Model name: model_name=EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
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=3.5162327885627747
cohesive_energy=4.87669557134166
mass=58.6934
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=[2.7101618852427e-19, 3.5182196706005997e-19, 4.16176595917938e-19, 4.69242288212652e-19, 5.14119255730992e-19, 5.5300728699143995e-19, 5.87064755700378e-19, 6.1697579128052395e-19, 6.4316176618662e-19, 6.660264289304339e-19, 6.86016786792852e-19, 7.03568631818322e-19, 7.189703558009639e-19, 7.323549394013999e-19, 7.43797684921428e-19, 7.5331942065729e-19, 7.609666097313719e-19, 7.669138893967799e-19, 7.714576623308039e-19, 7.74952009569558e-19, 7.77637257608142e-19, 7.796111392212299e-19, 7.808480195826779e-19, 7.81270994214054e-19, 7.80790341223854e-19, 7.791977776496579e-19, 7.762722031159739e-19, 7.71813345543552e-19, 7.65644965502652e-19, 7.575683930906579e-19, 7.473545170489079e-19, 7.347229564664519e-19, 7.193052107174701e-19, 7.0058057239591195e-19, 6.777607705978499e-19, 6.49533622660038e-19, 6.13571165933274e-19, 5.659064110717739e-19, 4.998246358024439e-19, 4.03738898708196e-19, 2.5720061940928797e-19, 2.30823985483746e-20, -3.6748965236394596e-19, -1.044973246404114e-18, -2.2629142778616e-18, -4.5024367768668e-18, -8.60694094314702e-18, -1.6482392122274998e-17, -3.2578659675756e-17, -6.822869195889e-17, -1.55790849360258e-16, -4.02620579417664e-16]
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: 0.019878704247829993
Energy: 0.1531016343719583
Energy: 1.0522314251454863
Energy: 0.021143071805690094
Energy: 0.15310163437133217
Energy: 1.3636878518364561
Energy: 0.021143071805690094
Energy: 1.36368785183583
Energy: 1.0522314251467753
Energy: 0.021143071805690094
Energy: 0.019878704247829993
Energy: 0.15310163437262125
Energy: 0.02114307180635304
Energy: 1.3636878518351672
Energy: 0.1531016343719583
Energy: 1.36368785183583

minimum gb energy = 0.019878704247829993 eV
minimum distance =  2.46198650996607 Angstroms
sigma value = 1


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

Energy: 1.9532553767754
Energy: 1.2530202353653639
Energy: 1.2559828160892343
Energy: 1.1844991305697028
Energy: 1.2382256466226989
Energy: 1.3050884118242563
Energy: 1.2389497335706476
Energy: 1.3050884118218442
Energy: 1.256129993881091
Energy: 1.2531602744066448
Energy: 1.237058339789633
Energy: 1.2531602744042327
Energy: 1.2394901121716437
Energy: 1.2376845083407804
Energy: 1.2389662996782826
Energy: 1.2376845083431924
Energy: 1.3262152349324228
Energy: 1.2384054712513823
Energy: 1.2408446939525992
Energy: 1.2384054712537944
Energy: 1.239335896079482
Energy: 1.2683079076056822
Energy: 1.2381411990160605
Energy: 1.2683079076072903
Energy: 1.3292744071942584
Energy: 1.390610769372135
Energy: 1.3251858739677114
Energy: 1.390610769374547
Energy: 1.328133986952176
Energy: 1.3948934854712247
Energy: 1.2692369928228846
Energy: 1.3948934854696167
Energy: 1.3468122339903463
Energy: 1.4787404416026224
Energy: 1.3495973559799594
Energy: 1.4787404416026224
Energy: 1.351148027422488
Energy: 1.4348258718007278
Energy: 1.3491955714614765
Energy: 1.434825871803944
Energy: 1.3466432251567249
Energy: 1.4776792599261008
Energy: 1.3478906076708383
Energy: 1.4776792599269046
Energy: 1.3272640616770106
Energy: 1.4798186120551784
Energy: 1.2732509177413487
Energy: 1.4798186120543741
Energy: 1.3302681112933321
Energy: 1.3909992180915713
Energy: 1.2932952794957722
Energy: 1.3909992180939834
Energy: 1.239617401835807
Energy: 1.390803170243346
Energy: 1.323655654717366
Energy: 1.390803170244954
Energy: 1.2938094586589504
Energy: 1.2374818872286186
Energy: 1.2363226479275504
Energy: 1.237481887230227
Energy: 1.180253696873513
Energy: 1.237433299941335
Energy: 1.2364176458898297
Energy: 1.237433299940531
Energy: 1.2534676377094496
Energy: 1.2525909687481265
Energy: 1.179108836821469
Energy: 1.2525909687473222
Energy: 1.2380973279616876
Energy: 1.2396806610218434
Energy: 1.2936391452715983
Energy: 1.2396806610234514
Energy: 1.2378280622998974
Energy: 1.253810987817161
Energy: 1.259938255324603
Energy: 1.2538109878195731
Energy: 1.2573877361007186
Energy: 1.239423380604949
Energy: 1.2538915692074717
Energy: 1.239423380604949
Energy: 1.2377423943923305
Energy: 1.2381040426454697
Energy: 1.3257884660911032
Energy: 1.2381040426478818
Energy: 1.2386692283995975
Energy: 1.2375602825556324
Energy: 1.2398670217076626
Energy: 1.2375602825540242
Energy: 1.3249795097992356
Energy: 1.3924817396651268
Energy: 1.3269617772256512
Energy: 1.3924817396667348
Energy: 1.268541049515582
Energy: 1.3927620783776595
Energy: 1.3277926715675106
Energy: 1.3927620783752475
Energy: 1.350422488290851
Energy: 1.4821160604987715
Energy: 1.3469164989226963
Energy: 1.4821160604979677
Energy: 1.3517148200388107
Energy: 1.4764958229305132
Energy: 1.3539002197534173
Energy: 1.4764958229297092
Energy: 1.347557832348291
Energy: 1.4786088693405908
Energy: 1.345787753663545
Energy: 1.4786088693430028
Energy: 1.2708272280498754
Energy: 1.4783365064106508
Energy: 1.349725226624429
Energy: 1.4783365064138672
Energy: 1.2935192719893163
Energy: 1.3911188330937891
Energy: 1.3781371010667445
Energy: 1.391118833097005
Energy: 1.3233276332990296
Energy: 1.3912986641999547
Energy: 1.239922295239892
Energy: 1.3912986641951302
Energy: 1.236075734261869
Energy: 1.2370647097010845
Energy: 1.2934815969300129
Energy: 1.2370647096986724
Energy: 1.237171157388078
Energy: 1.2373652398172201
Energy: 1.179869277605421
Energy: 1.237365239815612
Energy: 1.1789731500539842
Energy: 1.2525105310882445
Energy: 1.252894629032708
Energy: 1.2525105310866367

minimum gb energy = 1.1789731500539842 eV
minimum distance =  2.22787263420984 Angstroms
sigma value = 1


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

Energy: 2.1967851375489356
Energy: 1.3251045888569244
Energy: 1.326499270707224
Energy: 1.247426752858766
Energy: 1.3373978617464857
Energy: 1.3774879689860224
Energy: 1.3118612864435475
Energy: 1.3774879689887725
Energy: 1.3243218115710749
Energy: 1.3252999715993672
Energy: 1.3113422555687055
Energy: 1.3252999715929503
Energy: 1.3251635475923198
Energy: 1.3109922702068137
Energy: 1.3121131503570518
Energy: 1.3109922702113974
Energy: 1.3103682659654061
Energy: 1.3115700257260128
Energy: 1.3116279469992702
Energy: 1.31157002573793
Energy: 1.3141224926654225
Energy: 1.312865066038254
Energy: 1.31282132247835
Energy: 1.312865066038254
Energy: 1.4190628499068343
Energy: 1.489182522324053
Energy: 1.413445521882917
Energy: 1.4891825223213029
Energy: 1.4166767537618319
Energy: 1.49205143510329
Energy: 1.344927714287142
Energy: 1.4920514351060403
Energy: 1.4148374305541167
Energy: 1.5733821356373932
Energy: 1.4321910675712701
Energy: 1.5733821356328097
Energy: 1.3474745782585877
Energy: 1.5742124193872458
Energy: 1.4172725148638055
Energy: 1.5742124193973297
Energy: 1.3784252460917057
Energy: 1.4887533284682006
Energy: 1.4180677239589359
Energy: 1.4887533284718675
Energy: 1.4106963263752084
Energy: 1.4893838623255558
Energy: 1.3147093313915899
Energy: 1.489383862323722
Energy: 1.3107575892228613
Energy: 1.3110814527540804
Energy: 1.3796000497096461
Energy: 1.3110814527595807
Energy: 1.3109005143703816
Energy: 1.3111653395033303
Energy: 1.2404962798674941
Energy: 1.3111653395079141
Energy: 1.2403442543279908
Energy: 1.3234271884871691
Energy: 1.3243728499858434
Energy: 1.3234271884880857
Energy: 1.4003348531265667
Energy: 1.3146240815136296
Energy: 1.312072406006035
Energy: 1.314624081520005
Energy: 1.3261794824795305
Energy: 1.3263606171517686
Energy: 1.3109317759822001
Energy: 1.3263606171499351
Energy: 1.3256986607640957
Energy: 1.3142093113171163
Energy: 1.3289392608981558
Energy: 1.3142093113180329
Energy: 1.3100301317193095
Energy: 1.3120606908882821
Energy: 1.3120685894164057
Energy: 1.3120606909011163
Energy: 1.3132227237866843
Energy: 1.3118854403235245
Energy: 1.3124625370966958
Energy: 1.3118854403207743
Energy: 1.4156087864004203
Energy: 1.490618658781606
Energy: 1.4137385681568686
Energy: 1.490618658777939
Energy: 1.4149232819831423
Energy: 1.4905475788567641
Energy: 1.3449788548298651
Energy: 1.4905475788521803
Energy: 1.4148676029831186
Energy: 1.5759159546975603
Energy: 1.4316351666233196
Energy: 1.5759159546911434
Energy: 1.3451585649102524
Energy: 1.5734844223076707
Energy: 1.4377040471730658
Energy: 1.5734844222966702
Energy: 1.3798196196064976
Energy: 1.489142168475632
Energy: 1.4147562228047146
Energy: 1.4891421684802155
Energy: 1.4102950073732614
Energy: 1.488829781784827
Energy: 1.314749591689583
Energy: 1.4888297817802434
Energy: 1.3108322424614849
Energy: 1.3117473314861088
Energy: 1.3785124377494642
Energy: 1.3117473314705244
Energy: 1.3108584051405223
Energy: 1.3110527696512813
Energy: 1.240306027772433
Energy: 1.311052769648573
Energy: 1.240399915057777
Energy: 1.322842807264714
Energy: 1.3236349589837366
Energy: 1.3228428072628806

minimum gb energy = 1.240306027772433 eV
minimum distance =  2.23081470972715 Angstroms
sigma value = 25


