Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.05616620182991
cohesive_energy=3.8004338183679356
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.864152926080479e-20, 1.60919416765692e-19, 2.1455868829537798e-19, 2.62225045333512e-19, 3.0444560399267994e-19, 3.4232746832697596e-19, 3.7646344369097997e-19, 4.07279709069336e-19, 4.35107915025282e-19, 4.60212420703428e-19, 4.828127243026319e-19, 5.0309948484234e-19, 5.212681678718999e-19, 5.37552691179876e-19, 5.52092444133426e-19, 5.64786489604608e-19, 5.7564604282986e-19, 5.848056866464379e-19, 5.923759712420879e-19, 5.98441811978412e-19, 6.030672959207699e-19, 6.063101014279859e-19, 6.082214981523479e-19, 6.088479492162419e-19, 6.0816702414679195e-19, 6.05944805155434e-19, 6.01880083034976e-19, 5.95607561512866e-19, 5.866930507212899e-19, 5.74609434547662e-19, 5.58730261928088e-19, 5.382864880782479e-19, 5.122527199523819e-19, 4.79352022773192e-19, 4.38062328738378e-19, 3.8649146724318597e-19, 3.2221374286373996e-19, 2.42119330753446e-19, 1.4218788908460778e-19, 1.7219553591578398e-20, -1.39558396792887e-19, -3.3773563009393196e-19, -5.902659046151099e-19, -9.14717888236548e-19, -1.3360358689729918e-18, -1.8903281016249e-18, -2.6316552301766996e-18, -3.641891684979059e-18, -5.0515187311049395e-18, -7.07939369675874e-18, -1.010545674892722e-17, -1.484269251150672e-17, -2.2754112556068e-17, -3.7211353412966994e-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: -6.54468460673089e-28 eV

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

Energy: 0.011641779146035966
Energy: 0.012330188794054975
Energy: 0.3544429698782252
Energy: 0.012330188794054975
Energy: 0.012330188793584454
Energy: 0.42449495108363233
Energy: 0.012330188794054975
Energy: 0.42449495108363233
Energy: 0.3544429698782252
Energy: 0.012330188794054975
Energy: 0.011641779146035966
Energy: 0.012330188794054975
Energy: 0.012330188794054975
Energy: 0.42449495108363233
Energy: 0.012330188794054975
Energy: 0.42449495108413055

minimum gb energy = 0.011641779146035966 eV
minimum distance =  2.79709496540219 Angstroms
sigma value = 1


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

Energy: 0.7719040436015634
Energy: 0.5507897777620769
Energy: 0.5780710490652907
Energy: 0.5507897777620769
Energy: 0.5490422124912608
Energy: 0.6056808554646479
Energy: 0.5508953176108763
Energy: 0.6056808554646479
Energy: 0.5766548052648687
Energy: 0.5781694076937121
Energy: 0.8393492501722872
Energy: 0.578169407693108
Energy: 0.5515196510523821
Energy: 0.5498268181098771
Energy: 0.5506818383141803
Energy: 0.5498268181098771
Energy: 0.7212889770706997
Energy: 0.5504904244035939
Energy: 0.5506228368738365
Energy: 0.5504904244035939
Energy: 0.5748058133085114
Energy: 0.5983095497478172
Energy: 0.5509467423495276
Energy: 0.5983095497478172
Energy: 0.5746768448088436
Energy: 0.5744431359420269
Energy: 0.572400968991552
Energy: 0.5744431359420269
Energy: 0.5751135949141162
Energy: 0.5745355360390395
Energy: 0.6092234007650466
Energy: 0.5745355360390395
Energy: 0.6320363207181592
Energy: 0.5868553592108602
Energy: 0.6069526421661782
Energy: 0.5868553592108602
Energy: 0.6209570550764433
Energy: 0.5877960476977122
Energy: 0.5983430342405173
Energy: 0.5877960476983164
Energy: 0.5959865018722957
Energy: 0.5870979296108727
Energy: 0.6328357189068421
Energy: 0.5870979296102685
Energy: 0.5755350313070218
Energy: 0.5859535419023559
Energy: 0.6106957456414178
Energy: 0.5859535419023559
Energy: 0.572184744493409
Energy: 0.5728970581972119
Energy: 0.5518341706080936
Energy: 0.5728970581972119
Energy: 0.5741231606211739
Energy: 0.574333801216873
Energy: 0.5505259673197119
Energy: 0.5743338012162689
Energy: 0.5513788204328058
Energy: 0.5498579364640163
Energy: 0.5500926466014536
Energy: 0.5498579364646204
Energy: 0.575403354040462
Energy: 0.5502028760653921
Energy: 0.5498434747702005
Energy: 0.5502028760653921
Energy: 0.5774550107291473
Energy: 0.57727898598588
Energy: 0.5489151905814479
Energy: 0.5772789859864843
Energy: 0.5497417496795554
Energy: 0.5506727597929036
Energy: 0.5485631429774588
Energy: 0.5506727597935079
Energy: 0.5490313677091647
Energy: 0.5773324082458803
Energy: 0.5783441013642787
Energy: 0.5773324082458803
Energy: 0.5964362399738347
Energy: 0.5506634632109411
Energy: 0.5515688334140774
Energy: 0.5506634632109411
Energy: 0.5512404999668105
Energy: 0.5519278882789357
Energy: 0.5712139468597962
Energy: 0.5519278882789357
Energy: 0.5511863993781267
Energy: 0.5505159355727084
Energy: 0.5743663633726013
Energy: 0.5505159355727084
Energy: 0.5735394953237469
Energy: 0.5742482606976218
Energy: 0.5727437443785147
Energy: 0.5742482606976218
Energy: 0.6099677284006877
Energy: 0.5754978209104341
Energy: 0.5793922056636581
Energy: 0.5754978209104341
Energy: 0.6082934931322687
Energy: 0.5866122635136606
Energy: 0.63178982481002
Energy: 0.5866122635136606
Energy: 0.5988875718357292
Energy: 0.5855469503041519
Energy: 0.6216877089003191
Energy: 0.5855469503041519
Energy: 0.6321053474794591
Energy: 0.5860467939309412
Energy: 0.5941999515932676
Energy: 0.5860467939303369
Energy: 0.6000307054260581
Energy: 0.5854830351319579
Energy: 0.576031450469851
Energy: 0.5854830351319579
Energy: 0.5503591609325601
Energy: 0.5728428957506857
Energy: 0.5726040927107106
Energy: 0.5728428957506857
Energy: 0.5499236882708182
Energy: 0.5750896320853935
Energy: 0.5741089818275402
Energy: 0.5750896320853935
Energy: 0.5503038401269665
Energy: 0.5502169468046699
Energy: 0.5506089268936475
Energy: 0.5502169468040656
Energy: 0.5499450843931402
Energy: 0.5502608914736916
Energy: 0.5736284190365201
Energy: 0.5502608914736916
Energy: 0.548062568627157
Energy: 0.551311102875553
Energy: 0.5782065530019529
Energy: 0.551311102875553

minimum gb energy = 0.548062568627157 eV
minimum distance =  2.60095923939481 Angstroms
sigma value = 1


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

Energy: 0.8820305301002903
Energy: 0.571182572048077
Energy: 0.5997875715539199
Energy: 0.571182572048077
Energy: 0.576003859647994
Energy: 0.630141347845639
Energy: 0.5746025844517766
Energy: 0.630141347845639
Energy: 0.5992268973738956
Energy: 0.6018081076081321
Energy: 0.8111832777627537
Energy: 0.6018081076081321
Energy: 0.5782197261986463
Energy: 0.573261918129988
Energy: 0.5738563805796533
Energy: 0.573261918129988
Energy: 0.5718549565024585
Energy: 0.5729232990959833
Energy: 0.5723907256172857
Energy: 0.5729232990959833
Energy: 0.6080054205136189
Energy: 0.6239667630447803
Energy: 0.5725264985697383
Energy: 0.6239667630447803
Energy: 0.6034501566883512
Energy: 0.6027754922470794
Energy: 0.6048762194639162
Energy: 0.6027754922470794
Energy: 0.6092714046982367
Energy: 0.6040990962474568
Energy: 0.6041183345407686
Energy: 0.6040990962474568
Energy: 0.6067597763505973
Energy: 0.6148575529107714
Energy: 0.6346889114715438
Energy: 0.6148575529107714
Energy: 0.6093163009786323
Energy: 0.616966135577635
Energy: 0.6075689431632465
Energy: 0.616966135577635
Energy: 0.5779462615569861
Energy: 0.6013781733831415
Energy: 0.606557419580214
Energy: 0.6013781733838304
Energy: 0.5753177735113157
Energy: 0.6021417884396578
Energy: 0.6113662711786216
Energy: 0.6021417884396578
Energy: 0.5726049895463797
Energy: 0.5729247376050917
Energy: 0.5739973308560442
Energy: 0.5729247376057806
Energy: 0.5724663622745741
Energy: 0.5730644032005797
Energy: 0.5685514925795674
Energy: 0.5730644032005797
Energy: 0.5676030574722025
Energy: 0.6003500923273707
Energy: 0.5994679596431102
Energy: 0.6003500923273707
Energy: 0.5746374815383822
Energy: 0.573336418446689
Energy: 0.5719250150212583
Energy: 0.573336418446689
Energy: 0.6007747669881028
Energy: 0.6017829487853372
Energy: 0.5704912229573336
Energy: 0.6017829487860261
Energy: 0.5748947386224276
Energy: 0.573782425066053
Energy: 0.6277430963869371
Energy: 0.5737824250653641
Energy: 0.5731838439400357
Energy: 0.5749568991682943
Energy: 0.5751177174504449
Energy: 0.5749568991682943
Energy: 0.6074798783346266
Energy: 0.5736240443598105
Energy: 0.5727775043586276
Energy: 0.5736240443598105
Energy: 0.6029378116242111
Energy: 0.6029826159363586
Energy: 0.6870092653448944
Energy: 0.6029826159363586
Energy: 0.6067515117125369
Energy: 0.6041874241014973
Energy: 0.6031096548248746
Energy: 0.6041874241021863
Energy: 0.6061208963500394
Energy: 0.6149557035095039
Energy: 0.6341527276269019
Energy: 0.614955703508815
Energy: 0.6099882431912876
Energy: 0.6158876705134633
Energy: 0.6065672723731994
Energy: 0.6158876705134633
Energy: 0.5767104056805739
Energy: 0.601369087504245
Energy: 0.6065575871611971
Energy: 0.601369087504245
Energy: 0.5749824794206988
Energy: 0.601869874632764
Energy: 0.610916417437983
Energy: 0.601869874632764
Energy: 0.5726218499416741
Energy: 0.573133864810709
Energy: 0.5741360040593199
Energy: 0.573133864810709
Energy: 0.5725338750016118
Energy: 0.5731950197391599
Energy: 0.5682644677271937
Energy: 0.5731950197391599
Energy: 0.5675595577571254
Energy: 0.5747021597387956
Energy: 0.6005920741084376
Energy: 0.5747021597387956

minimum gb energy = 0.5675595577571254 eV
minimum distance =  2.5971370580399 Angstroms
sigma value = 25


