307001055
Energy: 0.6653120559354807
Energy: 0.7953601200594193
Energy: 0.6653120559348392
Energy: 0.8140914002076868
Energy: 0.6625806739833544
Energy: 0.6643590773753947
Energy: 0.6625806739827128
Energy: 0.6628592618966342
Energy: 0.6646250579559089
Energy: 0.7044115710193478
Energy: 0.6646250579565505
Energy: 0.6636070618768063
Energy: 0.662446144049656
Energy: 0.6690590095306259
Energy: 0.6624461440502976
Energy: 0.7894579795264243
Energy: 0.8266459546326045
Energy: 0.6662768122022356
Energy: 0.8266459546326045
Energy: 0.7518818246604083
Energy: 0.6947649523174183
Energy: 0.6593101152862078
Energy: 0.6947649523174183
Energy: 0.7683820414452484
Energy: 0.7458755824700881
Energy: 0.8126384931450616
Energy: 0.7458755824681634
Energy: 0.7360626103785891
Energy: 0.6921982192923829
Energy: 0.6767098489999774
Energy: 0.6921982192943076
Energy: 0.7298514092191678
Energy: 0.6921545671936964
Energy: 0.6678912913832272
Energy: 0.6921545671930548
Energy: 0.6734802949698521
Energy: 0.6920789205122683
Energy: 0.673658551606652
Energy: 0.6920789205141932
Energy: 0.8357378186368044
Energy: 0.7459661532655182
Energy: 0.789284581259411
Energy: 0.7459661532668015
Energy: 0.7189698780301973
Energy: 0.6950266920087879
Energy: 0.7033449367489949
Energy: 0.6950266920087879
Energy: 0.6654637646955579
Energy: 0.8254402105165158
Energy: 0.7260744869700979
Energy: 0.8254402105158742
Energy: 0.6676853406226805
Energy: 0.6626772764480486
Energy: 0.6645853259228331
Energy: 0.6626772764486902
Energy: 0.6974381891831226
Energy: 0.6628087107668755
Energy: 0.7191903534441215
Energy: 0.6628087107668755
Energy: 0.6620012092310442
Energy: 0.662778713022375
Energy: 0.7920609551894074
Energy: 0.662778713022375
Energy: 0.8165558692500634
Energy: 0.6663733091156457
Energy: 0.6694253791495871
Energy: 0.6663733091150041
Energy: 0.8159782583677767
Energy: 0.674299285146964
Energy: 0.6669531831536094
Energy: 0.6742992851463224
Energy: 0.6644621209246053
Energy: 0.6622421019552245
Energy: 0.6613771554469555
Energy: 0.6622421019552245
Energy: 0.7904606582055469
Energy: 0.6633639120661142
Energy: 0.6646611453099996
Energy: 0.6633639120661142
Energy: 0.7897899445556202
Energy: 0.6676428277765205
Energy: 0.6787110532468946
Energy: 0.6676428277771621
Energy: 0.7892722718343668
Energy: 0.7633612462938559
Energy: 0.9268940529744849
Energy: 0.7633612462944975
Energy: 0.7272703172003491
Energy: 0.6940602053167069
Energy: 0.6781041404457469
Energy: 0.6940602053167069
Energy: 0.7277177848466584
Energy: 0.6934513857368242
Energy: 0.6628844355355318
Energy: 0.6934513857368242
Energy: 0.6664074657264695
Energy: 0.7351764986825715
Energy: 0.6683593657934337
Energy: 0.7351764986832131
Energy: 0.8361826503955305
Energy: 0.6914502156266789
Energy: 0.7633280443107643
Energy: 0.6914502156273205

minimum gb energy = 0.6585599491037131 eV
minimum distance =  2.56049404208896 Angstroms
sigma value = 29


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

Energy: 0.5877326376141924
Energy: 0.588243238167944
Energy: 0.7042434579116027
Energy: 0.6775597300541862
Energy: 0.6131092818317395
Energy: 0.6487540002703915
Energy: 0.597635517261511
Energy: 0.6487540002703915
Energy: 0.7063402532362715
Energy: 0.5974544592403723
Energy: 0.5943688786893396
Energy: 0.5974544592403723
Energy: 0.588341546718424
Energy: 0.5977852277164958
Energy: 0.5996225773604082
Energy: 0.5977852277164958
Energy: 0.5979647854680307
Energy: 0.5978358445774025
Energy: 0.5878246137385299
Energy: 0.5978358445771789
Energy: 0.599042735136039
Energy: 0.6241727680824947
Energy: 0.5879027271860539
Energy: 0.624172768082718
Energy: 0.5936859157618684
Energy: 0.6260283460413117
Energy: 0.7059469430127979
Energy: 0.6260283460413117
Energy: 0.5972859995611607
Energy: 0.6482914712340603
Energy: 0.5881631508827583
Energy: 0.6482914712347059
Energy: 0.5882258116234649
Energy: 0.5979816811307286
Energy: 0.5998586117388849
Energy: 0.5979816811300581

minimum gb energy = 0.5877326376141924 eV
minimum distance =  2.59541469530915 Angstroms
sigma value = 5