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

Energy: 2.2259066344670124
Energy: 1.4201561896970976
Energy: 1.4218296758755058
Energy: 1.3700226244495097
Energy: 1.4209974516543138
Energy: 1.4745571494497316
Energy: 1.421727230542669
Energy: 1.4745571494603884
Energy: 1.4235398169245363
Energy: 1.4216557167327477
Energy: 1.3621254843715036
Energy: 1.4216557167370105
Energy: 1.4219786936794474
Energy: 1.475471944350373
Energy: 1.4152713148037643
Energy: 1.4754719443493072
Energy: 1.3602463260218414
Energy: 1.4148911839235137
Energy: 1.4165840446581794
Energy: 1.414891183932039
Energy: 1.4160844744589343
Energy: 1.4154577973388056
Energy: 1.414346411319096
Energy: 1.4154577973388056
Energy: 1.4958769933258953
Energy: 1.6260200818950075
Energy: 1.515619338445653
Energy: 1.6260200818939419
Energy: 1.4953192845740677
Energy: 1.626922265956928
Energy: 1.4399045254990046
Energy: 1.6269222659537308
Energy: 1.4959810548943535
Energy: 1.6341557074265483
Energy: 1.4477146511898653
Energy: 1.634155707424417
Energy: 1.3242239161764309
Energy: 1.6343787940537764
Energy: 1.4910678593466056
Energy: 1.6343787940559078
Energy: 1.3629666611117845
Energy: 1.4885596105536993
Energy: 1.487773883151011
Energy: 1.4885596105505507
Energy: 1.3615772128492876
Energy: 1.492077772641521
Energy: 1.487491675786084
Energy: 1.4920777726372585
Energy: 1.3246512497245315
Energy: 1.3247082946917363
Energy: 1.3099829935187912
Energy: 1.3247082946959987
Energy: 1.3245546114534186
Energy: 1.30902571750676
Energy: 1.5014016069730491
Energy: 1.3090257175056945
Energy: 1.362420370692723
Energy: 1.4928843892952022
Energy: 1.494410754303641
Energy: 1.492884389292005
Energy: 1.4620850600399837
Energy: 1.4860818419274262
Energy: 1.4929526768427948
Energy: 1.4860818419295574
Energy: 1.3973409871476434
Energy: 1.4414841450656237
Energy: 1.3605181285545114
Energy: 1.441484145067755
Energy: 1.396834378995699
Energy: 1.4399759752146024
Energy: 1.5262605894330554
Energy: 1.4399759752124712
Energy: 1.5161079281480656
Energy: 1.6087563598362684
Energy: 1.5279665042152324
Energy: 1.6087563598383998
Energy: 1.4058711415832807
Energy: 1.608916339061706
Energy: 1.5250391854420673
Energy: 1.6089163390649033
Energy: 1.4483484946132716
Energy: 1.627058231526334
Energy: 1.5253527665661408
Energy: 1.6270582315305968
Energy: 1.4478633444435758
Energy: 1.6259581431975922
Energy: 1.4178342153585044
Energy: 1.6259581431997236
Energy: 1.4145101535719466
Energy: 1.4144671930475676
Energy: 1.3636149611836257
Energy: 1.4144671930507646
Energy: 1.413805598426425
Energy: 1.4142173085294392
Energy: 1.3635509396737961
Energy: 1.4142173085294392
Energy: 1.3659922699191898
Energy: 1.418014248202329
Energy: 1.4191789349112687
Energy: 1.4180142482033946

minimum gb energy = 1.3090257175056945 eV
minimum distance =  2.21620713961941 Angstroms
sigma value = 9


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

Energy: 1.988459778174499
Energy: 1.5013755693061899
Energy: 1.5023423845330626
Energy: 1.4016443082656755
Energy: 1.5055932674042327
Energy: 1.5520514541880508
Energy: 1.5088140455056114
Energy: 1.5520514541893222
Energy: 1.501453343802292
Energy: 1.4996836790898573
Energy: 1.500366902983679
Energy: 1.4996836790923997
Energy: 1.5002640476139886
Energy: 1.5528525391664068
Energy: 1.5084393733092052
Energy: 1.5528525391651353
Energy: 1.5052207930141683
Energy: 1.5102513065213785
Energy: 1.5075651273266626
Energy: 1.510251306509937
Energy: 1.5078423240886445
Energy: 1.5082308957385333
Energy: 1.507941404675666
Energy: 1.5082308957385333
Energy: 1.618267557491269
Energy: 1.735378793523372
Energy: 1.5082802971755511
Energy: 1.735378793518287
Energy: 1.532789025318869
Energy: 1.737332986906572
Energy: 1.5079436308713294
Energy: 1.7373329868976732
Energy: 1.5061138014695494
Energy: 1.509945558430199
Energy: 1.3857962329699838
Energy: 1.509945558428928
Energy: 1.5085217568955636
Energy: 1.5099815054383945
Energy: 1.385528697119515
Energy: 1.5099815054345809
Energy: 1.3877154870211679
Energy: 1.4965234050268856
Energy: 1.4968187444503125
Energy: 1.4965234050306995
Energy: 1.600967000365649
Energy: 1.5072482565991348
Energy: 1.5038669250365049
Energy: 1.5072482565940497
Energy: 1.50679053000424
Energy: 1.5070105441128836
Energy: 1.5053101944082672
Energy: 1.5070105441141548
Energy: 1.4986034690771197
Energy: 1.5082084430461633
Energy: 1.5036251214823613
Energy: 1.508208443041078
Energy: 1.5053157118012286
Energy: 1.50910523531754
Energy: 1.5132441492246083
Energy: 1.50910523531754
Energy: 1.5071261801762774
Energy: 1.5104233791414068
Energy: 1.5105684217257138
Energy: 1.5104233791350505
Energy: 1.6173442304798396
Energy: 1.7377901145722074
Energy: 1.5087835594019268
Energy: 1.737790114569665
Energy: 1.6182909366546991
Energy: 1.7363798056353554
Energy: 1.5079879901036626
Energy: 1.736379805634084
Energy: 1.5084937132004197
Energy: 1.5114942273984902
Energy: 1.3856486940465058
Energy: 1.5114942273997616
Energy: 1.5083295774879424
Energy: 1.5102556024756242
Energy: 1.3857303612931486
Energy: 1.5102556024781666
Energy: 1.3866991661582393
Energy: 1.4960099944131564
Energy: 1.495143346816314
Energy: 1.4960099944144276

minimum gb energy = 1.385528697119515 eV
minimum distance =  2.23400432671748 Angstroms
sigma value = 25


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

Energy: 1.8169415084443803
Energy: 1.620497177969689
Energy: 1.621609069909385
Energy: 1.4978780566698429
Energy: 1.625897079081269
Energy: 1.6050932156203623
Energy: 1.6251966078048108
Energy: 1.6050932156203623
Energy: 1.611370353076011
Energy: 1.6120871002606807
Energy: 1.6203385355471236
Energy: 1.6120871002606807
Energy: 1.610935559343174
Energy: 1.60494202110871
Energy: 1.5251737876813685
Energy: 1.6049420211102818
Energy: 1.5225055456477943
Energy: 1.7592194468799227
Energy: 1.5250211517852046
Energy: 1.7592194468799227
Energy: 1.4855741174146475
Energy: 1.7628007515976496
Energy: 1.5242334775796034
Energy: 1.7628007515976496
Energy: 1.4784490272359245
Energy: 1.524572120530257
Energy: 1.525954363988529
Energy: 1.524572120530257
Energy: 1.478638996184628
Energy: 1.6049224303554677
Energy: 1.5260337216860955
Energy: 1.6049224303586118
Energy: 1.6108672419113863
Energy: 1.6105857464943598
Energy: 1.738987919502736
Energy: 1.6105857464927877
Energy: 1.625431958283125
Energy: 1.610049481252125
Energy: 1.7418249876671676
Energy: 1.6100494812505528
Energy: 1.616438554999867
Energy: 1.6103593235879705
Energy: 1.6261558143223822
Energy: 1.6103593235895428
Energy: 1.6171748516792284
Energy: 1.610492829454471
Energy: 1.6122616397412195
Energy: 1.6104928294513268
Energy: 1.5250571797673314
Energy: 1.7590462513160952
Energy: 1.5222724343936824
Energy: 1.7590462513160952
Energy: 1.5249365119066185
Energy: 1.524543423582708
Energy: 1.610204400351221
Energy: 1.5245434235842803
Energy: 1.5265766815933166
Energy: 1.657063251960049
Energy: 1.4783999312688607
Energy: 1.6570632519616213
Energy: 1.5252061483477184
Energy: 1.6050850710111417
Energy: 1.4784673672470663
Energy: 1.6050850710079971
Energy: 1.7402885583579562
Energy: 1.6099482376239467
Energy: 1.6080802890862227
Energy: 1.609948237625519

minimum gb energy = 1.4783999312688607 eV
minimum distance =  2.23809611557864 Angstroms
sigma value = 17


