Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.491938583552837
cohesive_energy=4.443733403167747
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -8.48587922344666e-25 eV

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

Energy: 0.018429109239648266
Energy: 0.018844738940818426
Energy: 1.3007923662352299
Energy: 0.018844738940818426
Energy: 0.018844738940818426
Energy: 1.335929370906973
Energy: 0.018844738940818426
Energy: 1.335929370906973
Energy: 1.3007923662352299
Energy: 0.018844738940818426
Energy: 0.01842910924028313
Energy: 0.018844738940818426
Energy: 0.018844738940818426
Energy: 1.3359293709063382
Energy: 0.018844738940818426
Energy: 1.3359293709063382

minimum gb energy = 0.018429109239648266 eV
minimum distance =  2.41066872863828 Angstroms
sigma value = 1


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

Energy: 1.5787020393151303
Energy: 1.6126105465107177
Energy: 1.4511253493461433
Energy: 1.6126105465107177
Energy: 1.4963403312499997
Energy: 1.581337705237128
Energy: 1.5018260764803448
Energy: 1.581337705237128
Energy: 1.4447814241079229
Energy: 1.59440693577891
Energy: 1.4774059037390666
Energy: 1.59440693577891
Energy: 1.4649102737925763
Energy: 1.6279214330304774
Energy: 1.4468136723441525
Energy: 1.6279214330304774
Energy: 1.4684871914350492
Energy: 1.613759733787359
Energy: 1.4804089981351016
Energy: 1.613759733787359
Energy: 1.4118239993862005
Energy: 1.5692311189243149
Energy: 1.3991761560438114
Energy: 1.5692311189234995
Energy: 1.50114436882256
Energy: 1.5946379737277345
Energy: 1.4137477524542086
Energy: 1.5946379737277345
Energy: 1.3258640190473105
Energy: 1.6155850925075406
Energy: 1.396347201838554
Energy: 1.6155850925075406
Energy: 1.4492055732853526
Energy: 1.4817848050287512
Energy: 1.494151768293711
Energy: 1.4817848050287512
Energy: 1.3926092619091812
Energy: 1.593506907382808
Energy: 1.316797243581819
Energy: 1.5935069073819927
Energy: 1.4787910304663618
Energy: 1.5763376319967144
Energy: 1.449483130773685
Energy: 1.5763376319967144
Energy: 1.4438484249999863
Energy: 1.615754035083525
Energy: 1.4081115992741535
Energy: 1.615754035083525
Energy: 1.4770903433696472
Energy: 1.593376984802947
Energy: 1.5007339859864166
Energy: 1.593376984802947
Energy: 1.476847278500454
Energy: 1.601186355116701
Energy: 1.4356928169956582
Energy: 1.601186355116701
Energy: 1.4796712625753128
Energy: 1.612960543048063
Energy: 1.4758649762643739
Energy: 1.612960543048063
Energy: 1.4786009996478184
Energy: 1.6131594821071522
Energy: 1.4764135236702947
Energy: 1.6131594821071522
Energy: 1.4773754622570858
Energy: 1.5944906982936182
Energy: 1.3835261675418735
Energy: 1.5944906982936182
Energy: 1.502177491180355
Energy: 1.5699313464783622
Energy: 1.4973424026215887
Energy: 1.5699313464783622
Energy: 1.401890233995226
Energy: 1.6139108079599798
Energy: 1.4078589082604678
Energy: 1.6139108079599798
Energy: 1.5199094762711411
Energy: 1.4814563470856923
Energy: 1.454087640176697
Energy: 1.4814563470856923
Energy: 1.3948511180158052
Energy: 1.5941360435079088
Energy: 1.3536432650160206
Energy: 1.5941360435079088
Energy: 1.4472801789767935
Energy: 1.5108548919978388
Energy: 1.4801004889196168
Energy: 1.510854891998654
Energy: 1.47888483305884
Energy: 1.6140452690339997
Energy: 1.3964966287875937
Energy: 1.6140452690339997
Energy: 1.4460030111217732
Energy: 1.595009664223676
Energy: 1.4120485366540962
Energy: 1.595009664223676
Energy: 1.413564390510153
Energy: 1.5666329155054877
Energy: 1.5006437255279772
Energy: 1.5666329155054877
Energy: 1.4736928678324137
Energy: 1.616169970254573
Energy: 1.4143208352394405
Energy: 1.616169970254573
Energy: 1.4730265787371057
Energy: 1.571996267683654
Energy: 1.4493208437368992
Energy: 1.5719962676844694
Energy: 1.3935417368308611
Energy: 1.5936956686085826
Energy: 1.4767299476435503
Energy: 1.5936956686085826
Energy: 1.4950121920648145
Energy: 1.5620382175579275
Energy: 1.4781732564133574
Energy: 1.5620382175579275
Energy: 1.499065467246737
Energy: 1.6137157453637943
Energy: 1.4471291976928837
Energy: 1.6137157453637943
Energy: 1.4900151191234716
Energy: 1.6030717229434666
Energy: 1.4770417918768766
Energy: 1.6030717229434666
Energy: 1.4494159306438583
Energy: 1.5959218779282478
Energy: 1.4769128150035225
Energy: 1.5959218779282478
Energy: 1.4685674732540388
Energy: 1.626191693987076
Energy: 1.448448047054586
Energy: 1.626191693987076

minimum gb energy = 1.316797243581819 eV
minimum distance =  2.22421652734102 Angstroms
sigma value = 1


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

Energy: 1.6876173371128962
Energy: 1.7209625321500626
Energy: 1.507640496966823
Energy: 1.7209625321500626
Energy: 1.5421446466653712
Energy: 1.6664640933565493
Energy: 1.5516179749644001
Energy: 1.6664640933565493
Energy: 1.4844314186818197
Energy: 1.7243473118439123
Energy: 1.5518161933104677
Energy: 1.7243473118439123
Energy: 1.4796102690478496
Energy: 1.5276402584217288
Energy: 1.4766949162359415
Energy: 1.5276402584226583
Energy: 1.479641203576552
Energy: 1.6914136282245344
Energy: 1.563698625932606
Energy: 1.6914136282245344
Energy: 1.5505718766229224
Energy: 1.6916583711288475
Energy: 1.43084629690619
Energy: 1.6916583711288475
Energy: 1.541613835013635
Energy: 1.5264988746217902
Energy: 1.5037697022812933
Energy: 1.5264988746217902
Energy: 1.380396274850077
Energy: 1.718790506618484
Energy: 1.4596764695857039
Energy: 1.718790506618484
Energy: 1.4961906736758728
Energy: 1.575859622801994
Energy: 1.5514271687842107
Energy: 1.575859622801994
Energy: 1.4787398178157865
Energy: 1.721421619190749
Energy: 1.4794409732956495
Energy: 1.721421619190749
Energy: 1.5416359692620158
Energy: 1.6382143566717706
Energy: 1.574940202681433
Energy: 1.6382143566717706
Energy: 1.4389222418735084
Energy: 1.7062562289262837
Energy: 1.5511321000621114
Energy: 1.7062562289272132
Energy: 1.568360646698622
Energy: 1.691132051924844
Energy: 1.5321515490676052
Energy: 1.691132051924844
Energy: 1.5682613461461594
Energy: 1.691135248580894
Energy: 1.5677419649062003
Energy: 1.691135248580894
Energy: 1.4387327276627133
Energy: 1.7048111449842263
Energy: 1.5371418141248747
Energy: 1.7048111449842263
Energy: 1.541402436992762
Energy: 1.6380854391771547
Energy: 1.526780577950987
Energy: 1.6380854391771547
Energy: 1.4787484283968182
Energy: 1.721268458700645
Energy: 1.4360644854681441
Energy: 1.721268458700645
Energy: 1.4939985896004004
Energy: 1.5758224553621982
Energy: 1.5515583902746761
Energy: 1.5758224553621982
Energy: 1.380398593966163
Energy: 1.718772205262698
Energy: 1.4600581385005507
Energy: 1.718772205262698
Energy: 1.5411869619616025
Energy: 1.5266164744999797
Energy: 1.4769635293096302
Energy: 1.5266164744999797
Energy: 1.5395697899890444
Energy: 1.691715682530403
Energy: 1.5274172123077814
Energy: 1.691715682530403
Energy: 1.4794558579203785
Energy: 1.691391957262323
Energy: 1.5352517836230253
Energy: 1.691391957262323
Energy: 1.4796602064094484
Energy: 1.5276779339462592
Energy: 1.5270663047259545
Energy: 1.5276779339462592
Energy: 1.4844680960076417
Energy: 1.7243590920906091
Energy: 1.5370036444982276
Energy: 1.7243590920906091
Energy: 1.5422903137891482
Energy: 1.6667052828902635
Energy: 1.573982350382642
Energy: 1.6667052828902635
Energy: 1.6876173371128962
Energy: 1.7209625321500626
Energy: 1.5820031489620416
Energy: 1.7209625321500626
Energy: 1.5421446466644417
Energy: 1.6664640933565493
Energy: 1.5516179749644001
Energy: 1.6664640933565493
Energy: 1.4844314186818197
Energy: 1.7243473118439123
Energy: 1.5522818245993135
Energy: 1.7243473118439123
Energy: 1.4796102690478496
Energy: 1.5276402584217288
Energy: 1.4766949162359415
Energy: 1.5276402584217288

minimum gb energy = 1.380396274850077 eV
minimum distance =  2.22752811018249 Angstroms
sigma value = 25


