Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658364850282671
cohesive_energy=4.002359338939786
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015071612251798974
Energy: 0.015611359664654751
Energy: -4.265735176387359
Energy: 0.015611359664654751
Energy: 0.015611359664654751
Energy: -3.8057868919721685
Energy: 0.015611359665267187
Energy: -3.831820112623349
Energy: -4.274047890416377
Energy: 0.015611359665267187
Energy: 0.015071612251798974
Energy: -4.355472651627857
Energy: 0.015611359665267187
Energy: -3.81439194343961
Energy: -4.3330990670223235
Energy: -3.8401666403173933

minimum gb energy = -4.355472651627857 eV
minimum distance =  2.44924973693092 Angstroms
sigma value = 1


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

Energy: -4.646916256231217
Energy: 0.060818103997744816
Energy: -5.150220789503221
Energy: 0.06081810406452491
Energy: -0.5964965225284037
Energy: 0.03348957932668558
Energy: -0.38633302163396294
Energy: 0.033489579325942834
Energy: -0.10324637433514214
Energy: -0.6127233212896706
Energy: 0.08035152588110323
Energy: -0.6127233211708978
Energy: -0.6445369114691419
Energy: 0.1331747850326455
Energy: -0.37986555844222897
Energy: 0.133174785034131
Energy: 0.14027415798698006
Energy: -0.038386047988072824
Energy: -0.10421353274596387
Energy: -0.03841319816938736
Energy: 0.13947358634035167
Energy: -0.060884658333794486
Energy: -0.017680893319377108
Energy: -0.06088512247797545
Energy: -0.13081853050931938
Energy: 0.4258564333698225
Energy: 0.08443281547354821
Energy: 0.4258564333668514
Energy: 0.08444082910548203
Energy: 0.38334853761130555
Energy: 0.024055990137309486
Energy: 0.38334852333900044
Energy: -0.04556119762783979
Energy: 0.5988588416889533
Energy: -0.09438669097459275
Energy: 0.5988588416874676
Energy: -0.14208094525777382
Energy: -0.28321541701865593
Energy: -0.0745873098582672
Energy: -0.2831831404362165
Energy: -0.04297584805246603
Energy: 0.6163977594790634
Energy: -0.08864939180974858
Energy: 0.6163977594790634
Energy: -0.09877725880819568
Energy: -0.1879999958001461
Energy: -0.15158856922539318
Energy: -0.1879966026015695
Energy: -0.18608585718994883
Energy: -0.5204621088967994
Energy: 0.16440412803103283
Energy: -0.5202767125811351
Energy: 0.15846784634347863
Energy: -0.4254166534706465
Energy: 0.19886402006127482
Energy: -0.4254167812814785
Energy: 0.20540327771466824
Energy: 0.22771795706811893
Energy: -0.17711775770270424
Energy: 0.22771795715056437
Energy: 0.11406405860645383
Energy: 0.01190158261062703
Energy: 0.03310512082660645
Energy: 0.01190158261062703
Energy: -0.08957669876387908
Energy: -0.5909666926804663
Energy: 0.15733404627596392
Energy: -0.5909666926789809
Energy: 0.15846722290310014
Energy: -0.5409816197353655
Energy: 0.06656425042786603
Energy: -0.54098161976359
Energy: 0.20759547409459445
Energy: -0.5888812733504616
Energy: -0.09880571746231641
Energy: -0.5888812733534325
Energy: 0.027664927285892746
Energy: -0.6526451337130602
Energy: -0.5787330193545772
Energy: -0.6526451337249443
Energy: -0.11518471877946666
Energy: 0.2379949908300909
Energy: 0.13149078201291364
Energy: 0.23799499082711992
Energy: -0.042927995833088727
Energy: 0.24901031345231253
Energy: 0.13890295608677977
Energy: 0.24901031343671476
Energy: 0.08780506644328417
Energy: 0.4662595198775564
Energy: -0.3138157950987871
Energy: 0.46625951987978476
Energy: -0.10718296890082418
Energy: -0.450785688323911
Energy: -0.3075004261986195
Energy: -0.45078568912871586
Energy: -0.09733404484125278
Energy: 0.5982173463890401
Energy: -0.06009732919391709
Energy: 0.5982173463890401
Energy: -0.14734769817978668
Energy: -0.1643329233398196
Energy: -0.13629417642853445
Energy: -0.15718038849979366
Energy: -0.10441380301959483
Energy: 0.6148859037059018
Energy: -0.041729453432928436
Energy: 0.6148859037059018
Energy: -0.15008638055363732
Energy: -0.21193329760942403
Energy: -0.03708371312047882
Energy: -0.21193344116854312
Energy: 0.16170304342472647
Energy: 0.4111659781174161
Energy: -0.18023567369478072
Energy: 0.4111659781336891
Energy: 0.22187656579663786
Energy: 0.03134397055874063
Energy: 0.160993910780093
Energy: 0.031343969491136825
Energy: -0.18083903259061085
Energy: 0.22134562347683182
Energy: 0.23928133279315786
Energy: 0.2213456233669721
Energy: 0.1527327018479505
Energy: 0.01241094106837319
Energy: 0.11217882271278955
Energy: 0.012411197010770751
Energy: 0.14718022433703534
Energy: -0.5638055367828878
Energy: -0.5627988439517057
Energy: -0.563805536782145

minimum gb energy = -5.150220789503221 eV
minimum distance =  2.29000742347676 Angstroms
sigma value = 1


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

Energy: -3.1835647516681984
Energy: 0.16281450180077045
Energy: 0.15988111828793078
Energy: 0.16281450180585166
Energy: -0.11143142153229238
Energy: 0.1662149235425617
Energy: -0.17263087170582744
Energy: 0.16621492354594916
Energy: -0.004082410122394387
Energy: -0.176399620339936
Energy: 0.40371832940582486
Energy: -0.176399620378045
Energy: -0.21275829640667415
Energy: 0.1014156233511442
Energy: -0.2327410019352264
Energy: 0.10141562341465922
Energy: 0.14921483722718
Energy: 0.32333649492670513
Energy: 0.22021221864088128
Energy: 0.3233364949394081
Energy: -0.16261520619464828
Energy: 0.3520990726937205
Energy: 0.10738017396877816
Energy: 0.3520990728909634
Energy: 0.14168857732319523
Energy: 0.6377916981517786
Energy: 0.20587899127800346
Energy: 0.6377916981526255
Energy: 0.018953866645673546
Energy: 0.4898434869658782
Energy: 0.13083300090690564
Energy: 0.4898434867525832
Energy: 0.026266034187172937
Energy: 0.677824537034765
Energy: 0.1265942762100662
Energy: 0.6778245370322243
Energy: 0.011314403628696037
Energy: 0.6692424165413206
Energy: 0.06609633262728057
Energy: 0.6692424165413206
Energy: 0.2800878853750798
Energy: 0.5917014187565435
Energy: 0.1340592903571986
Energy: 0.5917014187506154
Energy: 0.25877107541067496
Energy: 0.1376255685532142
Energy: 0.07952122824245449
Energy: 0.13324191514422645
Energy: 0.1667079743123246
Energy: 0.3652592138684655
Energy: 0.31588119364946876
Energy: 0.36525921392601385
Energy: -0.19921016572473205
Energy: 0.4151579186626162
Energy: 0.20395105346895404
Energy: 0.415157918657535
Energy: 0.23410161652889092
Energy: -0.28240554512996935
Energy: 0.07588733287313842
Energy: -0.28240554515368166
Energy: -3.746274817534702
Energy: -0.3350185147302235
Energy: -0.2292800534460205
Energy: -0.33501850347105167
Energy: 0.09082648178327392
Energy: -0.2507716875084197
Energy: 0.2841381511613453
Energy: -0.25077168747881784
Energy: -0.04031634882028956
Energy: -0.34981538055589395
Energy: 0.13182299960078306
Energy: -0.34981538055758765
Energy: 0.26297394376688
Energy: 0.4136657440917853
Energy: 0.20480546291635016
Energy: 0.4136657440621835
Energy: -0.2867585190993715
Energy: 0.15890249418139582
Energy: 0.23843380709127654
Energy: 0.15890249413909094
Energy: 0.13552890647545907
Energy: 0.5828358590680488
Energy: 0.16388114422324135
Energy: 0.5828358590739768
Energy: 0.14053304121166382
Energy: -0.2184855143711105
Energy: 0.13595511664944332
Energy: -0.21834280594103114
Energy: 0.13674419383952557
Energy: 0.6650137914505616
Energy: 0.11471352738811079
Energy: 0.6650137914505616
Energy: 0.09515920246152229
Energy: 0.5758284329850762
Energy: 0.0930036941399619
Energy: 0.5758284329859231
Energy: 0.274417566890511
Energy: 0.6281426674349303
Energy: 0.04341267507907867
Energy: 0.628142667429849
Energy: 0.2896444913398572
Energy: 0.14791242981611746
Energy: 0.06120910224820691
Energy: 0.14790064281258494
Energy: 0.16256131135499913
Energy: 0.3754052732450565
Energy: 0.3102943606779619
Energy: 0.37540527323065975
Energy: 0.22734879486312642
Energy: 0.37865214126421276
Energy: 0.20784944022911245
Energy: 0.3786521412616722
Energy: 0.2356126275039842
Energy: -0.23503604041326695
Energy: 0.07088867868871429
Energy: -0.2350360404141138

minimum gb energy = -3.746274817534702 eV
minimum distance =  2.26759928119791 Angstroms
sigma value = 25