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

Energy: 2.3243521221307617
Energy: 1.7641422181009299
Energy: 1.7648898255712715
Energy: 1.6815783874697598
Energy: 1.6036884005623617
Energy: 1.6055685704210942
Energy: 1.7655050228096387
Energy: 1.6055685704273268
Energy: 1.6049975906034177
Energy: 1.605316665549615
Energy: 1.7591008963388508
Energy: 1.6053166655513955
Energy: 1.6049079764664473
Energy: 1.6056808573306431
Energy: 1.602078377472412
Energy: 1.6056808573244103
Energy: 1.6042697991905486
Energy: 1.7989187331304684
Energy: 1.7074404055615466
Energy: 1.798918733131359
Energy: 1.606882978072686
Energy: 1.8015985495589926
Energy: 1.6042140008985812
Energy: 1.8015985495581024
Energy: 1.6616020211448415
Energy: 1.60294609463191
Energy: 1.6076871956040166
Energy: 1.6029460946301293
Energy: 1.8452688408254814
Energy: 1.6029017951376041
Energy: 1.6052410574016704
Energy: 1.6029017951384945
Energy: 1.7694782663852662
Energy: 1.7511839197664676
Energy: 1.7592477403713447
Energy: 1.7511839197655772
Energy: 1.7490270936225083
Energy: 1.7490955967521724
Energy: 1.7658268216010593
Energy: 1.7490955967548436
Energy: 1.6052429648800524
Energy: 1.6299782149395616
Energy: 1.5742007597536984
Energy: 1.6299782149422328
Energy: 1.7525527440898108
Energy: 1.6323373251977433
Energy: 1.6278843920701824
Energy: 1.632337325196853
Energy: 1.6603663123982098
Energy: 1.634023990063909
Energy: 1.62929982517601
Energy: 1.6340239900630185
Energy: 1.6600430852780927
Energy: 1.6317074027431147
Energy: 1.5750918927470907
Energy: 1.6317074027422245
Energy: 1.7489207256396162
Energy: 1.74804202712618
Energy: 1.8429152575916279
Energy: 1.74804202712618
Energy: 1.773303295575764
Energy: 1.748679893417799
Energy: 1.8440086386517027
Energy: 1.7486798934186891
Energy: 1.7535758620815292
Energy: 1.6035260956528206
Energy: 1.6047004000577563
Energy: 1.6035260956510395
Energy: 1.7558779639145783
Energy: 1.6034290238232993
Energy: 1.6016133550751215
Energy: 1.6034290238206281
Energy: 1.6038103975392215
Energy: 1.7980743953665648
Energy: 1.6055610063881984
Energy: 1.7980743953683458
Energy: 1.7274466333274985
Energy: 1.8029878951753513
Energy: 1.6045857015665947
Energy: 1.8029878951762417
Energy: 1.6048550216481696
Energy: 1.604028330918792
Energy: 1.8448519139208837
Energy: 1.6040283309161205
Energy: 1.6047591489522406
Energy: 1.607537473339297
Energy: 1.6627156381358401
Energy: 1.6075374733375163
Energy: 1.7656471098403363
Energy: 1.7490055659946342
Energy: 1.7664932380999134
Energy: 1.749005565996415
Energy: 1.7588547959068848
Energy: 1.7512767461257166
Energy: 1.753362616654138
Energy: 1.7512767461257166
Energy: 1.629947528528481
Energy: 1.6323888455637787
Energy: 1.749572814660083
Energy: 1.6323888455655593
Energy: 1.6278180245779938
Energy: 1.6325188984575179
Energy: 1.602967567358893
Energy: 1.632518898455737
Energy: 1.5739631902604834
Energy: 1.5787480418974396
Energy: 1.6653866159874653
Energy: 1.5787480419001108
Energy: 1.6284080125191989
Energy: 1.633851668853582
Energy: 1.6608789812547853
Energy: 1.633851668853582
Energy: 1.6309606763903401
Energy: 1.6061448079196756
Energy: 1.6600974036470633
Energy: 1.6061448079214566
Energy: 1.8504700309820594
Energy: 1.7515327464427364
Energy: 1.7496641911247068
Energy: 1.7515327464471884

minimum gb energy = 1.5739631902604834 eV
minimum distance =  2.22677942487652 Angstroms
sigma value = 53


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

Energy: 2.144307003500792
Energy: 1.6911182668289897
Energy: 1.7192399570841328
Energy: 1.5499287171168594
Energy: 1.689071892075833
Energy: 1.6910507447253054
Energy: 1.690421598267698
Energy: 1.6910507447273553
Energy: 1.689034543774184
Energy: 1.691716787348236
Energy: 1.7125103703963365
Energy: 1.6917167873502859
Energy: 1.6908983810385292
Energy: 1.6353103894724146
Energy: 1.6874735267030496
Energy: 1.635310389470365
Energy: 1.7165516111084786
Energy: 1.633371513571659
Energy: 1.523996434785872
Energy: 1.6333715135737088
Energy: 1.6876673432742901
Energy: 1.6350294631047517
Energy: 1.5246563297854148
Energy: 1.6350294631047517
Energy: 1.840503911498619
Energy: 1.6898051449867928
Energy: 1.6901076802277175
Energy: 1.6898051449888427
Energy: 1.8380407638154888
Energy: 1.6888484858940598
Energy: 1.6863197143789568
Energy: 1.6888484858940598
Energy: 1.693196813241822
Energy: 1.6905981459679567
Energy: 1.7121488412289134
Energy: 1.6905981459741064
Energy: 1.6878156797312946
Energy: 1.6887506785022335
Energy: 1.6915179463128245
Energy: 1.6887506785022335
Energy: 1.7170535643437075
Energy: 1.636504215796738
Energy: 1.5497318240579812
Energy: 1.636504215798788
Energy: 1.6902684504245082
Energy: 1.6328831435805669
Energy: 1.5250747792810795
Energy: 1.6328831435805669
Energy: 1.8381506393554194
Energy: 1.6891341029252438
Energy: 1.685674614986795
Energy: 1.6891341029252438

minimum gb energy = 1.523996434785872 eV
minimum distance =  2.24452010799471 Angstroms
sigma value = 9


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

Energy: 2.088092834084567
Energy: 1.880966142831644
Energy: 1.8836676456011747
Energy: 1.7633860674686668
Energy: 1.6482934182886386
Energy: 1.6311325224249777
Energy: 1.852470711980082
Energy: 1.6311325224234605
Energy: 1.6331167126742656
Energy: 1.6322794598311752
Energy: 1.830598967529973
Energy: 1.6322794598326924
Energy: 1.63583071654123
Energy: 1.631325752855902
Energy: 1.8547968558456152
Energy: 1.631325752855902
Energy: 1.6334303310041327
Energy: 1.6292553263033331
Energy: 1.9171391336578816
Energy: 1.6292553263033331
Energy: 1.630694286954736
Energy: 1.6302890380216395
Energy: 1.9168086795706316
Energy: 1.630289038023157
Energy: 1.8627256172206448
Energy: 1.8298163745472227
Energy: 1.8570804355327115
Energy: 1.8298163745479814
Energy: 1.8573254385044937
Energy: 1.8280069993361847
Energy: 1.83053014668643
Energy: 1.8280069993384607
Energy: 1.686610839747953
Energy: 1.8217160948529116
Energy: 1.7330935141274917
Energy: 1.8217160948536701
Energy: 1.629561440671842
Energy: 1.759120267237186
Energy: 1.833223967779795
Energy: 1.7591202672379447
Energy: 1.6822109341339069
Energy: 1.6825575711545213
Energy: 1.7367724863987337
Energy: 1.6825575711545213
Energy: 1.6837976736567937
Energy: 1.684287251132741
Energy: 1.9212709472643912
Energy: 1.6842872511228784
Energy: 1.8536492276788086
Energy: 1.6832373757626646
Energy: 1.7059266764892096
Energy: 1.6832373757626646
Energy: 1.8583843031012612
Energy: 1.6833958718476858
Energy: 1.6861199683781678
Energy: 1.6833958718507205
Energy: 1.8285340196213122
Energy: 1.7092168875202995
Energy: 1.7012001827627232
Energy: 1.709216887519541
Energy: 1.834700272828045
Energy: 1.8115092835204842
Energy: 1.7011775695814768
Energy: 1.8115092835212427
Energy: 1.834534853961098
Energy: 1.766550851174439
Energy: 1.687969891303619
Energy: 1.7665508511736805
Energy: 1.8281941666580033
Energy: 1.8306986217125825
Energy: 1.9282769218251536
Energy: 1.8306986217148586
Energy: 1.8520784800416088
Energy: 1.8288320627888426
Energy: 1.6271352585668175
Energy: 1.8288320627880839
Energy: 1.8835775994338064
Energy: 1.6329289929812605
Energy: 1.6429744530165078
Energy: 1.6329289929865711
Energy: 1.8535849902493904
Energy: 1.6308335043946816
Energy: 1.6318632067903809
Energy: 1.6308335043939226
Energy: 1.9194189119884302
Energy: 1.6287299501655441
Energy: 1.6303784494471145
Energy: 1.6287299501647852
Energy: 1.9177105086348778
Energy: 1.6305393560355883
Energy: 1.6311182420998604
Energy: 1.6305393560363468
Energy: 1.857945218198421
Energy: 1.8293080498254566
Energy: 1.8578811679419733
Energy: 1.8293080498254566
Energy: 1.831559650948124
Energy: 1.8281034467428978
Energy: 1.8577422211737216
Energy: 1.8281034467459327
Energy: 1.7337693739554911
Energy: 1.811168453212291
Energy: 1.6854761111175842
Energy: 1.811168453211532
Energy: 1.8314555630400802
Energy: 1.7381236830831466
Energy: 1.628637302991294
Energy: 1.7381236830876987
Energy: 1.736830158564206
Energy: 1.6829214139279938
Energy: 1.6839762138413503
Energy: 1.6829214139295112
Energy: 1.9238223554417333
Energy: 1.7099031409989043
Energy: 1.6837013960342893
Energy: 1.7099031409973868
Energy: 1.6838865521557238
Energy: 1.6830015483671028
Energy: 1.8528020075625034
Energy: 1.683001548362551
Energy: 1.6891068027265792
Energy: 1.6842982858720639
Energy: 1.8333753279976854
Energy: 1.6842982858713051
Energy: 1.685179583860392
Energy: 1.6916930059838615
Energy: 1.8297252456465927
Energy: 1.6916930059891724
Energy: 1.702875884656326
Energy: 1.8122271711757025
Energy: 1.737167376364742
Energy: 1.8122271711779785
Energy: 1.6867672221639511
Energy: 1.767666071232152
Energy: 1.747140472975728
Energy: 1.7676660712313932
Energy: 1.9272437147617387
Energy: 1.8298184214306477
Energy: 1.8281211031255302
Energy: 1.8298184214291304

minimum gb energy = 1.6271352585668175 eV
minimum distance =  2.2085239264407 Angstroms
sigma value = 73