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

Energy: 1.6170876806814753
Energy: 1.805349879565459
Energy: 1.6060281220307533
Energy: 1.805349879565459
Energy: 1.650762236502243
Energy: 1.7095931650138319
Energy: 1.5823790216158253
Energy: 1.7095931650138319
Energy: 1.571832695178719
Energy: 1.8494449809367923
Energy: 1.584350859833601
Energy: 1.8494449809367923
Energy: 1.5858942838267749
Energy: 1.6028339449241922
Energy: 1.539957115680554
Energy: 1.6028339449241922
Energy: 1.5402112980983842
Energy: 1.8055397773121364
Energy: 1.5345917206717126
Energy: 1.8055397773121364
Energy: 1.6518614786929844
Energy: 1.8491947137664155
Energy: 1.5399502108626109
Energy: 1.8491947137664155
Energy: 1.6523386001932387
Energy: 1.5908383273139541
Energy: 1.5768992485832376
Energy: 1.5908383273139541
Energy: 1.6928516229220545
Energy: 1.808934427221785
Energy: 1.474914926719189
Energy: 1.808934427221785
Energy: 1.576378488588614
Energy: 1.718632904711977
Energy: 1.583637942227705
Energy: 1.7186329047130573
Energy: 1.582395137778021
Energy: 1.8484599417795868
Energy: 1.522687712949737
Energy: 1.8484599417795868
Energy: 1.593392541693168
Energy: 1.8058693515309792
Energy: 1.5832404389861363
Energy: 1.8058693515320599
Energy: 1.5402177416071259
Energy: 1.805836805137461
Energy: 1.583799481006305
Energy: 1.805836805137461
Energy: 1.5843348399898902
Energy: 1.7351199040982996
Energy: 1.5234417943131722
Energy: 1.7351199040982996
Energy: 1.577408727320994
Energy: 1.6684675237850797
Energy: 1.65033725268467
Energy: 1.6684675237850797
Energy: 1.5181635045165278
Energy: 1.805562213683649
Energy: 1.4716165191895003
Energy: 1.805562213683649
Energy: 1.5819560828111425
Energy: 1.5941088081354804
Energy: 1.5398728365830379
Energy: 1.5941088081354804
Energy: 1.4516205682754222
Energy: 1.8494066685885957
Energy: 1.4515381049430314
Energy: 1.8494066685896762
Energy: 1.5401295750034512
Energy: 1.7345560930137267
Energy: 1.6350850556716685
Energy: 1.7345560930137267
Energy: 1.5786172948191
Energy: 1.7456996374116174
Energy: 1.5385586440042112
Energy: 1.7456996374116174
Energy: 1.540167679443628
Energy: 1.848551470687309
Energy: 1.5903046110635635
Energy: 1.848551470687309
Energy: 1.602127657299145
Energy: 1.71180249389384
Energy: 1.5823696331926822
Energy: 1.71180249389384
Energy: 1.6164485241535798
Energy: 1.8062640207229839
Energy: 1.6445945931309631
Energy: 1.8062640207229839
Energy: 1.6529476333641817
Energy: 1.7316971154677496
Energy: 1.5837585289045337
Energy: 1.7316971154677496
Energy: 1.5288243716635026
Energy: 1.855205084215252
Energy: 1.5824664956072039
Energy: 1.855205084215252
Energy: 1.5831466251186639
Energy: 1.6076931051000918
Energy: 1.538284244052362
Energy: 1.6076931051000918

minimum gb energy = 1.4515381049430314 eV
minimum distance =  2.2299288380902 Angstroms
sigma value = 9


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

Energy: 1.71328817794245
Energy: 1.7122646763823708
Energy: 1.7279719090187593
Energy: 1.7122646763823708
Energy: 1.6542508432764578
Energy: 1.8207637047908005
Energy: 1.6907444079943346
Energy: 1.8207637047908005
Energy: 1.538818631158016
Energy: 1.7032105387872698
Energy: 1.6688341889520992
Energy: 1.7032105387872698
Energy: 1.7003642603945857
Energy: 1.8442208383636967
Energy: 1.5676077774487476
Energy: 1.8442208383636967
Energy: 1.7728893890076036
Energy: 1.8200258462429344
Energy: 1.6716599327371005
Energy: 1.8200258462429344
Energy: 1.5231922054455675
Energy: 1.7027462820033004
Energy: 1.569176665363312
Energy: 1.7027462820033004
Energy: 1.6950623227445794
Energy: 1.5669937481173
Energy: 1.5686115027579723
Energy: 1.5669937481173
Energy: 1.6628111208167375
Energy: 1.7030260223575981
Energy: 1.555111474998013
Energy: 1.7030260223575981
Energy: 1.696743932898742
Energy: 1.8205627914994358
Energy: 1.7097635396797448
Energy: 1.8205627914994358
Energy: 1.7049685390064595
Energy: 1.7084379905147518
Energy: 1.5689274581400972
Energy: 1.7084379905147518
Energy: 1.6084257113933424
Energy: 1.819894919774551
Energy: 1.699610259340955
Energy: 1.819894919774551
Energy: 1.7001361454084711
Energy: 1.7570832221069115
Energy: 1.567986793504324
Energy: 1.7570832221069115
Energy: 1.522904410928707
Energy: 1.7095667997719939
Energy: 1.5801183636046934
Energy: 1.7095667997719939
Energy: 1.6442033683517472
Energy: 1.7063671011028996
Energy: 1.6897714896182725
Energy: 1.7063671011028996
Energy: 1.522914385769469
Energy: 1.7094190231600188
Energy: 1.6036398501843834
Energy: 1.7094190231600188
Energy: 1.7002555560226869
Energy: 1.757382451032303
Energy: 1.56795550496955
Energy: 1.757382451032303
Energy: 1.6082621098906393
Energy: 1.819852962283427
Energy: 1.618238794333637
Energy: 1.819852962283427
Energy: 1.7050191492681466
Energy: 1.708538456560848
Energy: 1.570067578202739
Energy: 1.708538456560848
Energy: 1.6967880493210223
Energy: 1.8206078932576961
Energy: 1.6211482187828483
Energy: 1.8206078932576961
Energy: 1.6627926373770652
Energy: 1.7030196494207712
Energy: 1.5551187201130159
Energy: 1.7030196494207712
Energy: 1.6952505129829663
Energy: 1.5669784118218215
Energy: 1.5684901979828032
Energy: 1.5669784118218215

minimum gb energy = 1.522904410928707 eV
minimum distance =  2.31150570726658 Angstroms
sigma value = 25


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

Energy: 1.631115696448032
Energy: 1.7684477248866077
Energy: 1.7911925333619478
Energy: 1.7684477248866077
Energy: 1.6048078882578385
Energy: 1.8380594843268012
Energy: 1.5887074142410038
Energy: 1.8380594843268012
Energy: 1.588631761346502
Energy: 1.7451185285697708
Energy: 1.5880736441458934
Energy: 1.7451185285697708
Energy: 1.6286606252153515
Energy: 1.712612005874487
Energy: 1.786093014827565
Energy: 1.712612005874487
Energy: 1.782295467377346
Energy: 1.6042384378339452
Energy: 1.6448983626970473
Energy: 1.6042384378339452
Energy: 1.5942407218795172
Energy: 1.8532086996808492
Energy: 1.5899297332222453
Energy: 1.8532086996808492
Energy: 1.6451485934020427
Energy: 1.7123834827806674
Energy: 1.5885185370994228
Energy: 1.7123834827806674
Energy: 1.7635348622923086
Energy: 1.5888726004733376
Energy: 1.632196731422358
Energy: 1.5888726004860543
Energy: 1.5881773433281003
Energy: 1.838527893464168
Energy: 1.6070544242191702
Energy: 1.838527893464168
Energy: 1.8293202992765019
Energy: 1.744499189071331
Energy: 1.5896827805370528
Energy: 1.744499189071331
Energy: 1.6386798686972932
Energy: 1.7130124767787342
Energy: 1.951829726200174
Energy: 1.7130124767787342
Energy: 1.5890294081495269
Energy: 1.6456088971494198
Energy: 1.8279612844746413
Energy: 1.6456088971494198
Energy: 1.7688314724100855
Energy: 1.7463828156194339
Energy: 1.587937232289126
Energy: 1.7463828156194339
Energy: 1.5881386813025173
Energy: 1.7131206142691922
Energy: 1.6279020556178312
Energy: 1.7131206142691922
Energy: 1.645489574155452
Energy: 1.8302242881047899
Energy: 1.7634575444123508
Energy: 1.8302242881047899
Energy: 1.6048500224632558
Energy: 1.7521885929365653
Energy: 1.5944106076908031
Energy: 1.7521885929365653
Energy: 1.5887363941757453
Energy: 1.7358683924858043
Energy: 1.8273266243755706
Energy: 1.7358683924873983

minimum gb energy = 1.587937232289126 eV
minimum distance =  2.29516113176074 Angstroms
sigma value = 17


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

Energy: 1.7804261387311946
Energy: 1.779865725601406
Energy: 2.06349201662372
Energy: 1.779865725601406
Energy: 1.8579853152908326
Energy: 1.742033396957225
Energy: 1.6278332713268373
Energy: 1.742033396957225
Energy: 1.8229508516985402
Energy: 1.7735650809971952
Energy: 1.6274229534337574
Energy: 1.7735650809971952
Energy: 1.630403598780678
Energy: 1.7895247755595183
Energy: 1.750164434833603
Energy: 1.7895247755586154
Energy: 1.861921869009865
Energy: 1.7691408019203898
Energy: 1.6752151816256078
Energy: 1.7691408019203898
Energy: 1.645179401823057
Energy: 1.6852816998428806
Energy: 1.8181581905782094
Energy: 1.6852816998428806
Energy: 1.6324580884603355
Energy: 1.808380494320895
Energy: 1.6274974527615433
Energy: 1.808380494320895
Energy: 1.8191115092407941
Energy: 1.8327404484796677
Energy: 1.6439092277992486
Energy: 1.8327404484805703
Energy: 1.6494126488240146
Energy: 1.866371915976556
Energy: 1.8547974341005122
Energy: 1.866371915976556
Energy: 1.9679773662831779
Energy: 1.7393940973654909
Energy: 1.6283564028559736
Energy: 1.7393940973654909
Energy: 1.6342210159670565
Energy: 1.8310789721895244
Energy: 1.825739935483758
Energy: 1.8310789721895244
Energy: 1.6458782904161455
Energy: 1.803541793205957
Energy: 1.6441135671678455
Energy: 1.803541793205957
Energy: 1.8547018054677489
Energy: 1.77787317713482
Energy: 1.7764054612639122
Energy: 1.77787317713482
Energy: 1.6278360430876408
Energy: 1.973126935575342
Energy: 1.8366067542162725
Energy: 1.973126935575342
Energy: 1.765673649521254
Energy: 1.8113326777815748
Energy: 1.6476009030238778
Energy: 1.8113326777815748
Energy: 1.8228776877971509
Energy: 1.7771265252801431
Energy: 1.8193869281436685
Energy: 1.7771265252711148
Energy: 1.6281565895802643
Energy: 1.8003386112726036
Energy: 1.9549278402094383
Energy: 1.8003386112726036
Energy: 1.8109358117450571
Energy: 1.7736777466305003
Energy: 1.6449891031717465
Energy: 1.7736777466314033
Energy: 1.6654349134579396
Energy: 1.8136111890945088
Energy: 1.7366533211795383
Energy: 1.8136111890945088
Energy: 1.6273328679206396
Energy: 1.811146952201018
Energy: 1.6306662816849962
Energy: 1.811146952201921
Energy: 1.7230891229202598
Energy: 1.821608376266896
Energy: 1.8217780669055463
Energy: 1.821608376266896
Energy: 1.6281730218901318
Energy: 1.9014167154379265
Energy: 1.9681061011436187
Energy: 1.9014167154370236
Energy: 1.8402591202072476
Energy: 1.8323412288299072
Energy: 1.627047361996374
Energy: 1.8323412288299072
Energy: 1.6433010350794404
Energy: 1.809718988285494
Energy: 1.8478978324478859
Energy: 1.8097189882863964
Energy: 1.6431947901907031
Energy: 1.8222222092128972
Energy: 1.8458815261259571
Energy: 1.8222222092128972
Energy: 1.8475890526012506
Energy: 1.832429687698432
Energy: 1.6291150678268211
Energy: 1.832429687698432
Energy: 1.627667039042206
Energy: 1.9891253217766651
Energy: 2.0040516866093654
Energy: 1.9891253217766651
Energy: 1.8169514636317938
Energy: 1.6850240684230808
Energy: 1.8234489444297586
Energy: 1.6850240684212752
Energy: 1.9580011122937502
Energy: 1.8675209722695258
Energy: 1.634019357503335
Energy: 1.8675209722695258
Energy: 1.6440044557945561
Energy: 1.864061324945349
Energy: 1.8142298521670563
Energy: 1.864061324945349