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

Energy: -2.188921594036448
Energy: 0.2780266182659829
Energy: 0.2836705357496167
Energy: 0.2780266182689363
Energy: -0.005039247739644383
Energy: 0.259433911134841
Energy: 0.1977100165989933
Energy: 0.25943391116826797
Energy: -0.04367001625785519
Energy: -0.031071225766095115
Energy: 0.5214008721116671
Energy: -0.031071225783815448
Energy: -2.4138165358612866
Energy: 0.2855286149156216
Energy: 0.2650005441820168
Energy: 0.28552861502879007
Energy: 0.3028006686859147
Energy: 0.4875333151416107
Energy: 0.33239203111462107
Energy: 0.48753331515337944
Energy: 0.20649030600889767
Energy: 0.38524911906440995
Energy: 0.24828856483159734
Energy: 0.38524911906539433
Energy: 0.33433275051768835
Energy: 0.7040060116670178
Energy: 0.35213092570486065
Energy: 0.7040060116689867
Energy: 0.18285028287636576
Energy: 0.5840864666018508
Energy: 0.24730039344370813
Energy: 0.5840864666225245
Energy: 0.3424554051658617
Energy: 0.7407642438748044
Energy: 0.20402454703955866
Energy: 0.7407642438748044
Energy: 0.29019026644448903
Energy: 0.5682741012828022
Energy: 0.24922093713480112
Energy: 0.5682741012188568
Energy: 0.30745541063165177
Energy: 0.46002400428612683
Energy: 0.3547084167369445
Energy: 0.460024004282189
Energy: 0.30437350788828016
Energy: 0.44551161178821214
Energy: 0.20605756114916396
Energy: 0.4455116117842743
Energy: -0.04027578101832757
Energy: -0.02271278738095554
Energy: 0.3200820206867052
Energy: -0.022712787376033224
Energy: 0.2721236321301656
Energy: 0.12753083506712176
Energy: 0.07845505582809552
Energy: 0.1275308350690907
Energy: 0.2880128295134617
Energy: -0.036148525331986064
Energy: -0.0007769065192363265
Energy: -0.036148525328048214
Energy: -2.6280424872208914
Energy: -0.004602416911235898
Energy: -2.5514286408712854
Energy: -0.0046024169200960625
Energy: 0.3404991881510008
Energy: 0.48355561863088914
Energy: 0.3016542147251957
Energy: 0.4835556187263372
Energy: 0.3589554626730534
Energy: 0.46024227818909513
Energy: 0.21252697280111962
Energy: 0.4602422781999242
Energy: 0.3518903044456554
Energy: 0.7437923261600989
Energy: 0.32874619780292813
Energy: 0.7437923261630521
Energy: 0.24072104700854347
Energy: 0.6674232542570399
Energy: 0.3377771556444541
Energy: 0.6674232542550709
Energy: 0.20464449850275634
Energy: 0.7367305551535415
Energy: 0.3529937029949132
Energy: 0.7367305551515726
Energy: 0.19772105659727673
Energy: -2.84832580469191
Energy: 0.24820270290340427
Energy: -3.002036875009242
Energy: 0.35569276754193646
Energy: 0.5079721457741548
Energy: 0.3100886517922533
Energy: 0.5079721457623413
Energy: 0.2716264070682124
Energy: 0.5119180186652184
Energy: 0.31345158127034634
Energy: 0.5119180186662028
Energy: 0.3190034179609443
Energy: -0.030105919090858843
Energy: 0.07834974120169438
Energy: -0.030105919079045293

minimum gb energy = -3.002036875009242 eV
minimum distance =  2.27918553207992 Angstroms
sigma value = 9


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

Energy: 0.4927032587881202
Energy: 0.45216040217884124
Energy: 0.3205983919764043
Energy: 0.45216040217531805
Energy: 0.1989369574234139
Energy: 0.4575770582310527
Energy: 0.43602526479610576
Energy: 0.45757705824397105
Energy: 0.18713219751790447
Energy: 0.12703574508342982
Energy: -1.453657523446842
Energy: 0.12704834569379816
Energy: -1.380468528619921
Energy: 0.6100910233634441
Energy: 0.3626119405388636
Energy: 0.6100910233681417
Energy: 0.5428221162687847
Energy: 0.6521249820588454
Energy: 0.5059279290752083
Energy: 0.6521249820412295
Energy: 0.32264892748829826
Energy: 0.6074828740430651
Energy: 0.3950125484266414
Energy: 0.6074828738235604
Energy: 0.6017499195984186
Energy: 0.8441922132418808
Energy: 0.5134155393768467
Energy: 0.8441922132418808
Energy: 0.5198358740835481
Energy: 0.7932121692948213
Energy: 0.31388451291959557
Energy: 0.7932125835036422
Energy: 0.504933745101839
Energy: 0.6502955783438101
Energy: 0.4246397835098485
Energy: 0.6502955783355895
Energy: 0.3679979758774598
Energy: 0.6617598383415748
Energy: 0.4303180132238659
Energy: 0.6617598383427491
Energy: 0.44585345527058157
Energy: -1.3591278801609856
Energy: 0.24848769991590317
Energy: -1.3271129127204935
Energy: -1.492698211555746
Energy: 0.15464114466906193
Energy: -1.2607236322102289
Energy: 0.15464114466201556
Energy: -1.4286628412125404
Energy: 0.17340977529922838
Energy: 0.2837885154302748
Energy: 0.17340941189793288
Energy: -1.3865314019729185
Energy: -1.3111441813028875
Energy: -1.3953471031548315
Energy: -1.4021515218584897
Energy: 0.541652620497329
Energy: 0.6808565362876864
Energy: 0.5005106730571215
Energy: 0.6808565362524547
Energy: 0.3617058894044422
Energy: 0.6092075059227628
Energy: 0.39944901485135803
Energy: 0.6092074916731316
Energy: 0.6021838104987818
Energy: 0.8133304877671724
Energy: 0.5117099220810547
Energy: 0.8133304828157714
Energy: 0.6055512879995291
Energy: 0.8267375688012133
Energy: 0.3416468104024106
Energy: 0.8267375687976901
Energy: 0.514028289029322
Energy: 0.6570598559882682
Energy: 0.413795699568339
Energy: 0.6570598559859194
Energy: 0.5367614055053492
Energy: 0.6290610480500358
Energy: 0.42256836589698044
Energy: 0.6290610481498058
Energy: 0.4455258483987501
Energy: 0.20535757406237876
Energy: -1.4278092494267536
Energy: 0.20535757406237876

minimum gb energy = -1.492698211555746 eV
minimum distance =  2.29626046135306 Angstroms
sigma value = 25


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

Energy: 0.8731866280154026
Energy: 0.6351035716898282
Energy: 0.6023066815799659
Energy: 0.6351035717043518
Energy: 0.3569119141327277
Energy: 0.6374740231580737
Energy: 0.45369289951525493
Energy: 0.6374740231580737
Energy: 0.5041115171341236
Energy: 0.42327383455235973
Energy: 0.6403588438949059
Energy: 0.42327383455526446
Energy: 0.4845122004456999
Energy: 0.6460708292715581
Energy: 0.655065202272713
Energy: 0.6460708292715581
Energy: 0.7601410744590691
Energy: 0.8124472323923306
Energy: 0.6921849953365244
Energy: 0.8124472323923306
Energy: 0.5053764778659317
Energy: 0.8242548600748725
Energy: 0.6423698221184878
Energy: 0.8242548600792294
Energy: 0.8255358199529454
Energy: 0.8059822854321752
Energy: 0.7459199580057877
Energy: 0.8059822854321752
Energy: 0.6572542735171512
Energy: 0.784538728267761
Energy: 0.6012948502938337
Energy: 0.7845387282604992
Energy: 0.48172103355568563
Energy: 0.42209608397782106
Energy: 0.3749289026829927
Energy: 0.42209608397491627
Energy: 0.48453642645931055
Energy: 0.4323208961275334
Energy: 0.39171228792766943
Energy: 0.43232089608396246
Energy: 0.6279406926593283
Energy: 0.6415979913881501
Energy: 0.5036520606545892
Energy: 0.6415979913881501
Energy: 0.538587297678609
Energy: 0.4537432912957148
Energy: 0.49883204761894734
Energy: 0.45374329119843937
Energy: 0.6427464882134873
Energy: 0.8294768991488168
Energy: 0.760555857895013
Energy: 0.8294768991488168
Energy: 0.5926989522035299
Energy: 0.8546848011328179
Energy: 0.49495259234000943
Energy: 0.8546848011328179
Energy: 0.750306029635933
Energy: 0.804401978710816
Energy: 0.6585521435042557
Energy: 0.8044019787122684
Energy: 0.6023699077500312
Energy: 0.8236475707213985
Energy: 0.6592825517107869
Energy: 0.823647570715589
Energy: 0.37874766193197135
Energy: 0.4270827909105339
Energy: 0.4782457373604335
Energy: 0.42708279088732903

minimum gb energy = 0.3569119141327277 eV
minimum distance =  2.29237328999363 Angstroms
sigma value = 17