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

Energy: 2.2117041625338345
Energy: 1.77475013725516
Energy: 1.7768059940320837
Energy: 1.727685395213744
Energy: 1.6732775526541297
Energy: 1.8964960220735245
Energy: 1.8122304341587583
Energy: 1.896496022071117
Energy: 1.652830270525877
Energy: 1.6546879869876325
Energy: 1.8250623321550579
Energy: 1.6546879869900397
Energy: 1.652982217670136
Energy: 1.6529437447659865
Energy: 1.903937904399702
Energy: 1.6529437447659865
Energy: 1.6571093544127216
Energy: 1.6568316940561048
Energy: 1.8936759740638716
Energy: 1.6568316940597156
Energy: 1.7525765419991823
Energy: 1.6567360151474733
Energy: 1.8928854283708194
Energy: 1.6567360151474733
Energy: 1.7675494906903295
Energy: 1.813278647482685
Energy: 1.849795219450806
Energy: 1.8132786474838885
Energy: 1.6930346855254719
Energy: 1.811975053062659
Energy: 1.8127052560792676
Energy: 1.811975053062659
Energy: 1.7295440121523256
Energy: 1.811952973097657
Energy: 1.8127806039258438
Energy: 1.8119529731000645
Energy: 1.7244478374440335
Energy: 1.6352548510599707
Energy: 1.8127618099174012
Energy: 1.635254850067352
Energy: 1.7296654540442968
Energy: 1.6266207858436006
Energy: 1.658835962195631
Energy: 1.626620785846008
Energy: 1.7183603412352715
Energy: 1.6298510298724036
Energy: 1.894282008787398
Energy: 1.6298510298699964
Energy: 1.8251232004605344
Energy: 1.721278383749426
Energy: 1.7058180817849002
Energy: 1.7212783837554448
Energy: 1.8237502027871901
Energy: 1.7136478788053573
Energy: 1.7079246536242096
Energy: 1.7136478788053573
Energy: 1.8574923832891215
Energy: 1.6874888968066664
Energy: 1.689616921090372
Energy: 1.6874888968066664
Energy: 1.8878388745873862
Energy: 1.6897333920773605
Energy: 1.6884323455386534
Energy: 1.6897333920761568
Energy: 1.894211116660934
Energy: 1.938092229277697
Energy: 1.7052579636373735
Energy: 1.938092229282512
Energy: 1.8196712406041071
Energy: 1.8223749081952036
Energy: 1.7662383813087736
Energy: 1.8223749081927965
Energy: 1.7840811852810954
Energy: 1.7841719802715534
Energy: 1.71962344499924
Energy: 1.7841719802679423
Energy: 1.8053222319737647
Energy: 1.7781847081115234
Energy: 1.7742912314297652
Energy: 1.7781847081115234
Energy: 1.782722787977269
Energy: 1.7777057215099397
Energy: 1.7245678227011325
Energy: 1.777705721512347
Energy: 1.9003400775209187
Energy: 1.7745838122785746
Energy: 1.7747984474498506
Energy: 1.774583812277371

minimum gb energy = 1.6266207858436006 eV
minimum distance =  2.19841999100169 Angstroms
sigma value = 7


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

Energy: 2.555106014824914
Energy: 1.7744488470428734
Energy: 1.8753278722322975
Energy: 1.7035016660886597
Energy: 1.6640787581824918
Energy: 1.775807548671924
Energy: 1.9245645738594934
Energy: 1.7758075486736264
Energy: 1.674122104471038
Energy: 1.6594722689474626
Energy: 1.7896265389150272
Energy: 1.6594722689585277
Energy: 1.6626963478607546
Energy: 1.65834261148403
Energy: 1.9381313330398524
Energy: 1.6583426114746673
Energy: 1.6668194059710975
Energy: 1.6603440682880166
Energy: 1.8919606904531177
Energy: 1.6603440682905701
Energy: 1.8062680603354098
Energy: 1.6607875578770823
Energy: 1.8891663929291813
Energy: 1.6607875578702733
Energy: 1.8698982717964838
Energy: 1.6619013568370629
Energy: 1.804980870871364
Energy: 1.6619013568277003
Energy: 1.926668587228913
Energy: 1.6599933364793311
Energy: 1.6609330223144025
Energy: 1.6599933364810333
Energy: 1.8586941861702104
Energy: 1.656838931128116
Energy: 1.657715654042844
Energy: 1.656838931128967
Energy: 1.871557623866012
Energy: 1.8806710363495256
Energy: 1.661782728070523
Energy: 1.8806710363554837
Energy: 1.9240183646025772
Energy: 1.7735407895584647
Energy: 1.8061712695202197
Energy: 1.7735407895593158
Energy: 1.7853392594209894
Energy: 1.7760402374418103
Energy: 1.874094234596758
Energy: 1.7760402374222337
Energy: 1.7764307333410858
Energy: 1.7785411082827907
Energy: 1.77931556537625
Energy: 1.7785411082861955
Energy: 1.7836449005268964
Energy: 1.7572773247272566
Energy: 1.6716845345201088
Energy: 1.7572773247255542
Energy: 1.7772860175600569
Energy: 1.7771036912470457
Energy: 1.6824071020513012
Energy: 1.777103691235981
Energy: 1.8502600430559426
Energy: 1.776623080409882
Energy: 1.7740789874503406
Energy: 1.7766230804115843
Energy: 1.9627012406549562
Energy: 1.7744214313376796
Energy: 1.923891246994234
Energy: 1.7744214313436375
Energy: 1.662116963528141
Energy: 1.8837594853715205
Energy: 1.792323810916466
Energy: 1.8837594853528725
Energy: 1.6567474644079625
Energy: 1.6578815400637736
Energy: 1.8574739835217704
Energy: 1.657881540066327
Energy: 1.6600608674967285
Energy: 1.659879762685833
Energy: 1.912776601689735
Energy: 1.659879762679024
Energy: 1.805003020704435
Energy: 1.6621777815777727
Energy: 1.901016539779052
Energy: 1.6621777815709637
Energy: 1.925450340777659
Energy: 1.6612964286391916
Energy: 1.806350274670043
Energy: 1.6612964286425962
Energy: 1.8597651670758202
Energy: 1.6609695551735304
Energy: 1.6624398837003902
Energy: 1.6609695551658703
Energy: 1.9240366178970754
Energy: 1.6583365962640966
Energy: 1.6620641322214706
Energy: 1.658336596261543
Energy: 1.8716129138566782
Energy: 1.6593195613188296
Energy: 1.6623110933186906
Energy: 1.6593195613120206
Energy: 1.8736067334514124
Energy: 1.7754279260354238
Energy: 1.6634977774279534
Energy: 1.7754279260354238
Energy: 1.7790320547736966
Energy: 1.77555110949437
Energy: 2.2353607096600574
Energy: 1.775551109483305
Energy: 1.7778632289916536
Energy: 1.775251075345032
Energy: 1.7739135798743157
Energy: 1.77525107535099
Energy: 1.7885466293162988
Energy: 1.7610118901319396
Energy: 1.7754583508386228
Energy: 1.7610118901396
Energy: 1.7728728382950583
Energy: 1.7878112445090848
Energy: 1.671296181904773
Energy: 1.7878112445175964
Energy: 1.9129059069848469
Energy: 1.774351500454307
Energy: 1.7802302283022378
Energy: 1.7743515004474975

minimum gb energy = 1.6567474644079625 eV
minimum distance =  2.2047378697972 Angstroms
sigma value = 29


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

Energy: 1.5717439387613266
Energy: 1.8840880484279656
Energy: 1.7838894406188286
Energy: 1.5722672992460487
Energy: 1.6320688413321214
Energy: 1.7341723806458273
Energy: 1.6085561005067595
Energy: 1.7341723806470133
Energy: 1.6324863627899269
Energy: 1.7388333115280066
Energy: 1.5928320842804846
Energy: 1.7388333115265573
Energy: 1.6180926791363537
Energy: 1.6363905463443094
Energy: 1.6299482008567767
Energy: 1.6363905463466482
Energy: 1.6346799368152372
Energy: 1.6176733258835734
Energy: 1.6235709458666139
Energy: 1.6176733258835734
Energy: 1.6292585254251617
Energy: 1.7353594596533777
Energy: 1.6151251660975423
Energy: 1.7353594596530812
Energy: 1.5941634468787702
Energy: 1.7433995761681924
Energy: 1.6310297332409274
Energy: 1.7433995761693455
Energy: 1.6081454215428046
Energy: 1.6080929975141613
Energy: 1.615612687548296
Energy: 1.608092997514425
Energy: 1.6136106405652069
Energy: 1.607482553691846
Energy: 1.6040726071322482
Energy: 1.6074825536924064

minimum gb energy = 1.5717439387613266 eV
minimum distance =  2.23853474057983 Angstroms
sigma value = 5