minimum gb energy = 1.627047361996374 eV
minimum distance =  2.20844298848204 Angstroms
sigma value = 53


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

Energy: 1.55669007063886
Energy: 1.5565089515376256
Energy: 1.9743855524151006
Energy: 1.5565089515376256
Energy: 1.8513325219626415
Energy: 1.6943106205894578
Energy: 1.7406345033915989
Energy: 1.6943106205894578
Energy: 1.5577218738629035
Energy: 1.5554787374400507
Energy: 1.7382469499779851
Energy: 1.5554787374379722
Energy: 1.5575131276287015
Energy: 1.555772706592909
Energy: 1.7351647413763112
Energy: 1.555772706592909
Energy: 1.8513449880302122
Energy: 1.694319713336162
Energy: 1.7380531284564398
Energy: 1.694319713336162
Energy: 1.55669007063886
Energy: 1.5565089515376256
Energy: 2.084561073981373
Energy: 1.556508951535547
Energy: 1.8513325219626415
Energy: 1.6943106205894578
Energy: 1.712771737622132
Energy: 1.6943106205894578
Energy: 1.5577218738629035
Energy: 1.5554787374400507
Energy: 1.826446740016238
Energy: 1.5554787374379722
Energy: 1.5575131276287015
Energy: 1.555772706592909
Energy: 1.8140015036318213
Energy: 1.555772706592909
Energy: 1.8513449880302122
Energy: 1.694319713334131
Energy: 1.8156994563327258
Energy: 1.694319713336162
Energy: 1.55669007063886
Energy: 1.5565089515376256
Energy: 2.084561073981373
Energy: 1.5565089515376256
Energy: 1.8513325219626415
Energy: 1.6943106205894578
Energy: 1.8139684335138475
Energy: 1.6943106205894578
Energy: 1.5577218738629035
Energy: 1.5554787374400507
Energy: 1.826446740016238
Energy: 1.5554787374379722

minimum gb energy = 1.5554787374379722 eV
minimum distance =  2.27528104590856 Angstroms
sigma value = 9


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

Energy: 1.7007489903556996
Energy: 1.9296987109117623
Energy: 2.1763285270915937
Energy: 1.9296987112685646
Energy: 1.9239578435002311
Energy: 1.7869321104353713
Energy: 1.7020788646782425
Energy: 1.7869321104353713
Energy: 1.6905932859683928
Energy: 1.6864584043679547
Energy: 1.7015515452333618
Energy: 1.6864584043679547
Energy: 1.8804899922567113
Energy: 1.9927422653446325
Energy: 1.7028278574356546
Energy: 1.9927422653446325
Energy: 1.9097108869725534
Energy: 1.7804223062606543
Energy: 1.699248453077458
Energy: 1.7804223062606543
Energy: 1.6848725032231986
Energy: 1.6850381268739087
Energy: 1.8933405651147133
Energy: 1.6850381268739087
Energy: 2.16116563615008
Energy: 1.775184306752327
Energy: 1.7080174904531849
Energy: 1.775184306752327
Energy: 1.6989754220748168
Energy: 1.998060545100472
Energy: 1.8987548346386958
Energy: 1.998060545100472
Energy: 1.6937432267780994
Energy: 2.0064209024493533
Energy: 1.6966577938528775
Energy: 2.0064209024493533
Energy: 1.6936048874345713
Energy: 1.778424132897144
Energy: 1.7022444528804408
Energy: 1.778424132897144
Energy: 1.7002873949597654
Energy: 1.8161314859163746
Energy: 2.1497195315826154
Energy: 1.8161314859163746
Energy: 1.913378859972034
Energy: 1.9194124604018097
Energy: 1.7014837948391888
Energy: 1.9194124604018097
Energy: 1.694968232742575
Energy: 1.808578970993022
Energy: 2.021830153393206
Energy: 1.808578970993022
Energy: 1.8839047714695685
Energy: 1.913141622369396
Energy: 1.7053874846521757
Energy: 1.9131416223670883
Energy: 1.7038302673476202
Energy: 1.8976676425494847
Energy: 1.88657721351214
Energy: 1.8976676425494847
Energy: 1.699956933174864
Energy: 2.008899709108897
Energy: 1.888739593673898
Energy: 2.008899709108897
Energy: 1.7953233371597515
Energy: 1.8983480433617108
Energy: 1.702952092832153
Energy: 1.8983480433617108
Energy: 1.7039015933418482
Energy: 1.7753146439765466
Energy: 1.907566973324336
Energy: 1.775314643977316
Energy: 1.8970398887699622
Energy: 1.8097826720498327
Energy: 1.686625366678544
Energy: 1.8097826720498327
Energy: 1.7016927357774236
Energy: 1.7949488946175902
Energy: 1.8057789329665612
Energy: 1.7949488946175902
Energy: 1.8917421490100603
Energy: 1.9969025174542887
Energy: 1.8829176384955664
Energy: 1.9969025174535195
Energy: 1.811476831080034
Energy: 1.8824671949686413
Energy: 1.69417428030811
Energy: 1.8824671949678722
Energy: 1.6965767603253006
Energy: 1.9009593785831058
Energy: 1.6953138180270706
Energy: 1.9009593785823364
Energy: 2.1647326830501106
Energy: 1.8114110432603825
Energy: 1.697388373582296
Energy: 1.8114110432603825
Energy: 1.7078991701991095
Energy: 1.9316676817671667
Energy: 2.061770520252272
Energy: 1.9316676817679364
Energy: 1.8019617023662309
Energy: 1.6851707001059475
Energy: 1.6914385581795703
Energy: 1.6851707001059475
Energy: 1.804529092651765
Energy: 1.8989714232448942
Energy: 1.8801831839615506
Energy: 1.8989714232448942
Energy: 1.7149795045839722
Energy: 1.9937260438555533
Energy: 1.8793093114668153
Energy: 1.9937260438555533
Energy: 1.8011904653754065
Energy: 1.6855016789631456
Energy: 1.6905393757602096
Energy: 1.6855016789631456
Energy: 1.7028678547812184
Energy: 1.9315605009289267
Energy: 2.0596371880229176
Energy: 1.9315605009289267
Energy: 2.0529790194694093
Energy: 1.8109862611071021
Energy: 1.696638349400085
Energy: 1.8109862611071021
Energy: 1.7003079367915344
Energy: 1.7779218143719957
Energy: 1.6920936944325002
Energy: 1.7779218143719957
Energy: 1.7023188693465587
Energy: 1.8845683151919188
Energy: 1.691996624768051
Energy: 1.8845683151911496
Energy: 1.8938225717664405
Energy: 1.9959738844718558
Energy: 1.8806668133874371
Energy: 1.9959738844726247
Energy: 1.699024026594457
Energy: 1.9445227271954515
Energy: 2.161893058032448
Energy: 1.9445227271946823

minimum gb energy = 1.6848725032231986 eV
minimum distance =  2.22163173041732 Angstroms
sigma value = 73