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

Energy: 0.8112283550458703
Energy: 0.6159600985582171
Energy: 0.742122677349685
Energy: 0.6246201072079213
Energy: 0.6780970127536271
Energy: 0.6171391440299658
Energy: 0.7220502700321454
Energy: 0.6171391440305719
Energy: 0.7217917353120183
Energy: 0.72185643096986
Energy: 0.7196811140247178
Energy: 0.7218564309704658
Energy: 0.6226991411676694
Energy: 0.616199784650139
Energy: 0.692660244670535
Energy: 0.6161997846513511
Energy: 0.736959121661908
Energy: 0.6452714954419146
Energy: 0.7279202962410105
Energy: 0.6452714954425207
Energy: 0.6452358084265203
Energy: 0.645070458096736
Energy: 0.7282228333603572
Energy: 0.645070458096736
Energy: 0.6166119038500851
Energy: 0.6161714678124957
Energy: 0.7399066706625854
Energy: 0.6161714678112835
Energy: 0.616355620087228
Energy: 0.6166068396847101
Energy: 0.8141026561992125
Energy: 0.6166068396853162
Energy: 0.6859810302720039
Energy: 0.7087592132275334
Energy: 0.8111037777331548
Energy: 0.7087592132275334
Energy: 0.7163654667598149
Energy: 0.6110357300572714
Energy: 0.6249112858091226
Energy: 0.6110357300584836
Energy: 0.6842962993632736
Energy: 0.6110548232144944
Energy: 0.6144088241480725
Energy: 0.6110548232144944
Energy: 0.8287272756130039
Energy: 0.6112786987270923
Energy: 0.6112072219766645
Energy: 0.6112786987270923
Energy: 0.8166444524424218
Energy: 0.7091094481586597
Energy: 0.622276417967081
Energy: 0.7091094481586597
Energy: 0.6632867068599783
Energy: 0.7083747471577073
Energy: 0.7206571280648355
Energy: 0.7083747471577073
Energy: 0.6185935871752773
Energy: 0.7153717286761911
Energy: 0.7286127445606705
Energy: 0.7153717286761911
Energy: 0.6208922443868641
Energy: 0.6166040405979022
Energy: 0.6937476886364827
Energy: 0.6166040405979022
Energy: 0.7408778232910933
Energy: 0.616678680746247
Energy: 0.6251844154977284
Energy: 0.616678680746247
Energy: 0.7476009290754536
Energy: 0.6169788187600591
Energy: 0.6776843189121488
Energy: 0.6169788187606653
Energy: 0.7174798951371341
Energy: 0.6516070825168583
Energy: 0.7220049655479952
Energy: 0.6516070825162521
Energy: 0.7419525998237668
Energy: 0.6163290250684369
Energy: 0.6207000356937667
Energy: 0.6163290250678308
Energy: 0.7291692164088232
Energy: 0.6573112817099781
Energy: 0.6917915161404966
Energy: 0.6573112817105843
Energy: 0.720124225184405
Energy: 0.6453513597251582
Energy: 0.6467530165815261
Energy: 0.6453513597251582
Energy: 0.6922861642643338
Energy: 0.6161664192374252
Energy: 0.6180991167884164
Energy: 0.6161664192380312
Energy: 0.8173040786381731
Energy: 0.616334145389007
Energy: 0.6165943196140408
Energy: 0.6163341453896131
Energy: 0.8335674717631338
Energy: 0.7084313354025502
Energy: 0.6845036679471208
Energy: 0.7084313354031563
Energy: 0.6269350487617364
Energy: 0.611175872096407
Energy: 0.7162455694126315
Energy: 0.6111758721254698
Energy: 0.6145131827340916
Energy: 0.6111106363525635
Energy: 0.6854292138758077
Energy: 0.6111106363543815
Energy: 0.6117571310272657
Energy: 0.6108500216044506
Energy: 0.6201686243854839
Energy: 0.6108500216044506
Energy: 0.622509865894182
Energy: 0.6109302240576008
Energy: 0.8135356770901444
Energy: 0.6109302240576008
Energy: 0.729316223381568
Energy: 0.7079908279550194
Energy: 0.6825762076491767
Energy: 0.7079908279556254
Energy: 0.7218693652413624
Energy: 0.6374961974099642
Energy: 0.6188434871292704
Energy: 0.6374961974105702
Energy: 0.6923943756166746
Energy: 0.6165143575282533
Energy: 0.6182602159323662
Energy: 0.6165143575276474
Energy: 0.6228837904624875
Energy: 0.6165880763363986
Energy: 0.7407525532494047
Energy: 0.6165880763351864

minimum gb energy = 0.6108500216044506 eV
minimum distance =  2.53720552181725 Angstroms
sigma value = 1


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

Energy: 0.859193285548847
Energy: 0.5954034332568514
Energy: 0.725473697534897
Energy: 0.5954034332551755
Energy: 0.5942287231597218
Energy: 0.5903033236355681
Energy: 0.6741286940411897
Energy: 0.5903033236364061
Energy: 0.6744955966700787
Energy: 0.5901959449343361
Energy: 0.731265444818932
Energy: 0.5901959449343361
Energy: 0.5977075223083465
Energy: 0.5902998311741098
Energy: 0.6904545376019734
Energy: 0.5902998311749477
Energy: 0.6397708787301437
Energy: 0.5902215999849502
Energy: 0.6722574031458073
Energy: 0.590221599985788
Energy: 0.6200535029333966
Energy: 0.6186846945621371
Energy: 0.7489599064973649
Energy: 0.6186846945621371
Energy: 0.5894420236723663
Energy: 0.5895568271163807
Energy: 0.6903541680827651
Energy: 0.5895568271163807
Energy: 0.5903347093324217
Energy: 0.5901916587423013
Energy: 0.8637011329991842
Energy: 0.5901916587423013
Energy: 0.6907796444417245
Energy: 0.6229985977397107
Energy: 0.7121839543661694
Energy: 0.6229985977397107
Energy: 0.7274398160287759
Energy: 0.5906338423360694
Energy: 0.6184638939487533
Energy: 0.5906338423352313
Energy: 0.6904004819744634
Energy: 0.5901106681831956
Energy: 0.5899751090298712
Energy: 0.5901106681831956
Energy: 0.7101500355857139
Energy: 0.6188944587100722
Energy: 0.5909282361860039
Energy: 0.6188944587100722
Energy: 0.8627632303928475
Energy: 0.5898988525470128
Energy: 0.5972911916987724
Energy: 0.5898988525470128
Energy: 0.6905862261332198
Energy: 0.5900453130640289
Energy: 0.7340966697601881
Energy: 0.5900453130631909
Energy: 0.5940999225317857
Energy: 0.5897773434312735
Energy: 0.7335909826720539
Energy: 0.5897773434321114
Energy: 0.5941603765867012
Energy: 0.5903851854719331
Energy: 0.6852506950142645
Energy: 0.5903851854719331
Energy: 0.7246341654586689
Energy: 0.5906464225890262
Energy: 0.7312429185386842
Energy: 0.5906464225890262
Energy: 0.6180374976686072
Energy: 0.5900524218314689
Energy: 0.6886666160677838
Energy: 0.5900524218331449
Energy: 0.5901747621407137
Energy: 0.5903855921374661
Energy: 0.7124171074454484
Energy: 0.5903855921391419
Energy: 0.5900750652540209
Energy: 0.6182009804292217
Energy: 0.862463905336083
Energy: 0.6182009804300597
Energy: 0.727130747893871
Energy: 0.6242256174036419
Energy: 0.691339179216167
Energy: 0.624225617402823
Energy: 0.7272172170680736
Energy: 0.6177244285623558
Energy: 0.590801093446398
Energy: 0.6177244285615178
Energy: 0.6859387357931521
Energy: 0.5895181873685837
Energy: 0.5911062665995624
Energy: 0.5895181873685837
Energy: 0.8624073021128239
Energy: 0.5899708074018901
Energy: 0.5912710335422137
Energy: 0.5899708074002141

minimum gb energy = 0.5894420236723663 eV
minimum distance =  2.5563807917055 Angstroms
sigma value = 17