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

Energy: 2.0656605513662973
Energy: 1.5187535129986938
Energy: 1.7765555393101995
Energy: 1.4925395241816524
Energy: 1.750612070293211
Energy: 1.5310390123858395
Energy: 1.7841523990283603
Energy: 1.5310390123842315
Energy: 1.7708301545639884
Energy: 1.6333177492767268
Energy: 1.7827070287069855
Energy: 1.633317749278335
Energy: 1.5437432976082537
Energy: 1.5180688027073812
Energy: 1.7519903996546973
Energy: 1.5180688027114015
Energy: 1.7519474420990955
Energy: 1.5208962699113833
Energy: 1.7794758017412013
Energy: 1.5208962699226394
Energy: 1.523058121086615
Energy: 1.523037471971188
Energy: 1.7803245951739068
Energy: 1.5230374719719921
Energy: 1.5194807745652292
Energy: 1.517714630805586
Energy: 1.7553330070164577
Energy: 1.5177146308023697
Energy: 1.5463972859533361
Energy: 1.530877113695627
Energy: 1.955804720481357
Energy: 1.5308771136964312
Energy: 1.5652922336235708
Energy: 1.58203136822735
Energy: 1.971147075651408
Energy: 1.582031368225742
Energy: 1.8012543167023176
Energy: 1.5022177067310736
Energy: 1.5026993695377444
Energy: 1.5022177067286615
Energy: 1.544167011273617
Energy: 1.4988906806255935
Energy: 1.5018822833467818
Energy: 1.4988906806247893
Energy: 2.0085711148698633
Energy: 1.4960431134071233
Energy: 1.4999262221273033
Energy: 1.4960431134079275
Energy: 2.027235613930453
Energy: 1.49912180546949
Energy: 1.5258833230633988
Energy: 1.4991218054727056
Energy: 1.5428273018131315
Energy: 1.579477007582925
Energy: 1.7796730774672134
Energy: 1.5794770075837292
Energy: 1.5219298068487375
Energy: 1.5200127262385363
Energy: 1.7808643167001723
Energy: 1.5200127262377323
Energy: 1.5488715625491467
Energy: 1.5269590200224261
Energy: 1.7497664590946158
Energy: 1.52695902001921
Energy: 1.516673504767288
Energy: 1.517080842921055
Energy: 1.538541713177919
Energy: 1.5170808429226628
Energy: 1.7520781840019677
Energy: 1.5349749060150515
Energy: 1.5412048428539256
Energy: 1.5349749060142475
Energy: 1.7847969553579632
Energy: 1.6335254538919064
Energy: 1.779282342608294
Energy: 1.6335254538919064
Energy: 1.7554823515050944
Energy: 1.5169999748053382
Energy: 1.5393760087694677
Energy: 1.5169999747972982
Energy: 1.7804790649909699
Energy: 1.5543912523171155
Energy: 1.7563707584539539
Energy: 1.5543912523203316
Energy: 1.7794864981739609
Energy: 1.5205331240905928
Energy: 1.51974502705074
Energy: 1.520533124088985
Energy: 1.7539994268843826
Energy: 1.5195422517944468
Energy: 1.5228761334957117
Energy: 1.5195422517952508
Energy: 2.017673042197089
Energy: 1.5271789369243072
Energy: 1.5330376779836725
Energy: 1.527178936925111
Energy: 2.0121290201674182
Energy: 1.578659271098849
Energy: 1.5446885221887932
Energy: 1.5786592710964371
Energy: 1.5022401285878126
Energy: 1.5032347933545993
Energy: 1.8013750718251262
Energy: 1.5032347933529913
Energy: 1.5037379846281504
Energy: 1.4999020706717765
Energy: 1.5666221422285789
Energy: 1.4999020706725805
Energy: 1.5006299673215746
Energy: 1.4970352566716862
Energy: 1.543480522804705
Energy: 1.4970352566716862
Energy: 1.499983397830175
Energy: 1.5002241724882441
Energy: 2.02244893805111
Energy: 1.5002241724850278
Energy: 1.780422591476863
Energy: 1.5787213964360227
Energy: 1.5435791008449078
Energy: 1.5787213964303943
Energy: 1.7797256050171395
Energy: 1.5236089373386763
Energy: 1.5446122563413065
Energy: 1.52360893733948
Energy: 1.7504287338123874
Energy: 1.5246179580627137
Energy: 1.5262094956005352
Energy: 1.5246179580683417
Energy: 1.540808833134405
Energy: 1.5185919980567304
Energy: 1.516083671911013
Energy: 1.5185919980567304

minimum gb energy = 1.4925395241816524 eV
minimum distance =  2.21003771308845 Angstroms
sigma value = 1


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

Energy: 2.192536305997427
Energy: 1.4455362718612472
Energy: 1.721216571889593
Energy: 1.4173148139661258
Energy: 1.4516378790108626
Energy: 1.4510169915683195
Energy: 1.8089364890703494
Energy: 1.4510169915683195
Energy: 1.794642971945535
Energy: 1.5892496933661695
Energy: 1.787222332069089
Energy: 1.589249693360662
Energy: 1.465556273265828
Energy: 1.588570693478009
Energy: 1.7662505444208731
Energy: 1.588570693490187
Energy: 1.4442582053280955
Energy: 1.4442987649855998
Energy: 1.7746458151505624
Energy: 1.4442987649844885
Energy: 1.443606732915771
Energy: 1.4464128367716211
Energy: 1.7745505696916375
Energy: 1.446412836766113
Energy: 1.4416611167266398
Energy: 1.4436641725840642
Energy: 1.7700909169964378
Energy: 1.4436641725829527
Energy: 1.4666383208719733
Energy: 1.4524327885891903
Energy: 2.0603251966678933
Energy: 1.452432788591414
Energy: 1.774369928758393
Energy: 1.5285088270403977
Energy: 2.0679630215143683
Energy: 1.5285088270403977
Energy: 1.827890069984546
Energy: 1.4602807997286629
Energy: 1.4535015293304252
Energy: 1.4602807997231042
Energy: 1.770829488343651
Energy: 1.4418629564132575
Energy: 1.4404515524769501
Energy: 1.441862956407699
Energy: 2.048234855463241
Energy: 1.4484478545200097
Energy: 1.44633076430829
Energy: 1.4484478545200097
Energy: 2.0554774454438474
Energy: 1.4434450802127874
Energy: 1.4457162704410973
Energy: 1.4434450802116756
Energy: 1.7653623349084906
Energy: 1.5874600637690326
Energy: 1.784930512837538
Energy: 1.5874600637679208
Energy: 1.471033088298874
Energy: 1.5883628805486092
Energy: 1.7867069813310668
Energy: 1.5883628805586143
Energy: 1.4638329145935955
Energy: 1.447985389699374
Energy: 1.7683991367961112
Energy: 1.4479853897049322
Energy: 1.445582468914563
Energy: 1.443422435376526
Energy: 1.7799381930361042
Energy: 1.4434224353787493
Energy: 1.4733818738129294
Energy: 1.4538841501537998
Energy: 1.7785954995205269
Energy: 1.453884150156023
Energy: 1.4413086705989016
Energy: 1.442701816343099
Energy: 2.0646479495651087
Energy: 1.4427018163386522
Energy: 1.4524606048033297
Energy: 1.453883752536021
Energy: 2.0593856199922382
Energy: 1.453883752532686
Energy: 1.77657563457598
Energy: 1.5279640348792694
Energy: 1.9876768242219252
Energy: 1.5279640348770458
Energy: 1.78021693168032
Energy: 1.4476264220798598
Energy: 1.450856088848931
Energy: 1.4476264220843065
Energy: 1.7686098620974202
Energy: 1.4439064296108666
Energy: 1.4476754262747464
Energy: 1.443906429605308
Energy: 2.051745347425331
Energy: 1.4433957088665996
Energy: 1.4424524562233323
Energy: 1.4433957088743814

minimum gb energy = 1.4173148139661258 eV
minimum distance =  2.21247462279197 Angstroms
sigma value = 17


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

Energy: 2.3261169342111803
Energy: 1.418951255625217
Energy: 1.716269745818857
Energy: 1.3995619094241334
Energy: 1.4264294325709668
Energy: 1.421115393569003
Energy: 1.6252753638381696
Energy: 1.4211153935662546
Energy: 1.8029311499324132
Energy: 1.710995665572205
Energy: 1.6457837997950764
Energy: 1.7109956655715175
Energy: 1.8583988935227167
Energy: 1.492872678744972
Energy: 1.613197990014843
Energy: 1.4928726787422237
Energy: 1.598272354145823
Energy: 1.3986701996013793
Energy: 1.8641206130718375
Energy: 1.3986701995993183
Energy: 1.4007573345896533
Energy: 1.3978798064255527
Energy: 1.834410838867444
Energy: 1.3978798064228042
Energy: 1.4037581037186229
Energy: 1.3980191649217235
Energy: 1.4315397469507725
Energy: 1.3980191649189753
Energy: 1.4104557574720733
Energy: 1.4019574410953084
Energy: 1.8389126201926151
Energy: 1.4019574410953084
Energy: 1.8319513190444563
Energy: 1.3972981333741943
Energy: 1.802432417042977
Energy: 1.397298133378317
Energy: 1.6495909136693945
Energy: 1.4970333825428788
Energy: 1.6493347254145425
Energy: 1.49703338254494
Energy: 1.8254273942510284
Energy: 1.4129732619582553
Energy: 1.4254365249193917
Energy: 1.4129732619610038
Energy: 1.8295581327341606
Energy: 1.4466289751202785
Energy: 1.615983908888353
Energy: 1.4466289751202785
Energy: 1.826335484160955
Energy: 1.411987837029024
Energy: 1.4128206209569631
Energy: 1.4119878370276497
Energy: 1.638025643516919
Energy: 1.4151721203625356
Energy: 1.4168015863417085
Energy: 1.415172120365284
Energy: 1.8508469254270572
Energy: 1.4174308637543294
Energy: 1.4301388763436709
Energy: 1.4174308637570776
Energy: 1.871338782846002
Energy: 1.4159191969664864
Energy: 1.643137198798262
Energy: 1.4159191969726703
Energy: 1.4142873135060081
Energy: 1.431458866410956
Energy: 1.865481140070957
Energy: 1.4314588664150787
Energy: 1.414037922890733
Energy: 1.413104790767203
Energy: 1.831817642307252
Energy: 1.4131047907685772
Energy: 1.4188537321771968
Energy: 1.422803577499765
Energy: 1.7983869733098596
Energy: 1.4228035774990782
Energy: 1.4171331265077312
Energy: 1.4136332061580255
Energy: 1.8460565729698761
Energy: 1.4136332061593997
Energy: 1.6252125017849879
Energy: 1.4183592823093785
Energy: 1.6373339192094842
Energy: 1.4183592823114395
Energy: 1.6485878002770527
Energy: 1.7120638928608178
Energy: 1.8074407964540236
Energy: 1.712063892861505
Energy: 1.6144297972683224
Energy: 1.4892710455640992
Energy: 1.8596836435665873
Energy: 1.4892710455819638
Energy: 1.8657394512119148
Energy: 1.40014473999668
Energy: 1.5984240334770805
Energy: 1.4001447399932443
Energy: 1.834498590508183
Energy: 1.3982972887046567
Energy: 1.3980420212218356
Energy: 1.3982972887053438
Energy: 1.6151786246803885
Energy: 1.3989518380051544
Energy: 1.4071720977399527
Energy: 1.3989518379989703
Energy: 1.8577512069979738
Energy: 1.3987083309069908
Energy: 1.3994202427360976
Energy: 1.398708330908365
Energy: 1.6181240737415625
Energy: 1.49696642320659
Energy: 1.8357035063811147
Energy: 1.4969664232052156
Energy: 1.62734096689142
Energy: 1.4190649848502879
Energy: 1.64347600966424
Energy: 1.4190649848461652
Energy: 1.4273327569677388
Energy: 1.413861648948962
Energy: 1.8221310873865986
Energy: 1.4138616489509606
Energy: 1.614484491659375
Energy: 1.4149276932735184
Energy: 1.8269567499320476
Energy: 1.4149276932728312
Energy: 1.4132467428109827
Energy: 1.4137940235212123
Energy: 1.8265171670367693
Energy: 1.4137940235232735
Energy: 1.4134208041099527
Energy: 1.4140804026941323
Energy: 1.6394133532500808
Energy: 1.4140804027016904
Energy: 1.426393160254297
Energy: 1.4216527947265634
Energy: 1.8537904639982372
Energy: 1.4216527947251891
Energy: 1.647197573623438
Energy: 1.4141192700268195
Energy: 1.868987328907315
Energy: 1.4141192700275067
Energy: 2.1025613034250994
Energy: 1.422711854323055
Energy: 1.4155450240786853
Energy: 1.4227118543223682
Energy: 1.82756090758962
Energy: 1.4127265062600722
Energy: 1.413389494660918
Energy: 1.4127265062683176
Energy: 1.8023725576245628
Energy: 1.427963196188591
Energy: 1.415458964293841
Energy: 1.4279631961837815

minimum gb energy = 1.3972981333741943 eV
minimum distance =  2.20903043101055 Angstroms
sigma value = 89