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

Energy: 1.694128888767938
Energy: 1.6932991725383046
Energy: 2.1607406521808112
Energy: 1.6932991725383046
Energy: 1.72825955441992
Energy: 1.838316290047067
Energy: 1.7014983158839174
Energy: 1.838316290047067
Energy: 1.7188525030407997
Energy: 1.7061437194411393
Energy: 1.6963970711985767
Energy: 1.7061437201560543
Energy: 1.7058491275861276
Energy: 1.8414892627658668
Energy: 1.703989089070062
Energy: 1.8414892627658668
Energy: 1.704823198256524
Energy: 1.8214434815923048
Energy: 1.7044884758770649
Energy: 1.8214434815923048
Energy: 1.7210220597022043
Energy: 1.7073577378715252
Energy: 2.117722298753287
Energy: 1.7073577378715252
Energy: 2.137916725272654
Energy: 2.04156604546405
Energy: 1.7199252202402846
Energy: 2.04156604546405
Energy: 1.7073490245427854
Energy: 1.6925733327679753
Energy: 2.1041335550823215
Energy: 1.6925733327679753
Energy: 2.0915650057163635
Energy: 1.6929595593992541
Energy: 1.6986407501748482
Energy: 1.6929595593992541
Energy: 1.7198354177881507
Energy: 1.8244264223991384
Energy: 1.712161956186527
Energy: 1.8244264223991384
Energy: 1.7042910465912484
Energy: 1.6934741635041517
Energy: 2.0932125642609756
Energy: 1.6934741635041517
Energy: 1.8951308548993535
Energy: 1.8449856845104222
Energy: 1.7077079407618427
Energy: 1.8449856845104222
Energy: 1.7182376230470249
Energy: 1.8185803698189678
Energy: 1.8996910548561443
Energy: 1.8185803698189678
Energy: 2.164809724718441
Energy: 1.820707561164897
Energy: 1.7209296879117417
Energy: 1.820707561164897
Energy: 1.695020097874194
Energy: 1.7580533838192596
Energy: 1.8971773260360274
Energy: 1.7580533838192596
Energy: 2.0935655452581075
Energy: 1.6926486256970807
Energy: 1.7075693139880117
Energy: 1.6926486256970807
Energy: 1.7056717189509014
Energy: 1.7003424047848894
Energy: 1.718943622873769
Energy: 1.7003424047848894
Energy: 1.7033975361074736
Energy: 1.6960956131179132
Energy: 1.7193447548424052
Energy: 1.6960956131179132
Energy: 1.699838824103728
Energy: 1.6927527083751932
Energy: 1.7039997252546184
Energy: 1.6927527083751932
Energy: 1.702692481667132
Energy: 1.7587581944425112
Energy: 2.137175669580141
Energy: 1.7587581944425112
Energy: 2.1662637114064487
Energy: 1.707947191768545
Energy: 1.720453772550236
Energy: 1.707947191768545
Energy: 1.703979318320093
Energy: 1.8242580742590733
Energy: 1.9393097103132966
Energy: 1.8242580742590733

minimum gb energy = 1.6925733327679753 eV
minimum distance =  2.23364064617744 Angstroms
sigma value = 7


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

Energy: 1.7321672712799137
Energy: 1.7319994566971717
Energy: 2.1917076674078033
Energy: 1.7319994566980346
Energy: 2.1112259599750582
Energy: 1.821137258310291
Energy: 1.707351483159932
Energy: 1.821137258310291
Energy: 1.7090538122105978
Energy: 1.7314529570455888
Energy: 1.7235095303880088
Energy: 1.731452957044726
Energy: 1.7648354342333854
Energy: 1.8393145506516404
Energy: 1.7076470790275922
Energy: 1.8393145506516404
Energy: 1.7078104831362693
Energy: 1.8140328450460361
Energy: 1.7450592468659722
Energy: 1.814032845045173
Energy: 1.7091800845990797
Energy: 1.7324086334818924
Energy: 2.049523228649339
Energy: 1.7324086334818924
Energy: 1.8969362284857496
Energy: 1.8870728858511958
Energy: 1.7387489343941536
Energy: 1.8870728858511958
Energy: 1.7087183440206175
Energy: 1.7328711275316397
Energy: 2.0889524632156755
Energy: 1.7328711275316397
Energy: 1.916208701014178
Energy: 1.8242550424919866
Energy: 1.719632986701129
Energy: 1.8242550424911237
Energy: 1.7019330947961797
Energy: 1.8507186652904333
Energy: 1.8729164452674676
Energy: 1.8507186652904333
Energy: 1.7458894973183832
Energy: 1.9670765677608013
Energy: 1.757634494855876
Energy: 1.9670765677608013
Energy: 1.752397535288973
Energy: 1.8150334931238872
Energy: 1.7653932431398538
Energy: 1.8150334931238872
Energy: 1.7427406580859413
Energy: 1.73579603333928
Energy: 1.7587167815190328
Energy: 1.73579603333928
Energy: 1.733868924014644
Energy: 1.726213368497414
Energy: 1.765943016666036
Energy: 1.726213368497414
Energy: 1.6988241813731426
Energy: 1.986780022164732
Energy: 1.916005472228872
Energy: 1.986780022164732
Energy: 2.1904080807414603
Energy: 1.725746158806254
Energy: 1.72070951507097
Energy: 1.725746158805391
Energy: 1.6984678563335482
Energy: 1.813926624376151
Energy: 1.8081312634945963
Energy: 1.8139266243752878
Energy: 1.722407789928861
Energy: 1.968596131417884
Energy: 1.7633174841461046
Energy: 1.968596131417884
Energy: 1.698663908829612
Energy: 1.7338106359891516
Energy: 1.761065950043832
Energy: 1.7338106359891516
Energy: 1.7013585972710776
Energy: 1.818434807241261
Energy: 1.7612303262448257
Energy: 1.818434807241261
Energy: 1.7464733478270902
Energy: 1.9716568476387666
Energy: 1.7199081534913037
Energy: 1.9716568476387666
Energy: 1.701660903191843
Energy: 1.7312077982097982
Energy: 1.8801260662257706
Energy: 1.7312077982097982
Energy: 2.0686672262277312
Energy: 1.8248089052633478
Energy: 1.7478461658889777
Energy: 1.8248089052633478
Energy: 1.734267593586116
Energy: 1.7325715433150664
Energy: 2.0518507466003206
Energy: 1.7325715433150664
Energy: 1.7381589124210943
Energy: 1.8197683874642228
Energy: 1.7332939500911617
Energy: 1.8197683874642228
Energy: 1.7640035475679943
Energy: 1.7323999276446387
Energy: 1.736919624204007
Energy: 1.7323999276446387
Energy: 1.7104052532928862
Energy: 1.8435505184431569
Energy: 1.7257293184895945
Energy: 1.8435505184422936
Energy: 1.7738857278639544
Energy: 1.8132680980542828
Energy: 1.7079413885872452
Energy: 1.8132680980542828
Energy: 1.7100639701818527
Energy: 1.7326604044023197
Energy: 1.8826480839405833
Energy: 1.7326604044023197
Energy: 1.7342202690487754
Energy: 1.7537366487072812
Energy: 1.7078158544097968
Energy: 1.7537366487072812
Energy: 1.7100795483407731
Energy: 1.7327805187226692
Energy: 2.000311095551271
Energy: 1.7327805187235326

minimum gb energy = 1.6984678563335482 eV
minimum distance =  2.21618458346468 Angstroms
sigma value = 29


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

Energy: 1.668589443825648
Energy: 1.6621246939238097
Energy: 1.8206090259543184
Energy: 1.662124693923509
Energy: 1.6190507291581253
Energy: 1.671083277740058
Energy: 1.6717455156423278
Energy: 1.671083277740058
Energy: 1.6234121730640156
Energy: 1.7504541697271176
Energy: 1.8198758533599493
Energy: 1.7504541697271176
Energy: 1.6706873946448682
Energy: 1.6196320677700924
Energy: 1.6731498924295143
Energy: 1.619632067770393
Energy: 1.6687099487217134
Energy: 1.7243953166815253
Energy: 1.820454158648199
Energy: 1.7243953166815253
Energy: 1.6679587983812472
Energy: 1.7514398611252833
Energy: 1.667875250726046
Energy: 1.7514398611249826
Energy: 1.6228115821885802
Energy: 1.7244003396178786
Energy: 1.6687650494056576
Energy: 1.7244003396178786
Energy: 1.6730848982013058
Energy: 1.6196202476854735
Energy: 1.6707831654576133
Energy: 1.6196202476854735
Energy: 1.8198399571187744
Energy: 1.7506013104376745
Energy: 1.6903027507992379
Energy: 1.7506013104376745

minimum gb energy = 1.6190507291581253 eV
minimum distance =  2.27048453576243 Angstroms
sigma value = 5


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

Energy: 1.6138445300134925
Energy: 1.6374149842280967
Energy: 1.8867155573613774
Energy: 1.6374149842280967
Energy: 1.860892917728392
Energy: 1.665537726321214
Energy: 1.590867024781246
Energy: 1.665537726321214
Energy: 1.5741767203159671
Energy: 1.6273086948560573
Energy: 1.8645616040309057
Energy: 1.6273086948560573
Energy: 1.5996428441488901
Energy: 1.7085484854326076
Energy: 1.578474029440083
Energy: 1.7085484854326076
Energy: 1.592009922111107
Energy: 1.7185709294044915
Energy: 1.8798297431082849
Energy: 1.7185709294044915
Energy: 1.6790290741981633
Energy: 1.640910601161845
Energy: 1.5646612829766349
Energy: 1.640910601161845
Energy: 1.5738938331435803
Energy: 1.7152109100847972
Energy: 1.5637686987540793
Energy: 1.715210910083982
Energy: 1.572709368299809
Energy: 1.6427463501282868
Energy: 1.5773965298725674
Energy: 1.6427463501282868
Energy: 1.5813911663628355
Energy: 1.7153660228316883
Energy: 1.5974638753583552
Energy: 1.7153660228316883
Energy: 1.5862572103483035
Energy: 1.7158919635790384
Energy: 1.591447811124006
Energy: 1.7158919635798537
Energy: 1.6094898366937698
Energy: 1.6429699069514305
Energy: 1.5762414181968007
Energy: 1.6429699069506156
Energy: 1.5892386518831387
Energy: 1.7333376280764679
Energy: 1.6435507020303528
Energy: 1.7333376280764679
Energy: 1.6325295632949666
Energy: 1.63907915799439
Energy: 1.6423104719305486
Energy: 1.6390791579952053
Energy: 1.5910817279596503
Energy: 1.63943601517594
Energy: 1.629025975130741
Energy: 1.6394360151751248
Energy: 1.6228078082649293
Energy: 1.710589617156467
Energy: 1.5754212097758504
Energy: 1.710589617156467
Energy: 1.5840924140602786
Energy: 1.6269485742125316
Energy: 1.6167776189251055
Energy: 1.626948574213347
Energy: 1.8552300282970136
Energy: 1.736820262499621
Energy: 1.5710555651893896
Energy: 1.736820262499621
Energy: 1.5877868739539986
Energy: 1.63852556293711
Energy: 1.7343445040436833
Energy: 1.63852556293711
Energy: 1.5797121738143565
Energy: 1.7180695861479367
Energy: 1.567054138504875
Energy: 1.7180695861479367
Energy: 1.5734051812643521
Energy: 1.7015096826207026
Energy: 1.6014328470219208
Energy: 1.7015096826207026
Energy: 1.5947461225524873
Energy: 1.6405020995627684
Energy: 1.5818046979044538
Energy: 1.6405020995627684
Energy: 1.6091194115448386
Energy: 1.7154489903429675
Energy: 1.5764192592567137
Energy: 1.7154489903429675
Energy: 1.5652448157629075
Energy: 1.6406886755824364
Energy: 1.5667253813705888
Energy: 1.6406886755824364
Energy: 1.6371721887610466
Energy: 1.6413475436330127
Energy: 1.5751859823832957
Energy: 1.6413475436330127
Energy: 1.6534801632975797
Energy: 1.6237229523041243
Energy: 1.592203712722023
Energy: 1.6237229523041243
Energy: 1.6205596567347578
Energy: 1.6393416920513235
Energy: 1.5916178044014897
Energy: 1.6393416920513235
Energy: 1.5710858980398243
Energy: 1.6975467896291174
Energy: 1.6058167558132448
Energy: 1.6975467896299326
Energy: 1.6532345578854046
Energy: 1.6786587408141753
Energy: 1.5841545017374221
Energy: 1.6786587408141753
Energy: 1.576160144095362
Energy: 1.6672089478051406
Energy: 1.8626131754562931
Energy: 1.6672089478051406
Energy: 1.7521248657695565
Energy: 1.6381546694524545
Energy: 1.5873709365509776
Energy: 1.6381546694524545
Energy: 1.5755237080888365
Energy: 1.6016820418939481
Energy: 1.752159151238407
Energy: 1.6016820418939481
Energy: 1.852773411079039
Energy: 1.673848483272029
Energy: 1.5781786100095907
Energy: 1.673848483272029
Energy: 1.5874252724724756
Energy: 1.6776170473152479
Energy: 1.5704255025595224
Energy: 1.6776170473152479