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

Energy: 0.9133528833880203
Energy: 0.5888552446043069
Energy: 0.7291785429657083
Energy: 0.5906840071296456
Energy: 0.5995471826078008
Energy: 0.5832718789678621
Energy: 0.659531042830375
Energy: 0.5832718789673442
Energy: 0.7404768357188611
Energy: 0.5835977208119826
Energy: 0.6692018461114511
Energy: 0.5835977208119826
Energy: 0.7474342021164019
Energy: 0.580270929368298
Energy: 0.6531172699709572
Energy: 0.5802709293698518
Energy: 0.6301107903666306
Energy: 0.5799486892660135
Energy: 0.7651595527585244
Energy: 0.5799486892660135
Energy: 0.5807116903964616
Energy: 0.5802753015270837
Energy: 0.7345235289277177
Energy: 0.580275301526048
Energy: 0.5804544727592846
Energy: 0.5796300548018423
Energy: 0.6525497904390872
Energy: 0.5796300548023602
Energy: 0.586865501470975
Energy: 0.5796851950548395
Energy: 0.9140307649771668
Energy: 0.5796851950548395
Energy: 0.7100739742540854
Energy: 0.57983393601299
Energy: 0.7220155837621869
Energy: 0.5798339360135079
Energy: 0.6658653167134168
Energy: 0.6103451464412264
Energy: 0.6793467799442248
Energy: 0.6103451464422623
Energy: 0.7076022499530327
Energy: 0.5841999673526781
Energy: 0.5859420900588099
Energy: 0.5841999673516423
Energy: 0.7363441909432572
Energy: 0.6051747595147869
Energy: 0.6494901367385577
Energy: 0.605174759513751
Energy: 0.7382803032273646
Energy: 0.5838254136413434
Energy: 0.6084832805418626
Energy: 0.5838254136397897
Energy: 0.6748255726604592
Energy: 0.5833763676453727
Energy: 0.5856747856106157
Energy: 0.5833763676443368
Energy: 0.751217168273442
Energy: 0.5838021403192835
Energy: 0.5888112848586851
Energy: 0.5838021403187656
Energy: 0.7421617801751198
Energy: 0.6032266862608122
Energy: 0.673866655959617
Energy: 0.6032266862618479
Energy: 0.5877062569305009
Energy: 0.585139334897004
Energy: 0.8293579699742496
Energy: 0.5851393348938965
Energy: 0.5861006700943846
Energy: 0.5837131179244297
Energy: 0.7366226712813583
Energy: 0.5837131179254655
Energy: 0.5857274550262667
Energy: 0.5838733887844675
Energy: 0.7211158201515382
Energy: 0.5838733887844675
Energy: 0.7317594506988008
Energy: 0.5839971795445061
Energy: 0.9142228385716342
Energy: 0.5839971795476137
Energy: 0.6761102063594118
Energy: 0.5832154198424641
Energy: 0.7771868969632203
Energy: 0.583215419841946
Energy: 0.6726316177601546
Energy: 0.5833224088066089
Energy: 0.7544317481390174
Energy: 0.5833224088076449
Energy: 0.6524808074669032
Energy: 0.5798614967264545
Energy: 0.7515508117613806
Energy: 0.5798614967254186
Energy: 0.8328072534742035
Energy: 0.5801506468833614
Energy: 0.5799185621776511
Energy: 0.5801506468843972
Energy: 0.7366018176301207
Energy: 0.5928574142019252
Energy: 0.5801038520512845
Energy: 0.5928574142024432
Energy: 0.6368712237820824
Energy: 0.5795976209542896
Energy: 0.5827067116543313
Energy: 0.5795976209548075
Energy: 0.9126909224244854
Energy: 0.5806390041939458
Energy: 0.5869944525767153
Energy: 0.5806390041949816
Energy: 0.7215493025468063
Energy: 0.5797372901435978
Energy: 0.7385187463688769
Energy: 0.5797372901435978
Energy: 0.6614948571942099
Energy: 0.6929619586963738
Energy: 0.6673233869171225
Energy: 0.6929619586968918
Energy: 0.5869648385928684
Energy: 0.5834129830622367
Energy: 0.7066081315867566
Energy: 0.5834129830612007
Energy: 0.6493922596523943
Energy: 0.6051562456082513
Energy: 0.7343388685987334
Energy: 0.6051562456082513
Energy: 0.6066460966591288
Energy: 0.6051230525244945
Energy: 0.7339689171122199
Energy: 0.6051230525239765
Energy: 0.5838465446478378
Energy: 0.5833466035207632
Energy: 0.7041406764506126
Energy: 0.5833466035217991
Energy: 0.5915426009003437
Energy: 0.5838582222991203
Energy: 0.7476867405213027
Energy: 0.5838582222986024
Energy: 0.7080382468210282
Energy: 0.6024869927939178
Energy: 0.7423116085459858
Energy: 0.6024869927939178
Energy: 0.8288897717646482
Energy: 0.5841336859387722
Energy: 0.5913293526622116
Energy: 0.5841336859387722
Energy: 0.7078225162236308
Energy: 0.5837884659254973
Energy: 0.5841409120904543
Energy: 0.5837884659260152
Energy: 0.7222880032414851
Energy: 0.6035688814041006
Energy: 0.6187771579043826
Energy: 0.6035688814041006

minimum gb energy = 0.5795976209542896 eV
minimum distance =  2.54689294426989 Angstroms
sigma value = 89