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

Energy: 0.771129260897499
Energy: 0.17468930751550604
Energy: -0.4567729143992178
Energy: 0.17468930765036683
Energy: -0.05507901549775283
Energy: 0.5240304962173312
Energy: -0.3386764694668847
Energy: 0.5240304962206214
Energy: 0.4836056183395599
Energy: 0.4209361418395427
Energy: 0.3700440040577062
Energy: 0.4209361417441643
Energy: 0.4924813389710184
Energy: 0.8346855641147698
Energy: 0.5007857477412132
Energy: 0.8346855641147698
Energy: -0.3936519218680127
Energy: 0.8691435667143534
Energy: 0.516276086287032
Energy: 0.8691435667143534
Energy: 0.49115119588850936
Energy: 0.982590136118829
Energy: 0.5130125805256122
Energy: 0.982590136118829
Energy: 0.43279904894111354
Energy: 0.5134104166398329
Energy: 0.5371798129399461
Energy: 0.5134104166398329
Energy: 0.444355733107463
Energy: 0.5386801320565612
Energy: -0.1575981939455086
Energy: 0.5386801320549162
Energy: 0.29387386517932523
Energy: -0.3243484234611113
Energy: 0.42742583944288887
Energy: -0.32434840829179734
Energy: 0.44950967216151394
Energy: -0.2366072469147207
Energy: 0.4760359577100322
Energy: -0.23660722830210118
Energy: 0.525239982079309
Energy: 0.8054533554559196
Energy: 0.5392908900038091
Energy: 0.8054533554526293
Energy: 0.4811758279381237
Energy: 0.05453703865363073
Energy: 0.593442545611344
Energy: 0.05339834853931701
Energy: 0.5237265346254486
Energy: 0.8005629064453958
Energy: 0.6521393608997661
Energy: 0.8005629066197016
Energy: 0.3831057731453649
Energy: 0.7114015167545376
Energy: 0.5054762705577341
Energy: 0.7114015167191681
Energy: -0.11251836550012928
Energy: 0.3698489551458432
Energy: 0.45913808791902017
Energy: 0.36984895515077854
Energy: -0.4051506667974803
Energy: -0.2235658675721315
Energy: 0.4700508471369252
Energy: -0.22356586762391475
Energy: 0.4930072619376293
Energy: 0.5208869624769029
Energy: -0.3768798048696958
Energy: 0.52088696247279
Energy: 0.42408390729515166
Energy: 0.5432435267981653
Energy: 0.5368842559065908
Energy: 0.5432435267973428
Energy: 0.5124876638505407
Energy: 0.07973211483329957
Energy: 0.5035263391117932
Energy: 0.059143640572099296
Energy: 0.69335029765103
Energy: 0.9255997403141465
Energy: 0.525571694130037
Energy: 0.9255997403141465
Energy: 0.5443264696451602
Energy: 0.48748918182273926
Energy: 0.4780391210456535
Energy: 0.48748919487409964
Energy: 0.3738411875083837
Energy: -0.14561960896588078
Energy: 0.3737718880850333
Energy: -0.14561955240698238
Energy: 0.4783592321546329
Energy: -0.2592504711292542
Energy: -0.17833182518776963
Energy: -0.25924552925134364
Energy: 0.430288486172974
Energy: -0.22113880345840356
Energy: 0.483257942179284
Energy: -0.22113880347649964
Energy: 0.49779141696875756
Energy: 0.8685878749366784
Energy: 0.45956959766779953
Energy: 0.8685878749358559
Energy: 0.5584842269010707
Energy: 0.7038528753156983
Energy: 0.5130385076997377
Energy: 0.7038528757580431
Energy: 0.541089029963459
Energy: 0.9126593793498932
Energy: 0.4978585931620973
Energy: 0.9126593793540059
Energy: 0.5767240781798509
Energy: 0.8203781770200665
Energy: 0.27529102265014394
Energy: 0.8203781770208891
Energy: -0.4186290816207232
Energy: 0.8109788206927413
Energy: 0.5289017780745635
Energy: 0.8109788206795805
Energy: 0.46296731892880555
Energy: 0.3559470837823683
Energy: -0.25481780680526084
Energy: 0.35594708384566726

minimum gb energy = -0.4567729143992178 eV
minimum distance =  2.2741897271567 Angstroms
sigma value = 53


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

Energy: 1.279575814147352
Energy: 0.7440901819276541
Energy: 0.7953716975732971
Energy: 0.7440901819333349
Energy: 0.5722657705176918
Energy: 0.6137207202257137
Energy: 0.6312979501260882
Energy: 0.6137207199039649
Energy: 0.6522096093983516
Energy: 0.6164034840991033
Energy: 0.7377021133779339
Energy: 0.6164034841047842
Energy: 0.6471128157857668
Energy: 0.7451929544474745
Energy: 0.6048034999926745
Energy: 0.7451929544436872
Energy: 0.6252631334408093
Energy: 0.7449323466075931
Energy: 0.74704255866708
Energy: 0.7449323466056995
Energy: 0.609852045427681
Energy: 0.780977007485044
Energy: 0.746484967713572
Energy: 0.780977007485044
Energy: 0.5793833391077016
Energy: 0.612909677791572
Energy: 0.6598112917516152
Energy: 0.6129096777858912
Energy: 0.5997607082626041
Energy: 0.5891916768199164
Energy: 0.6181757565454451
Energy: 0.5891916803197291
Energy: 0.6529219425634394
Energy: 0.621282890171435
Energy: 0.7365192412706629
Energy: 0.6212828901752223
Energy: 0.6654810650121576
Energy: 0.622412131167759
Energy: 0.6266626219419539
Energy: 0.6224121311601843
Energy: 0.6433931253019612
Energy: 0.7817069242843656
Energy: 0.7479201624403022
Energy: 0.7817069242843656
Energy: 0.6531134105860595
Energy: 0.7423141885855186
Energy: 0.8156128208171528
Energy: 0.7423141885855186
Energy: 0.5949439805465577
Energy: 0.597125943347834
Energy: 0.6361975650083758
Energy: 0.5971259433402594

minimum gb energy = 0.5722657705176918 eV
minimum distance =  2.29704163141937 Angstroms
sigma value = 9


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

Energy: 0.39328918706945803
Energy: 0.46306096758054865
Energy: 0.5153141297381145
Energy: 0.46306096758195037
Energy: -0.4548710554580588
Energy: 1.1080690560531645
Energy: 0.46888309953803636
Energy: 1.1080690560566688
Energy: 0.522803184444046
Energy: 0.5287777940806055
Energy: -0.18530605944989506
Energy: 0.5287777936826377
Energy: -0.8049402741371829
Energy: 0.5300805037165843
Energy: 0.388548390143816
Energy: 0.5300805037116781
Energy: -0.7943769532707455
Energy: 0.8422870639528104
Energy: -0.6078696320996382
Energy: 0.8422870640957247
Energy: -0.4433106832360241
Energy: 0.8670564910003073
Energy: -0.6568930222604729
Energy: 0.8670564910010081
Energy: 0.4769343206832263
Energy: -0.3768071878050329
Energy: -0.4660777054066057
Energy: -0.3768070300906112
Energy: 0.5712274496450769
Energy: 0.3176685094856113
Energy: 0.3126870626437806
Energy: 0.3176685094849105
Energy: 0.4930623998971977
Energy: 0.813399727668144
Energy: 0.5041966612094679
Energy: 0.8133998624840582
Energy: 0.8050951284042528
Energy: 0.7804548176832348
Energy: -0.5203393922917975
Energy: 0.7804548200546033
Energy: -0.8259736719771417
Energy: -0.7273336172675353
Energy: 0.5632173533826845
Energy: -0.7273336165207244
Energy: 0.5109573379634739
Energy: 0.4916784229859521
Energy: 0.2943647707726266
Energy: 0.4916784229859521
Energy: 0.5032913094430731
Energy: -0.40085406779810223
Energy: -0.3962805371216597
Energy: -0.30181335599702913
Energy: 0.45099937528524164
Energy: -0.7570365027339415
Energy: -0.728474414315837
Energy: -0.7776434473265862
Energy: -0.6422648763849595
Energy: 0.7402668527325126
Energy: 0.4952424988625628
Energy: 0.7402668450830682
Energy: 0.46179627868288303
Energy: 0.9576752142138627
Energy: 0.4942382165569981
Energy: 0.9576752142124609
Energy: -0.3521805690963871
Energy: 1.0401284013384544
Energy: 0.4875554377665643
Energy: 1.040128401341258
Energy: -0.3923513721094268
Energy: -0.6563181067359023
Energy: 0.5530758073421901
Energy: -0.6563181060101175
Energy: -0.6357964313288084
Energy: 1.0102239486909743
Energy: 0.5772975004309424
Energy: 1.010223948691675
Energy: -0.23499740157947183
Energy: 0.5223878020915181
Energy: 0.5319991963637394
Energy: 0.5223878020845093
Energy: 0.4294207365661524
Energy: 0.5280143527841068
Energy: -0.7081875222601853
Energy: 0.5280143527841068
Energy: -0.7074963886865852
Energy: -0.09352052760981654
Energy: -0.7199556505107751
Energy: -0.4711817288886897
Energy: -0.6287629835205215
Energy: -0.39531620350067015
Energy: 0.48070579929551227
Energy: -0.5323479817235597
Energy: 0.3786322281889401
Energy: -0.325191333409936
Energy: 0.4857194747426872
Energy: -0.32519133080103557
Energy: -0.5833179366374991
Energy: 0.2753454241617568
Energy: 0.5411805048709092
Energy: 0.2753454241533463
Energy: 0.504066895719545
Energy: 0.8355519994027046
Energy: 0.530037679361537
Energy: 0.8355520352076424
Energy: -0.3771449485637455
Energy: 0.8393682100890701
Energy: 0.799780139798199
Energy: 0.8393682096771485
Energy: 0.5671505022657759
Energy: -0.6623397154143363
Energy: -0.8559284506571825
Energy: -0.6623391450688543
Energy: -0.18397917364818475
Energy: -0.49242379469890374
Energy: 0.45723517662312996
Energy: -0.4924237947066133
Energy: -0.3197287694261055
Energy: -0.8107454429376664
Energy: 0.4914453388883422
Energy: -0.8107455001160782
Energy: 0.5284113027087242
Energy: -0.6645893015362133
Energy: 0.43003237497377084
Energy: -0.6645889152154416
Energy: 0.5389817381395358
Energy: 0.7641163673983443
Energy: -0.5921692681582039
Energy: 0.7641163676778648
Energy: 0.4917960467374987
Energy: 0.9740307993212911
Energy: 0.4655336215183645
Energy: 0.974030799317086
Energy: 0.5447743505396467
Energy: 1.0355746472097478
Energy: 0.5647255126924561
Energy: 1.0355746472062435
Energy: 0.5531241235805933
Energy: -0.6450522326150607
Energy: -0.6557615706767665
Energy: -0.6450522340021501

minimum gb energy = -0.8559284506571825 eV
minimum distance =  2.26084708568053 Angstroms
sigma value = 73