minimum gb energy = 1.5637686987540793 eV
minimum distance =  2.21833245167142 Angstroms
sigma value = 1


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

Energy: 1.5710593260557986
Energy: 1.5698551065862174
Energy: 1.8352624344159782
Energy: 1.5698551065862174
Energy: 1.6088251451654674
Energy: 1.5962904444214012
Energy: 1.5289824824422087
Energy: 1.5962904444214012
Energy: 1.4941569915937287
Energy: 1.5699379066004049
Energy: 2.0515744629232
Energy: 1.5699379066015322
Energy: 1.587020924496223
Energy: 1.669897664404561
Energy: 1.5137181239018005
Energy: 1.669897664404561
Energy: 1.4942650519963527
Energy: 1.7175510475728029
Energy: 1.529676732959501
Energy: 1.7175510475728029
Energy: 1.4886472018111996
Energy: 1.576526174401286
Energy: 1.5132488237203359
Energy: 1.576526174401286
Energy: 1.4944040575593183
Energy: 1.7178025341810896
Energy: 1.5690907186089613
Energy: 1.7178025341810896
Energy: 1.494765373041158
Energy: 1.5760055262078294
Energy: 1.5961404679001605
Energy: 1.5760055262078294
Energy: 1.5694429316433987
Energy: 1.5661908384816818
Energy: 1.5674716823011814
Energy: 1.5661908384816818
Energy: 1.5694726717508498
Energy: 1.5660720069329592
Energy: 1.5952115072975595
Energy: 1.5660720069329592
Energy: 1.4947349858705101
Energy: 1.5760521054512724
Energy: 1.6071281348708057
Energy: 1.5760521054512724
Energy: 1.4944550932193976
Energy: 1.71775652960244
Energy: 1.5258030796765383
Energy: 1.71775652960244
Energy: 1.4884260378428695
Energy: 1.5765087643861553
Energy: 1.5135401567193378
Energy: 1.5765087643861553
Energy: 1.494242067327517
Energy: 1.7159002446802858
Energy: 1.7594880611976016
Energy: 1.7159002446802858
Energy: 1.5866116863670414
Energy: 1.6696141357801841
Energy: 1.5136804786081086
Energy: 1.6696141357801841
Energy: 1.4935439899389487
Energy: 1.5699622612801132
Energy: 1.6359282404574669
Energy: 1.5699622612801132
Energy: 1.6086211090750915
Energy: 1.5960972044685109
Energy: 1.5289658660132885
Energy: 1.5960972044673838
Energy: 1.5710593260557986
Energy: 1.5698551065862174
Energy: 1.8495651183922444
Energy: 1.5698551065862174
Energy: 1.6088251451654674
Energy: 1.5962904444214012
Energy: 1.5289824824422087
Energy: 1.5962904444214012
Energy: 1.4941569915937287
Energy: 1.5699379066004049
Energy: 2.0515744629232
Energy: 1.5699379066015322
Energy: 1.587020924496223
Energy: 1.669897664404561
Energy: 1.5137181239018005
Energy: 1.669897664404561
Energy: 1.4942650519963527
Energy: 1.7175510475728029
Energy: 1.5296767329640095
Energy: 1.7175510475728029
Energy: 1.4886472018100725
Energy: 1.576526174401286
Energy: 1.5132488237203359
Energy: 1.576526174401286
Energy: 1.4944040575593183
Energy: 1.7178025341810896
Energy: 1.5690907186100882
Energy: 1.7178025341810896

minimum gb energy = 1.4884260378428695 eV
minimum distance =  2.23569397810749 Angstroms
sigma value = 17


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

Energy: 1.5499708722574446
Energy: 1.5493783580390268
Energy: 1.8315616185546477
Energy: 1.5493783580390268
Energy: 1.7576809374070728
Energy: 1.5308635895155622
Energy: 1.503870410557477
Energy: 1.530863589516259
Energy: 1.5005378173213615
Energy: 1.531420278447972
Energy: 1.8532021256677274
Energy: 1.531420278447972
Energy: 1.580223802179663
Energy: 1.7754686890283966
Energy: 1.497370418393019
Energy: 1.7754686890283966
Energy: 1.4905054230494872
Energy: 1.647938345239775
Energy: 1.5485858415081386
Energy: 1.6479383452390783
Energy: 1.4864777390427917
Energy: 1.51322270750685
Energy: 1.5180189581944163
Energy: 1.51322270750685
Energy: 1.5093557748281337
Energy: 1.6246172405824852
Energy: 1.5316314214518423
Energy: 1.6246172405817887
Energy: 1.4846808704524632
Energy: 1.805191773173703
Energy: 1.4973428525006864
Energy: 1.805191773173703
Energy: 1.5477140750862872
Energy: 1.5264124853264964
Energy: 1.6018361833560697
Energy: 1.5264124853257997
Energy: 1.5504914428813452
Energy: 1.525463744470045
Energy: 1.5048626033980006
Energy: 1.5254637444693484
Energy: 1.5002148532842299
Energy: 1.491732371777344
Energy: 1.4952368305521482
Energy: 1.491732371777344
Energy: 1.5055401287941743
Energy: 1.6154764500606662
Energy: 1.5107777812245142
Energy: 1.6154764500606662
Energy: 1.48363419724797
Energy: 1.789324427507154
Energy: 1.5092787525679106
Energy: 1.7893244275064575
Energy: 1.5034215595759488
Energy: 1.6465685139995565
Energy: 1.5477457047630843
Energy: 1.6465685139995565
Energy: 1.5046868994193805
Energy: 1.7834549525017784
Energy: 1.5616315481450254
Energy: 1.783454952502475
Energy: 1.499948207153442
Energy: 1.5328846294011316
Energy: 1.5505966074266295
Energy: 1.5328846294011316
Energy: 1.5462794261543125
Energy: 1.7834920376092043
Energy: 1.5089357399661605
Energy: 1.7834920376085075
Energy: 1.4918411427980458
Energy: 1.5492998575531916
Energy: 1.5122331815300352
Energy: 1.5492998575538883
Energy: 1.76298506732741
Energy: 1.8383477821565786
Energy: 1.503902473824034
Energy: 1.8383477821565786
Energy: 1.5118992355367415
Energy: 1.532526255781493
Energy: 1.5707163346623498
Energy: 1.532526255781493
Energy: 1.5276197235045061
Energy: 1.519164127159837
Energy: 1.5140332066504125
Energy: 1.519164127159837
Energy: 1.491986203391382
Energy: 1.5498832633611375
Energy: 1.600227157291168
Energy: 1.5498832633611375
Energy: 1.5374829970986414
Energy: 1.7894319779056442
Energy: 1.5140652725597437
Energy: 1.789431977906341
Energy: 1.4986351460719638
Energy: 1.626828209776257
Energy: 1.7580048039055751
Energy: 1.626828209776257
Energy: 1.5294243118670503
Energy: 1.5505670349815597
Energy: 1.493791480603514
Energy: 1.5505670349815597
Energy: 1.511685724860122
Energy: 1.6505554904082964
Energy: 1.5232076720441194
Energy: 1.6505554904082964
Energy: 1.7370067872622368
Energy: 1.5993938244802501
Energy: 1.5020306392146925
Energy: 1.5993938244802501
Energy: 1.567322541639136
Energy: 1.7849298225299077
Energy: 1.4986467748174124
Energy: 1.7849298225299077
Energy: 1.5477016491159152
Energy: 1.6458916822992808
Energy: 1.509364129701222
Energy: 1.6458916822992808
Energy: 1.5122423475156266
Energy: 1.511571418788429
Energy: 1.5687691386568507
Energy: 1.511571418713882
Energy: 1.4966013245094347
Energy: 1.6464195614715524
Energy: 1.5051089704880605
Energy: 1.6464195614715524
Energy: 1.4984843509367007
Energy: 1.4945161739126878
Energy: 1.4956236283137152
Energy: 1.4945161739105977
Energy: 1.502075978512329
Energy: 1.5243788272521568
Energy: 1.7675350628138382
Energy: 1.5243788272187153
Energy: 1.5718779864164276
Energy: 1.8064173908317727
Energy: 1.5282809562579278
Energy: 1.8064173908317727
Energy: 1.492502835398657
Energy: 1.550818069562249
Energy: 1.5446950029004023
Energy: 1.550818069562249
Energy: 1.539686187373259
Energy: 1.626939710753146
Energy: 1.507972824401545
Energy: 1.626939710753843
Energy: 1.514061202021657
Energy: 1.512080178431754
Energy: 1.4908504406714873
Energy: 1.5120801784324507
Energy: 1.5460309965534378
Energy: 1.649738403455885
Energy: 1.5137042198935793
Energy: 1.649738403455885

minimum gb energy = 1.48363419724797 eV
minimum distance =  2.22474651307013 Angstroms
sigma value = 89