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

Energy: 0.9447523451844344
Energy: 0.5575811464940816
Energy: 0.6874265616238652
Energy: 0.5703299725409302
Energy: 0.7463385938494089
Energy: 0.5237619451865854
Energy: 0.6367522243929278
Energy: 0.5237619451865854
Energy: 0.5196636904195897
Energy: 0.5668905152435959
Energy: 0.6540249415582292
Energy: 0.5668905152435959
Energy: 0.5224073067793443
Energy: 0.5233102069450316
Energy: 0.6544712883702387
Energy: 0.5233102069450316
Energy: 0.5242249530771125
Energy: 0.5563105451014564
Energy: 0.6529834283261882
Energy: 0.5563105451014564
Energy: 0.5250733457620865
Energy: 0.5233178963694453
Energy: 0.6520825351377978
Energy: 0.5233178963694453
Energy: 0.5246800624946244
Energy: 0.5232697338166341
Energy: 0.6545114221219162
Energy: 0.5232697338166341
Energy: 0.5237310068631299
Energy: 0.5235540562588924
Energy: 0.7460936421392252
Energy: 0.5235540562588924
Energy: 0.6373840905967921
Energy: 0.6617306026558828
Energy: 0.7460416007587991
Energy: 0.6617306026558828
Energy: 0.7340089814504921
Energy: 0.5661234044630881
Energy: 0.6560853202825242
Energy: 0.5661234044630881
Energy: 0.6572119532347805
Energy: 0.5658049127960871
Energy: 0.519543927843229
Energy: 0.5658049127947319
Energy: 0.6514553522809389
Energy: 0.662763842025994
Energy: 0.5244141157363966
Energy: 0.662763842025994
Energy: 0.6505708183469958
Energy: 0.5234564370222919
Energy: 0.5236132815292768
Energy: 0.5234564370222919
Energy: 0.6544807431407714
Energy: 0.5232695978914623
Energy: 0.5234804029873023
Energy: 0.5232695978914623
Energy: 0.7458196903402446
Energy: 0.5234891385177792
Energy: 0.5234457519370809
Energy: 0.5234891385177792

minimum gb energy = 0.519543927843229 eV
minimum distance =  2.56804537023826 Angstroms
sigma value = 13


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

Energy: 0.8381330037402077
Energy: 0.5303442535546383
Energy: 0.6795288754602938
Energy: 0.5303442535546383
Energy: 0.7231555905876763
Energy: 0.513665749548976
Energy: 0.5927003023239862
Energy: 0.513665749548976
Energy: 0.7270929416353198
Energy: 0.5135119124397701
Energy: 0.5934228982159507
Energy: 0.5135119124386341
Energy: 0.6651437006694779
Energy: 0.6464508889085605
Energy: 0.5677454107687507
Energy: 0.6464508889108325
Energy: 0.5834426346498539
Energy: 0.5395782394192625
Energy: 0.7033732714584647
Energy: 0.5395782394198305
Energy: 0.5898720096140747
Energy: 0.5134174035409051
Energy: 0.6966044172205048
Energy: 0.5134174035392012
Energy: 0.5888418363195359
Energy: 0.513613631137067
Energy: 0.810134723516823
Energy: 0.513613631137635
Energy: 0.5295383265876143
Energy: 0.5139757772491682
Energy: 0.7867068046836074
Energy: 0.5139757772486002
Energy: 0.5305133233086926
Energy: 0.5288040861000339
Energy: 0.7871067585200385
Energy: 0.528804086098898
Energy: 0.5167732259268092
Energy: 0.5137113436267527
Energy: 0.7921345672344148
Energy: 0.5137113436250488
Energy: 0.5137869211693523
Energy: 0.5134297968621508
Energy: 0.8378805435767879
Energy: 0.5134297968598788
Energy: 0.6748405376043467
Energy: 0.5139695778219068
Energy: 0.6759335523951767
Energy: 0.5139695778219068
Energy: 0.7024303475295139
Energy: 0.538831373371427
Energy: 0.6958304000724655
Energy: 0.5388313733680189
Energy: 0.6699533678745208
Energy: 0.5137635289278611
Energy: 0.665569541055118
Energy: 0.5137635289250211
Energy: 0.7856733724427313
Energy: 0.5141304963406939
Energy: 0.5696189145777184
Energy: 0.514130496339558
Energy: 0.7855247948500129
Energy: 0.5142108028574283
Energy: 0.5193507607630087
Energy: 0.5142108028574283
Energy: 0.6693362583844971
Energy: 0.513974990737068
Energy: 0.5172004393350584
Energy: 0.513974990737636
Energy: 0.8384134306780674
Energy: 0.5139453281566165
Energy: 0.5211652069310525
Energy: 0.5139453281554806
Energy: 0.849020158214202
Energy: 0.5289692701362788
Energy: 0.5662249902348179
Energy: 0.5289692701374148
Energy: 0.7905237681314421
Energy: 0.514760647877314
Energy: 0.5893216771297448
Energy: 0.514760647877314
Energy: 0.6638398162135822
Energy: 0.5139893298704064
Energy: 0.5859768875631637
Energy: 0.5139893298687024
Energy: 0.6754507959957223
Energy: 0.5377606429532472
Energy: 0.6957961653839357
Energy: 0.5377606429532472
Energy: 0.5941220228080791
Energy: 0.5137398754541781
Energy: 0.7026320868745473
Energy: 0.5137398754513381
Energy: 0.513707034133869
Energy: 0.5133917476364582
Energy: 0.7864568362536254
Energy: 0.5133917476358901
Energy: 0.5669119164130271
Energy: 0.5141243231343091
Energy: 0.7843743969473971
Energy: 0.514124323133173
Energy: 0.5145932461299223
Energy: 0.514148748324023
Energy: 0.784652583315433
Energy: 0.5141487483223189
Energy: 0.5141395706065439
Energy: 0.5135406391438758
Energy: 0.7878421386486087
Energy: 0.5135406391433078
Energy: 0.5140197760209235
Energy: 0.5143006323874474
Energy: 0.7199945614224753
Energy: 0.5143006323851754
Energy: 0.6725217569177174
Energy: 0.5139584406442719
Energy: 0.8499327741458998
Energy: 0.5139584406442719
Energy: 0.5890533858402864
Energy: 0.5403851260132243
Energy: 0.6701917089670564
Energy: 0.5403851260132243
Energy: 0.6693769085785051
Energy: 0.5420064812190847
Energy: 0.6637103925983467
Energy: 0.5420064812185167
Energy: 0.7856853455294027
Energy: 0.5140540036450805
Energy: 0.5646317832262189
Energy: 0.5140540036445125
Energy: 0.7852223397471391
Energy: 0.5142414383649551
Energy: 0.5138710358064222
Energy: 0.5142414383638191
Energy: 0.7446668152045269
Energy: 0.5136264310380075
Energy: 0.5142864958373902
Energy: 0.5136264310385755
Energy: 0.8489750421081407
Energy: 0.5138324950983036
Energy: 0.5183071440450604
Energy: 0.5138324950977357