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

Energy: 0.8460984718377087
Energy: 0.5894072135244114
Energy: 0.6242237776397147
Energy: 0.5894072135244114
Energy: 0.6088032159988508
Energy: 0.6540428418286249
Energy: 0.5996555258601861
Energy: 0.6540428418286249
Energy: 0.6240638177644313
Energy: 0.6244647785964519
Energy: 0.5952957852709948
Energy: 0.6244647785964519
Energy: 0.6013537381677938
Energy: 0.5980849570331446
Energy: 0.6002785293519195
Energy: 0.5980849570331446
Energy: 0.5951797931820211
Energy: 0.597757700393531
Energy: 0.6039632659102814
Energy: 0.5977577003927301
Energy: 0.6259260810390083
Energy: 0.6165195182395302
Energy: 0.59877521024076
Energy: 0.6165195182387294
Energy: 0.6263762310186627
Energy: 0.6376422589422239
Energy: 0.6476795704025597
Energy: 0.6376422589422239
Energy: 0.6262381121756894
Energy: 0.6387028467827658
Energy: 0.614023571949097
Energy: 0.6387028467827658
Energy: 0.6513468552709794
Energy: 0.6361772946775213
Energy: 0.6077643775872561
Energy: 0.6361772946775213
Energy: 0.6262703795347624
Energy: 0.6375639693010555
Energy: 0.5986991395103445
Energy: 0.6375639693010555
Energy: 0.5883634961346469
Energy: 0.5978807668447813
Energy: 0.5962611430125031
Energy: 0.5978807668455822
Energy: 0.5868864116653657
Energy: 0.5989248906152299
Energy: 0.5972989635469307
Energy: 0.5989248906152299
Energy: 0.6238346429937737
Energy: 0.6243498788905565
Energy: 0.5867356301575184
Energy: 0.6243498788905565
Energy: 0.598242987206081
Energy: 0.5986544754042576
Energy: 0.6065878558402781
Energy: 0.5986544754050586
Energy: 0.5939046206027777
Energy: 0.6253341509465541
Energy: 0.6265213310569967
Energy: 0.6253341509465541
Energy: 0.6213414164285744
Energy: 0.5981994032191199
Energy: 0.6255267688482002
Energy: 0.5981994032191199
Energy: 0.5992474361703489
Energy: 0.6013354936683208
Energy: 0.5960331440570625
Energy: 0.6013354936675199
Energy: 0.5987267235774956
Energy: 0.5986793402263832
Energy: 0.6022167188027426
Energy: 0.5986793402263832
Energy: 0.6490948321448139
Energy: 0.6386973308520789
Energy: 0.628267411672035
Energy: 0.6386973308520789
Energy: 0.5981635830340403
Energy: 0.6381782021690908
Energy: 0.6265620741303788
Energy: 0.6381782021690908
Energy: 0.6058761875935035
Energy: 0.6363078417178635
Energy: 0.6254687658399084
Energy: 0.6363078417178635
Energy: 0.6068977826064382
Energy: 0.6360164900562287
Energy: 0.6259097080800207
Energy: 0.6360164900562287
Energy: 0.5963870250182356
Energy: 0.5977527698622627
Energy: 0.5876207242769594
Energy: 0.5977527698622627
Energy: 0.5971001319962751
Energy: 0.5989032941303035
Energy: 0.5867965014230951
Energy: 0.5989032941303035
Energy: 0.5858525950000711
Energy: 0.6007092189160211
Energy: 0.6256352790827301
Energy: 0.6007092189160211

minimum gb energy = 0.5858525950000711 eV
minimum distance =  2.59279256429925 Angstroms
sigma value = 9


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

Energy: 0.7901156324526843
Energy: 0.6077564203908373
Energy: 0.6493528080517041
Energy: 0.6077564203908373
Energy: 0.6740886810817694
Energy: 0.6759883924536546
Energy: 0.6289062078308119
Energy: 0.6759883924536546
Energy: 0.6486822362587359
Energy: 0.6496377548855753
Energy: 0.6270827406406936
Energy: 0.6496377548855753
Energy: 0.6301471565426844
Energy: 0.6313274744234277
Energy: 0.6285347191256391
Energy: 0.6313274744224723
Energy: 0.6466813340594822
Energy: 0.6310862497414336
Energy: 0.6282577500116296
Energy: 0.6310862497414336
Energy: 0.6302088551081553
Energy: 0.6304541890877983
Energy: 0.6314466605910887
Energy: 0.6304541890877983
Energy: 0.6465784193180582
Energy: 0.6776404991009815
Energy: 0.6314959008140415
Energy: 0.6776404991009815
Energy: 0.6318373733657848
Energy: 0.6794384860266276
Energy: 0.6299757321116871
Energy: 0.6794384860266276
Energy: 0.6273122173323467
Energy: 0.6304432836530282
Energy: 0.604103216255443
Energy: 0.6304432836530282
Energy: 0.6286018391394671
Energy: 0.630610053531821
Energy: 0.6036663745391998
Energy: 0.630610053531821
Energy: 0.6018319564576359
Energy: 0.6498333718806991
Energy: 0.6484813903063462
Energy: 0.6498333718806991
Energy: 0.6470700835451717
Energy: 0.6304146927872193
Energy: 0.6294177030539831
Energy: 0.6304146927872193
Energy: 0.6495246976640358
Energy: 0.649574532685167
Energy: 0.626631884792262
Energy: 0.649574532685167
Energy: 0.6513576907012855
Energy: 0.6311711178828986
Energy: 0.6445238976184862
Energy: 0.6311711178819432
Energy: 0.6243558661441259
Energy: 0.6357209613634238
Energy: 0.6308941455842559
Energy: 0.6357209613634238
Energy: 0.6314670757437754
Energy: 0.6306512053998284
Energy: 0.6326597105064401
Energy: 0.6306512053998284
Energy: 0.6533194775201635
Energy: 0.6799771282912176
Energy: 0.6313269435088302
Energy: 0.6799771282912176
Energy: 0.6541029584890107
Energy: 0.6753302655781106
Energy: 0.6304770135988578
Energy: 0.6753302655781106
Energy: 0.6271732610146541
Energy: 0.6303890862186815
Energy: 0.6045919918502582
Energy: 0.6303890862186815
Energy: 0.6290327960384429
Energy: 0.6317134486032133
Energy: 0.6034380785891791
Energy: 0.6317134486032133
Energy: 0.6011943423362822
Energy: 0.6363167848735614
Energy: 0.6501899100101295
Energy: 0.6363167848735614

minimum gb energy = 0.6011943423362822 eV
minimum distance =  2.58111573785024 Angstroms
sigma value = 25


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

Energy: 0.7074374695273292
Energy: 0.6228460076627846
Energy: 0.6713546437563519
Energy: 0.6228460076627846
Energy: 0.6774882705750631
Energy: 0.6676088863966744
Energy: 0.6379266087783003
Energy: 0.6676088863978558
Energy: 0.6704939602428216
Energy: 0.6716742323368231
Energy: 0.6179703643121065
Energy: 0.6716742323380047
Energy: 0.6734769302691437
Energy: 0.6681287425314203
Energy: 0.6392998961971216
Energy: 0.6681287425302389
Energy: 0.6323893327698793
Energy: 0.6720106595510481
Energy: 0.6412360578249883
Energy: 0.6720106595510481
Energy: 0.6230325728357453
Energy: 0.6718525895102132
Energy: 0.641118080828413
Energy: 0.6718525895102132
Energy: 0.6173198939954324
Energy: 0.6722115523173932
Energy: 0.6396624598104169
Energy: 0.6722115523173932
Energy: 0.6175707398904503
Energy: 0.6695040893668365
Energy: 0.6421566151181268
Energy: 0.6695040893668365
Energy: 0.6705836605818082
Energy: 0.6723139031019053
Energy: 0.6179093039349784
Energy: 0.6723139031019053
Energy: 0.6724167243950699
Energy: 0.671851957568022
Energy: 0.6170137281944522
Energy: 0.6718519575692035
Energy: 0.6174258288503872
Energy: 0.672406748296949
Energy: 0.6749965400618648
Energy: 0.672406748296949
Energy: 0.6652890959128982
Energy: 0.6707045189930276
Energy: 0.6734839637424986
Energy: 0.6707045189930276
Energy: 0.638110760082791
Energy: 0.6743536147060095
Energy: 0.6626151385280452
Energy: 0.6743536147060095
Energy: 0.6425649013449048
Energy: 0.6737224076567613
Energy: 0.6246084068967097
Energy: 0.6737224076567613
Energy: 0.6426962034861285
Energy: 0.6733102189131027
Energy: 0.6171728659737455
Energy: 0.6733102189142841
Energy: 0.6410781128945763
Energy: 0.6733509604987408
Energy: 0.617501540352654
Energy: 0.6733509604987408
Energy: 0.6168669667849696
Energy: 0.6717416271380953
Energy: 0.6729076925585316
Energy: 0.6717416271380953

minimum gb energy = 0.6168669667849696 eV
minimum distance =  2.58637757895926 Angstroms
sigma value = 17