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

Energy: 0.5035014989904941
Energy: 0.5275852061747914
Energy: -0.40228643640408784
Energy: 0.52758520618811
Energy: 0.39949460271792525
Energy: 0.9104918161862946
Energy: 0.4027528480247266
Energy: 0.9104918161807347
Energy: 0.44723092320875224
Energy: 0.455467869565572
Energy: 0.4363710534355476
Energy: 0.455467869566684
Energy: -0.34077579231327454
Energy: 0.6383060225798436
Energy: 0.4154571708130014
Energy: 0.6383060225743089
Energy: -0.3530089410288453
Energy: 0.8205938137895398
Energy: 0.24715178909388166
Energy: 0.8205938137950997
Energy: -0.3120446398817866
Energy: 0.7639636412788087
Energy: 0.21998769073508675
Energy: 0.7639636303261051
Energy: 0.4724270040611204
Energy: 0.5751850576765069
Energy: 0.24162528392824265
Energy: 0.5751850569173712
Energy: 0.38826308794529923
Energy: 0.4837140430976277
Energy: 0.5343573694173535
Energy: 0.4837140430954037
Energy: 0.36676066259605744
Energy: 0.9042993287244726
Energy: 0.3177851309340065
Energy: 0.9042993287233607
Energy: -0.16543191857547015
Energy: 0.7995091510726414
Energy: 0.4576848268137794
Energy: 0.799509151107088
Energy: 0.48932563821185016
Energy: 0.5267364908780167
Energy: 0.3753336848679734
Energy: 0.5267364908802407
Energy: 0.49468103652733575
Energy: 0.5353422645838742
Energy: 0.5644999392241393
Energy: 0.5353422646038901
Energy: 0.5312967844053273
Energy: 0.7043844845732573
Energy: 0.3780468041110899
Energy: 0.7043844845576894
Energy: 0.5392374828198618
Energy: 0.645539981655117
Energy: 0.5513604174338851
Energy: 0.6455399815339605
Energy: 0.4633372165907855
Energy: 0.6903430018212582
Energy: 0.48977349976948414
Energy: 0.6903430018223702
Energy: -0.18328814119007483
Energy: 0.774058092342556
Energy: 0.4803703104442528
Energy: 0.7740580924303527
Energy: 0.44242262622603995
Energy: 0.1838301300692971
Energy: 0.5449668758825825
Energy: 0.1821987233157527
Energy: -0.2824187843557972
Energy: -0.49094494436015806
Energy: 0.3581442826683845
Energy: -0.4675839190883415
Energy: -0.31365472888830775
Energy: -0.2526786744057591
Energy: 0.5114650668995832
Energy: -0.2355173707170287
Energy: 0.32323816964604163
Energy: 0.039475299103186756
Energy: 0.4278769844429378
Energy: 0.0429356192905417
Energy: -0.2425167849288342
Energy: 0.6766282125861744
Energy: 0.5130917937762501
Energy: 0.6766282127906796
Energy: 0.5927851214301348
Energy: -0.24256805115679803
Energy: 0.42537562448002975
Energy: -0.24256804063314588

minimum gb energy = -0.49094494436015806 eV
minimum distance =  2.25071042109311 Angstroms
sigma value = 7


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

Energy: -0.19941464528553252
Energy: -0.1492421164184183
Energy: -0.32104628109639954
Energy: -0.14924211647578214
Energy: -0.5433427564486879
Energy: 0.12234229002380202
Energy: -0.48012386615014746
Energy: 0.12234680080808329
Energy: -0.20453918696100984
Energy: 0.6905183008704541
Energy: -0.2179673948055204
Energy: 0.6905183008806759
Energy: -0.3506124002362583
Energy: -0.35201354003191476
Energy: -0.34890083327301147
Energy: -0.35201354255871314
Energy: -0.2465421176069505
Energy: -0.3716838816865755
Energy: 0.4779004449380674
Energy: -0.3716838817196
Energy: -0.5919946427743538
Energy: 0.7139067504361791
Energy: 0.4803056214529481
Energy: 0.713906748067319
Energy: 0.030075651794205266
Energy: -0.12183218399119844
Energy: -0.5536267073488369
Energy: -0.11226198394245811
Energy: -0.3262158111159048
Energy: -0.6185651439466262
Energy: -0.3026468801884725
Energy: -0.6256305594182976
Energy: -0.5431503918537505
Energy: -0.6210775485419494
Energy: -0.6976442783092973
Energy: -0.6210774914366207
Energy: -0.33433238190233067
Energy: 0.8825834613063748
Energy: -0.7157771761830521
Energy: 0.8825834613055884
Energy: -0.534547700869261
Energy: -0.2932756280149291
Energy: -0.30652472126891184
Energy: -0.29327553923748495
Energy: -0.2785086513845674
Energy: -0.371968544960027
Energy: 0.5669216329428942
Energy: -0.37196854485630737
Energy: -0.25175112444398695
Energy: 0.6912015143241407
Energy: -0.6932351142753904
Energy: 0.6912015143162777
Energy: -0.32914975925948314
Energy: -0.2565081030966606
Energy: -0.6216824081129184
Energy: -0.25650810359102644
Energy: -0.5125443022752346
Energy: 0.7307467787864645
Energy: -0.6231083905281251
Energy: 0.7307467787078707
Energy: 0.0024385161440048293
Energy: -0.401025874878456
Energy: -0.2608627836486131
Energy: -0.40102587510401577
Energy: -0.1762745990515327
Energy: -0.482112149248777
Energy: -0.2761977727247808
Energy: -0.4821121496598312
Energy: -0.25632062608940576
Energy: 0.9290950774708442
Energy: -0.0954321915077654
Energy: 0.9290950774629814
Energy: -0.16429387097460854
Energy: -0.5558269514332744
Energy: -0.5428636599998968
Energy: -0.5557589382942926
Energy: -0.613707413817116
Energy: -0.37352063611687997
Energy: -0.4216227659862661
Energy: -0.37339508774765223
Energy: -0.6239389699091891
Energy: 0.7785112862871504
Energy: 0.47368319528666053
Energy: 0.7785112862934409
Energy: -0.08904288861858176
Energy: 0.6948577823305537
Energy: -0.5071685727607099
Energy: 0.6948577823234772
Energy: -0.05646811463980019
Energy: -0.30020384515014936
Energy: -0.1510987522216193
Energy: -0.30020361439139076
Energy: -0.24129039211106765
Energy: -0.3018432559881919
Energy: -0.7548550772902494
Energy: -0.30184325595992095
Energy: -0.289058208339528
Energy: -0.46399616044005515
Energy: -0.6327608338552945
Energy: -0.46399617795726766
Energy: -0.361648160984249
Energy: -0.030328809400320005
Energy: -0.6459168367456403
Energy: -0.030328948046881018
Energy: -0.5392377545431061
Energy: -0.5085841600604106
Energy: 0.01496232043162466
Energy: -0.508584156392375
Energy: -0.5617671374037884
Energy: -0.1360497888840389
Energy: -0.5535308735418362
Energy: 0.091792865235989
Energy: -0.2921159248810705
Energy: -0.6233983088321622
Energy: -0.3396964097044841
Energy: -0.6233983088384525
Energy: -0.5986780977817228
Energy: 0.7826942260532773
Energy: -0.467511951401528
Energy: 0.7826942261004193
Energy: 0.012779174756225226
Energy: -0.2976468818635216
Energy: -0.5717859389078691
Energy: -0.2976468819130225

minimum gb energy = -0.7548550772902494 eV
minimum distance =  2.25849076530065 Angstroms
sigma value = 29


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

Energy: 0.8902702937227234
Energy: 0.8675823063628795
Energy: -0.40887265453399274
Energy: 0.8675823063620882
Energy: 0.3331008193813697
Energy: -0.4149235734197181
Energy: -0.38599721221641176
Energy: -0.3849683824956225
Energy: -0.3657361990522534
Energy: -0.3272948203018862
Energy: 0.7172797927880271
Energy: -0.4168882459926307
Energy: 0.5407573320945953
Energy: -0.09124966072433022
Energy: -0.4561284402194255
Energy: -0.10118485673157307
Energy: -0.023038836025318796
Energy: -0.2982587805083247
Energy: 0.5353390555044394
Energy: -0.29825878356797186
Energy: -0.04798942530032673
Energy: -0.2733574561843484
Energy: 0.5370121362698174
Energy: -0.27335746618501844
Energy: 0.7189936385558525
Energy: -0.32605833918670757
Energy: -0.537324229854921
Energy: -0.3260585555250937
Energy: -0.38656120089503293
Energy: -0.33017106583941974
Energy: 0.5484804952776697
Energy: -0.33017107601650486
Energy: 0.5444605724425489
Energy: -0.39948365528795476
Energy: -0.3426108249612811
Energy: -0.3992983068064071

minimum gb energy = -0.537324229854921 eV
minimum distance =  2.2797530759775 Angstroms
sigma value = 5


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

Energy: 0.35417904482355833
Energy: -0.3357929172832757
Energy: -0.5150938020576741
Energy: -0.33579081402288774
Energy: -0.35442815135226735
Energy: -0.5509406479552414
Energy: -0.44360720083823524
Energy: -0.5518043674345728
Energy: 0.19939832251803857
Energy: -0.2938075884223568
Energy: -0.4494053070757158
Energy: -0.3205337475977609
Energy: -0.4630716580071893
Energy: 0.22001874968804405
Energy: -0.49114290412800915
Energy: 0.22001874963456594
Energy: -0.45639349201568885
Energy: -0.4734550288704327
Energy: 0.06711992241119799
Energy: -0.48715895145485266
Energy: -0.4410358017026179
Energy: -0.41518382209591376
Energy: 0.06220325433821486
Energy: -0.41518986934485497
Energy: -0.5539208767175081
Energy: -0.5556658893722862
Energy: -0.4536779520813462
Energy: -0.5556658942655998
Energy: -0.544496125566614
Energy: -0.06293186102318973
Energy: -0.26631206180178474
Energy: -0.06290599127412926
Energy: -0.1267066275101819
Energy: 0.19875805125603682
Energy: -0.18671596784351158
Energy: 0.1987580512293653
Energy: 0.0006667289799311852
Energy: -0.533064140141035
Energy: -0.5680949959555268
Energy: -0.5312152550650822
Energy: -0.45272675774326654
Energy: -0.5054516938489071
Energy: -0.5519897913029368
Energy: -0.5054513276100924
Energy: 0.014134434236635237
Energy: -0.5333897233287906
Energy: -0.4951078699284745
Energy: -0.5333896865306598
Energy: 0.021136677387022077
Energy: -0.5168994718597124
Energy: -0.40908120651285595
Energy: -0.48406416514384143
Energy: -0.43444290489243714
Energy: -0.2791275011136521
Energy: -0.09856319008253493
Energy: -0.2791235620785077
Energy: -0.46614548436884135
Energy: -0.44229602298023596
Energy: -0.21055947736433525
Energy: -0.45213583648510636
Energy: -0.4563995758526299
Energy: -0.5294203776299339
Energy: -0.3649530226622998
Energy: -0.5294203782505364
Energy: -0.593585585857997
Energy: -0.5925453385533438
Energy: -0.04106122920313834
Energy: -0.5957196491584581
Energy: -0.3201204391553889
Energy: 0.7021856440795596
Energy: -0.3683650762736217
Energy: 0.7021856440803025
Energy: -0.36975464054292
Energy: -0.23726671436460842
Energy: 0.21972463707568407
Energy: -0.228797206662083
Energy: -0.40722905260508807
Energy: -0.4939200342174836
Energy: -0.3747292236035803
Energy: -0.49392786050753607
Energy: 0.06494924148660607
Energy: -0.43101313801033647
Energy: -0.4287939723891355
Energy: -0.43165060397139404
Energy: 0.0811340533045675
Energy: -0.4819337131631172
Energy: -0.5604876322935508
Energy: -0.4819836351055651
Energy: -0.39109079598415536
Energy: -0.5050183888159616
Energy: -0.4376169079523677
Energy: -0.5050189843257151
Energy: -0.37332575123493217
Energy: -0.30478475519053816
Energy: -0.5894741499786375
Energy: -0.3123376786732201
Energy: -0.049444788777548244
Energy: -0.38679498166478704
Energy: -0.13568895731224484
Energy: -0.4262305816039496
Energy: -0.550771942950648
Energy: -0.30942635951313885
Energy: -0.01290432157783636
Energy: -0.30968368700884175
Energy: -0.5699229261096694
Energy: -0.5868953890891188
Energy: -0.4431719589268123
Energy: -0.5821029263382074
Energy: -0.5195275811352926
Energy: -0.5677996217209561
Energy: -0.2042543135695581
Energy: -0.5677991516879047
Energy: -0.5003141514786459
Energy: -0.4009569629005577
Energy: -0.010869825630940555
Energy: -0.4008947238385339
Energy: -0.14532536118396844
Energy: 0.22696386165257015
Energy: -0.5216404098111324
Energy: 0.2269638616273166
Energy: -0.23514860039597565
Energy: -0.5119184737098567
Energy: -0.5565807086963807
Energy: -0.51191581793192
Energy: -0.40837962344665857
Energy: -0.5268671176143662
Energy: -0.5179427681776985
Energy: -0.5268671175720293
Energy: -0.03679214194934109
Energy: -0.5296520283720109
Energy: -0.5660497317415245
Energy: -0.5147154170897386