minimum gb energy = 0.5133917476358901 eV
minimum distance =  2.55523572277871 Angstroms
sigma value = 37


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

Energy: 0.8238841828193075
Energy: 0.5135572206691672
Energy: 0.656248560229238
Energy: 0.5135572206691672
Energy: 0.730547928243267
Energy: 0.48269171856087023
Energy: 0.5855044438284595
Energy: 0.48269171856087023
Energy: 0.7236578014876249
Energy: 0.48207578798679007
Energy: 0.5860313021900355
Energy: 0.48207578798776735
Energy: 0.7740413740251324
Energy: 0.5247860222888933
Energy: 0.5781378016139301
Energy: 0.5247860222888933
Energy: 0.6906630887264659
Energy: 0.5263308613125837
Energy: 0.6669426070381065
Energy: 0.5263308613125837
Energy: 0.531108279035532
Energy: 0.4784983724468341
Energy: 0.7334086340118224
Energy: 0.4784983724468341
Energy: 0.5347490143220559
Energy: 0.4782669575243413
Energy: 0.658329064685807
Energy: 0.4782669575253185
Energy: 0.5383332803210966
Energy: 0.46689444985082873
Energy: 0.839449520322114
Energy: 0.46689444985082873
Energy: 0.5434662484530169
Energy: 0.4723084869322439
Energy: 0.83960352554561
Energy: 0.47230848693322114
Energy: 0.5248253756985386
Energy: 0.46712398500037433
Energy: 0.8529397397804572
Energy: 0.46712398500037433
Energy: 0.5250741198123341
Energy: 0.5246388398979464
Energy: 0.7310245892382172
Energy: 0.5246388398979464
Energy: 0.6214835652543667
Energy: 0.4671386327744935
Energy: 0.7347098154893973
Energy: 0.4671386327744935
Energy: 0.6393838200117521
Energy: 0.4666772121628781
Energy: 0.7234923039192704
Energy: 0.4666772121628781
Energy: 0.620363652677476
Energy: 0.5083680809911579
Energy: 0.7740530834314221
Energy: 0.5083680809901807
Energy: 0.6669426070381065
Energy: 0.5949647705041392
Energy: 0.6583977604075235
Energy: 0.5949647705041392
Energy: 0.7334086340108452
Energy: 0.5073055412848015
Energy: 0.5352028575049801
Energy: 0.5073055412848015
Energy: 0.6908223862258797
Energy: 0.4824581778558116
Energy: 0.5347406160884218
Energy: 0.4824581778558116
Energy: 0.839449520322114
Energy: 0.4826895474220299
Energy: 0.49331154536466876
Energy: 0.4826895474220299
Energy: 0.83960352554561
Energy: 0.483234387063691
Energy: 0.48231551433360254
Energy: 0.483234387063691
Energy: 0.843281496612375
Energy: 0.48287318917862954
Energy: 0.4833577057412978
Energy: 0.48287318917862954

minimum gb energy = 0.4666772121628781 eV
minimum distance =  2.55746000496824 Angstroms
sigma value = 25


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

Energy: 0.9640377788228173
Energy: 0.44481424839352607
Energy: 0.6054223345190078
Energy: 0.4448142483950523
Energy: 0.8780351794262068
Energy: 0.43004826202209745
Energy: 0.5107291379959586
Energy: 0.43004826202209745
Energy: 0.8358481413796371
Energy: 0.42993114678923344
Energy: 0.5094476426021797
Energy: 0.42993114678923344
Energy: 0.6913877833006052
Energy: 0.4302243491362961
Energy: 0.5116976297601172
Energy: 0.4302243491362961
Energy: 0.688041574873938
Energy: 0.5671491225367529
Energy: 0.6916164761649803
Energy: 0.5671491225367529
Energy: 0.6353354127648126
Energy: 0.4640627949583717
Energy: 0.6951500062271939
Energy: 0.46406279496218716
Energy: 0.6335772451094166
Energy: 0.5070992376977376
Energy: 0.6881246382270185
Energy: 0.5070992376977376
Energy: 0.5239967097457553
Energy: 0.4286497924171431
Energy: 0.825958655021307
Energy: 0.42864979241638
Energy: 0.539647740867333
Energy: 0.42802366823208593
Energy: 0.8821303891760384
Energy: 0.428023668232849
Energy: 0.541045197294824
Energy: 0.5076733545892709
Energy: 0.7935608891488773
Energy: 0.5076733545900339
Energy: 0.6474671065335997
Energy: 0.42191946183621354
Energy: 0.823598686183347
Energy: 0.4219194618369766
Energy: 0.47403767569883715
Energy: 0.4281382098791027
Energy: 0.7933369771155078
Energy: 0.4281382098798658
Energy: 0.46687001922899385
Energy: 0.4222722720309749
Energy: 0.9193098289002313
Energy: 0.4222722720317379
Energy: 0.48243559180485635
Energy: 0.422414107574084
Energy: 0.8926703200980892
Energy: 0.422414107574084
Energy: 0.5423596318671356
Energy: 0.4222526021625995
Energy: 0.8391808951823515
Energy: 0.4222526021625995
Energy: 0.5405580879207709
Energy: 0.422645007038742
Energy: 0.835659499751355
Energy: 0.422645007038742
Energy: 0.6115920103543199
Energy: 0.5602194017228551
Energy: 0.83571307572062
Energy: 0.5602194017220921
Energy: 0.5745206988865912
Energy: 0.4608193433946506
Energy: 0.6955737121368238
Energy: 0.4608193433946506
Energy: 0.710693040645371
Energy: 0.5252182168382878
Energy: 0.6330737675382266
Energy: 0.5252182168375247
Energy: 0.7089978271837057
Energy: 0.5323905631933857
Energy: 0.6360334515566959
Energy: 0.5323905631926226
Energy: 0.8243579311166694
Energy: 0.43044009783225723
Energy: 0.5057816983255854
Energy: 0.4304400978276788
Energy: 0.8795043732419406
Energy: 0.4300584680074921
Energy: 0.47502820031412174
Energy: 0.430058468006729
Energy: 0.918795963256587
Energy: 0.43034853023123887
Energy: 0.511343485645815
Energy: 0.4303485302320019
Energy: 0.8251871685633909
Energy: 0.43045782426603213
Energy: 0.435117898479531
Energy: 0.43045782426603213
Energy: 0.8435701832122171
Energy: 0.4300349670623247
Energy: 0.43180235430331404
Energy: 0.4300349670630878
Energy: 0.8342917530511371
Energy: 0.4345861656259628
Energy: 0.4341339385256784
Energy: 0.4345861656259628