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

Energy: 0.9995149827532755
Energy: 0.6849670629744312
Energy: 0.7150868735146649
Energy: 0.6849670629751003
Energy: 0.6689926349913594
Energy: 0.6776207642269619
Energy: 0.7098528480573617
Energy: 0.6776207642269619
Energy: 0.659860936897698
Energy: 0.660108633371109
Energy: 0.7116995255245144
Energy: 0.660108633371109
Energy: 0.661921470048126
Energy: 0.6957144542820168
Energy: 0.6748679699370946
Energy: 0.6957144542820168
Energy: 0.675795805824022
Energy: 0.7087966610472873
Energy: 0.6619512921149197
Energy: 0.7087966610472873
Energy: 0.677803248602939
Energy: 0.7023728066805142
Energy: 0.6770675401612712
Energy: 0.702372806679845
Energy: 0.7087020101317116
Energy: 0.6601056141661732
Energy: 0.6584061986800666
Energy: 0.6601056141668423
Energy: 0.71817032200702
Energy: 0.6758923265912297
Energy: 0.6601517879959189
Energy: 0.6758923265912297
Energy: 0.719079232486739
Energy: 0.7179609406896887
Energy: 0.7110952979807953
Energy: 0.7179609406896887
Energy: 0.7178643163476992
Energy: 0.6994763708557996
Energy: 0.7055520024941321
Energy: 0.6994763708557996
Energy: 0.6721505963014134
Energy: 0.6597010962948326
Energy: 0.6453980522416061
Energy: 0.6597010962948326
Energy: 0.7162817757556607
Energy: 0.6659789227157059
Energy: 0.6499745674052382
Energy: 0.6659789227157059
Energy: 0.7118843892926762
Energy: 0.6647092999523507
Energy: 0.6574066231119292
Energy: 0.6647092999523507
Energy: 0.7125753217401734
Energy: 0.6751178346203945
Energy: 0.6452286782365573
Energy: 0.6751178346203945
Energy: 0.7216454578766749
Energy: 0.7141728826450741
Energy: 0.7167533513084425
Energy: 0.7141728826450741
Energy: 0.7179542031426641
Energy: 0.7043101109310291
Energy: 0.7172516995841324
Energy: 0.7043101109310291
Energy: 0.7139175338189756
Energy: 0.6754613830235816
Energy: 0.6610660831804961
Energy: 0.6754613830235816
Energy: 0.7136032124576371
Energy: 0.6753638647808249
Energy: 0.6587554844574106
Energy: 0.6753638647808249
Energy: 0.6817253434641612
Energy: 0.7136316141232318
Energy: 0.6758401730863964
Energy: 0.7136316141232318
Energy: 0.6818505080314956
Energy: 0.7106154057001113
Energy: 0.6765820133599603
Energy: 0.7106154057001113
Energy: 0.6616100985400242
Energy: 0.6764888697931004
Energy: 0.7186525541856523
Energy: 0.6764888697937698
Energy: 0.6599851120900463
Energy: 0.6605511040620111
Energy: 0.7089146839679743
Energy: 0.6605511040620111
Energy: 0.6792213862594582
Energy: 0.697939860263576
Energy: 0.717695497100798
Energy: 0.697939860263576
Energy: 0.7232126249092528
Energy: 0.7177505849768949
Energy: 0.7158934465126797
Energy: 0.7177505849768949
Energy: 0.6482782369657701
Energy: 0.6757873057028506
Energy: 0.7159419182701154
Energy: 0.6757873057028506
Energy: 0.6492965695643546
Energy: 0.6643184937033906
Energy: 0.698411527902482
Energy: 0.6643184937033906
Energy: 0.6479102600237396
Energy: 0.6489445865968051
Energy: 0.7150215553785321
Energy: 0.6489445865974742
Energy: 0.6568298057027886
Energy: 0.6637303972986937
Energy: 0.7133568153880671
Energy: 0.6637303973000319
Energy: 0.651393150431829
Energy: 0.6758595043879622
Energy: 0.681928614812126
Energy: 0.6758595043879622
Energy: 0.7150126245220938
Energy: 0.7175899254846012
Energy: 0.714757677961557
Energy: 0.7175899254846012

minimum gb energy = 0.6452286782365573 eV
minimum distance =  2.62708560047822 Angstroms
sigma value = 53


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

Energy: 0.9053386853434474
Energy: 0.6092801598643649
Energy: 0.6657589120164814
Energy: 0.6092801598643649
Energy: 0.7895107208957272
Energy: 0.6302671271910082
Energy: 0.669388333539508
Energy: 0.6302671271910082
Energy: 0.6652354992532309
Energy: 0.6694030938008232
Energy: 0.6877774951745118
Energy: 0.6694030938008232
Energy: 0.6796571226839898
Energy: 0.630167824809217
Energy: 0.7236985771066045
Energy: 0.630167824809217
Energy: 0.6780605617262105
Energy: 0.6409231418367972
Energy: 0.5897228822006956
Energy: 0.6409231418367972
Energy: 0.7205635831593413
Energy: 0.6319412362073937
Energy: 0.5878405771125321
Energy: 0.6319412362073937
Energy: 0.7318113985014055
Energy: 0.6727485211808863
Energy: 0.6738768489960121
Energy: 0.6727485211808863
Energy: 0.731702378441125
Energy: 0.6310171465447966
Energy: 0.6723968665982886
Energy: 0.6310171465447966
Energy: 0.6661817979944805
Energy: 0.6693766855751414
Energy: 0.6656253582356534
Energy: 0.6693766855751414
Energy: 0.6770524595613159
Energy: 0.6306826348675258
Energy: 0.6688927186404914
Energy: 0.6306826348675258
Energy: 0.6773523277597314
Energy: 0.6327826526917976
Energy: 0.5880560950755369
Energy: 0.6327826526917976
Energy: 0.7209181959978391
Energy: 0.630677705764164
Energy: 0.6006473097080103
Energy: 0.630677705764164
Energy: 0.7321561143068923
Energy: 0.6309332966122226
Energy: 0.6745768559223791
Energy: 0.6309332966122226

minimum gb energy = 0.5878405771125321 eV
minimum distance =  2.64182731904064 Angstroms
sigma value = 9


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

Energy: 0.8885850668378801
Energy: 0.7083877890806008
Energy: 0.7401790235277089
Energy: 0.7083877890806008
Energy: 0.6834314122754185
Energy: 0.6528931180185409
Energy: 0.7460641318292651
Energy: 0.6528931180202513
Energy: 0.6478908245953386
Energy: 0.6495723443862782
Energy: 0.8143717193193367
Energy: 0.6495723443868483
Energy: 0.6490855255615027
Energy: 0.650043973414807
Energy: 0.8445364590540632
Energy: 0.650043973414807
Energy: 0.6532500589329531
Energy: 0.6542252213805025
Energy: 0.8028070605084829
Energy: 0.6542252213805025
Energy: 0.6571158449108327
Energy: 0.6541066443641106
Energy: 0.803088787564246
Energy: 0.6541066443646807
Energy: 0.7944526273813992
Energy: 0.7418691241782361
Energy: 0.7489074576857604
Energy: 0.7418691241782361
Energy: 0.772544040428353
Energy: 0.6511980766779952
Energy: 0.7459961321329186
Energy: 0.6511980766779952
Energy: 0.6883822817041223
Energy: 0.7103861813835882
Energy: 0.7077024283788234
Energy: 0.710386181383018
Energy: 0.6563275413020151
Energy: 0.6526326842842871
Energy: 0.7794641036246659
Energy: 0.652632684283717
Energy: 0.6864328956691507
Energy: 0.6795681032156621
Energy: 0.7376279578648126
Energy: 0.6795681032156621
Energy: 0.6797895891311965
Energy: 0.6796996993612681
Energy: 0.8275448429658738
Energy: 0.6796996993612681
Energy: 0.7705404912851904
Energy: 0.6799344088430168
Energy: 0.6798656807039974
Energy: 0.6799344088430168
Energy: 0.7751609324396107
Energy: 0.6803691593147668
Energy: 0.6759688346020677
Energy: 0.6803691593147668
Energy: 0.7666226177988882
Energy: 0.681495797181322
Energy: 0.6944433800166852
Energy: 0.6814957971807518
Energy: 0.7159911590277994
Energy: 0.7088949233650585
Energy: 0.6945688107894701
Energy: 0.7088949233650585
Energy: 0.744450659967658
Energy: 0.6537670748102647
Energy: 0.6833404143916287
Energy: 0.6537670747949228
Energy: 0.7410500115439468
Energy: 0.7414442459860051
Energy: 0.8355839959376077
Energy: 0.7414442459860051
Energy: 0.7446039653623869
Energy: 0.6523788744112904
Energy: 0.683695882936583
Energy: 0.6523788744112904
Energy: 0.8266073686249118
Energy: 0.6485109233974398
Energy: 0.6484264585860224
Energy: 0.6485109233980099
Energy: 0.7975693398853416
Energy: 0.6507809229740675
Energy: 0.650358223925343
Energy: 0.6507809229746376
Energy: 0.8031637119239593
Energy: 0.6537822484974745
Energy: 0.652824344718344
Energy: 0.6537822484974745
Energy: 0.8029777581068404
Energy: 0.6543919914912942
Energy: 0.6557499054737826
Energy: 0.6543919914912942
Energy: 0.7512701677791762
Energy: 0.7414444178216423
Energy: 0.7686347452410895
Energy: 0.7414444178216423
Energy: 0.7476228568313475
Energy: 0.6506510410944955
Energy: 0.7730107384309901
Energy: 0.6506510410944955
Energy: 0.7065802709773605
Energy: 0.6590433697893952
Energy: 0.6858768648073501
Energy: 0.6590433697893952
Energy: 0.7817091225970864
Energy: 0.6527565463064887
Energy: 0.6571582370659433
Energy: 0.6527565461178243
Energy: 0.745189018652546
Energy: 0.6795900267239443
Energy: 0.688056161210978
Energy: 0.6795900267239443
Energy: 0.8274746657176952
Energy: 0.6803381294413943
Energy: 0.6811276716110436
Energy: 0.6803381294413943
Energy: 0.6849071458760984
Energy: 0.6797434614344344
Energy: 0.7707623065450112
Energy: 0.6797434614344344
Energy: 0.6760541317886276
Energy: 0.6796859885254494
Energy: 0.802129503225351
Energy: 0.6796859885254494
Energy: 0.6927057833724026
Energy: 0.680730620903112
Energy: 0.783472771591265
Energy: 0.6807306209036821
Energy: 0.6945219349548195
Energy: 0.7115571966241506
Energy: 0.7416839968700929
Energy: 0.7115571966241506
Energy: 0.6853803376509141
Energy: 0.654422421005165
Energy: 0.7319855928540308
Energy: 0.6544224210057351
Energy: 0.8321267131935913
Energy: 0.7415910432292182
Energy: 0.7407804665777351
Energy: 0.7415910432292182

minimum gb energy = 0.6478908245953386 eV
minimum distance =  2.62937666335281 Angstroms
sigma value = 73