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

Energy: 2.463441392352638
Energy: 1.288634868315871
Energy: 1.2897191958465433
Energy: 1.3271640295362317
Energy: 1.2899679038624066
Energy: 1.4126278835456416
Energy: 1.288139799636979
Energy: 1.4126278835456416
Energy: 1.2872934758891252
Energy: 1.4135443453868484
Energy: 1.3155053807626533
Energy: 1.4135443453886463
Energy: 1.2761815755126742
Energy: 1.401784311873052
Energy: 1.2842186550681407
Energy: 1.4017843118766478
Energy: 1.28401937379275
Energy: 1.2855897362315185
Energy: 1.3067306571528965
Energy: 1.2855897362297206
Energy: 1.308001191813286
Energy: 1.2833995840651753
Energy: 1.3051416763803683
Energy: 1.2833995840651753
Energy: 1.2841012028500074
Energy: 1.2818521119351873
Energy: 1.2859848912721095
Energy: 1.2818521119351873
Energy: 1.283865848454552
Energy: 1.2907569468424738
Energy: 1.2732209763737825
Energy: 1.2907569468442717
Energy: 1.286101356205858
Energy: 1.281802208727588
Energy: 1.2737036950426124
Energy: 1.28180220872579
Energy: 1.3221005702195834
Energy: 1.4133592610331582
Energy: 1.2903094366150183
Energy: 1.4133592610331582
Energy: 1.2861764944873095
Energy: 1.3974663167856698
Energy: 1.2715748159023714
Energy: 1.3974663167856698
Energy: 1.3042053120235673
Energy: 1.2828737408067792
Energy: 1.2889950463001456
Energy: 1.2828737408067792
Energy: 1.3044285730709793
Energy: 1.2870371740007722
Energy: 1.2840114996950156
Energy: 1.28703717400257
Energy: 1.2855981036039537
Energy: 1.280868584718827
Energy: 1.2826199750069407
Energy: 1.2808685847206247
Energy: 1.2731308087486273
Energy: 1.2859463144794876
Energy: 1.2864259235634832
Energy: 1.2859463144794876

minimum gb energy = 1.2715748159023714 eV
minimum distance =  2.23166450757335 Angstroms
sigma value = 13


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

Energy: 2.1852276244771334
Energy: 1.1985751791588097
Energy: 1.5625499204035005
Energy: 1.1938534145598283
Energy: 1.6644227897822728
Energy: 1.1955446242407526
Energy: 1.4411572611364325
Energy: 1.1955446242445205
Energy: 1.700619748900836
Energy: 1.1954297525209507
Energy: 1.4486752352800927
Energy: 1.1954297525171829
Energy: 1.6813961635158052
Energy: 1.201156101236178
Energy: 1.4267901172189612
Energy: 1.2011561012263823
Energy: 1.6691355134357844
Energy: 1.1976038293987177
Energy: 1.8746559641567757
Energy: 1.1976038294054994
Energy: 1.4251588271973032
Energy: 1.198511016004947
Energy: 1.875220917982888
Energy: 1.198511015993644
Energy: 1.4250626344490782
Energy: 1.195903955993209
Energy: 1.6636840287683428
Energy: 1.1959039559909483
Energy: 1.4259982027501528
Energy: 1.1945957794437823
Energy: 1.8521699794007636
Energy: 1.1945957794272046
Energy: 1.217073009583688
Energy: 1.1994445844226318
Energy: 1.6764566758056876
Energy: 1.1994445844166035
Energy: 1.1946261362296398
Energy: 1.1959329090089135
Energy: 1.6808597907226037
Energy: 1.1959329090126811
Energy: 1.1983019250695552
Energy: 1.2061823428965999
Energy: 2.187411114840026
Energy: 1.2061823429003677
Energy: 1.8539422530741083
Energy: 1.267998181166165
Energy: 1.6804209079694676
Energy: 1.2679981811608898
Energy: 1.6808417009392824
Energy: 1.2670765463667195
Energy: 1.6714661256576937
Energy: 1.2670765463591842
Energy: 1.664875544018487
Energy: 1.2713553342880342
Energy: 1.682209517094457
Energy: 1.2713553342586463
Energy: 1.6639702256493554
Energy: 1.198375129695882
Energy: 1.6645131928860444
Energy: 1.1983751297019103
Energy: 1.6649672375836524
Energy: 1.1957946003963211
Energy: 1.1995667398552565
Energy: 1.1957946003963211
Energy: 1.6635703852884776
Energy: 1.1954928090916315
Energy: 1.1979396007186147
Energy: 1.195492809090878
Energy: 2.0777501989804614
Energy: 1.1974422898875072
Energy: 1.1982492689999076
Energy: 1.1974422898852466
Energy: 1.6360829787749775
Energy: 1.2169228403906829
Energy: 1.4197352522809878
Energy: 1.216922840395204
Energy: 1.6753640339989604
Energy: 1.193628854164777
Energy: 1.4436191393717812
Energy: 1.1936288541564881
Energy: 1.6937826055028113
Energy: 1.2002808288718299
Energy: 1.421153187846454
Energy: 1.200280828876351
Energy: 1.6760209278172158
Energy: 1.194302699268662
Energy: 1.8509077318257163
Energy: 1.1943026992618804
Energy: 1.4503341153194036
Energy: 1.1980088375846032
Energy: 1.8762099542487456
Energy: 1.1980088375838498
Energy: 1.200576588654518
Energy: 1.193862033519813
Energy: 1.6663181907876352
Energy: 1.1938620335281014
Energy: 1.4233091870101915
Energy: 1.1962467535347372
Energy: 1.852904485280046
Energy: 1.1962467535317234
Energy: 1.196987004383886
Energy: 1.220588597474352
Energy: 1.8730714899041
Energy: 1.2205885974796267
Energy: 1.195134733258485
Energy: 1.1942663159291294
Energy: 1.6724102985633058
Energy: 1.1942663159328972
Energy: 1.221341744842973
Energy: 1.2007696273893718
Energy: 1.68868794487378
Energy: 1.2007696273848505
Energy: 1.6714639757240994
Energy: 1.1944514433955373
Energy: 1.635385264281012
Energy: 1.194451443405333
Energy: 1.441723294823137
Energy: 1.2717366731807147
Energy: 1.666818737924767
Energy: 1.2717366731890036
Energy: 1.6701953649257388
Energy: 1.267400650384757
Energy: 1.6949514745413214
Energy: 1.2674006503968136
Energy: 1.6629547130485531
Energy: 1.1964052496892508
Energy: 1.6652239184225273
Energy: 1.196405249679455
Energy: 1.6646294743115206
Energy: 1.1986650334743856
Energy: 1.2221985361292165
Energy: 1.1986650334766464
Energy: 1.6655611205433623
Energy: 1.1935544836604706
Energy: 1.1944290718106032
Energy: 1.1935544836544423
Energy: 1.6328243354609058
Energy: 1.196574014212545
Energy: 1.2016981234137523
Energy: 1.1965740142178198

minimum gb energy = 1.1935544836544423 eV
minimum distance =  2.22779125112201 Angstroms
sigma value = 37


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

Energy: 1.9274714717651869
Energy: 1.079661874827434
Energy: 1.0806857215719916
Energy: 1.136744828887469
Energy: 1.8769842976203284
Energy: 1.080778133999139
Energy: 1.4708430374979375
Energy: 1.080778133999139
Energy: 1.8543823206497068
Energy: 1.0781741316501952
Energy: 1.4764669856296642
Energy: 1.0781741316488986
Energy: 1.8540392120417888
Energy: 1.2135381548155753
Energy: 1.471251994660282
Energy: 1.2135381548155753
Energy: 1.8750565376253057
Energy: 1.2145831272663223
Energy: 1.4706496050104294
Energy: 1.2145831272689152
Energy: 1.3247063088667936
Energy: 1.0800912022623363
Energy: 1.8753028990604759
Energy: 1.0800912022597433
Energy: 1.073238771431369
Energy: 1.0776278703393456
Energy: 1.874688515196961
Energy: 1.0776278703380493
Energy: 1.0933377966039575
Energy: 1.079822622341552
Energy: 1.8688226039895484
Energy: 1.079822622341552
Energy: 1.0786955967640224
Energy: 1.0847943413717758
Energy: 1.8684544776712906
Energy: 1.0847943413704793
Energy: 1.078274912640164
Energy: 1.0807139433175417
Energy: 1.8715821994904205
Energy: 1.0807139433162454
Energy: 1.0806844312357355
Energy: 1.136744828887469
Energy: 1.9274714717638906
Energy: 1.0796618727851448
Energy: 1.4708430374992338
Energy: 1.0807781339978424
Energy: 1.8716143498933668
Energy: 1.0807781340004354
Energy: 1.4764669856361463
Energy: 1.0781741316488986
Energy: 1.85438232064844
Energy: 1.0781741316476021
Energy: 1.4712519946797287
Energy: 1.213538154818168
Energy: 1.8540392120443816
Energy: 1.213538154818168
Energy: 1.4706496050065403
Energy: 1.2145831272676186
Energy: 1.8750565376253057
Energy: 1.2145831272663223
Energy: 1.7272744248289218
Energy: 1.0800912022636326
Energy: 1.4777385843203479
Energy: 1.0800912022610398
Energy: 1.8746885151982575
Energy: 1.0776278703419384
Energy: 1.0732387714326652
Energy: 1.0776278703406421
Energy: 1.8688226039908447
Energy: 1.0798226223428482
Energy: 1.0933377966026612
Energy: 1.0798226223441447
Energy: 1.8684544776738834
Energy: 1.0847943413691832
Energy: 1.0786955967640224
Energy: 1.0847943413704793
Energy: 1.8765921102598404
Energy: 1.0807139433201347
Energy: 1.0782749126388675
Energy: 1.0807139433175417

minimum gb energy = 1.073238771431369 eV
minimum distance =  2.23582581851209 Angstroms
sigma value = 25