minimum gb energy = -0.5957196491584581 eV
minimum distance =  2.20883451733922 Angstroms
sigma value = 1


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

Energy: 0.3832399678815349
Energy: -0.16598564610628083
Energy: -0.37565482379857973
Energy: -0.16598538323683634
Energy: -0.31788042619345913
Energy: -0.19868679866139782
Energy: -0.03255461736038542
Energy: -0.19868668949912058
Energy: -0.12963722388058296
Energy: 0.3219938600282664
Energy: -0.4649410176903032
Energy: 0.31811692619442056
Energy: 0.002893725674606044
Energy: -0.02350748177076904
Energy: -0.2131725068128473
Energy: -0.02528893356326019
Energy: -0.1879385212408796
Energy: -0.3409815928533207
Energy: 0.10072118491137814
Energy: -0.3409816629831931
Energy: -0.28442642005943125
Energy: -0.2795137648558582
Energy: 0.08354068682851372
Energy: -0.2795137649872179
Energy: -0.30237394675000606
Energy: -0.23681430618439034
Energy: -0.3057164806354152
Energy: -0.23681430618952526
Energy: -0.5131444446843481
Energy: 0.32778704520873253
Energy: 0.045573161064127635
Energy: 0.3277868899967173
Energy: -0.18522339593035578
Energy: -0.03835425970461966
Energy: 0.2640297753488321
Energy: -0.038247227191337246
Energy: 0.20653855151072115
Energy: 0.4619320299547273
Energy: -0.4464145872708823
Energy: 0.46193200369838217
Energy: -0.1700452007953404
Energy: -0.27448549816867707
Energy: -0.565667531659556
Energy: -0.27448549815429946
Energy: 0.3998374799495405
Energy: -0.25927470129366315
Energy: -0.2887997840941542
Energy: -0.25927470129366315
Energy: 0.8142465869981322
Energy: -0.2777921326688233
Energy: -0.3073589919169939
Energy: -0.2777921349117875
Energy: -0.08289717990676673
Energy: 0.6150583224537297
Energy: -0.3043799655353994
Energy: 0.6150583224547567
Energy: -0.13270645505531248
Energy: -0.16199785449661172
Energy: -0.0664929254404817
Energy: -0.16199785449661172
Energy: -0.19266199525191594
Energy: 0.04171486983737498
Energy: -0.3177018872506252
Energy: 0.04171488354345549
Energy: -0.3639609562061101
Energy: -0.48880777655528707
Energy: 0.09873241641137313
Energy: -0.48880777636744366
Energy: -0.49107955312737306
Energy: -0.41208964626493494
Energy: 0.02903484501895782
Energy: -0.4049140531570413
Energy: -0.3369593412768811
Energy: -0.3119647022108726
Energy: 0.20255618211091386
Energy: -0.3119642275784158
Energy: -0.3529046954360115
Energy: 0.3067664161049516
Energy: 0.03522785502609112
Energy: 0.3067623854981442
Energy: 0.2867192671154233
Energy: 0.04142097619521242
Energy: -0.16082711757733797
Energy: 0.04142097619110451
Energy: 0.317145069124046
Energy: -0.291691751181949
Energy: -0.28460183437105385
Energy: -0.29169175144168086
Energy: -0.09512980438867069
Energy: -0.2739444757033868
Energy: -0.2908541306937666
Energy: -0.27394447577625547
Energy: 0.8180755019112671
Energy: -0.5497552874792064
Energy: -0.5332595858234529
Energy: -0.5497550510611862

minimum gb energy = -0.565667531659556 eV
minimum distance =  2.21722788492577 Angstroms
sigma value = 17


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

Energy: -0.3307379178102248
Energy: -1.1533952916137913
Energy: -1.2520721459779396
Energy: -1.1533953131902182
Energy: -0.803894587325342
Energy: 0.6011621107049963
Energy: -1.0838171924649227
Energy: 0.6011621106999759
Energy: -0.8333595282913987
Energy: 0.46496623818562643
Energy: -0.703515803911015
Energy: 0.4649659604221496
Energy: -0.3882878239984853
Energy: -0.6101579715024374
Energy: -1.0165877662738498
Energy: -0.6101676093608335
Energy: -0.28986498514350273
Energy: -1.2689274187694206
Energy: -0.40469552105956724
Energy: -1.26892727088806
Energy: -1.2775843911480997
Energy: -1.3057849159902954
Energy: -0.33478312659599174
Energy: -1.3057849164839028
Energy: -1.0996172749747042
Energy: -1.2960999613480684
Energy: -1.262317148249277
Energy: -1.2960998379166642
Energy: -1.2558664520806697
Energy: -1.2719379254193488
Energy: -0.47709595250202513
Energy: -1.2719286047479332
Energy: -0.9191763208365775
Energy: -0.8456503720750487
Energy: -0.6890520847996243
Energy: -0.8456020139969649
Energy: -0.8382388913767996
Energy: -0.8747400697165822
Energy: -0.8421723764981185
Energy: -0.8645884942081403
Energy: -0.9158793858745623
Energy: -1.2838883109210621
Energy: -1.0499140984794004
Energy: -1.2838577526415054
Energy: -0.4535249130379808
Energy: -1.157649072733228
Energy: -0.9064265660391542
Energy: -1.08806215709653
Energy: -0.2460561389718747
Energy: -1.087803673935711
Energy: -1.1664011806080306
Energy: -1.0873850205915145
Energy: -1.0450517789270726
Energy: -0.9816887509180279
Energy: -1.0435948385270568
Energy: -0.9682574088128918
Energy: -0.22443778772794343
Energy: -1.0011939356065114
Energy: -1.1122956744160106
Energy: -1.0011939388720876
Energy: -0.7284116333364898
Energy: -0.4456794537352277
Energy: -1.1644895275481832
Energy: -0.44568003324207384
Energy: -0.8061774202196632
Energy: -1.2056390636721062
Energy: -0.48920200848375617
Energy: -1.1743270461597504
Energy: -1.0502718983076793
Energy: -0.9961647248660568
Energy: -0.8627221292181826
Energy: -0.9961647244340204
Energy: -0.9926441875777936
Energy: -1.0012329543248237
Energy: -0.4166958409602331
Energy: -1.0012329529721062
Energy: -1.1380191730089988
Energy: -1.2727954922150457
Energy: -0.07536459961294276
Energy: -1.2728491077549413
Energy: -0.8709107487414339
Energy: -1.2039372945817826
Energy: -0.7922167623291548
Energy: -1.1719296702326678
Energy: -0.7474017322597896
Energy: -0.4495545967389865
Energy: -0.9025762632824894
Energy: -0.4494761804123164
Energy: -0.9938498541402956
Energy: -1.159883993973941
Energy: -0.3723441710139891
Energy: -1.1768309264807433
Energy: -0.36281236918032606
Energy: -1.277203117412103
Energy: -1.1389617516717676
Energy: -1.2771948900858365
Energy: -0.3305464865025214
Energy: -1.3079440594000908
Energy: -1.3145835462496085
Energy: -1.307944686477676
Energy: -1.2241758542175165
Energy: -1.2448372549118814
Energy: -1.2865459740119467
Energy: -1.2448366460874427
Energy: -0.8149279450804672
Energy: -1.2102714576158697
Energy: -1.24430765640151
Energy: -1.2267558849927243
Energy: -0.897416649414574
Energy: -0.8948046688053105
Energy: -0.6514838929072647
Energy: -1.0108821745478247
Energy: -0.7995553047569444
Energy: 0.3670776690705939
Energy: -0.5311609036431255
Energy: 0.36710777015171464
Energy: -0.8757823301661674
Energy: -1.2063916132242372
Energy: -0.1750946012840814
Energy: -1.1535060374049162
Energy: -0.48661048053832295
Energy: -1.286080157001717
Energy: -0.16268340558581773
Energy: -1.2794936897360147
Energy: -1.1569898878342815
Energy: -1.1423254306075397
Energy: -0.06068383204932937
Energy: -1.1784259997259663
Energy: -1.1368610128687104
Energy: -1.1193994222032964
Energy: -1.071743552867854
Energy: -1.1193993614628064
Energy: -1.09401482940089
Energy: -0.8293199072215185
Energy: -0.23324231637460965
Energy: -0.8293992037672757
Energy: -0.9750538406990374
Energy: -0.5450120431490489
Energy: -0.7163798949033527
Energy: -0.5450485096369236
Energy: -0.46710194858129717
Energy: -1.1733289193618628
Energy: -1.1635747344168241
Energy: -1.1801510813683296
Energy: -1.1676834818288306
Energy: -1.0720001218998154
Energy: -1.2694395260648539
Energy: -1.0720001242276875
Energy: -0.3973682608722029
Energy: -1.155184196549104
Energy: -1.1516671346526546
Energy: -1.1551815658618012

minimum gb energy = -1.3145835462496085 eV
minimum distance =  2.19306842050171 Angstroms
sigma value = 89