minimum gb energy = 0.42191946183621354 eV
minimum distance =  2.55674944325102 Angstroms
sigma value = 41


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

Energy: 0.9925810982047512
Energy: 0.4003252200981708
Energy: 0.5743601478842704
Energy: 0.40401330509225475
Energy: 0.9341128914486538
Energy: 0.3871945699899719
Energy: 0.44956196961221173
Energy: 0.3871945699899719
Energy: 0.8647144294782958
Energy: 0.38725748441591695
Energy: 0.4520050749174784
Energy: 0.38725748441529134
Energy: 0.7644496560009072
Energy: 0.3874384338898928
Energy: 0.4486805844086856
Energy: 0.38743843388801597
Energy: 0.7896904349106033
Energy: 0.5060614904480893
Energy: 0.6140437175641045
Energy: 0.5060614904480893
Energy: 0.7089912743927794
Energy: 0.5115978050934672
Energy: 0.6103876483961662
Energy: 0.5115978050940928
Energy: 0.7058882827762452
Energy: 0.6191935052043114
Energy: 0.6103477152436371
Energy: 0.6191935052043114
Energy: 0.6117436579723742
Energy: 0.5119225925016285
Energy: 0.6565711236588405
Energy: 0.5119225925022541
Energy: 0.5119970901257561
Energy: 0.5070644912906632
Energy: 0.7869815509556846
Energy: 0.5070644912900377
Energy: 0.5112927816053335
Energy: 0.5064835269995261
Energy: 0.7851358656243901
Energy: 0.5064835269989005
Energy: 0.4493735280342261
Energy: 0.38738896697868935
Energy: 0.8781717170725847
Energy: 0.38738896695429076
Energy: 0.45135592960826165
Energy: 0.38685466603795843
Energy: 0.9334004131057418
Energy: 0.38685466603795843
Energy: 0.45478042223036313
Energy: 0.38740137090978666
Energy: 0.929346504642788
Energy: 0.38740137090916105
Energy: 0.38786728635518186
Energy: 0.3877341338709318
Energy: 0.8773695484204143
Energy: 0.38773413387030625
Energy: 0.3888174601504865
Energy: 0.3876664221744967
Energy: 0.8620729889223179
Energy: 0.3876664221744967
Energy: 0.38766404925326214
Energy: 0.38787374225192894
Energy: 0.8586959977898273
Energy: 0.3878737422525545
Energy: 0.4487116432357848
Energy: 0.38773026131704946
Energy: 0.8587559751603251
Energy: 0.38773026131642385
Energy: 0.4680733789865386
Energy: 0.3898666062101618
Energy: 0.8614110462005519
Energy: 0.3898666062164178
Energy: 0.45073907424876297
Energy: 0.38735237545441836
Energy: 0.7117925800160733
Energy: 0.3873523754537928
Energy: 0.6117843675491688
Energy: 0.5060161750374905
Energy: 0.7097912039081336
Energy: 0.5060161750374905
Energy: 0.6558544826175268
Energy: 0.5060476649825117
Energy: 0.7861179187784633
Energy: 0.5060476649819146
Energy: 0.6124435585090564
Energy: 0.6213088290162632
Energy: 0.7054841053295554
Energy: 0.6213088290162632
Energy: 0.7871614115568183
Energy: 0.6171114299301296
Energy: 0.7073739101490281
Energy: 0.6171114299301296
Energy: 0.6570770526605669
Energy: 0.5123334249282796
Energy: 0.6123506166195087
Energy: 0.512333424927654
Energy: 0.7848368547229719
Energy: 0.5067907436771146
Energy: 0.5472641101524758
Energy: 0.5067907436771146
Energy: 0.7842272702134938
Energy: 0.506440585780166
Energy: 0.6116234045124178
Energy: 0.5064405857795404
Energy: 0.7830787422614448
Energy: 0.5054898518296316
Energy: 0.45304957323275347
Energy: 0.5054898518296316
Energy: 0.8608020456898295
Energy: 0.39020461874081747
Energy: 0.4688162684267894
Energy: 0.3902046187414431
Energy: 0.7833430771658315
Energy: 0.38764535913141235
Energy: 0.44990346525740976
Energy: 0.38764535913266357
Energy: 0.7890178978860856
Energy: 0.387960305209246
Energy: 0.38884371570206633
Energy: 0.38796030520862046
Energy: 0.9319129787481308
Energy: 0.38767617411635547
Energy: 0.3888665084008772
Energy: 0.38767617411635547
Energy: 0.8586240937720789
Energy: 0.38757686432533833
Energy: 0.3890538836202525
Energy: 0.3875768643259639

minimum gb energy = 0.38685466603795843 eV
minimum distance =  2.57220789104138 Angstroms
sigma value = 15