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

Energy: 2.2539314381761497
Energy: 0.9487784632563904
Energy: 0.9536122948797437
Energy: 1.0001649797711811
Energy: 2.094844864490253
Energy: 0.9501713285556228
Energy: 1.2649955700206208
Energy: 0.9501713285596722
Energy: 2.0781468836302537
Energy: 0.9487676893280391
Energy: 1.269455949629584
Energy: 0.9487676893280391
Energy: 1.5879678015466236
Energy: 0.9563292673520466
Energy: 1.6039140623535846
Energy: 0.9563292673490096
Energy: 2.0908732745183944
Energy: 1.0544898000959435
Energy: 1.842801989425305
Energy: 1.0544898000969558
Energy: 1.580448931700272
Energy: 1.0537367803075244
Energy: 1.8347757719581013
Energy: 1.0537367803075244
Energy: 1.5835746698531832
Energy: 1.0546037911262272
Energy: 1.8347365467304362
Energy: 1.0546037911262272
Energy: 1.6040176972484945
Energy: 0.9565282364768234
Energy: 1.8286781858993906
Energy: 0.956528236478802
Energy: 1.2694482053502787
Energy: 0.94853940748235
Energy: 2.0980001164169213
Energy: 0.94853940748235
Energy: 1.273696375238348
Energy: 0.950384518355572
Energy: 2.095189242971706
Energy: 0.9503845183535473
Energy: 0.949694614903917
Energy: 0.9565708067046019
Energy: 1.9273406667496682
Energy: 0.9565708066985279
Energy: 0.9546872297634613
Energy: 0.9500469240844933
Energy: 2.0941140002259466
Energy: 0.9500469240855058
Energy: 0.951396626255055
Energy: 0.9538675568502228
Energy: 2.077617392875473
Energy: 0.9538675568492105
Energy: 1.2670423255520207
Energy: 0.9610926661984159
Energy: 2.0736420893272958
Energy: 0.9610926661994283
Energy: 1.269043495906346
Energy: 0.9484591616938737
Energy: 2.090827835423105
Energy: 0.9484591616938737
Energy: 1.2658333925406462
Energy: 0.9509669320947691
Energy: 2.0822016779147354
Energy: 0.9509669320947691
Energy: 1.83806987823575
Energy: 0.9524060583934979
Energy: 2.078069212289161
Energy: 0.9524060583945101
Energy: 1.2737765331544857
Energy: 1.0589091392421999
Energy: 1.8338875636270007
Energy: 1.0589091392391627
Energy: 1.8339620724565995
Energy: 1.0548936159300082
Energy: 1.5822936278839868
Energy: 1.0548936159310207
Energy: 2.09335158821223
Energy: 1.0530284709013675
Energy: 1.5806139270544846
Energy: 1.0530284709003555
Energy: 1.8301449136943853
Energy: 0.9596459411243966
Energy: 1.279262638774367
Energy: 0.9596459411254089
Energy: 2.093848656164733
Energy: 0.9473869425186943
Energy: 0.9495253558039303
Energy: 0.9473869425166694
Energy: 2.0915599691942313
Energy: 0.9534843233883173
Energy: 1.2658203602212124
Energy: 0.9534843233923667
Energy: 1.8276763960125746
Energy: 0.9602903142910729
Energy: 0.9497640705312396
Energy: 0.9602903142930976
Energy: 2.090622833504761
Energy: 0.9484055832543783
Energy: 0.9496805702584422
Energy: 0.9484055832553906
Energy: 2.0785930498204235
Energy: 0.9519778804996312
Energy: 0.9567540086928179
Energy: 0.9519778805006435

minimum gb energy = 0.9473869425166694 eV
minimum distance =  2.23967945396321 Angstroms
sigma value = 41


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

Energy: 2.247074596647651
Energy: 0.8584568060197788
Energy: 1.3075919668374196
Energy: 0.8999118290970877
Energy: 2.23352790965265
Energy: 0.8595622048513344
Energy: 1.1200977062611552
Energy: 0.8595622048505045
Energy: 2.224744776729082
Energy: 0.8557562809195509
Energy: 1.1270568472470894
Energy: 0.8557562809120814
Energy: 1.8143310488988396
Energy: 0.8647196122777797
Energy: 1.6128360675474378
Energy: 0.8647196122877393
Energy: 2.2302078072770692
Energy: 0.8536105352725606
Energy: 1.6019490193926724
Energy: 0.8536105352684107
Energy: 1.8074006239418376
Energy: 0.8565536489760707
Energy: 1.5959598374025536
Energy: 0.8565536489777307
Energy: 1.811218612612777
Energy: 0.9444003916299174
Energy: 2.020874798989489
Energy: 0.9444003916332373
Energy: 1.8194563326617121
Energy: 0.9489387355508936
Energy: 1.6005064704997873
Energy: 0.9489387355467437
Energy: 1.385402137230912
Energy: 0.8578634508355838
Energy: 2.015587351359997
Energy: 0.8578634508355838
Energy: 1.3847910183554344
Energy: 0.8541981044089557
Energy: 2.2338032847251315
Energy: 0.8541981044056358
Energy: 1.139309694217358
Energy: 0.8673315272939895
Energy: 2.0119868489601545
Energy: 0.8673315272948195
Energy: 1.1272201851829837
Energy: 0.8543820272456614
Energy: 2.2338511621759776
Energy: 0.8543820272481514
Energy: 1.1216596008611657
Energy: 0.8586092184722409
Energy: 2.2357875162668925
Energy: 0.8586092184672612
Energy: 0.8686328541345532
Energy: 0.8660836754029757
Energy: 2.0236366645873187
Energy: 0.8660836754054657
Energy: 0.8579187947053125
Energy: 0.8575483259655107
Energy: 2.2332776382266246
Energy: 0.8575483259688306
Energy: 0.8635577428501342
Energy: 0.8582978820743967
Energy: 2.2255907246915414
Energy: 0.8582978820736422
Energy: 1.1330084879679105
Energy: 0.8619130149316251
Energy: 2.2323154920994193
Energy: 0.8619130149316251
Energy: 1.1223357639719456
Energy: 0.8545107338767636
Energy: 2.231943646307516
Energy: 0.8545107338800834
Energy: 1.1260561188245943
Energy: 0.860522479368857
Energy: 1.8061594182579503
Energy: 0.8605224793696868
Energy: 1.603701752050782
Energy: 0.8578876453931524
Energy: 1.803927720355427
Energy: 0.8578876453989621
Energy: 1.6078072058265074
Energy: 0.8547574449516364
Energy: 2.019015011220749
Energy: 0.8547574449532964
Energy: 1.6054363775385876
Energy: 0.9442921384609464
Energy: 1.8115747509922169
Energy: 0.9442921384567967
Energy: 2.0154526090488947
Energy: 0.9406338396236387
Energy: 1.8030153863585383
Energy: 0.9406338396236387
Energy: 1.6003634555172694
Energy: 0.9452771865253654
Energy: 1.6047399506885542
Energy: 0.9452771865270253
Energy: 2.022233612508395
Energy: 0.8547832519811488
Energy: 1.388604441994045
Energy: 0.8547832519861285
Energy: 2.015509728312269
Energy: 0.857248163130455
Energy: 1.5997308437387294
Energy: 0.8572481631279653
Energy: 2.019329128838977
Energy: 0.8606822005566409
Energy: 1.1454069760673484
Energy: 0.8606822005591306
Energy: 2.2288603510973592
Energy: 0.8554837626450252
Energy: 1.129812396449207
Energy: 0.8554837753070295
Energy: 2.017876853211371
Energy: 0.8669859159580501
Energy: 1.1311359496582507
Energy: 0.8669859159572202
Energy: 2.0143249250376405
Energy: 0.8631978653064841
Energy: 0.8592556287387549
Energy: 0.8631978653064841
Energy: 2.230801218047658
Energy: 0.8571857487134452
Energy: 0.8572985023489272
Energy: 0.8571857487151051
Energy: 2.23567291919429
Energy: 0.865227375189248
Energy: 0.8549582895481246
Energy: 0.8652273751925678

minimum gb energy = 0.8536105352684107 eV
minimum distance =  2.23971622498345 Angstroms
sigma value = 15