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

Energy: -0.17076681253296275
Energy: 1.1811554014812393
Energy: -1.0087825889648898
Energy: 1.1811554014812393
Energy: -0.2108257333303345
Energy: -0.8748545933387647
Energy: -0.9667874236677577
Energy: -0.8609865628390401
Energy: -0.6622165986700329
Energy: -0.85433537165851
Energy: -0.914311337431545
Energy: -0.8524748495061258
Energy: -0.649126307099435
Energy: -0.82409224948558
Energy: -0.9739267188983036
Energy: -0.7914166634697776
Energy: -0.6527995661700258
Energy: -0.9312846613429475
Energy: -0.26498002724718994
Energy: -0.8731379826309864
Energy: -0.9770766379474107
Energy: -0.9766179684701697
Energy: -0.25574548385191276
Energy: -0.986527372654311
Energy: -0.8895926036114105
Energy: -1.0499121648795642
Energy: -1.0303978735576218
Energy: -1.036673358147014
Energy: -0.9885284791797954
Energy: -1.0072101359368362
Energy: -0.5671294035717455
Energy: -1.0147456961921493
Energy: -0.9827897398565
Energy: -0.9297347980333543
Energy: -0.6427702560222438
Energy: -0.9489440035785283
Energy: -0.995642308401956
Energy: -0.8707945112310796
Energy: -0.6799560244141346
Energy: -0.8641276975611323
Energy: -1.011665693048501
Energy: -0.8485627466900744
Energy: -0.7066730572462243
Energy: -0.9728790805664375
Energy: -0.2540774050571857
Energy: -0.9221332864428343
Energy: -0.5996339055880024
Energy: -0.9746962394751663
Energy: -0.2419527246904861
Energy: -0.9052480897059305
Energy: -0.8825701226060844
Energy: -0.9351232181248114
Energy: -0.994547454235245
Energy: -1.0282890759365266
Energy: -0.9605383049567209
Energy: -1.0421907883283976
Energy: -0.6859119921465157
Energy: -0.9353698797123191
Energy: -1.1036736780137464
Energy: -0.9892765110697186

minimum gb energy = -1.1036736780137464 eV
minimum distance =  2.24529651336017 Angstroms
sigma value = 13


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

Energy: -0.7738124658176873
Energy: -1.045777143727993
Energy: -1.6864717877871556
Energy: -1.0457771391745438
Energy: -1.3788338575205197
Energy: -0.884166326979516
Energy: -1.6572142882154026
Energy: -0.8841663272487881
Energy: -1.5738582382797748
Energy: -0.40646372466944236
Energy: -0.7238397178249872
Energy: -0.40631161208942584
Energy: -0.35425989373007355
Energy: -1.4657256276614465
Energy: -1.5880662634168154
Energy: -1.465740390746228
Energy: -1.5678594663463041
Energy: -1.4015609514537963
Energy: -1.2869395748496475
Energy: -1.3841889953482742
Energy: -0.8516958311777656
Energy: -1.464525542397614
Energy: -1.3945182316263174
Energy: -1.5006805055218917
Energy: -0.8065831814732466
Energy: 0.5462919241674118
Energy: -1.4982664203419016
Energy: 0.546291924187536
Energy: -0.8641057864285385
Energy: -1.8601485873462855
Energy: -1.08706053721543
Energy: -1.8557134379203015
Energy: -1.7365336516694698
Energy: -1.5709824051484613
Energy: -1.0652098955645
Energy: -1.5710429229809832
Energy: -1.79506635182145
Energy: -1.6994660022861132
Energy: -1.503657653554855
Energy: -1.6994656597187483
Energy: -1.7188363694941273
Energy: -1.5917814577190872
Energy: -0.906952145387121
Energy: -1.591781500567125
Energy: -0.933844425648836
Energy: -1.6814813064028173
Energy: -1.5284700540547282
Energy: -1.717998297488731
Energy: -1.593582850020382
Energy: 0.45311740660393457
Energy: -1.5250210130296638
Energy: 0.4531174065775453
Energy: -1.5108601133751474
Energy: -0.9067435522382957
Energy: -0.2169206794997196
Energy: -0.907537230264761
Energy: -1.2708642285368557
Energy: -1.7920588039847616
Energy: -0.8756307859558581
Energy: -1.7920588765237841
Energy: -1.3325429835040983
Energy: -1.756635938419942
Energy: -1.7995559147650764
Energy: -1.7472965145302206
Energy: -1.2578579553911104
Energy: -1.00271471976719
Energy: -1.7303134737698913
Energy: -1.0027147193678068
Energy: -0.9864880902993378
Energy: -1.6174136148062763
Energy: -1.718343306576913
Energy: -1.6151900750356503
Energy: -1.1122752853493825
Energy: -1.6375937138999603
Energy: -1.6599240464894967
Energy: -1.6383254227674413
Energy: -1.544486632157854
Energy: -1.4364612286950396
Energy: -0.6838877770015352
Energy: -1.4386081855171684
Energy: -0.47441446596100684
Energy: -1.6950650134065115
Energy: -1.643820213547647
Energy: -1.694645614416552
Energy: -1.5221361182404907
Energy: -1.625949978301029
Energy: -1.3464632100605671
Energy: -1.6279510648248174
Energy: -1.559404085205523
Energy: -1.1425091453773866
Energy: -0.45990863635300744
Energy: -1.144839339908743
Energy: -1.6006809605745773
Energy: 0.47534750998560654
Energy: -1.5705507277862247
Energy: 0.47534751025905525
Energy: -0.8837362773444141
Energy: -1.7553164191524195
Energy: -1.0780909314192029
Energy: -1.750820387192139
Energy: -1.7244051465083083
Energy: -1.7462310340869913
Energy: -1.0702676761016137
Energy: -1.6810016977070863
Energy: -1.8081674236679566
Energy: -0.7278183748584383
Energy: -1.511065066343903
Energy: -0.7278133795261108
Energy: -1.7943826351361578
Energy: -1.732299826280526
Energy: -1.1850931373891547
Energy: -1.7324963942441791
Energy: -1.0864964812918403
Energy: -1.7834238806771403
Energy: -1.269637172515331
Energy: -1.783583763717669
Energy: -0.8051748075376445
Energy: -1.2729937685100936
Energy: -1.5843040288577068
Energy: -1.2775414657223534
Energy: -1.4118248548621388
Energy: -1.6324397618627353
Energy: -0.34081607783492596
Energy: -1.6317397173745998
Energy: -1.3098389974457112
Energy: -1.6982923076564405
Energy: -0.9590836027845902
Energy: -1.6982922328964147
Energy: -1.2688497292654164
Energy: -1.7711810536240435
Energy: -1.7968470435187516
Energy: -1.7711806809997248
Energy: -1.241638094755241
Energy: -1.465657118831057
Energy: -1.1624108897268015
Energy: -1.465643412327172
Energy: -1.0587806862502942
Energy: -1.8039011404995675
Energy: -1.7329129033479336
Energy: -1.7978611161552738

minimum gb energy = -1.8601485873462855 eV
minimum distance =  2.18432283060801 Angstroms
sigma value = 37


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

Energy: 0.05051193764733839
Energy: -0.38269881533035793
Energy: -0.8141121325321182
Energy: -0.40026010836193304
Energy: -0.505441713090581
Energy: -0.7589540996694968
Energy: -0.5354267986399991
Energy: -0.7575088990032561
Energy: -0.532008320021116
Energy: 0.6842806584800663
Energy: -0.5139185632073024
Energy: 0.684280658498031
Energy: -0.5943382027844185
Energy: -0.757043848453264
Energy: -0.6160978620413109
Energy: -0.7559461470226289
Energy: -0.6984471173791572
Energy: 0.2140394586468199
Energy: -0.35115815050673316
Energy: 0.2140729693342354
Energy: -0.8113562047948174
Energy: 0.31447066784601885
Energy: -0.479477012926086
Energy: 0.31447067802629386
Energy: -0.2319574335580105
Energy: 0.40392651416552117
Energy: -0.5848409289289986
Energy: 0.403926514057787
Energy: -0.6387991062984398
Energy: 0.05530303536891997
Energy: -0.19255216987217327
Energy: 0.05530315089328893
Energy: -0.507331596123009
Energy: -0.8200079411458082
Energy: -0.13580239204185002
Energy: -0.8111833080464025
Energy: -0.7655858804100695
Energy: -0.6422834648895762
Energy: -0.6490274458927007
Energy: -0.5911959242237932
Energy: -0.7940308080088379
Energy: -0.9346352470267625
Energy: 0.2077869635723375
Energy: -0.9210161335068691
Energy: -0.407823809626887
Energy: -0.8809973179831433
Energy: -0.6044032817464066
Energy: -0.8810011856227775
Energy: -0.6476776810567421
Energy: -0.9905911727609241
Energy: -0.5382850151085226
Energy: -0.9887002870456764
Energy: -0.48986430486072235
Energy: 0.010100463531191073
Energy: -0.5727323482064797
Energy: 0.011056478368782095
Energy: -0.3600246425779481
Energy: 0.2136985014790648
Energy: -0.5231792741859441
Energy: 0.2136985012803637
Energy: -0.49067178010612134
Energy: 0.4090477304365501
Energy: -0.871172978455342
Energy: 0.4090477295470768
Energy: -0.6359088545160706
Energy: -0.8304112985831821
Energy: -0.44753130328287394
Energy: -0.8383565107988915
Energy: -0.20347258005662255
Energy: -0.9783688483173991
Energy: -0.876704897376373
Energy: -0.9600994183525012
Energy: -0.18649944837410934
Energy: -0.43863906718963347
Energy: -0.5957532700199164
Energy: -0.4604289296501602
Energy: -0.5002788440119962
Energy: -0.2847450831585622
Energy: -0.5234619238346184
Energy: -0.2847034284858561

minimum gb energy = -0.9905911727609241 eV
minimum distance =  2.23900852142613 Angstroms
sigma value = 25