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

Energy: 0.8642482053801243
Energy: 0.37392407452983933
Energy: 0.5506354513283498
Energy: 0.37299029580213544
Energy: 0.9725205003204294
Energy: 0.35793932308025883
Energy: 0.4177223293637071
Energy: 0.35793932308025883
Energy: 0.9118246635885996
Energy: 0.36051329323533704
Energy: 0.41305633185660406
Energy: 0.3605132932348071
Energy: 0.8631872404133041
Energy: 0.3598732757150093
Energy: 0.4097044284876259
Energy: 0.3598732757165993
Energy: 0.8487663328323257
Energy: 0.46414387576766747
Energy: 0.551926055092254
Energy: 0.46414387576766747
Energy: 0.7835220326426117
Energy: 0.5667919408359701
Energy: 0.5489811157662989
Energy: 0.5667919408354403
Energy: 0.6393455987416682
Energy: 0.5730547102692426
Energy: 0.6478651719933071
Energy: 0.5730547102687127
Energy: 0.7129603649218594
Energy: 0.5698024903744893
Energy: 0.5825070766958038
Energy: 0.5698024903739592
Energy: 0.6371088820271682
Energy: 0.571405586543533
Energy: 0.7072711565020937
Energy: 0.571405586544063
Energy: 0.6351238755458009
Energy: 0.5691051312631865
Energy: 0.70919002044936
Energy: 0.5691051312637164
Energy: 0.5539758860326839
Energy: 0.46347714234533066
Energy: 0.7678037356470693
Energy: 0.46347714250586475
Energy: 0.4640298033579161
Energy: 0.46339328865775126
Energy: 0.8430286057361959
Energy: 0.4633932886593412
Energy: 0.550682276816702
Energy: 0.4630170196931911
Energy: 0.8463711655488424
Energy: 0.46301701969213116
Energy: 0.41877154671733896
Energy: 0.46300382424492953
Energy: 0.7683960316827787
Energy: 0.46300382424492953
Energy: 0.4263832940798152
Energy: 0.3596866760902455
Energy: 0.9661126047231248
Energy: 0.35968667608971555
Energy: 0.41530505086511743
Energy: 0.3588294109970715
Energy: 0.8473748467355934
Energy: 0.35882941099813137
Energy: 0.367223096508969
Energy: 0.3592143858086608
Energy: 0.8411207183177772
Energy: 0.3592143858065409
Energy: 0.3582859390208622
Energy: 0.35824809817487285
Energy: 0.9059113947508968
Energy: 0.3582480981754028
Energy: 0.35876088561761554
Energy: 0.35905862457639287
Energy: 0.7855877377255553
Energy: 0.35905862457639287
Energy: 0.417079053151288
Energy: 0.3585363782265161
Energy: 0.9039952304797607
Energy: 0.35853637822810597
Energy: 0.4243051381781716
Energy: 0.360261792361548
Energy: 0.9062794322142851
Energy: 0.36026179236207795
Energy: 0.4190156693152183
Energy: 0.46284827552915875
Energy: 0.7770097271003557
Energy: 0.46284827552968877
Energy: 0.5495422101789021
Energy: 0.462786871315626
Energy: 0.7805350204954238
Energy: 0.46278687131615603
Energy: 0.5537158093437772
Energy: 0.46364035744457266
Energy: 0.8437733210241998
Energy: 0.4636403574451026
Energy: 0.5565526291271169
Energy: 0.46337154565597827
Energy: 0.6721537863840513
Energy: 0.46337154565910993
Energy: 0.7103201619534241
Energy: 0.5688410904996383
Energy: 0.7850860656032291
Energy: 0.5688410904996383
Energy: 0.5506550232084234
Energy: 0.5675673993144263
Energy: 0.7082991628375104
Energy: 0.5675673993149561
Energy: 0.7132379580882269
Energy: 0.5656713832347016
Energy: 0.6721639191822243
Energy: 0.5656713832352315
Energy: 0.7123852809583732
Energy: 0.571979810273906
Energy: 0.6442578514896566
Energy: 0.571979810273906
Energy: 0.7097492726118164
Energy: 0.4749704688244782
Energy: 0.5502437457070782
Energy: 0.4749704688239483
Energy: 0.8468601041247249
Energy: 0.46901681813710505
Energy: 0.46388455653158217
Energy: 0.46901681813710505
Energy: 0.7667447309535216
Energy: 0.46298406384511676
Energy: 0.41169790746647356
Energy: 0.4629840638445868
Energy: 0.8468707188834752
Energy: 0.35951053000968825
Energy: 0.41435625236471385
Energy: 0.35951053000968825
Energy: 0.909465239726342
Energy: 0.35799359728596863
Energy: 0.4137910044984008
Energy: 0.35799359728596863
Energy: 0.9619721222432854
Energy: 0.36021841517797804
Energy: 0.5508021137894532
Energy: 0.3602184150265017
Energy: 0.9108218046752097
Energy: 0.3586624877714226
Energy: 0.3635961651842695
Energy: 0.3586624877719526
Energy: 0.9101565369578148
Energy: 0.358854411550431
Energy: 0.3612662058913201
Energy: 0.35885441154937103

minimum gb energy = 0.35793932308025883 eV
minimum distance =  2.57339873412598 Angstroms
sigma value = 85