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

Energy: 1.376017513345298
Energy: 1.3757356196254775
Energy: 1.7127846753660316
Energy: 1.3757356196254775
Energy: 1.3925844835558996
Energy: 1.4204939498110845
Energy: 1.3954068823241133
Energy: 1.4204939498110845
Energy: 1.392454448142069
Energy: 1.6273714413337002
Energy: 2.256792172143751
Energy: 1.6273714413337002
Energy: 1.3746699762157724
Energy: 1.4204463660403108
Energy: 1.3959241919874985
Energy: 1.4204463660403108
Energy: 1.3921988403349383
Energy: 1.5185240322033786
Energy: 1.4756284301756901
Energy: 1.5185240322033786
Energy: 1.3916108015902733
Energy: 1.3774309535087983
Energy: 1.3801036815071903
Energy: 1.3774309535087983
Energy: 1.3927614207254346
Energy: 1.627060933982178
Energy: 1.3759648439637384
Energy: 1.627060933982178
Energy: 1.3916215373661929
Energy: 1.4854460175139992
Energy: 1.3954933810383283
Energy: 1.4854460175139992
Energy: 1.3916953641968657
Energy: 1.5222377749414024
Energy: 1.3721835155791569
Energy: 1.5222377749414024
Energy: 1.4218437647418711
Energy: 1.376486994629598
Energy: 1.3917292000107728
Energy: 1.3764869946186604
Energy: 1.3750349467918077
Energy: 1.4217553320628429
Energy: 1.3916231028074852
Energy: 1.4217553320628429
Energy: 1.375312480927254
Energy: 1.6283667600985947
Energy: 1.3954603008183795
Energy: 1.6283667600985947
Energy: 1.3918540438120568
Energy: 1.3808366054134
Energy: 1.3881885786162638
Energy: 1.3808366054134
Energy: 1.3774265768967524
Energy: 1.5184098906052899
Energy: 1.377555385509651
Energy: 1.5184098906052899
Energy: 1.3726020153824188
Energy: 1.3808320281223951
Energy: 1.3918745491582218
Energy: 1.3808320281223951

minimum gb energy = 1.3721835155791569 eV
minimum distance =  2.24756360998526 Angstroms
sigma value = 13


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

Energy: 1.3580735895764844
Energy: 1.3128530400564469
Energy: 1.6744685041886413
Energy: 1.3128530400564469
Energy: 1.5664069470515911
Energy: 1.5747529754209892
Energy: 1.304191100905799
Energy: 1.5747529754217535
Energy: 1.3146607659259057
Energy: 1.313595949774284
Energy: 1.5603286632321387
Energy: 1.31359594977352
Energy: 1.3195629599797432
Energy: 1.5745416762278577
Energy: 1.2974940880608343
Energy: 1.574541676291969
Energy: 1.3213697841858296
Energy: 1.4186109026378029
Energy: 1.3656163473927387
Energy: 1.4186109026378029
Energy: 1.2951175788866085
Energy: 1.3454574865063145
Energy: 1.3278382389755674
Energy: 1.3454574865063145
Energy: 1.3220929882033576
Energy: 1.4216155346427908
Energy: 1.4683146479606048
Energy: 1.4216155346435544
Energy: 1.30143115895624
Energy: 1.5734275924059666
Energy: 1.327716064296158
Energy: 1.5734275924067305
Energy: 1.3212665588828283
Energy: 1.4219012880029058
Energy: 1.6678418501559238
Energy: 1.4219012880029058
Energy: 1.5773427375941584
Energy: 1.6679960414436146
Energy: 1.297634390094712
Energy: 1.6679960414436146
Energy: 1.321374961334694
Energy: 1.4466183251484708
Energy: 1.3041019552894093
Energy: 1.4466183251477067
Energy: 1.3558754918445728
Energy: 1.6674813435624238
Energy: 1.3056433633268922
Energy: 1.6674813435624238
Energy: 1.3692352241093306
Energy: 1.3339056407820316
Energy: 1.333476301219818
Energy: 1.3339056407812675
Energy: 1.8007044679526079
Energy: 1.4466108417953218
Energy: 1.295900517329698
Energy: 1.4466108417953218
Energy: 1.3213191416477301
Energy: 1.3130905013065786
Energy: 1.3031777128138784
Energy: 1.3130905013058147
Energy: 1.304821386282019
Energy: 1.4468138929151242
Energy: 1.2991848198846072
Energy: 1.4468138929151242
Energy: 1.3208758965774563
Energy: 1.4101974446223504
Energy: 1.3015681827463166
Energy: 1.4101974446223504
Energy: 1.3200527901224242
Energy: 1.417696464719858
Energy: 1.34128963380532
Energy: 1.417696464719858
Energy: 1.3208037651790714
Energy: 1.3353878849186378
Energy: 1.3413785193529288
Energy: 1.3353878849186378
Energy: 1.320502258233191
Energy: 1.335209997624623
Energy: 1.3417577869640327
Energy: 1.335209997624623
Energy: 1.3202710234182524
Energy: 1.4176812902657976
Energy: 1.341208078837681
Energy: 1.4176812902657976
Energy: 1.320874521620162
Energy: 1.410268712553488
Energy: 1.3011084481721553
Energy: 1.410268712553488
Energy: 1.3047957181733154
Energy: 1.4468919950670607
Energy: 1.2994049347972763
Energy: 1.4468919950670607
Energy: 1.321300516461408
Energy: 1.3130749199481053
Energy: 1.299734775627366
Energy: 1.3130749199481053
Energy: 1.800880198739915
Energy: 1.446561455596996
Energy: 1.2951270952951108
Energy: 1.446561455596996
Energy: 1.3715701990146238
Energy: 1.3337649306912673
Energy: 1.3285652788948108
Energy: 1.3337649306912673
Energy: 1.3560935136841192
Energy: 1.6677999057711823
Energy: 1.3061014958496153
Energy: 1.6677999057711823
Energy: 1.3239841165037904
Energy: 1.4465726516272914
Energy: 1.3025098726693238
Energy: 1.4465726516272914
Energy: 1.5757131107026852
Energy: 1.6682555252903986
Energy: 1.2976030540277972
Energy: 1.6682555252896345
Energy: 1.3237139253679668
Energy: 1.4222297063912268
Energy: 1.5493471554896796
Energy: 1.4222297063912268
Energy: 1.301560028187105
Energy: 1.5739078919189817
Energy: 1.3277998067284513
Energy: 1.5739078919197458
Energy: 1.3205143583221737
Energy: 1.4216520303732205
Energy: 1.7903453073783977
Energy: 1.4216520303724565
Energy: 1.2958041430305383
Energy: 1.345645515867996
Energy: 1.3278157594357891
Energy: 1.345645515867996
Energy: 1.3274326164385073
Energy: 1.41867486889251
Energy: 1.3549052482127177
Energy: 1.4186748688917459
Energy: 1.3208008559169506
Energy: 1.5742055422721668
Energy: 1.2976026066143234
Energy: 1.5742055422714025

minimum gb energy = 1.2951175788866085 eV
minimum distance =  2.20896233538722 Angstroms
sigma value = 37


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

Energy: 1.2459634051150619
Energy: 1.2447769719029356
Energy: 1.1874416313159197
Energy: 1.24477697190425
Energy: 1.3161363132008577
Energy: 1.2446422926592409
Energy: 1.1904773240906803
Energy: 1.2446422926592409
Energy: 1.2087045481590701
Energy: 1.4199410729093174
Energy: 2.012461841228878
Energy: 1.4199410729093174
Energy: 1.1887212227622208
Energy: 1.6188924570722965
Energy: 1.1903160405758553
Energy: 1.6188924570722965
Energy: 1.1886506337848999
Energy: 1.2445444116918376
Energy: 1.1828882371213345
Energy: 1.2445444116918376
Energy: 1.1760994433031022
Energy: 1.244747627464619
Energy: 1.1839492141453325
Energy: 1.244747627464619
Energy: 1.2264089650457954
Energy: 1.303930849591459
Energy: 1.5902073835256587
Energy: 1.303930849591459
Energy: 1.188245183687408
Energy: 1.2460275251778297
Energy: 1.2496126464520196
Energy: 1.2460275251778297
Energy: 1.189217738293154
Energy: 1.2447091407680206
Energy: 1.5865800043170686
Energy: 1.2447091407680206
Energy: 1.6361464802647179
Energy: 1.2452272812965786
Energy: 1.1838714385318212
Energy: 1.2452272812965786
Energy: 1.2263487153910515
Energy: 1.3028108150050066
Energy: 1.1807348566216904
Energy: 1.3028108150050066
Energy: 1.6379489300794916
Energy: 1.2449115171397123
Energy: 1.1907369372978884
Energy: 1.244911517141027
Energy: 1.1799643142966108
Energy: 1.2448119918940874
Energy: 1.190295767833327
Energy: 1.2448119918940874
Energy: 1.5888233801947187
Energy: 1.4523488710188468
Energy: 1.1884992794451357
Energy: 1.4523488710188468
Energy: 1.2442288387025557
Energy: 1.303835122876983
Energy: 1.1883116136441314
Energy: 1.3038351228756686
Energy: 1.2447306124173994
Energy: 1.398204931478532
Energy: 1.1907535623614582
Energy: 1.398204931478532
Energy: 1.179701164054912
Energy: 1.3988199826082515
Energy: 1.1767599817578909
Energy: 1.3988199826082515
Energy: 1.1801375256666315
Energy: 1.4526404354527171
Energy: 1.188398834982673
Energy: 1.4526404354527171
Energy: 1.1899253594894728
Energy: 1.2472645077278266
Energy: 1.1891770428936754
Energy: 1.2472645077278266
Energy: 1.1806180954949466
Energy: 1.245691041805128
Energy: 1.179685886115016
Energy: 1.245691041805128

minimum gb energy = 1.1760994433031022 eV
minimum distance =  2.26502899604364 Angstroms
sigma value = 25