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

Energy: -0.6488225623253701
Energy: -0.6978896736774937
Energy: -1.6112375318798844
Energy: -0.6978896743664019
Energy: -1.0542049932354336
Energy: -1.5267535552738722
Energy: -1.540091694639233
Energy: -1.5267341736962998
Energy: -0.8713473486236474
Energy: -1.6903885470027866
Energy: -1.5646425595792302
Energy: -1.6975593565355587
Energy: -0.8572116816101484
Energy: 0.25816076192126763
Energy: -1.0616595075870734
Energy: 0.25816076191191556
Energy: -0.9399097867130997
Energy: -0.466377863535227
Energy: -1.0869676031296647
Energy: -0.44378519486382556
Energy: -1.2974696570112427
Energy: -1.1324082631259036
Energy: -1.053569751372888
Energy: -1.3361718678635575
Energy: -1.1254688824717811
Energy: 0.7549051006163946
Energy: -1.0902867578646038
Energy: 0.7549051006163946
Energy: -0.8875789744045414
Energy: -1.3599076725484882
Energy: -0.8642922904316372
Energy: -1.397709344211056
Energy: -1.4039339579407009
Energy: -1.3884537440709501
Energy: -1.034996514646424
Energy: -1.3892643636498963
Energy: -1.4120003908029017
Energy: -0.7152676585635996
Energy: -0.9544988596221764
Energy: -0.715267657717619
Energy: -1.6972078372481647
Energy: -1.6912507598463462
Energy: -0.4486261480400607
Energy: -1.738944856973982
Energy: -0.7796943648308401
Energy: -0.9067074592136202
Energy: -1.0846275157953253
Energy: -0.9300506044041499
Energy: -0.7718357524649506
Energy: -0.8513729327729569
Energy: -1.0070379024700957
Energy: -0.8513673003202283
Energy: -1.2286370328183207
Energy: -0.685664681113143
Energy: -0.8253281722791534
Energy: -0.6856646811010279
Energy: -1.5060629544704573
Energy: 0.21507060105614972
Energy: -1.0217711397345617
Energy: 0.2150708825082276
Energy: -1.56175667846489
Energy: -0.8708091591127949
Energy: -0.9481989009183673
Energy: -0.8208456291115339
Energy: -1.1448456296790794
Energy: 0.4145920151161907
Energy: -1.0760239647704037
Energy: 0.41459201511525556
Energy: -1.079890097452802
Energy: -0.7287487742897227
Energy: -0.9704084992624135
Energy: -0.7290114914195643
Energy: -1.056250658239519
Energy: -0.27915233512855986
Energy: -1.252611304522806
Energy: -0.27915233515381044
Energy: -1.0166869172200588
Energy: -1.0888977575254302
Energy: -1.259932085793245
Energy: -1.0960043620077886
Energy: -0.8043861534546313
Energy: -1.5695826380112727
Energy: -0.9320567561575758
Energy: -1.5224410981465388
Energy: -1.1094893450408567
Energy: -0.0005802936763129157
Energy: -0.7144613101678011
Energy: -0.0005802936464287694
Energy: -0.7859266197519426
Energy: -0.9133710802845697
Energy: -1.361370596082205
Energy: -0.9133710850015463
Energy: -0.6155948895993736
Energy: -1.4552657777151943
Energy: -1.6936020048159153
Energy: -1.4548524481715903
Energy: -1.0306167129829311
Energy: -1.4171930022349102
Energy: -0.7689344055031401
Energy: -1.4171930022676422
Energy: 0.3052400169973924
Energy: -0.7868375086280777
Energy: -1.6850369443073328
Energy: -0.7868375028566966

minimum gb energy = -1.738944856973982 eV
minimum distance =  2.26233667341388 Angstroms
sigma value = 41


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

Energy: -0.9742762971429411
Energy: -1.497101196678271
Energy: -2.0601045317613274
Energy: -1.4971012993765933
Energy: -1.321985444721202
Energy: -1.6283975373044453
Energy: -1.7289174048787201
Energy: -1.6233022541274702
Energy: -1.2133891399724854
Energy: -2.1106909975311905
Energy: -1.9957091851011213
Energy: -2.1108560975182065
Energy: -1.3808095544221755
Energy: -1.8274220185172207
Energy: -1.6706721517790106
Energy: -1.8167477752768801
Energy: -1.4074611791178222
Energy: -1.7260794874419265
Energy: -1.8621535784275869
Energy: -1.7628136694177328
Energy: -1.4587471862367791
Energy: -0.5498480510872769
Energy: -1.7530598655201477
Energy: -0.7052855960256605
Energy: -1.7229946362780402
Energy: 0.5905105832100654
Energy: -1.4989664148279869
Energy: 0.5905105831410957
Energy: -1.5537576441234835
Energy: -0.6207965902792553
Energy: -1.569817605541287
Energy: -1.698265356886733
Energy: -1.772378844261552
Energy: -0.5080403155645351
Energy: -1.589209904594152
Energy: -0.5080410286329528
Energy: -1.9342870794596558
Energy: 0.2019667759110002
Energy: -1.5338695192110816
Energy: 0.20196677590179962
Energy: -1.6832127414419762
Energy: -1.3315147358664383
Energy: -1.2020711310664811
Energy: -1.3217082317961675
Energy: -1.984768863471291
Energy: 0.439141413533184
Energy: -1.3603230556613066
Energy: 0.439141413533184
Energy: -1.8023564655472608
Energy: -2.293531995877316
Energy: -1.0819825078491947
Energy: -2.293534413590022
Energy: -1.8619390090412375
Energy: -1.7838982506178556
Energy: -1.0236763686384118
Energy: -1.757875695049432
Energy: -2.3701488245062627
Energy: -2.2079660694703023
Energy: -1.423428006977168
Energy: -2.207966069327728
Energy: -1.0114147372074083
Energy: -1.849732478316386
Energy: -0.9248326173960774
Energy: -1.8497324782520164
Energy: -1.3808285135578926
Energy: -1.9428015834316537
Energy: -1.6497438934222144
Energy: -1.9428009852024903
Energy: -2.0459710170181693
Energy: -2.2049169960251622
Energy: -1.409596619707066
Energy: -2.192234591985374
Energy: -1.946549335799909
Energy: -1.7110726891273267
Energy: -1.086780021828476
Energy: -1.7021741091957496
Energy: -1.6362188816581282
Energy: 0.1310330289243948
Energy: -1.1475302417303455
Energy: 0.1310330289596638
Energy: -1.4990766335124428
Energy: -0.1260673634439993
Energy: -1.341568503757628
Energy: -0.12606734451754975
Energy: -1.673838757621917
Energy: -1.489785043394872
Energy: -1.6814332041075282
Energy: -1.717829853474109
Energy: -1.60515266718588
Energy: -1.5435650759810218
Energy: -1.494814582021054
Energy: -1.5292135948287404
Energy: -1.5486584558434395
Energy: -1.6486237378615625
Energy: -1.5817800670978264
Energy: -1.7189959312498215
Energy: -1.496147934972051
Energy: -1.7190398728842573
Energy: -1.78874845742638
Energy: -1.7507034929799283
Energy: -1.4334713582377179
Energy: -1.9174234418530252
Energy: -1.8537064886878076
Energy: -1.8794092014993296
Energy: -1.2226264110804141
Energy: -0.4467977607559776
Energy: -1.8804891657871994
Energy: -0.44679631625751937
Energy: -1.4598604264331008
Energy: 0.12228306195743052
Energy: -1.0081888215296673
Energy: 0.12228306195589711
Energy: -0.8859482367761455
Energy: -1.8157815423792671
Energy: -1.7402982305108206
Energy: -1.8157815422152592
Energy: -1.067689726890417
Energy: -1.7336535090434109
Energy: -1.9807985037144002
Energy: -1.7336535090687126
Energy: -1.3864570823026523
Energy: -2.378434883466242
Energy: -2.282671836792498
Energy: -2.3783289689977285
Energy: -1.6354174809562405
Energy: -2.0826645001910884
Energy: -1.91219144899193
Energy: -2.082662729533388

minimum gb energy = -2.378434883466242 eV
minimum distance =  2.24006533214586 Angstroms
sigma value = 15