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

Energy: 0.9265208718052589
Energy: 0.3507476942512735
Energy: 0.32261621612097874
Energy: 0.3486788068847366
Energy: 0.9807303596087079
Energy: 0.3227987881156007
Energy: 0.3748285210159801
Energy: 0.3227987881156007
Energy: 0.8157566974833578
Energy: 0.3230394319124207
Energy: 0.37017242563715896
Energy: 0.3230394319119611
Energy: 0.7569551353025717
Energy: 0.4163964351281173
Energy: 0.36777797901469456
Energy: 0.4163964351281173
Energy: 0.8740829709862696
Energy: 0.4158229370589081
Energy: 0.49067286615374917
Energy: 0.41582293705844847
Energy: 0.6986687515628529
Energy: 0.5025603501990429
Energy: 0.490351117883192
Energy: 0.5025603501985832
Energy: 0.696520127312682
Energy: 0.5124111699312346
Energy: 0.6320785667920151
Energy: 0.5124111699316942
Energy: 0.7585621525422758
Energy: 0.5126234171299358
Energy: 0.515928277840164
Energy: 0.512623417129476
Energy: 0.6967369904819286
Energy: 0.5246139170699086
Energy: 0.6327404358562521
Energy: 0.5246139170703683
Energy: 0.6967742954356385
Energy: 0.5228533229387257
Energy: 0.7577166206943221
Energy: 0.5228533229387257
Energy: 0.6325948312680404
Energy: 0.5149456705255218
Energy: 0.6750813288938722
Energy: 0.514945670525062
Energy: 0.5693664763348381
Energy: 0.5125178627865532
Energy: 0.7580642055691647
Energy: 0.512517862787013
Energy: 0.6324923537122115
Energy: 0.5129262019303753
Energy: 0.7586563878587304
Energy: 0.5129262019303753
Energy: 0.4897173644337308
Energy: 0.5127626677465985
Energy: 0.6755408871483064
Energy: 0.5127626677465985
Energy: 0.43799724952442537
Energy: 0.416630689927229
Energy: 0.8735454609178005
Energy: 0.416630689927229
Energy: 0.4901563264227405
Energy: 0.41599265567584504
Energy: 0.7560336535453186
Energy: 0.41599265567538535
Energy: 0.36821590146190425
Energy: 0.41613496606043443
Energy: 0.7560602482936254
Energy: 0.41613496606043443
Energy: 0.3804305498139288
Energy: 0.32354339883327343
Energy: 0.9288113508600312
Energy: 0.32354339883327343
Energy: 0.3680360162367846
Energy: 0.3234350128068119
Energy: 0.8707902240884987
Energy: 0.32343501280635234
Energy: 0.3237605548805017
Energy: 0.3233030366088143
Energy: 0.8709592604927318
Energy: 0.3233030366083547
Energy: 0.32355814655687304
Energy: 0.3231816416462138
Energy: 0.9292673446420764
Energy: 0.3231816416462138
Energy: 0.323999222306456
Energy: 0.3231204524251496
Energy: 0.8151065701150925
Energy: 0.32312045242468995
Energy: 0.367944179414763
Energy: 0.32299186928328233
Energy: 0.9259106577375557
Energy: 0.32299186928374196
Energy: 0.3699367461418749
Energy: 0.3240370610519093
Energy: 0.9293712155104176
Energy: 0.3240370610519093
Energy: 0.3677420027522919
Energy: 0.3229920264644808
Energy: 0.7563695331540503
Energy: 0.322992026466779
Energy: 0.49007871786537305
Energy: 0.4158561072650757
Energy: 0.8732783420904305
Energy: 0.41585610726461614
Energy: 0.49020481992236403
Energy: 0.41635417978256384
Energy: 0.8186796719341104
Energy: 0.41635417978256384
Energy: 0.49016651215939316
Energy: 0.42915597458254506
Energy: 0.7572458173720548
Energy: 0.4291559745830047
Energy: 0.6329150503474905
Energy: 0.5128369155875839
Energy: 0.7583640120206042
Energy: 0.5128369155875839
Energy: 0.6333024633982883
Energy: 0.5152537752855649
Energy: 0.6979542457741671
Energy: 0.5152537752855649
Energy: 0.6328495399228683
Energy: 0.5218802397932142
Energy: 0.5647429682026973
Energy: 0.5218802397927546
Energy: 0.632384508458811
Energy: 0.5220167654610737
Energy: 0.6326680761030983
Energy: 0.5220167654610737
Energy: 0.7602477606512449
Energy: 0.5147933753828443
Energy: 0.5651666213118216
Energy: 0.5147933753828443
Energy: 0.7586287617737116
Energy: 0.5130236271773393
Energy: 0.5657057632354721
Energy: 0.5130236271777989
Energy: 0.6743412418621848
Energy: 0.3237919480877323
Energy: 0.4898043841700643
Energy: 0.32379194807302364
Energy: 0.8733724667134337
Energy: 0.416499314138012
Energy: 0.4904813195301694
Energy: 0.4164993141384717
Energy: 0.8718364832199607
Energy: 0.4158095371183138
Energy: 0.49010495513576247
Energy: 0.41580953711877344
Energy: 0.8411498185482122
Energy: 0.32306191872266116
Energy: 0.36809281016442646
Energy: 0.3230619187244997
Energy: 0.9299912218471287
Energy: 0.32277234375331104
Energy: 0.3697088861675928
Energy: 0.3227723437537707
Energy: 0.8706968811146272
Energy: 0.32317749019102004
Energy: 0.36905733689142006
Energy: 0.32317749019102004
Energy: 0.7558877734426105
Energy: 0.32312237988728276
Energy: 0.32271817179476664
Energy: 0.3231223798845248
Energy: 0.9294933246193505
Energy: 0.3231445002682588
Energy: 0.32331119089332216
Energy: 0.3231445002677991
Energy: 0.8150740779558833
Energy: 0.3233434250492136
Energy: 0.3230522151776357
Energy: 0.3233434250492136

minimum gb energy = 0.32261621612097874 eV
minimum distance =  2.56978490073976 Angstroms
sigma value = 113


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

Energy: 0.011682391239481484
Energy: 0.01225572469566456
Energy: 0.7286767712667853
Energy: 0.01225572469566456
Energy: 0.013439217945893119
Energy: 0.0648849154924006
Energy: 0.5303607638634645
Energy: 0.06488491549275395
Energy: 0.013364337497496404
Energy: 0.06341760425905266
Energy: 0.5291392653994591
Energy: 0.06341760425905266
Energy: 0.013028269530392699
Energy: 0.06285176481778633
Energy: 0.7288308560920027
Energy: 0.06285176481707962
Energy: 0.5288512868176354
Energy: 0.06281140862411855
Energy: 0.5287696007969127
Energy: 0.0628114086237652
Energy: 0.012127482298844413
Energy: 0.06294210085624989
Energy: 0.5289853504624934
Energy: 0.06294210085658361

minimum gb energy = 0.011682391239481484 eV
minimum distance =  2.8279055306059 Angstroms
sigma value = 1