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

Energy: 0.8952865653968489
Energy: 0.6823613146429689
Energy: 0.7193621007312333
Energy: 0.6823613146429689
Energy: 0.6933313159878515
Energy: 0.6631341517993701
Energy: 0.7203532847181344
Energy: 0.6631341517993701
Energy: 0.6681484227283786
Energy: 0.6621215433993586
Energy: 0.7720178390191916
Energy: 0.6621215434002633
Energy: 0.6594398425477624
Energy: 0.6638115733098227
Energy: 0.8254219111142344
Energy: 0.6638115733098227
Energy: 0.6745966480387454
Energy: 0.6645217914363195
Energy: 0.742798593065008
Energy: 0.6645217914354149
Energy: 0.6699648978797537
Energy: 0.6641630610268605
Energy: 0.7433165431041687
Energy: 0.6641630610268605
Energy: 0.7042362402193223
Energy: 0.7399402821796319
Energy: 0.7422094175247141
Energy: 0.7399402821796319
Energy: 0.703468418368144
Energy: 0.6795852651232349
Energy: 0.7462609474173411
Energy: 0.6795852651241395
Energy: 0.6806235407006593
Energy: 0.6504079404829414
Energy: 0.7756054288829702
Energy: 0.6504079404811323
Energy: 0.6883253625056099
Energy: 0.719205074905566
Energy: 0.7780799364588877
Energy: 0.719205074905566
Energy: 0.6768873922424841
Energy: 0.6745746026279741
Energy: 0.6449412796125722
Energy: 0.6745746026279741
Energy: 0.6708863672824198
Energy: 0.645127736494558
Energy: 0.8121205815867718
Energy: 0.645127736494558
Energy: 0.7700591639488822
Energy: 0.6761415662977498
Energy: 0.6908717041078412
Energy: 0.6761415662977498
Energy: 0.7526352096545169
Energy: 0.6468818708671434
Energy: 0.6877260772498426
Energy: 0.6468818708680276
Energy: 0.7564914964247815
Energy: 0.6914785650314982
Energy: 0.6861759032614422
Energy: 0.6914785650314982
Energy: 0.7685703976727389
Energy: 0.6807862123062609
Energy: 0.678290299600512
Energy: 0.6807862123062609
Energy: 0.770678266907985
Energy: 0.6975635545966719
Energy: 0.691829072125695
Energy: 0.6975635545966719
Energy: 0.7236231676297041
Energy: 0.7215946635658184
Energy: 0.7706853694261906
Energy: 0.7215946635658184
Energy: 0.7305715289628341
Energy: 0.6980652625776889
Energy: 0.7035731683133987
Energy: 0.6980652625776889
Energy: 0.762034499489232
Energy: 0.6996320540724117
Energy: 0.7403870437978805
Energy: 0.6996320540724117
Energy: 0.7487140901216811
Energy: 0.709359104132159
Energy: 0.6908142332694146
Energy: 0.709359104132159
Energy: 0.7768609742422818
Energy: 0.6967557628385108
Energy: 0.7202631648025851
Energy: 0.6967557628385108

minimum gb energy = 0.6449412796125722 eV
minimum distance =  2.60023231618859 Angstroms
sigma value = 7


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

Energy: 0.9656403829012399
Energy: 0.6791668353398205
Energy: 0.725869787135659
Energy: 0.6791668353398205
Energy: 0.7246060311906629
Energy: 0.6655282474057989
Energy: 0.7289887564065098
Energy: 0.6655282474057989
Energy: 0.6630105397670931
Energy: 0.6787592046799685
Energy: 0.7394916517870217
Energy: 0.6787592046799685
Energy: 0.657590225329577
Energy: 0.680097545174059
Energy: 0.7909918409700616
Energy: 0.680097545174059
Energy: 0.6618782565926256
Energy: 0.6650194389512959
Energy: 0.7900516044277566
Energy: 0.6650194389519355
Energy: 0.6653575540411916
Energy: 0.6837735346998562
Energy: 0.7894980132951783
Energy: 0.6837735346998562
Energy: 0.7477037997192584
Energy: 0.6632157545063067
Energy: 0.6655053245814401
Energy: 0.6632157545063067
Energy: 0.7242896104773705
Energy: 0.6800023459581735
Energy: 0.6638088829601669
Energy: 0.6800023459581735
Energy: 0.72795139865509
Energy: 0.6646189261414764
Energy: 0.662081812740254
Energy: 0.6646189261414764
Energy: 0.8102503615575779
Energy: 0.682169107785172
Energy: 0.6643008748154018
Energy: 0.682169107785172
Energy: 0.7391629868486287
Energy: 0.6635921235087531
Energy: 0.6608575372470253
Energy: 0.6635921235087531
Energy: 0.7229066735167031
Energy: 0.7222184428894101
Energy: 0.7439465393103148
Energy: 0.7222184428887704
Energy: 0.7282804482649832
Energy: 0.6640705974106338
Energy: 0.7375334255785366
Energy: 0.6640705974099942
Energy: 0.7331989894361406
Energy: 0.694418095004366
Energy: 0.6681882979910333
Energy: 0.694418095004366
Energy: 0.7367453609314617
Energy: 0.6653040875559133
Energy: 0.6667370166455111
Energy: 0.6653040875559133
Energy: 0.667383700640946
Energy: 0.7252694316093377
Energy: 0.7219011333022981
Energy: 0.7252694316093377
Energy: 0.6672759329187875
Energy: 0.6641924588950507
Energy: 0.7298770475581776
Energy: 0.6641924588956905
Energy: 0.665385620705681
Energy: 0.6826659891762896
Energy: 0.7387870641196437
Energy: 0.6826659891762896
Energy: 0.6618781232864487
Energy: 0.6643042628623433
Energy: 0.7284402498448019
Energy: 0.6643042628623433
Energy: 0.6636711490834832
Energy: 0.6871266123528819
Energy: 0.6699876219683873
Energy: 0.6871266123528819
Energy: 0.6646031615563122
Energy: 0.6643276246832698
Energy: 0.7915648016405953
Energy: 0.6643276246845489
Energy: 0.7226869485056051
Energy: 0.6827600672839231
Energy: 0.6639796896335067
Energy: 0.6827600672839231
Energy: 0.7228218917484166
Energy: 0.6612487903628484
Energy: 0.6631169175552656
Energy: 0.6612487903628484
Energy: 0.7514562080797427
Energy: 0.6675652726235042
Energy: 0.6584660228225319
Energy: 0.6675652726235042
Energy: 0.7992550632166117
Energy: 0.6781509745146864
Energy: 0.6612456210162961
Energy: 0.6781509745146864
Energy: 0.7890555769453036
Energy: 0.6654209288630852
Energy: 0.6702352444969852
Energy: 0.6654209288630852
Energy: 0.726164426403585
Energy: 0.7249176491982834
Energy: 0.8869139084037132
Energy: 0.7249176491982834
Energy: 0.7277402976520013
Energy: 0.6644995438144498
Energy: 0.7371575468603265
Energy: 0.6644995438144498
Energy: 0.7369997104818641
Energy: 0.6971320385284803
Energy: 0.7270926233801416
Energy: 0.6971320385284803
Energy: 0.7364008088317502
Energy: 0.7266800097922057
Energy: 0.6681605489567297
Energy: 0.7266800097915661
Energy: 0.6749841741745983
Energy: 0.7275276655250218
Energy: 0.72118069454628
Energy: 0.7275276655250218

minimum gb energy = 0.657590225329577 eV
minimum distance =  2.58514549163626 Angstroms
sigma value = 29


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

Energy: 0.6197896186963935
Energy: 0.625808110901728
Energy: 0.6643233723779772
Energy: 0.625808110901728
Energy: 0.617936230044069
Energy: 0.6355557439172379
Energy: 0.6483695463502412
Energy: 0.6355557439170152
Energy: 0.6343542488010284
Energy: 0.6277066165807302
Energy: 0.621449336955155
Energy: 0.6277066165898898
Energy: 0.624389953202399
Energy: 0.6314801122045625
Energy: 0.6325586033584691
Energy: 0.6314801121971604
Energy: 0.6214253702778207
Energy: 0.6295644487576054
Energy: 0.6160526395099939
Energy: 0.6295644487573826
Energy: 0.6321898585949468
Energy: 0.629823665527538
Energy: 0.6170144462499325
Energy: 0.6298236655488774
Energy: 0.6151997381003962
Energy: 0.6265821560784979
Energy: 0.6327612886149022
Energy: 0.6265821561268456
Energy: 0.6490280283781649
Energy: 0.6323748934446531
Energy: 0.6226780798992771
Energy: 0.6323748934448511
Energy: 0.617849704394473
Energy: 0.630003805786471
Energy: 0.6292635014887664
Energy: 0.6300038057866938

minimum gb energy = 0.6151997381003962 eV
minimum distance =  2.62360318099898 Angstroms
sigma value = 5