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

Energy: 1.141268127044405
Energy: 1.078635860979213
Energy: 1.82219432314228
Energy: 1.078635860979213
Energy: 1.4300675892948507
Energy: 1.1049784204215534
Energy: 1.0841911008216965
Energy: 1.1049784204215534
Energy: 1.0747732232277647
Energy: 1.0744657222768734
Energy: 1.424985220789732
Energy: 1.0744657222768734
Energy: 1.138449689958563
Energy: 1.3925210517154478
Energy: 1.08058212010679
Energy: 1.3925210517154478
Energy: 1.0824776717671896
Energy: 1.3940117750777419
Energy: 1.0462160048348756
Energy: 1.3940117750777419
Energy: 1.0426973575036942
Energy: 1.392606845300618
Energy: 1.0840744827895248
Energy: 1.3926068453016445
Energy: 1.083785842378671
Energy: 1.0744309696012613
Energy: 1.1395873899669202
Energy: 1.0744309696012613
Energy: 1.0414185202287956
Energy: 1.140410959468903
Energy: 1.0768192163925292
Energy: 1.140410959468903
Energy: 1.0825523821212
Energy: 1.1054331711711376
Energy: 1.4254740429322938
Energy: 1.105433171170111
Energy: 1.0490461869411616
Energy: 1.37249365402328
Energy: 1.1434791674414975
Energy: 1.37249365402328
Energy: 1.0838269848146183
Energy: 1.0745302008071826
Energy: 1.6852189084635623
Energy: 1.0745302008071826
Energy: 1.3981919482755107
Energy: 1.5361273611302948
Energy: 1.0768657106517552
Energy: 1.5361273611323476
Energy: 1.0824735442987272
Energy: 1.105378307597174
Energy: 1.369925268291281
Energy: 1.1053783075961476
Energy: 1.4141657791732987
Energy: 1.483810395602576
Energy: 1.0803932357371426
Energy: 1.483810395602576
Energy: 1.0839096923609692
Energy: 1.0746111168697972
Energy: 1.048394923210223
Energy: 1.0746111168697972
Energy: 1.411822191628614
Energy: 1.5358727926538382
Energy: 1.0813679008304211
Energy: 1.5358727926538382
Energy: 1.08238098138397
Energy: 1.1405830269637505
Energy: 1.0410904247985016
Energy: 1.1405830269637505
Energy: 1.3961468926401959
Energy: 1.3933260547910697
Energy: 1.084071888106897
Energy: 1.3933260547910697
Energy: 1.1486418316335645
Energy: 1.0741235473923691
Energy: 1.0488053883889608
Energy: 1.0741235473913424
Energy: 1.6866902284745957
Energy: 1.53651517665549
Energy: 1.0811840666288521
Energy: 1.53651517665549
Energy: 1.082731176856129
Energy: 1.5350031018638304
Energy: 1.0456893962561487
Energy: 1.5350031018628039
Energy: 1.074458058334076
Energy: 1.1053387035491975
Energy: 1.0806839091990927
Energy: 1.1053387035491975
Energy: 1.0835824003480663
Energy: 1.1986048931033997
Energy: 1.4263173695013431
Energy: 1.1986048931033997
Energy: 1.0422566158653734
Energy: 1.2685582736100383
Energy: 1.08132225833778
Energy: 1.2685582736100383
Energy: 1.0812758701322023
Energy: 1.5342944904772864
Energy: 1.4139788353887566
Energy: 1.5342944904772864
Energy: 1.0433997675031936
Energy: 1.140795968320213
Energy: 1.08493980637919
Energy: 1.140795968320213

minimum gb energy = 1.0410904247985016 eV
minimum distance =  2.26450423115828 Angstroms
sigma value = 41


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

Energy: 1.4737971646508508
Energy: 0.9981798815820278
Energy: 1.5401559440258137
Energy: 0.9981798815820278
Energy: 1.5082182814723228
Energy: 0.9752642436607375
Energy: 0.9629530559882218
Energy: 0.9752642436615789
Energy: 0.9956446388830194
Energy: 0.9598493513224037
Energy: 1.2676515893315867
Energy: 0.9598493513224037
Energy: 1.261744622281858
Energy: 1.2173683497264118
Energy: 0.9631626622706897
Energy: 1.2173683497272534
Energy: 0.9574895219853371
Energy: 1.4930188509195703
Energy: 1.4020445611935186
Energy: 1.4930188509195703
Energy: 1.014295138944286
Energy: 1.2172217842874267
Energy: 0.9630811058658554
Energy: 1.2172217842882684
Energy: 0.9618311385764835
Energy: 1.2178474808379252
Energy: 1.0144291968058796
Energy: 1.2178474808379252
Energy: 0.940067984476686
Energy: 0.9959988112477368
Energy: 0.9584047938399416
Energy: 0.9959988112477368
Energy: 0.9664259776229616
Energy: 1.233332449602614
Energy: 1.3878823956941815
Energy: 1.2333324496017724
Energy: 0.9389111438689806
Energy: 1.2069255665456595
Energy: 0.9968933411805343
Energy: 1.2069255665465008
Energy: 0.9620490564133619
Energy: 0.975710950776143
Energy: 1.6942295541521288
Energy: 0.975710950776143
Energy: 0.9410084214738887
Energy: 1.23413310062552
Energy: 1.4746070993695808
Energy: 1.2341331006263616
Energy: 0.9663397198183447
Energy: 1.3315392339172856
Energy: 1.6969671043010892
Energy: 1.3315392339172856
Energy: 1.229323664567286
Energy: 1.1125811676037842
Energy: 0.9968274500110014
Energy: 1.1125811676046258
Energy: 0.9620391775056145
Energy: 0.9751723950263125
Energy: 1.4903265439076274
Energy: 0.9751723950263125
Energy: 1.2467515097692938
Energy: 1.2329617733277576
Energy: 0.9584654219301013
Energy: 1.2329617733277576
Energy: 0.9660480946134654
Energy: 1.09928798753195
Energy: 1.2116730187405553
Energy: 1.0992879875311086
Energy: 1.2491736176565407
Energy: 1.100099093820532
Energy: 0.963268198676103
Energy: 1.100099093820532
Energy: 0.9619545290118079
Energy: 0.9961452341910064
Energy: 0.944180177428442
Energy: 0.9961452341910064
Energy: 1.2641254818011722
Energy: 1.2334077233625276
Energy: 0.9659686087138075
Energy: 1.2334077233625276
Energy: 1.0000493728674154
Energy: 1.0991719446554475
Energy: 0.9394339517453363
Energy: 1.0991719446562893
Energy: 1.6856106801353317
Energy: 1.125776106552636
Energy: 0.9629885284729842
Energy: 1.125776106552636
Energy: 1.477332915859444
Energy: 1.235506206319175
Energy: 0.9449400683664231
Energy: 1.2355062063183337
Energy: 1.4751623216611596
Energy: 1.3306027685536337
Energy: 0.9658609631674657
Energy: 1.3306027685544755
Energy: 1.0000511813771518
Energy: 1.1032657162408528
Energy: 0.9413280723375017
Energy: 1.1032657162408528
Energy: 1.4696862580827323
Energy: 1.1242175525977591
Energy: 0.9630681278731635
Energy: 1.1242175525977591
Energy: 0.9618627826021525
Energy: 1.2335741162986398
Energy: 1.2473948452115031
Energy: 1.2335741162986398
Energy: 0.9571977520178566
Energy: 1.0985918976203193
Energy: 0.9658608603564469
Energy: 1.0985918976211608
Energy: 0.9662900605569579
Energy: 1.1018707609599057
Energy: 1.2511014651375267
Energy: 1.1018707609607474
Energy: 0.9456608783448089
Energy: 1.155387775336134
Energy: 0.9668778041628384
Energy: 1.155387775336134
Energy: 0.970447204687323
Energy: 1.2336176252073479
Energy: 1.2669177629148691
Energy: 1.2336176252073479
Energy: 0.9402140590228871
Energy: 1.0985064347792155
Energy: 1.005301155368293
Energy: 1.0985064347792155

minimum gb energy = 0.9389111438689806 eV
minimum distance =  2.25963187373189 Angstroms
sigma value = 15