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

Energy: 2.1301435533895168
Energy: 0.7939606187972478
Energy: 1.254849967512827
Energy: 0.8229547939678233
Energy: 2.332892611706126
Energy: 0.7879809678483849
Energy: 1.036639600789061
Energy: 0.787980967849088
Energy: 2.3231948498432193
Energy: 0.785966982402363
Energy: 1.016612831920112
Energy: 0.7859669824044723
Energy: 1.9929703224873456
Energy: 0.7934273309582137
Energy: 1.4381331248353242
Energy: 0.7934273309631356
Energy: 2.1603679032118444
Energy: 0.782173933058309
Energy: 1.42037969609528
Energy: 0.782173933058309
Energy: 1.9677749041917953
Energy: 0.7837956129728256
Energy: 1.4201324584425428
Energy: 0.7837956129728256
Energy: 1.601877433631515
Energy: 0.7863968253586657
Energy: 1.7917271966337456
Energy: 0.7863968253586657
Energy: 1.9773826805229902
Energy: 0.8664917829547304
Energy: 1.4230904706824905
Energy: 0.8664917829526211
Energy: 1.5996421792058284
Energy: 0.858009893887231
Energy: 1.7830934420991986
Energy: 0.8580098938907464
Energy: 1.599153501087656
Energy: 1.125076187714407
Energy: 2.143929197211641
Energy: 1.1250761877115947
Energy: 1.4352797981771857
Energy: 0.7883227710488632
Energy: 1.7989666897875618
Energy: 0.7883227710516754
Energy: 1.2360228617280218
Energy: 0.7828177088007832
Energy: 2.1451099620959266
Energy: 0.7828177088014863
Energy: 1.4230761827448524
Energy: 0.7844161664886382
Energy: 2.142162735406799
Energy: 0.7844161664921537
Energy: 1.0308491315263524
Energy: 0.7932798221159884
Energy: 1.7899201565207596
Energy: 0.7932798221159884
Energy: 1.017380687256613
Energy: 0.7834631842717692
Energy: 2.32982222076594
Energy: 0.783463184270363
Energy: 1.0236277198790793
Energy: 0.7895301313296648
Energy: 2.144624211335456
Energy: 0.7895301313261492
Energy: 0.7943709714102073
Energy: 0.7942676278416391
Energy: 2.1499624587689605
Energy: 0.7942676278423421
Energy: 0.7850100608091861
Energy: 0.7837741528264058
Energy: 2.328598742376288
Energy: 0.7837741528285151
Energy: 0.7989780509995208
Energy: 0.7895430699662389
Energy: 1.9668912305990898
Energy: 0.7895430699662389
Energy: 1.0240159326021439
Energy: 0.7874402263830274
Energy: 2.329756739281199
Energy: 0.7874402263830274
Energy: 1.008196807077943
Energy: 0.7835412673110069
Energy: 2.329682756741605
Energy: 0.7835412673110069
Energy: 1.0246852291995006
Energy: 0.792314239251222
Energy: 1.974991775534388
Energy: 0.7923142392519252
Energy: 1.4229811482357335
Energy: 0.7849051553951358
Energy: 1.9609560887812338
Energy: 0.7849051553986512
Energy: 1.427027121391101
Energy: 0.7832350015451811
Energy: 2.1473905986839013
Energy: 0.7832350015501027
Energy: 1.4335353706164802
Energy: 0.7871115429412763
Energy: 1.6088663315612501
Energy: 0.7871115429405734
Energy: 1.783864296283481
Energy: 1.1253099944573624
Energy: 2.147844159392429
Energy: 1.1253099944573624
Energy: 1.418670821027127
Energy: 0.8571778519038383
Energy: 1.7859247020650024
Energy: 0.8571778518982136
Energy: 1.7958170264952438
Energy: 0.8587026258279169
Energy: 1.6081055537309483
Energy: 0.8587026261385539
Energy: 1.784358248444575
Energy: 0.7835771192854685
Energy: 1.7897938806726752
Energy: 0.7835771192882808
Energy: 1.7813910506831487
Energy: 0.784176529742852
Energy: 1.4244909655961764
Energy: 0.7841765297463674
Energy: 2.1544401858926054
Energy: 0.7822808182147946
Energy: 1.2359760663120734
Energy: 0.782280818211279
Energy: 1.7979574492556012
Energy: 0.7926620743737613
Energy: 1.4344191108179833
Energy: 0.7926620743751676
Energy: 2.143397988496226
Energy: 0.785004360495921
Energy: 1.0255850829825452
Energy: 0.785004360495921
Energy: 2.3345720514481787
Energy: 0.7866399305917073
Energy: 1.0277948860646207
Energy: 0.7866399305910041
Energy: 2.1798383716457295
Energy: 0.7964349419326415
Energy: 0.8066702548911548
Energy: 0.7964349419312353
Energy: 2.3324239017999
Energy: 0.7873271638897205
Energy: 0.7909860109288972
Energy: 0.7873271638897205
Energy: 2.319962515776243
Energy: 0.788001872350326
Energy: 0.7888786786926363
Energy: 0.7880018723524354

minimum gb energy = 0.782173933058309 eV
minimum distance =  2.23816238238694 Angstroms
sigma value = 85


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

Energy: 2.2723131222258615
Energy: 0.7038473253472471
Energy: 0.7037169171457314
Energy: 0.7681055655107057
Energy: 2.3875154058345927
Energy: 0.705664623016248
Energy: 0.9110952536235379
Energy: 0.705664623013809
Energy: 2.061046580780897
Energy: 0.7050937462100481
Energy: 0.9097812094313387
Energy: 0.7050937462112676
Energy: 1.7366209271953097
Energy: 0.7033422644587759
Energy: 1.2639877339215289
Energy: 0.7033422644587759
Energy: 2.2227649338944993
Energy: 0.7024909436158234
Energy: 1.263556286968815
Energy: 0.7024909436122202
Energy: 1.7392707808850858
Energy: 0.7038488010341062
Energy: 1.2671180112088007
Energy: 0.7038488010347159
Energy: 1.7448959023506405
Energy: 0.7040808075283219
Energy: 1.5836280206951385
Energy: 0.7040808075283219
Energy: 1.9054636614323193
Energy: 0.7032158745276488
Energy: 1.2610092425720687
Energy: 0.7032158745276488
Energy: 1.7468703979516629
Energy: 1.039646918076736
Energy: 1.5865164077961194
Energy: 1.0396469180749068
Energy: 1.7436908361375547
Energy: 1.2963075784941047
Energy: 1.9062431554329535
Energy: 1.2963075784959341
Energy: 1.583677694260537
Energy: 0.8279852915136738
Energy: 1.5817894871204838
Energy: 0.8279852915033075
Energy: 1.423293626123795
Energy: 0.7026675762733754
Energy: 1.9075854156527547
Energy: 0.7026675762733754
Energy: 1.592827271843613
Energy: 0.7028176702340486
Energy: 1.9025282486678206
Energy: 0.702817670232829
Energy: 1.2639149564730492
Energy: 0.7042006650120046
Energy: 1.5768357195064828
Energy: 0.7042006650095656
Energy: 1.0954523523503
Energy: 0.7026711254742533
Energy: 2.2234241481340016
Energy: 0.7026711254766925
Energy: 1.271671446481737
Energy: 0.7061328501152916
Energy: 1.9009007109302536
Energy: 0.706132850113462
Energy: 0.9055110633022444
Energy: 0.7054628321692898
Energy: 1.9060195293739441
Energy: 0.7054628321705094
Energy: 0.9017946539173614
Energy: 0.7029844656857498
Energy: 2.383038687644165
Energy: 0.7029844656863596
Energy: 0.9181969520109309
Energy: 0.7031084276726581
Energy: 2.215199999492913
Energy: 0.7031084276714384
Energy: 0.7034285764373731
Energy: 0.7029388827991019
Energy: 2.2152772395385427
Energy: 0.7029388827972726
Energy: 0.7045300318038089
Energy: 0.7034058031302601
Energy: 2.3831574361663117
Energy: 0.7034058031314798
Energy: 0.7033535474375018
Energy: 0.7032845093011538
Energy: 2.0584760135010702
Energy: 0.7032845093005442
Energy: 0.9116918257798204
Energy: 0.7035044973181032
Energy: 2.3767517254223116
Energy: 0.7035044973174934
Energy: 0.9034873022246986
Energy: 0.7028796965769416
Energy: 2.384912042031769
Energy: 0.7028796965793807
Energy: 0.9051805432869139
Energy: 0.7030790619329736
Energy: 1.7362985263861608
Energy: 0.7030790619354128
Energy: 1.266262232035338
Energy: 0.7036856138761222
Energy: 2.375796881206024
Energy: 0.7036856138791711
Energy: 1.2630694607528126
Energy: 0.7028112081737924
Energy: 2.0636881882933586
Energy: 0.7028112081768414
Energy: 1.5838385162779305
Energy: 0.7064599170733736
Energy: 1.7394990483567643
Energy: 0.7064599170733736
Energy: 1.585038443557903
Energy: 0.7029724728868162
Energy: 2.0779816950287406
Energy: 0.7029724728843769
Energy: 1.5834589521815665
Energy: 0.7044061392270402
Energy: 1.7425410597807467
Energy: 0.7044061392398456
Energy: 1.9120303874908382
Energy: 0.8302610795513283
Energy: 1.4207652827493684
Energy: 0.8302610795525479
Energy: 1.5859771843964248
Energy: 0.8299288780367007
Energy: 1.9132640074210165
Energy: 0.8299288780287734
Energy: 1.9047479183149014
Energy: 0.7042200769382386
Energy: 1.4196382177723672
Energy: 0.7042200769614105
Energy: 2.220748662564271
Energy: 0.702509610832485
Energy: 1.4196241859099532
Energy: 0.7025096108306556
Energy: 1.5771923429786214
Energy: 0.7046021346866538
Energy: 1.2647964999862014
Energy: 0.7046021346884831
Energy: 2.221503290177579
Energy: 0.7026189081854625
Energy: 1.2630455552730935
Energy: 0.702618908184243
Energy: 2.2183977732125677
Energy: 0.7040030683766857
Energy: 1.2648458146848514
Energy: 0.7040030683772954
Energy: 1.8997323405215616
Energy: 0.7030999848536357
Energy: 0.9138851028428258
Energy: 0.7030999848536357
Energy: 2.38491872914758
Energy: 0.7027640421324831
Energy: 0.9053157766863443
Energy: 0.7027640421306537
Energy: 2.2185125587489765
Energy: 0.7030943881193611
Energy: 0.9101733413413617
Energy: 0.7030943881205806
Energy: 1.8965268559907702
Energy: 0.702811810068357
Energy: 0.7029288716629192
Energy: 0.7028118100707962
Energy: 2.3821282419130325
Energy: 0.7032069194278472
Energy: 0.703863344215385
Energy: 0.703206919428457
Energy: 2.063384714643185
Energy: 0.7034240839371603
Energy: 0.7034622974331856
Energy: 0.7034240839365504

minimum gb energy = 0.7024909436122202 eV
minimum distance =  2.23911397886074 Angstroms
sigma value = 113


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

Energy: 0.022490186512518325
Energy: 0.6928906328821534
Energy: 1.8582490980363597
Energy: 0.023671961004474086
Energy: 1.3205118576584864
Energy: 0.16572222384572816
Energy: 1.3272174786071183
Energy: 0.16572222384572816
Energy: 0.023349627410706557
Energy: 0.1633330383849955
Energy: 1.3255223536947138
Energy: 0.16333303838317245
Energy: 0.024998581661277795
Energy: 0.16675882182354243
Energy: 1.3291059925031528
Energy: 0.16675882182401122
Energy: 1.325299310764357
Energy: 0.16645254297585524
Energy: 1.330013020382607
Energy: 0.16645254297814704
Energy: 0.02320387967985114
Energy: 0.16329190717645703
Energy: 1.324940676287954
Energy: 0.16329190717781128

minimum gb energy = 0.022490186512518325 eV
minimum distance =  2.45260709848656 Angstroms
sigma value = 1