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

Energy: 0.8073786679145615
Energy: 0.6504037362869812
Energy: 0.6417145134996542
Energy: 0.6504037362875853
Energy: 0.6239532662853132
Energy: 0.6387932156792475
Energy: 0.7158940301968418
Energy: 0.6387932156792475
Energy: 0.7166009358856809
Energy: 0.6858960635712856
Energy: 0.7281133136884365
Energy: 0.6858960635712856
Energy: 0.6548895045427369
Energy: 0.6866013705198037
Energy: 0.6854146828193999
Energy: 0.6866013705198037
Energy: 0.6750813961143581
Energy: 0.6407497370249432
Energy: 0.7132469264909087
Energy: 0.6407497370249432
Energy: 0.6503322663630139
Energy: 0.6399871714726881
Energy: 0.7123724039968672
Energy: 0.6399871714726881
Energy: 0.6378337326534371
Energy: 0.6387614020275362
Energy: 0.6840102960176796
Energy: 0.6387614020275362
Energy: 0.6413220094127277
Energy: 0.638358387052121
Energy: 0.8010863461330707
Energy: 0.6383583870527253
Energy: 0.6439293831556007
Energy: 0.6540707077774965
Energy: 0.7729718621644726
Energy: 0.6540707077774965
Energy: 0.7301237552114982
Energy: 0.6260456624826557
Energy: 0.6230891927999191
Energy: 0.6260456624820516
Energy: 0.6444156552676257
Energy: 0.6185463869386312
Energy: 0.6185117839494991
Energy: 0.6185463869386312
Energy: 0.6178744612571176
Energy: 0.6205848957096672
Energy: 0.6178660791849776
Energy: 0.6205848957096672
Energy: 0.6162258286455723
Energy: 0.618883662845144
Energy: 0.623055019488672
Energy: 0.618883662845144
Energy: 0.6374396753021857
Energy: 0.6391739119003511
Energy: 0.7241801197788593
Energy: 0.6391739119003511
Energy: 0.6367228085347099
Energy: 0.6403036187304855
Energy: 0.7153070769124114
Energy: 0.6403036187298812
Energy: 0.6378466330408732
Energy: 0.6379089308569256
Energy: 0.695053054999344
Energy: 0.6379089308569256
Energy: 0.6382698163451326
Energy: 0.6548914980856826
Energy: 0.6540401137573829
Energy: 0.6548914980862869
Energy: 0.7152033631053661
Energy: 0.6386929378452963
Energy: 0.6254162188469391
Energy: 0.6386929378446923
Energy: 0.7296462370042793
Energy: 0.6869773407254057
Energy: 0.7159800877580224
Energy: 0.6869773407254057
Energy: 0.6576880435669025
Energy: 0.6917093858925326
Energy: 0.6546826081743922
Energy: 0.6917093858925326
Energy: 0.7121364955560772
Energy: 0.6400757981400709
Energy: 0.682998767687664
Energy: 0.6400757981394668
Energy: 0.7124057812185386
Energy: 0.6495430881938017
Energy: 0.6524168930839732
Energy: 0.6495430881938017
Energy: 0.6735150449613226
Energy: 0.6381159931527213
Energy: 0.6369996950890194
Energy: 0.6381159931527213
Energy: 0.7819981578173697
Energy: 0.637880494175977
Energy: 0.6395482993561171
Energy: 0.637880494175977
Energy: 0.7768173554046136
Energy: 0.6534478584541119
Energy: 0.6952738305302267
Energy: 0.6534478584547162
Energy: 0.6230925626563051
Energy: 0.6314245961089666
Energy: 0.7303232591381863
Energy: 0.6314245961089666
Energy: 0.6212877858273689
Energy: 0.619204517276684
Energy: 0.6458916006869979
Energy: 0.6192045172760797
Energy: 0.6261570139150765
Energy: 0.6199399137110827
Energy: 0.6613047221772169
Energy: 0.6199399137110827
Energy: 0.622936340150916
Energy: 0.6668819206697814
Energy: 0.6231524447873653
Energy: 0.6668819211493023
Energy: 0.7167019567808117
Energy: 0.654513074337021
Energy: 0.6423696578274968
Energy: 0.654513074337021
Energy: 0.7164038865093206
Energy: 0.6388065791713795
Energy: 0.6375018877490395
Energy: 0.6388065791713795
Energy: 0.7374299081782328
Energy: 0.6376335187057696
Energy: 0.6385233839223701
Energy: 0.6376335187057696
Energy: 0.6545623854411595
Energy: 0.6462265127716181
Energy: 0.6407195814596502
Energy: 0.646226512771014

minimum gb energy = 0.6162258286455723 eV
minimum distance =  2.61066562500549 Angstroms
sigma value = 1


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

Energy: 0.8404409732551548
Energy: 0.5982897507896611
Energy: 0.6843630274765752
Energy: 0.5982897507896611
Energy: 0.6313446840227903
Energy: 0.611922188310783
Energy: 0.6251718371215679
Energy: 0.611922188310783
Energy: 0.6249808661578766
Energy: 0.6722988799095377
Energy: 0.6259216550416525
Energy: 0.6722988799095377
Energy: 0.6283800990961245
Energy: 0.6728203514456155
Energy: 0.6367686906274002
Energy: 0.6728203514456155
Energy: 0.6377489095319786
Energy: 0.6170156897372773
Energy: 0.632201412356991
Energy: 0.6170156897372773
Energy: 0.624071578680717
Energy: 0.6162707024026227
Energy: 0.6323561481981429
Energy: 0.6162707024026227
Energy: 0.6088034544199176
Energy: 0.6110567704463186
Energy: 0.624983255256875
Energy: 0.6110567704463186
Energy: 0.6125156989810396
Energy: 0.6125720979536596
Energy: 0.5879882732000105
Energy: 0.6125720979544951
Energy: 0.6366594272512285
Energy: 0.6383044846648119
Energy: 0.5895282439317608
Energy: 0.6383044846648119
Energy: 0.7327125694769119
Energy: 0.6125191753248955
Energy: 0.6126647403525205
Energy: 0.6125191753248955
Energy: 0.6366265767026885
Energy: 0.6111910395662032
Energy: 0.6096148841536989
Energy: 0.6111910395662032
Energy: 0.5924199184713643
Energy: 0.6142475758828403
Energy: 0.621647334854072
Energy: 0.6142475758828403
Energy: 0.5880072807451204
Energy: 0.6113015308790993
Energy: 0.636516472171386
Energy: 0.6113015308790993
Energy: 0.6365544292830315
Energy: 0.6724206536742289
Energy: 0.6250852049942606
Energy: 0.6724206536742289
Energy: 0.630410440514688
Energy: 0.6715437221896989
Energy: 0.6243400933930975
Energy: 0.6715437221896989
Energy: 0.6322427604437516
Energy: 0.6120159900331273
Energy: 0.6178845648881824
Energy: 0.6120159900331273
Energy: 0.6369214035889564
Energy: 0.6117632003322151
Energy: 0.6335012655498077
Energy: 0.6117632003322151
Energy: 0.6138125981554323
Energy: 0.6123815406074673
Energy: 0.6341612594997068
Energy: 0.6123815406074673
Energy: 0.6099641609861945
Energy: 0.6122937261878776
Energy: 0.589886059615017
Energy: 0.6122937261878776
Energy: 0.613417322469209
Energy: 0.6234534012335996
Energy: 0.5873855007580155
Energy: 0.6234534012335996
Energy: 0.6337204940847659
Energy: 0.6402220290541701
Energy: 0.6181643697723312
Energy: 0.6402220290541701
Energy: 0.6339411614873537
Energy: 0.6115772327424979
Energy: 0.6127868403137302
Energy: 0.6115772327424979
Energy: 0.6110369088385835
Energy: 0.6105760567985838
Energy: 0.6093559844942829
Energy: 0.6105760567985838
Energy: 0.5873992016329465
Energy: 0.6112820870916175
Energy: 0.6234801986961565
Energy: 0.6112820870916175

minimum gb energy = 0.5873855007580155 eV
minimum distance =  2.59571027532541 Angstroms
sigma value = 17


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

Energy: 0.8848965783069275
Energy: 0.6064742217370936
Energy: 0.6912030116431024
Energy: 0.6064742217376101
Energy: 0.633083510268859
Energy: 0.611122798253523
Energy: 0.685376079928215
Energy: 0.6111227982540395
Energy: 0.7408550856432096
Energy: 0.6881588212125347
Energy: 0.6839056414581384
Energy: 0.688158821213051
Energy: 0.7442683247995079
Energy: 0.6926740110418486
Energy: 0.6950348329931322
Energy: 0.6926740110418486
Energy: 0.6811232687933279
Energy: 0.5990343359583263
Energy: 0.6799099603847893
Energy: 0.5990343359583263
Energy: 0.6044071975226574
Energy: 0.5992928505762327
Energy: 0.6865107246612107
Energy: 0.5992928505762327
Energy: 0.5964816457239284
Energy: 0.5962040135775649
Energy: 0.643606285981031
Energy: 0.5962040135775649
Energy: 0.6011270809298713
Energy: 0.5967710853120427
Energy: 0.6041675164588851
Energy: 0.5967710853037812
Energy: 0.6862853245208616
Energy: 0.5984227471076143
Energy: 0.7403412938536397
Energy: 0.5984227471081307
Energy: 0.6836276799821702
Energy: 0.6868441126935957
Energy: 0.6863845119074561
Energy: 0.6868441126935957
Energy: 0.6831990742757739
Energy: 0.6887533154890059
Energy: 0.6202897122596884
Energy: 0.6887533154890059
Energy: 0.6810825439336321
Energy: 0.6127896026193262
Energy: 0.692188255640653
Energy: 0.6127896026193262
Energy: 0.6828679190100448
Energy: 0.617569373881569
Energy: 0.6253014143253817
Energy: 0.617569373881569
Energy: 0.630404768215296
Energy: 0.6094526121252767
Energy: 0.610047996006975
Energy: 0.6094526121252767
Energy: 0.741461803377606
Energy: 0.6102014659147197
Energy: 0.6137714529835453
Energy: 0.6102014659147197
Energy: 0.6187806498088285
Energy: 0.6125474367896662
Energy: 0.6106263860351796
Energy: 0.6125474367896662
Energy: 0.628792463355242
Energy: 0.6126925709972281
Energy: 0.6939833663884313
Energy: 0.6126925709967117
Energy: 0.6127773491738513
Energy: 0.6106287674752668
Energy: 0.6844582089512287
Energy: 0.6106287674752668
Energy: 0.6156715411445781
Energy: 0.6106833307704232
Energy: 0.744746048184692
Energy: 0.6106833307704232
Energy: 0.6267035254563139
Energy: 0.6831315181134479
Energy: 0.6084422090887455
Energy: 0.683131518123775
Energy: 0.6854282585699184
Energy: 0.6110946237918581
Energy: 0.6230889397864365
Energy: 0.6110946237923744
Energy: 0.6841554224363082
Energy: 0.6880374805287078
Energy: 0.7420455660329834
Energy: 0.6880374805287078
Energy: 0.6436772027508642
Energy: 0.6388044251990401
Energy: 0.7428303476378908
Energy: 0.6388044251990401
Energy: 0.683847422344769
Energy: 0.5965175549511593
Energy: 0.6792573351019618
Energy: 0.5965175549511593
Energy: 0.6834026818091249
Energy: 0.5979028759977693
Energy: 0.6016383094299798
Energy: 0.5979028759972529
Energy: 0.6930731335389825
Energy: 0.5971301322363463
Energy: 0.5985776996259744
Energy: 0.5971301322368626
Energy: 0.6065255337166874
Energy: 0.5979200085242756
Energy: 0.6024229844824833
Energy: 0.5979200085232429
Energy: 0.6981718328913262
Energy: 0.5977341081614999
Energy: 0.6894181475860681
Energy: 0.5977341081614999
Energy: 0.6846934604128035
Energy: 0.6866530326261423
Energy: 0.6827803533346747
Energy: 0.6866530326261423
Energy: 0.6208905440396182
Energy: 0.6894732901091571
Energy: 0.6814951253841749
Energy: 0.6894732901091571
Energy: 0.693148115383986
Energy: 0.612577205645816
Energy: 0.681644865228597
Energy: 0.6125772058006284
Energy: 0.6222827992221344
Energy: 0.6190249054904233
Energy: 0.6827519497254066
Energy: 0.6190249054904233
Energy: 0.6091315934967249
Energy: 0.609179525251531
Energy: 0.6105091382254817
Energy: 0.6091795252520472
Energy: 0.6165980590399479
Energy: 0.6112232491375813
Energy: 0.7427692312011406
Energy: 0.6112232491370649
Energy: 0.6120035428759206
Energy: 0.6270082456125629
Energy: 0.6122080633674607
Energy: 0.6270082456130792
Energy: 0.8167237407240012
Energy: 0.61223372865405
Energy: 0.6191362899084537
Energy: 0.61223372865405
Energy: 0.6854457849497864
Energy: 0.6098824698914693
Energy: 0.6102317050096759
Energy: 0.6098824698914693
Energy: 0.7412910463840964
Energy: 0.6116341116396271
Energy: 0.6254811541370169
Energy: 0.6116341116396271

minimum gb energy = 0.5962040135775649 eV
minimum distance =  2.59482063596355 Angstroms
sigma value = 89