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

Energy: 1.3298972528522304
Energy: 0.9004445838748962
Energy: 1.5925841513586274
Energy: 0.9004445838734704
Energy: 1.5273969582106721
Energy: 0.8968086034869185
Energy: 0.8979234772334476
Energy: 0.8968086034862056
Energy: 0.9298584908258378
Energy: 0.8957308854461807
Energy: 1.5776488562633955
Energy: 0.8957308854461807
Energy: 1.3492013714949644
Energy: 0.8977088859073241
Energy: 0.89804072681055
Energy: 0.8977088859066111
Energy: 0.8941613796514727
Energy: 0.9911626521988178
Energy: 1.342851804686174
Energy: 0.991162652197392
Energy: 1.3192459936179095
Energy: 1.099880648148662
Energy: 0.8977772111428841
Energy: 1.099880648148662
Energy: 0.8970524572151953
Energy: 1.1141425584202826
Energy: 0.905111827268942
Energy: 1.1141425584202826
Energy: 1.0932053643288873
Energy: 1.1128346818484183
Energy: 0.8977030820948014
Energy: 1.1128346818484183
Energy: 0.9001224086932178
Energy: 0.9143418743229315
Energy: 1.2432475438032593
Energy: 0.9143418743236443
Energy: 0.8602205561242616
Energy: 0.8963254935265078
Energy: 0.8949354782743006
Energy: 0.8963254934559302
Energy: 0.89709991452208
Energy: 1.100656504703888
Energy: 1.3489138016528595
Energy: 1.1006565049661075
Energy: 0.8596957127715955
Energy: 1.1011311703603333
Energy: 0.9304953848660369
Energy: 1.1011311703603333
Energy: 0.8999360036903276
Energy: 0.9151801658029697
Energy: 1.7728593400529664
Energy: 0.9151801658029697
Energy: 0.8889839162162827
Energy: 0.9006577419437888
Energy: 1.3303210507067806
Energy: 0.900657741943076
Energy: 0.8971114061961482
Energy: 1.1003285656766182
Energy: 1.6986239583794547
Energy: 1.1003285656759054
Energy: 1.128306868957233
Energy: 1.1009323444890176
Energy: 0.9306170653980558
Energy: 1.1009323444897305
Energy: 0.8998326904160605
Energy: 0.9133441732238878
Energy: 1.5145964317522884
Energy: 0.913344173223175
Energy: 1.1210008384701207
Energy: 0.997567628637247
Energy: 0.8949584150803847
Energy: 0.997567628637247
Energy: 0.8973397797663888
Energy: 0.8965904356739485
Energy: 1.339297433228347
Energy: 0.8965904356732356
Energy: 1.1235671715425772
Energy: 1.100041094964827
Energy: 0.8977437013114782
Energy: 1.1000410949626884
Energy: 0.9000366586369879
Energy: 1.1299719062847768
Energy: 1.0955298925524606
Energy: 1.129971906300396
Energy: 1.1340969226300455
Energy: 0.913052386034454
Energy: 0.9032993752180416
Energy: 0.9130523860550636
Energy: 0.8972966874273728
Energy: 0.8953926680254595
Energy: 0.8712421883212261
Energy: 0.8953926680247466
Energy: 1.571201098642499
Energy: 1.0999651299459678
Energy: 0.897932193954912
Energy: 1.0999651299723452
Energy: 0.9326354187581197
Energy: 0.9308457358503537
Energy: 0.8604650567483425
Energy: 0.9308457358496408
Energy: 1.515429772326547
Energy: 0.9123400247097486
Energy: 0.9034999401453335
Energy: 0.9123400247104615
Energy: 1.3326832146191043
Energy: 0.8954193090562113
Energy: 0.8626661547317623
Energy: 0.8954193090562113
Energy: 1.6935421788331426
Energy: 1.0995853685292964
Energy: 0.8979479047214995
Energy: 1.0995853685506836
Energy: 0.9327049622437609
Energy: 1.0182501369358505
Energy: 0.8818826166725747
Energy: 1.0182501369329988
Energy: 1.3069454065818538
Energy: 0.912664222287381
Energy: 0.9033983682949236
Energy: 0.9126642222880939
Energy: 0.8973070779416885
Energy: 0.9828834220417049
Energy: 1.1411502008855174
Energy: 0.9828834220402791
Energy: 1.3094671612853541
Energy: 0.8951123672867702
Energy: 0.8978910553718246
Energy: 0.8951123672867702
Energy: 0.9000553044811332
Energy: 1.0227674125986859
Energy: 1.1407192105193167
Energy: 1.0227674125986859
Energy: 0.8708491301347079
Energy: 0.9312850121591625
Energy: 0.9034460639639768
Energy: 0.9312850121598752
Energy: 0.889378105918362
Energy: 0.9828963057476008
Energy: 1.1343149845951945
Energy: 0.9828963057297783
Energy: 0.8638803625457495
Energy: 0.8946628372315071
Energy: 0.9008076498449212
Energy: 0.8946628372307941
Energy: 0.9000974320298091
Energy: 1.0183534145208093
Energy: 1.5670218423343805
Energy: 1.0183534145208093

minimum gb energy = 0.8596957127715955 eV
minimum distance =  2.25910137383605 Angstroms
sigma value = 85


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

Energy: 1.2432929078714756
Energy: 0.8724555624269836
Energy: 1.0308828595812223
Energy: 0.8724555624269836
Energy: 1.544994130997297
Energy: 0.8667491990671987
Energy: 0.8225002425907783
Energy: 0.8667491990671987
Energy: 1.1964607579522173
Energy: 0.8664486132120015
Energy: 1.652950496728893
Energy: 0.8664486132120015
Energy: 1.3915016057753402
Energy: 0.8669424748806104
Energy: 0.8221862567519072
Energy: 0.8669424748812288
Energy: 0.8654161902277951
Energy: 0.8199150447116421
Energy: 0.7710866658791574
Energy: 0.8199150447116421
Energy: 1.3294275591163927
Energy: 0.8677109714217466
Energy: 0.8222790714535989
Energy: 0.8677109714217466
Energy: 0.8183776434947436
Energy: 1.0548053524779903
Energy: 0.8535617410766747
Energy: 1.054805352478609
Energy: 1.1744431420302894
Energy: 1.0300773723889936
Energy: 0.8223639692426218
Energy: 1.0300773723889936
Energy: 0.8217943627403435
Energy: 1.0079544576941701
Energy: 1.0485603483041703
Energy: 1.007954457693552
Energy: 0.9743875399691135
Energy: 1.0546055519445197
Energy: 0.8193506226610763
Energy: 1.0546055519439013
Energy: 0.8231103393434788
Energy: 1.0297625235751175
Energy: 1.2277324201619972
Energy: 1.0297625235751175
Energy: 0.7708362108107777
Energy: 0.8656097029262044
Energy: 0.8659961641910244
Energy: 0.8656097029262044
Energy: 0.8213871399548766
Energy: 0.8407375706136028
Energy: 1.390761656198531
Energy: 0.8407375706136028
Energy: 0.7713547524139747
Energy: 1.0301587865546395
Energy: 1.1971473704006654
Energy: 1.0301587865546395
Energy: 0.8247190452019858
Energy: 1.0301233549802247
Energy: 1.6587292596124676
Energy: 1.0301233549802247
Energy: 0.7717421387412865
Energy: 0.8724679433097858
Energy: 1.244292077751499
Energy: 0.8724679433097858
Energy: 0.8218623477383307
Energy: 0.8406967914723045
Energy: 1.658600115794364
Energy: 0.8406967914723045
Energy: 0.9865489607537694
Energy: 1.0301169413218478
Energy: 1.1972879403777081
Energy: 1.0301169413224662
Energy: 0.8223633688199696
Energy: 1.0300691156042112
Energy: 1.5040007389753662
Energy: 1.030069115601738
Energy: 0.9978507511169504
Energy: 0.8724855029992169
Energy: 0.8660295071096465
Energy: 0.8724855029992169
Energy: 0.8216040876946795
Energy: 0.8405798901349766
Energy: 1.3298975924861527
Energy: 0.8405798901349766
Energy: 0.9990124270063059
Energy: 1.029418765705472
Energy: 0.819330439126784
Energy: 1.0294187657048537
Energy: 0.8226698069048244
Energy: 0.8650965307121844
Energy: 1.1750747389608114
Energy: 0.8650965307121844
Energy: 1.0141893050244497
Energy: 0.8971809202192957
Energy: 0.8225026092076111
Energy: 0.8971809202186775
Energy: 0.8215596392240169
Energy: 0.8651464868205148
Energy: 1.0782996830508689
Energy: 0.8651464868205148
Energy: 1.3861298277522764
Energy: 1.0297153820885683
Energy: 0.8233526980303393
Energy: 1.0297153820885683
Energy: 0.8679944969438653
Energy: 0.865244083155551
Energy: 0.7710330334979134
Energy: 0.865244083155551
Energy: 1.4009656239251733
Energy: 0.8973732085866736
Energy: 0.8224108087336036
Energy: 0.8973732085866736
Energy: 1.199447768582025
Energy: 1.0304378009015644
Energy: 0.7708572524682465
Energy: 1.0304378009015644
Energy: 1.6587200564243334
Energy: 1.0298942591024
Energy: 0.8233839303834409
Energy: 1.0298942591024
Energy: 1.2460248306227832
Energy: 0.8653036000986422
Energy: 0.7736962426351403
Energy: 0.8653036000986422
Energy: 1.5290028741352033
Energy: 0.897511220787402
Energy: 0.8224660389696418
Energy: 0.897511220787402
Energy: 1.1995065069796886
Energy: 1.0303415652829329
Energy: 0.7708633406051388
Energy: 1.0303415652823145
Energy: 1.5033967910790484
Energy: 1.0296076073532308
Energy: 0.8231180624089005
Energy: 1.0296076073526124
Energy: 0.8681179409846401
Energy: 0.8651381055300504
Energy: 0.9978679153784276
Energy: 0.8651381055306687
Energy: 1.1825655411443246
Energy: 0.8932783899339125
Energy: 0.8223835541879534
Energy: 0.8932783899339125
Energy: 0.8217002968091385
Energy: 1.0296876759979008
Energy: 0.9990276137657721
Energy: 1.0296876759972824
Energy: 1.1630643463439587
Energy: 0.865072924439655
Energy: 0.8232483812139255
Energy: 0.8650729244402733
Energy: 0.8229153016336583
Energy: 0.8650109555138736
Energy: 1.0147555495388965
Energy: 0.8650109555138736
Energy: 0.7857195821646765
Energy: 0.9227129167692502
Energy: 0.8233676808451551
Energy: 0.9227129167692502
Energy: 0.8210519356117149
Energy: 1.0299502780337688
Energy: 1.386416960980703
Energy: 1.0299502780337688
Energy: 0.7735744726564802
Energy: 0.8649122941182243
Energy: 0.8678929125371447
Energy: 0.8649122941182243
Energy: 0.823400949876557
Energy: 0.8650245585306217
Energy: 1.4014886727898714
Energy: 0.8650245585312398

minimum gb energy = 0.7708362108107777 eV
minimum distance =  2.26878632438842 Angstroms
sigma value = 113


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

Energy: 0.020843579583969103
Energy: 0.02191719803112854
Energy: 1.1156596907051595
Energy: 0.02191719803112854
Energy: 1.1151991538723547
Energy: 0.4184072662046404
Energy: 0.4192944968755398
Energy: 0.4184072662046404
Energy: 0.020843579583969103
Energy: 0.02191719803112854
Energy: 1.1156365791433438
Energy: 0.02191719803112854
Energy: 1.1151991538723547
Energy: 0.41840726620511576
Energy: 0.4192944968760152
Energy: 0.4184072662046404
Energy: 0.020843579583493782
Energy: 0.021917198030706034
Energy: 1.1156762550979655
Energy: 0.02191719803112854
Energy: 1.1151991538723547
Energy: 0.4184072662046404
Energy: 0.4192944968736914
Energy: 0.4184072662046404

minimum gb energy = 0.020843579583493782 eV
minimum distance =  2.46010653743692 Angstroms
sigma value = 1