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

Energy: -1.7189926238480044
Energy: -2.2781948023028513
Energy: -2.391413365626546
Energy: -2.278194822501007
Energy: -1.711760729774329
Energy: -2.693000691228536
Energy: -2.3366089502694014
Energy: -2.7525845085105707
Energy: -1.1803620666481904
Energy: -2.7436721965541953
Energy: -2.5076135795295236
Energy: -2.743671698824833
Energy: -1.656576536415336
Energy: -2.468432359936445
Energy: -1.6206001502010248
Energy: -2.4684323641337436
Energy: -1.511465776204914
Energy: -2.106012742620911
Energy: -1.819450682804885
Energy: -2.1479203507149776
Energy: -1.8131363501804143
Energy: -2.2645962764174037
Energy: -1.6759463042441685
Energy: -2.7405690912972647
Energy: -1.7515848773391165
Energy: 0.3900825679687931
Energy: -2.12478706321564
Energy: 0.390082567967494
Energy: -1.823661177185945
Energy: -1.7482857987304599
Energy: -2.06535441541034
Energy: -1.7482393706601704
Energy: -1.7563469336706605
Energy: -2.2983375484069475
Energy: -1.8828813605252923
Energy: -2.287910998795168
Energy: -1.7885279029669314
Energy: -1.531807322851869
Energy: -1.999586376588798
Energy: -1.5324738753750151
Energy: -1.9424719136183586
Energy: -2.5745855787545278
Energy: -1.618036751958627
Energy: -2.6448550764638754
Energy: -2.259768828066027
Energy: -1.046395467018471
Energy: -2.060126745716824
Energy: -0.8770697954401708
Energy: -1.9883544237246018
Energy: -2.669718707659887
Energy: -1.6157877133874832
Energy: -2.664101540929308
Energy: -2.127147266263664
Energy: -2.6936300555253534
Energy: -1.6178380076577599
Energy: -2.6936071975704623
Energy: -1.4235984871359253
Energy: 0.36029202909288627
Energy: -1.8874973917876567
Energy: 0.3602920290941853
Energy: -1.531249414486796
Energy: -2.7103092397597592
Energy: -1.3245585596633012
Energy: -2.7103099601642344
Energy: -2.1623256965726747
Energy: -2.516550733020583
Energy: -1.8049590893446212
Energy: -2.5165507326680134
Energy: -2.7330015585531
Energy: -2.7020075932067114
Energy: -1.7938535185365314
Energy: -2.7020239343535497
Energy: -2.6026750747208838
Energy: -2.6004680096887545
Energy: -1.298410649005161
Energy: -2.6004680067659267
Energy: -1.7308860484502477
Energy: -2.59297216783748
Energy: -1.1002555680512978
Energy: -2.5929721678114994
Energy: -1.5331361490644855
Energy: -2.6265858350076163
Energy: -1.5702840351748601
Energy: -2.6265448162147598
Energy: -2.4664565563460554
Energy: -2.670200184057826
Energy: -1.6156275524305432
Energy: -2.6703196446751285
Energy: -1.8641798283597741
Energy: -2.6798216717396133
Energy: -1.6441464030309612
Energy: -2.6798506707619185
Energy: -2.289691977652143
Energy: -1.067067469473574
Energy: -1.7777113300518916
Energy: -1.0667903932465759
Energy: -2.0182700641778033
Energy: 0.5006625582776373
Energy: -1.8763953342105175
Energy: 0.5006625582769878
Energy: -1.9528607070869652
Energy: -1.863000698953406
Energy: -1.8630385829427076
Energy: -1.962703939711223
Energy: -1.2323350167288327
Energy: -0.9522567541236039
Energy: -1.801764458432668
Energy: -0.9475845674592742
Energy: -1.8489339199783983
Energy: -2.119271794799542
Energy: -1.9839045146235799
Energy: -2.2468390247934544
Energy: -1.5822669209427391
Energy: 0.33621143527998903
Energy: -2.020807303731242
Energy: 0.33621143526180247
Energy: -1.8551213861689362
Energy: -2.693498735160122
Energy: -2.122982117977943
Energy: -2.7131227116492105
Energy: -1.9491194717802072
Energy: -1.02031215339564
Energy: -1.327774777915493
Energy: -1.0163596701862938
Energy: -1.784647724897441
Energy: -2.4624497265635212
Energy: -2.0038479671624465
Energy: -2.4624494419740635
Energy: -1.6699814430190871
Energy: -2.7110343463342796
Energy: -1.4998830344948897
Energy: -2.711084352600233
Energy: -1.5405536579241252
Energy: -2.754411592876892
Energy: -2.366417518683248
Energy: -2.7623338712545085
Energy: -1.3723992409553094
Energy: -2.227845884498391
Energy: -1.5437062552882856
Energy: -2.2278460015595813
Energy: -1.6920518100984394
Energy: -2.832339316955924
Energy: -2.391294784735099
Energy: -2.8325572202794453
Energy: -1.4014583239107772
Energy: -2.5694611362826643
Energy: -2.592124458272097
Energy: -2.5524688109653275

minimum gb energy = -2.8325572202794453 eV
minimum distance =  2.2600603044771 Angstroms
sigma value = 85


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

Energy: -0.2673647533980892
Energy: -1.1026035203390698
Energy: -1.0707748352811313
Energy: -1.1025738035102177
Energy: -0.5760935360028618
Energy: -1.3636000934935781
Energy: -1.183447883666953
Energy: -1.3662599776071156
Energy: -0.36649697016839183
Energy: -1.2210631205354494
Energy: -1.3540385319798338
Energy: -1.221063051036487
Energy: -0.5706656954160074
Energy: -1.6112117342558834
Energy: -0.5457779775552817
Energy: -1.6337505977210534
Energy: -0.46557215713824324
Energy: -1.2568541176749253
Energy: -1.347782269897367
Energy: -1.2568114450319903
Energy: -0.607133770538031
Energy: -1.4136953025412222
Energy: -1.0228092302314418
Energy: -1.428767571772873
Energy: -0.5589410933200732
Energy: -0.9257870598739645
Energy: -1.0033003206440347
Energy: -0.9257952201384185
Energy: -0.7021081675402259
Energy: -1.3034112386993197
Energy: -1.079058109532823
Energy: -1.3302425397225124
Energy: -0.7067068037014094
Energy: -0.9750642857194013
Energy: -0.8626842983382198
Energy: -0.9650748170928463
Energy: -0.8145457729513546
Energy: -1.265875654684517
Energy: -0.45306180528234163
Energy: -1.2658756562374827
Energy: -0.7546105227373098
Energy: -0.9666290419041891
Energy: -0.8362550988778166
Energy: -0.969411058453715
Energy: -0.9248501372210394
Energy: -0.9342067191045675
Energy: -0.5645523484038695
Energy: -0.9227219458974917
Energy: -0.8905802567883396
Energy: -0.6416873477339937
Energy: -0.23973743476554
Energy: -0.6397917829003087
Energy: -0.9759187825951975
Energy: -0.9046042294220076
Energy: -0.6925982373966084
Energy: -0.9245437517083395
Energy: -1.3642955135861272
Energy: -1.0697530918191427
Energy: -0.548476505387465
Energy: -1.0407438750576008
Energy: -0.8787620977674627
Energy: -0.381568186372292
Energy: -0.5583493374594983
Energy: -0.3815682137631932
Energy: -1.453332957419647
Energy: -1.5982908315771778
Energy: -0.5114908594468806
Energy: -1.568945895199395
Energy: -1.3995673854144624
Energy: -0.6173125276406224
Energy: -0.46613235690875315
Energy: -0.6173125284902994
Energy: -0.5038876045722099
Energy: -1.5148841530859076
Energy: 0.08058111315429102
Energy: -1.5148841542205258
Energy: -1.603133987455171
Energy: -1.5627359500944065
Energy: -0.17619046392743218
Energy: -1.5627358794023165
Energy: -1.1714796475512501
Energy: -1.2954284517757697
Energy: -0.49726050527700355
Energy: -1.295428446495215
Energy: -1.6275331291903765
Energy: -1.5960240265847003
Energy: -0.3035845995858813
Energy: -1.5959753068328637
Energy: -1.207798854236878
Energy: -1.1793139809391615
Energy: -0.21443650988662913
Energy: -1.1793139772284977
Energy: -1.4869662041685476
Energy: -1.3591909991396285
Energy: -0.632860778622055
Energy: -1.3591909991970623
Energy: -1.163405517939688
Energy: -1.614906877405187
Energy: -0.5756556710466214
Energy: -1.6149287549760238
Energy: -0.9078030475965059
Energy: -0.7999007713518453
Energy: -0.7648616824875588
Energy: -0.799900742692894
Energy: -1.124124648931597
Energy: -0.9318749252504157
Energy: -0.48831181715675437
Energy: -0.9136274761484181
Energy: -0.9718124477915101
Energy: -0.42630127953847535
Energy: -0.6499716190160244
Energy: -0.4265751281992588
Energy: -0.7757647377030964
Energy: -1.2404896819913271
Energy: -0.7342708224482309
Energy: -1.2405207483769198
Energy: -0.9470058896981388
Energy: 0.33783353055886156
Energy: -0.5930044759816515
Energy: 0.33783353056562143
Energy: -0.756544390140763
Energy: -0.8238679849380972
Energy: -0.5744790555753805
Energy: -0.8238679754998018
Energy: -0.9391242923002054
Energy: 0.26275743697914283
Energy: -0.8002871278423358
Energy: 0.2627574370123536
Energy: -0.6685891742790899
Energy: 0.4429604643383118
Energy: -0.9494188175420626
Energy: 0.4429604643383118
Energy: -0.693882167642517
Energy: -1.2184435502628563
Energy: -1.093952499820669
Energy: -1.2184435163137994
Energy: -0.6527849811901801
Energy: -0.8754372118961435
Energy: -0.5514451039754439
Energy: -0.8904061845024982
Energy: -0.6446495592123062
Energy: -0.8387154797371611
Energy: -1.2094788275697244
Energy: -0.8264549834912882
Energy: -0.5718117450076752
Energy: -0.342423724920201
Energy: -0.8972127689950988
Energy: -0.3424203120965711
Energy: -0.5185979755914562
Energy: -1.6479301460074347
Energy: -1.2865064879935129
Energy: -1.6479128177068647
Energy: -0.48325346033461214
Energy: 0.24968745239356144
Energy: -1.3952490704453724
Energy: 0.24968745239018145
Energy: -0.1257479077399281
Energy: -1.5731291119384787
Energy: -1.1652624918759198
Energy: -1.5731291359768134
Energy: -0.33207522589549615
Energy: -1.5169550446190359
Energy: -1.5556593786685202
Energy: -1.5169550400006726
Energy: -0.41496603932175946
Energy: -1.241173542439832
Energy: -1.2645896170367035
Energy: -1.241173542458985
Energy: -0.9786384624295653
Energy: -1.5339148084469676
Energy: -1.6199180727284619
Energy: -1.5339164241354726

minimum gb energy = -1.6479301460074347 eV
minimum distance =  2.24745615971463 Angstroms
sigma value = 113


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

Energy: 0.017051582764544295
Energy: 0.017694899978269448
Energy: 1.2469082737231374
Energy: 0.017694899977451453
Energy: -2.7430913230438105
Energy: -2.6696098911615
Energy: -3.2679147653952176
Energy: -2.7462333827632364
Energy: -2.3270570490795555
Energy: -3.961573782377473
Energy: -2.1415214324970107
Energy: -4.063674373166236
Energy: 0.018190585222353967
Energy: -1.4709242065202388
Energy: -3.092980058661707
Energy: -1.4709186799688638
Energy: -3.135118973798267
Energy: -4.120405405963727
Energy: -3.271125442667373
Energy: -2.478488054717697
Energy: -1.8428643409355474
Energy: -2.1633751086879562
Energy: -3.2038264851787224
Energy: -2.1371101833799186

minimum gb energy = -4.120405405963727 eV
minimum distance =  2.41349482697553 Angstroms
sigma value = 1