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

Energy: 0.9035278669286125
Energy: 0.576895621354619
Energy: 0.5643500067231074
Energy: 0.576895621354619
Energy: 0.5552026909403784
Energy: 0.6090853945884837
Energy: 0.5704199480764236
Energy: 0.6090853945884837
Energy: 0.5539962832851615
Energy: 0.6090089440390529
Energy: 0.5725019196615295
Energy: 0.6090089440390529
Energy: 0.5548220035120018
Energy: 0.6100451138243062
Energy: 0.5601011358968733
Energy: 0.6100451138243062
Energy: 0.5744937812159634
Energy: 0.563572919080251
Energy: 0.5874804781824103
Energy: 0.563572919080251
Energy: 0.5611075102814317
Energy: 0.5624816090963328
Energy: 0.587697394002022
Energy: 0.5624816090963328
Energy: 0.558291756155811
Energy: 0.557897056071404
Energy: 0.5603705216226329
Energy: 0.557897056071404
Energy: 0.5613292971242748
Energy: 0.5610810304555218
Energy: 0.5537564748005188
Energy: 0.5610810304555218
Energy: 0.5602512418380063
Energy: 0.5602205507844675
Energy: 0.5564457258659179
Energy: 0.5602205507844675
Energy: 0.574283878804031
Energy: 0.6119163952036756
Energy: 0.5728923364583123
Energy: 0.6119163952036756
Energy: 0.5606818227496508
Energy: 0.6111246745815486
Energy: 0.5527289108777207
Energy: 0.6111246745815486
Energy: 0.5875742202223609
Energy: 0.5614448787626867
Energy: 0.5714177844234444
Energy: 0.5614448787626867
Energy: 0.5654546226121239
Energy: 0.5593966528155341
Energy: 0.5612185503008351
Energy: 0.5593966528155341
Energy: 0.5603650238182711
Energy: 0.5578226796885629
Energy: 0.557535841718919
Energy: 0.5578226796885629
Energy: 0.5628135576123626
Energy: 0.5593680450589721
Energy: 0.5617712284858584
Energy: 0.5593680450589721

minimum gb energy = 0.5527289108777207 eV
minimum distance =  2.61334268337209 Angstroms
sigma value = 13


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

Energy: 0.8107873836103154
Energy: 0.5429575654120894
Energy: 0.6539623991433913
Energy: 0.5429575654120894
Energy: 0.5476837255771435
Energy: 0.5394649664934218
Energy: 0.6082251187040988
Energy: 0.5394649664934218
Energy: 0.5519545860505933
Energy: 0.5381819102556825
Energy: 0.606644773081899
Energy: 0.5381819102556825
Energy: 0.664788626249274
Energy: 0.5465183939341389
Energy: 0.6147951679839683
Energy: 0.5465183939335726
Energy: 0.6183198926021096
Energy: 0.5398971094496927
Energy: 0.6164583289594286
Energy: 0.5398971094496927
Energy: 0.6075601289707915
Energy: 0.5391032319179878
Energy: 0.614508058704303
Energy: 0.5391032319179878
Energy: 0.6050356780376129
Energy: 0.5378780794780624
Energy: 0.6083059465904649
Energy: 0.5378780794780624
Energy: 0.5488083452770119
Energy: 0.539490473331254
Energy: 0.6151602684276387
Energy: 0.539490473331254
Energy: 0.5430968420141186
Energy: 0.5400137540968042
Energy: 0.6159502074836304
Energy: 0.5400137540968042
Energy: 0.5411400358341895
Energy: 0.5387525430776143
Energy: 0.6187339919345449
Energy: 0.5387525430776143
Energy: 0.5385588384710656
Energy: 0.542771979393403
Energy: 0.8118572374846096
Energy: 0.5427719793939694
Energy: 0.6152673257074521
Energy: 0.5375241059657175
Energy: 0.6189140033495715
Energy: 0.5375241059651512
Energy: 0.6183736492845754
Energy: 0.5664692616206575
Energy: 0.6142831219897791
Energy: 0.5664692616206575
Energy: 0.6145502295403439
Energy: 0.5678621144870344
Energy: 0.6659388984527927
Energy: 0.5678621144870344
Energy: 0.6129976837715944
Energy: 0.5395917619979834
Energy: 0.613971192747882
Energy: 0.5395917619979834
Energy: 0.6105296885317761
Energy: 0.5381268485803757
Energy: 0.5408252973518392
Energy: 0.5381268485803757
Energy: 0.6138647108345364
Energy: 0.5389922677743102
Energy: 0.5395393019068561
Energy: 0.5389922677743102
Energy: 0.8047484697629342
Energy: 0.5398140518244303
Energy: 0.5437890859538714
Energy: 0.5398140518317919
Energy: 0.6693823714489996
Energy: 0.5405447660032539
Energy: 0.6165107931463661
Energy: 0.5405447660032539
Energy: 0.6180994702639178
Energy: 0.5377063956861526
Energy: 0.6042961869827046
Energy: 0.5377063956861526
Energy: 0.6650615427774673
Energy: 0.5407654753054084
Energy: 0.6107320064841831
Energy: 0.5407654753048422
Energy: 0.6176328056976899
Energy: 0.5751787520391091
Energy: 0.6140139507480974
Energy: 0.5751787520391091
Energy: 0.6115516187357148
Energy: 0.5409754014397741
Energy: 0.6152753216993556
Energy: 0.5409754014397741
Energy: 0.5420046682826953
Energy: 0.5379647809354695
Energy: 0.615140972523117
Energy: 0.5379647809360357
Energy: 0.6108179342500705
Energy: 0.5381259340085702
Energy: 0.607484769417453
Energy: 0.5381259340091366
Energy: 0.5480222401283217
Energy: 0.5412547980205997
Energy: 0.6046491346451514
Energy: 0.5412547980205997
Energy: 0.5378888414313124
Energy: 0.5379935679730963
Energy: 0.6180344483172512
Energy: 0.53799356797253
Energy: 0.5491767872153418
Energy: 0.5415369236727321
Energy: 0.5529383706298672
Energy: 0.5415369236721659
Energy: 0.6139619839715325
Energy: 0.5394946029055357
Energy: 0.6712399072101668
Energy: 0.5394946029055357
Energy: 0.6034046784125036
Energy: 0.5686613300195235
Energy: 0.6132004290571099
Energy: 0.5686613300195235
Energy: 0.613441964310957
Energy: 0.5710421756635489
Energy: 0.6656771215480874
Energy: 0.5710421756635489
Energy: 0.6055929564235323
Energy: 0.5408015907343877
Energy: 0.61339382628381
Energy: 0.5408015907343877
Energy: 0.6123347114581046
Energy: 0.5399277968728662
Energy: 0.5456754484546175
Energy: 0.5399277968728662
Energy: 0.7379647737956504
Energy: 0.5378541615767328
Energy: 0.5380478783866981
Energy: 0.5378541615767328
Energy: 0.6688613006851134
Energy: 0.5386997513344759
Energy: 0.540029759142448
Energy: 0.5386997513350421

minimum gb energy = 0.5375241059651512 eV
minimum distance =  2.61035369904361 Angstroms
sigma value = 37


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

Energy: 0.7797147560518775
Energy: 0.5008094263257096
Energy: 0.5081768047460647
Energy: 0.5008094263257096
Energy: 0.5668062679786654
Energy: 0.5076985044670672
Energy: 0.6213784518289779
Energy: 0.5076985044670672
Energy: 0.6641072070379932
Energy: 0.5614030758093187
Energy: 0.6176105913810481
Energy: 0.5614030758102929
Energy: 0.6655004785984249
Energy: 0.5524008237662947
Energy: 0.6181464955118301
Energy: 0.5524008237662947
Energy: 0.61646065668129
Energy: 0.4977596759780992
Energy: 0.6538989154294206
Energy: 0.49775967597907345
Energy: 0.6175303615864427
Energy: 0.49483511889493975
Energy: 0.5501627894640149
Energy: 0.494835118895914
Energy: 0.5491451944378972
Energy: 0.49714654572652756
Energy: 0.7121066731590507
Energy: 0.49714654572652756
Energy: 0.5615582032001277
Energy: 0.4914015941899531
Energy: 0.5647113150764003
Energy: 0.4914015941899531
Energy: 0.5510233698145112
Energy: 0.4940853740309729
Energy: 0.5559650136635251
Energy: 0.4940853740309729
Energy: 0.5472642254999908
Energy: 0.491049562227586
Energy: 0.49037559689732946
Energy: 0.491049562227586
Energy: 0.5843583773279546
Energy: 0.5840578020015401
Energy: 0.7078391628004186
Energy: 0.5840578020015401
Energy: 0.6556085673337528
Energy: 0.4907176062449936
Energy: 0.4971582457125554
Energy: 0.4907176062449936
Energy: 0.6553110292546486
Energy: 0.5440549943085512
Energy: 0.664083082197238
Energy: 0.5440549943085512
Energy: 0.6645179935060319
Energy: 0.49130123572008616
Energy: 0.5479205737603914
Energy: 0.49130123572008616
Energy: 0.6538989154294206
Energy: 0.5536764290124452
Energy: 0.6071136859419928
Energy: 0.5536764290124452
Energy: 0.5501627894231184
Energy: 0.5461180878784272
Energy: 0.6168949236411313
Energy: 0.5461180878784272
Energy: 0.7178359353822673
Energy: 0.6106339946762812
Energy: 0.5488116100467854
Energy: 0.6106339946762812
Energy: 0.5647113150773744
Energy: 0.5537813148729009
Energy: 0.5144410551206225
Energy: 0.5537813148729009
Energy: 0.555965013670345
Energy: 0.5096811055371557
Energy: 0.5071477351027458
Energy: 0.5096811055371557
Energy: 0.6167163954651178
Energy: 0.5082586253168153
Energy: 0.5129227989072022
Energy: 0.5082586253168153

minimum gb energy = 0.49037559689732946 eV
minimum distance =  2.60233679330678 Angstroms
sigma value = 25


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

Energy: 0.8064258395566641
Energy: 0.4490118949092812
Energy: 0.4503472708234828
Energy: 0.449011894916128
Energy: 0.6074081036290964
Energy: 0.4450771342672331
Energy: 0.5337479121821469
Energy: 0.4450771342672331
Energy: 0.6164540572280781
Energy: 0.44427713722311557
Energy: 0.5296170877122643
Energy: 0.44427713722311557
Energy: 0.6045198174552115
Energy: 0.4460920547063223
Energy: 0.5306553406608361
Energy: 0.446092054707083
Energy: 0.6313013567799542
Energy: 0.490144815558643
Energy: 0.6383993980948008
Energy: 0.490144815558643
Energy: 0.6126450657042026
Energy: 0.48778720788399477
Energy: 0.6411942040629258
Energy: 0.48778720788399477
Energy: 0.6093865705364087
Energy: 0.4889997250920738
Energy: 0.6329909964858111
Energy: 0.4889997250920738
Energy: 0.5371637146652789
Energy: 0.4451732554996371
Energy: 0.6348765386737125
Energy: 0.4451732554988763
Energy: 0.5294679848454609
Energy: 0.4448181798986041
Energy: 0.6365632011274663
Energy: 0.4448181798986041
Energy: 0.5323286719517265
Energy: 0.4453647559338192
Energy: 0.634214740724458
Energy: 0.4453647559338192
Energy: 0.45128652640686
Energy: 0.44751124409382226
Energy: 0.7047198453717434
Energy: 0.4475112440991476
Energy: 0.4479132323272611
Energy: 0.44532731882607113
Energy: 0.6357295187575707
Energy: 0.44532731882607113
Energy: 0.44609007589947697
Energy: 0.4471349218774273
Energy: 0.6226632832789228
Energy: 0.4471349218774273
Energy: 0.4545308146250852
Energy: 0.4456364365526568
Energy: 0.6059866804099682
Energy: 0.4456364365526568
Energy: 0.5283183758121306
Energy: 0.444406338315912
Energy: 0.6338219958091881
Energy: 0.44440633831515125
Energy: 0.5351290550520831
Energy: 0.44530637078121976
Energy: 0.6106721835623308
Energy: 0.44530637078121976
Energy: 0.6315380016219132
Energy: 0.4462564883944459
Energy: 0.6103395427273826
Energy: 0.44625648839371973
Energy: 0.5245653886064574
Energy: 0.4908776735066513
Energy: 0.6332290684489124
Energy: 0.4908776735066513
Energy: 0.637816652707116
Energy: 0.4884574092979798
Energy: 0.610734748324151
Energy: 0.4884574092979798
Energy: 0.6302204551388355
Energy: 0.48808386085930294
Energy: 0.6139401044330858
Energy: 0.48808386085930294
Energy: 0.7063407254715692
Energy: 0.44746782774803584
Energy: 0.5319358114217964
Energy: 0.44746782774803584
Energy: 0.6334550874361131
Energy: 0.4442016422302048
Energy: 0.4451442290968585
Energy: 0.4442016422302048
Energy: 0.6303878953182162
Energy: 0.4468264249852444
Energy: 0.5349589196394481
Energy: 0.4468264249852444
Energy: 0.6830528372746341
Energy: 0.4467095291250171
Energy: 0.4478980734812147
Energy: 0.4467095291250171
Energy: 0.6336241279036835
Energy: 0.44447844947882253
Energy: 0.44469641938425086
Energy: 0.44447844947882253
Energy: 0.6083802970659055
Energy: 0.4462523092141586
Energy: 0.44959969349497153
Energy: 0.4462523092141586

minimum gb energy = 0.4442016422302048 eV
minimum distance =  2.61884067446168 Angstroms
sigma value = 41


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

Energy: 0.8664069353908113
Energy: 0.41422823192072245
Energy: 0.5595155744572278
Energy: 0.41422823192072245
Energy: 0.6826478244080053
Energy: 0.4081380663880508
Energy: 0.4787581701306444
Energy: 0.4081380663880508
Energy: 0.6822085567174501
Energy: 0.40697619411448216
Energy: 0.47581403394960753
Energy: 0.40697619411448216
Energy: 0.6881752962466248
Energy: 0.40952336808805695
Energy: 0.5624190619521723
Energy: 0.40952336808805695
Energy: 0.689903954312825
Energy: 0.40612380470722464
Energy: 0.6116627009355606
Energy: 0.40612380470660087
Energy: 0.6809292045974878
Energy: 0.5152612206663035
Energy: 0.6140151314181989
Energy: 0.5152612206663035
Energy: 0.6845066845033311
Energy: 0.4454113976171533
Energy: 0.6909757378153379
Energy: 0.4454113976171533
Energy: 0.6256857461828053
Energy: 0.4458218255500041
Energy: 0.6122541134577874
Energy: 0.4458218255493804
Energy: 0.541091093858819
Energy: 0.4433125768915368
Energy: 0.693325373353312
Energy: 0.4433125768909131
Energy: 0.5408156175733257
Energy: 0.40647693990245726
Energy: 0.6889027518312597
Energy: 0.4064769399049521
Energy: 0.48678463425401364
Energy: 0.4108865242914
Energy: 0.779579034408591
Energy: 0.4108865242914
Energy: 0.47196305253681714
Energy: 0.40652113308830984
Energy: 0.6881769331056862
Energy: 0.40652113308893356
Energy: 0.4800668298864455
Energy: 0.40981129954969187
Energy: 0.6864453742399649
Energy: 0.40981129954969187
Energy: 0.4144513273239757
Energy: 0.4098284420458408
Energy: 0.687851347838244
Energy: 0.40982844204521707
Energy: 0.4070654402373965
Energy: 0.4070515048895747
Energy: 0.6903389816760783
Energy: 0.40705150488895103
Energy: 0.4129694260922703
Energy: 0.40843913687864164
Energy: 0.6778824669967319
Energy: 0.40843913687864164
Energy: 0.48260321707157566
Energy: 0.410609917015149
Energy: 0.6788524116580773
Energy: 0.4106099170157727
Energy: 0.471686875266156
Energy: 0.47116612454208623
Energy: 0.6871376926297691
Energy: 0.47116612454146256
Energy: 0.4771726805349165
Energy: 0.4095642682324218
Energy: 0.6816668800743517
Energy: 0.40956426823179815
Energy: 0.61810275518602
Energy: 0.40769956949455194
Energy: 0.6795988728768833
Energy: 0.40769956949455194
Energy: 0.6149527579750719
Energy: 0.44357663255824664
Energy: 0.6891057066867197
Energy: 0.4435766325414067
Energy: 0.6189469228892341
Energy: 0.4114083975482207
Energy: 0.684529048639218
Energy: 0.41140839754884445
Energy: 0.6933949632996255
Energy: 0.4426617283104482
Energy: 0.6808156988668
Energy: 0.4426617283104482
Energy: 0.6125307938625236
Energy: 0.4076547157551858
Energy: 0.6201019162841139
Energy: 0.40765471575580947
Energy: 0.6902617229048096
Energy: 0.44372058965772465
Energy: 0.5353135630425773
Energy: 0.4437205896826444
Energy: 0.6913809682205782
Energy: 0.407633293702013
Energy: 0.6161292789098834
Energy: 0.407633293702013
Energy: 0.6914181957910797
Energy: 0.4098526662816648
Energy: 0.4777179934527943
Energy: 0.4098526662816648
Energy: 0.6876602092048673
Energy: 0.4088387833658287
Energy: 0.47053539543287753
Energy: 0.4088387833658287
Energy: 0.6893257427235419
Energy: 0.40897438638672856
Energy: 0.4836432837234704
Energy: 0.40897438638735223
Energy: 0.6890636738456564
Energy: 0.4108193229095165
Energy: 0.4082115246833533
Energy: 0.4108193229095165
Energy: 0.6870989442589279
Energy: 0.40720091396411684
Energy: 0.40708619897277615
Energy: 0.40720091396411684
Energy: 0.6920698764478649
Energy: 0.40859523658407554
Energy: 0.4126637729256101
Energy: 0.40859523658407554

minimum gb energy = 0.40612380470660087 eV
minimum distance =  2.62001130926965 Angstroms
sigma value = 15


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

Energy: 0.7538886819651612
Energy: 0.38882897069918354
Energy: 0.5395779832089068
Energy: 0.38882897069865513
Energy: 0.7159088082244373
Energy: 0.37854773193321656
Energy: 0.4388583906026804
Energy: 0.37854773193321656
Energy: 0.7307020164433219
Energy: 0.37855322076490233
Energy: 0.4375097729874555
Energy: 0.37855322076490233
Energy: 0.724194548726125
Energy: 0.3808134525155176
Energy: 0.5652754288973004
Energy: 0.3808134525155176
Energy: 0.7203271941274733
Energy: 0.37747654605716957
Energy: 0.5512012020793623
Energy: 0.37747654621087545
Energy: 0.7167388770812457
Energy: 0.3773579791125108
Energy: 0.5553460429511777
Energy: 0.37735797919118896
Energy: 0.6109254839500029
Energy: 0.37852983941114055
Energy: 0.6675621014528492
Energy: 0.37852983941114055
Energy: 0.6746321293540772
Energy: 0.41096733364678484
Energy: 0.5484168893442533
Energy: 0.4109673336393877
Energy: 0.6122896949679252
Energy: 0.40802557886831864
Energy: 0.6668537610850089
Energy: 0.408025578868847
Energy: 0.6124963766490029
Energy: 0.48234643560756035
Energy: 0.7215305528264356
Energy: 0.4823464356091454
Energy: 0.5658446282957535
Energy: 0.3788822033987574
Energy: 0.6842002892685403
Energy: 0.37888220339822903
Energy: 0.4860889260333743
Energy: 0.3765928891578723
Energy: 0.7217436259562512
Energy: 0.3765928891578723
Energy: 0.5526359240134656
Energy: 0.37789033160603647
Energy: 0.7220629006765543
Energy: 0.37789033160550806
Energy: 0.44419083596034226
Energy: 0.380733289274577
Energy: 0.6673040021867909
Energy: 0.3807332892740486
Energy: 0.4305466909146877
Energy: 0.3770970161789259
Energy: 0.7217942017523739
Energy: 0.3770970161789259
Energy: 0.4412556922325755
Energy: 0.3810684868615456
Energy: 0.724001410355495
Energy: 0.38106848686101724
Energy: 0.38224179984512746
Energy: 0.3778910344348734
Energy: 0.7228524706166463
Energy: 0.3778910344348734
Energy: 0.3783023109549496
Energy: 0.37734131153964584
Energy: 0.7208864838210349
Energy: 0.37734131153964584
Energy: 0.38175256796660184
Energy: 0.3802797968880213
Energy: 0.7173162147822092
Energy: 0.3802797968880213
Energy: 0.4419980370071046
Energy: 0.37961453280404833
Energy: 0.7133844875240359
Energy: 0.37961453280404833
Energy: 0.4307666671755925
Energy: 0.37920926905960833
Energy: 0.7213534627497453
Energy: 0.37920926905960833
Energy: 0.44347700975375826
Energy: 0.38019934554344664
Energy: 0.7217108080753264
Energy: 0.38019934554397505
Energy: 0.5573519628669775
Energy: 0.37811309102874924
Energy: 0.7141488171017271
Energy: 0.3781130910303343
Energy: 0.5493580513243961
Energy: 0.3764600938403604
Energy: 0.7211808246060426
Energy: 0.37646009383771856
Energy: 0.5643100958758878
Energy: 0.37973518150388996
Energy: 0.6129769919332065
Energy: 0.37973518150388996
Energy: 0.6659748782586298
Energy: 0.48276751828687264
Energy: 0.7228612563941309
Energy: 0.48276751828687264
Energy: 0.5501753686900214
Energy: 0.4084313636837058
Energy: 0.6652139022230242
Energy: 0.4084313636837058
Energy: 0.673784459622516
Energy: 0.4105005875254374
Energy: 0.6135233661605543
Energy: 0.4105005875254374
Energy: 0.6663376341949202
Energy: 0.3777595527944515
Energy: 0.6664987971632385
Energy: 0.37775955279392315
Energy: 0.6649115427775785
Energy: 0.3772298355838322
Energy: 0.552577478845962
Energy: 0.37722983558277545
Energy: 0.7198410846515234
Energy: 0.4318375030766286
Energy: 0.48625761529897693
Energy: 0.4318375030766286
Energy: 0.6676060246200602
Energy: 0.37969535932222576
Energy: 0.5630327934008464
Energy: 0.37969535932328247
Energy: 0.7228149908390447
Energy: 0.37849943377444106
Energy: 0.4355182457571639
Energy: 0.37849943377496936
Energy: 0.7211842131107911
Energy: 0.37806020844990446
Energy: 0.43416509347219207
Energy: 0.37806020844990446
Energy: 0.7200502547684527
Energy: 0.380890134744059
Energy: 0.3915521881917559
Energy: 0.380890134744059
Energy: 0.7210815026361755
Energy: 0.3795053144135136
Energy: 0.38108494981387414
Energy: 0.3795053144135136
Energy: 0.7274077739744489
Energy: 0.38014422706743467
Energy: 0.37912841043169365
Energy: 0.38014422706743467

minimum gb energy = 0.37646009383771856 eV
minimum distance =  2.62773915964745 Angstroms
sigma value = 85


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

Energy: 0.7887034664825968
Energy: 0.3550732330901614
Energy: 0.3431620222102521
Energy: 0.35507323309061967
Energy: 0.7301811050860163
Energy: 0.3419244407356442
Energy: 0.3931638829311807
Energy: 0.3419244407356442
Energy: 0.7276049026256833
Energy: 0.34181830139874914
Energy: 0.39395838777731035
Energy: 0.34181830139874914
Energy: 0.6386379334385452
Energy: 0.34484350637010597
Energy: 0.5006526433286268
Energy: 0.34484350637010597
Energy: 0.7323413567941843
Energy: 0.3406618870311973
Energy: 0.4928645813571382
Energy: 0.3406618870311973
Energy: 0.6404426035475169
Energy: 0.34124499597303726
Energy: 0.4988689227606055
Energy: 0.3412449959757867
Energy: 0.6436973426062457
Energy: 0.341731273751393
Energy: 0.6041738078470984
Energy: 0.341731273751393
Energy: 0.6878033103439143
Energy: 0.34146005986884687
Energy: 0.4878636810942042
Energy: 0.34146005988351086
Energy: 0.6448475094044345
Energy: 0.3414810057852188
Energy: 0.5994071263208685
Energy: 0.3414810057847606
Energy: 0.6434860005684707
Energy: 0.392788852328184
Energy: 0.6868380576736024
Energy: 0.392788852328184
Energy: 0.5977096035205804
Energy: 0.34195089791405753
Energy: 0.6037153140387351
Energy: 0.34195089791224537
Energy: 0.5457409995075903
Energy: 0.3418024391318516
Energy: 0.6882562435020633
Energy: 0.3418024391410166
Energy: 0.5978947918099756
Energy: 0.34139525788663927
Energy: 0.6851569443966068
Energy: 0.34139525788663927
Energy: 0.49840527261392475
Energy: 0.343327965913577
Energy: 0.5945419639107518
Energy: 0.343327965913577
Energy: 0.43279415835447077
Energy: 0.3408148732762947
Energy: 0.7338469206035914
Energy: 0.3408148732758365
Energy: 0.49349033438463863
Energy: 0.34261932757335334
Energy: 0.685532556358562
Energy: 0.3426193275738116
Energy: 0.39472915569435923
Energy: 0.34262894360691876
Energy: 0.683891491628729
Energy: 0.34262894360691876
Energy: 0.38758797142485146
Energy: 0.3408683257548025
Energy: 0.7299021574384233
Energy: 0.3408683257781733
Energy: 0.3956317689813511
Energy: 0.34135053315735353
Energy: 0.7306604794066004
Energy: 0.34135053315781183
Energy: 0.3415818643120023
Energy: 0.34342663941914525
Energy: 0.7306825239010947
Energy: 0.34342663941914525
Energy: 0.3415138529084911
Energy: 0.3410756176470152
Energy: 0.7301040344971954
Energy: 0.3410756176470152
Energy: 0.34206894575227226
Energy: 0.34376680473933646
Energy: 0.7248515098312485
Energy: 0.34376680473933646
Energy: 0.39064010162736423
Energy: 0.3417190538775704
Energy: 0.7267059673179596
Energy: 0.3417190538766538
Energy: 0.3892483225888858
Energy: 0.340870848694233
Energy: 0.7302936192455691
Energy: 0.34087084869469125
Energy: 0.38831209224825447
Energy: 0.34262288138643887
Energy: 0.6392398839390778
Energy: 0.34262288138643887
Energy: 0.4972425061742965
Energy: 0.34120055552732725
Energy: 0.7301649223694541
Energy: 0.341200555526869
Energy: 0.49418269195544934
Energy: 0.340959718759243
Energy: 0.7293895838043519
Energy: 0.3409597187587848
Energy: 0.5671922978274287
Energy: 0.34133614293951337
Energy: 0.6406526299055301
Energy: 0.34133614293951337
Energy: 0.597555079469088
Energy: 0.3424595547929675
Energy: 0.7305174961162968
Energy: 0.34245955479342577
Energy: 0.5969186566704311
Energy: 0.3418234423499546
Energy: 0.642075296138062
Energy: 0.3418234422968391
Energy: 0.6528222612711306
Energy: 0.39319381958615335
Energy: 0.5428447465082905
Energy: 0.39319381957884214
Energy: 0.5974126706229012
Energy: 0.3927989863815402
Energy: 0.6517109312588485
Energy: 0.39279898638016547
Energy: 0.6875597146516716
Energy: 0.34177001073826224
Energy: 0.5480905766997718
Energy: 0.341770011011734
Energy: 0.7331993245199241
Energy: 0.3416665607834093
Energy: 0.5471156542119068
Energy: 0.3416665607824928
Energy: 0.6015195167648381
Energy: 0.34188390042135164
Energy: 0.49877956481260144
Energy: 0.34188390042135164
Energy: 0.7353589690179423
Energy: 0.34273788302949754
Energy: 0.49371189254380377
Energy: 0.34273788302949754
Energy: 0.7332064817113405
Energy: 0.34125912736423036
Energy: 0.4979868254330687
Energy: 0.34125912736423036
Energy: 0.6833323484203413
Energy: 0.34540022988895974
Energy: 0.38834674689192633
Energy: 0.34540022988895974
Energy: 0.733568948309894
Energy: 0.34076671794092395
Energy: 0.3887941698213276
Energy: 0.34076671794092395
Energy: 0.7308109714295689
Energy: 0.3416085960024961
Energy: 0.38941136183351943
Energy: 0.3416085960024961
Energy: 0.6818201727199723
Energy: 0.3427216897215248
Energy: 0.345231815901978
Energy: 0.3427216897210665
Energy: 0.7332240798211548
Energy: 0.3410750661338847
Energy: 0.34110244336870693
Energy: 0.3410750661338847
Energy: 0.7251379051566363
Energy: 0.3415750156558691
Energy: 0.3421924120324046
Energy: 0.3415750156558691

minimum gb energy = 0.3406618870311973 eV
minimum distance =  2.62046852910745 Angstroms
sigma value = 113


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

Energy: 0.013171169567317315
Energy: 0.014111941554127596
Energy: 0.5810590002540875
Energy: 0.014111941554479876
Energy: 0.014038581862438579
Energy: 0.07616740774488354
Energy: 0.38730914278332806
Energy: 0.07616740774488354
Energy: 0.013664782025533985
Energy: 0.07609555236494665
Energy: 0.386662419432891
Energy: 0.07609555236494665
Energy: 0.014650818415079618
Energy: 0.07711685811949559
Energy: 0.38871380529330457
Energy: 0.07711685811949559
Energy: 0.38890433753001385
Energy: 0.0772642906027505
Energy: 0.38936587960922686
Energy: 0.0772642906027505
Energy: 0.013647904712441343
Energy: 0.0757325162925412
Energy: 0.3863775346848054
Energy: 0.0757325162922085

minimum gb energy = 0.013171169567317315 eV
minimum distance =  2.8333930733253 Angstroms
sigma value = 1