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
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.019937566913687033
Energy: 0.02158336217307298
Energy: 0.019944734271707988
Energy: 0.02158336217373593
Energy: 0.021583362174362044
Energy: 1.3975834470163797
Energy: 0.02158336217373593
Energy: 1.3975834470163797
Energy: 0.019944734271045043
Energy: 0.02158336217373593
Energy: 0.019937566913687033
Energy: 0.02158336217373593
Energy: 0.02158336217373593
Energy: 1.3975834470163797
Energy: 0.02158336217373593
Energy: 1.3975834470163797

minimum gb energy = 0.019937566913687033 eV
minimum distance =  2.44003330686471 Angstroms
sigma value = 1


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

Energy: 1.421876006989299
Energy: 1.5116165836476534
Energy: 1.2572553828103097
Energy: 1.5116165836500655
Energy: 1.376347469561593
Energy: 1.4680175220306324
Energy: 1.383062103064291
Energy: 1.4680175220322402
Energy: 1.33522317924419
Energy: 1.4910700000264852
Energy: 1.363690945485366
Energy: 1.4910700000272887
Energy: 1.3496337860054062
Energy: 1.460581668788143
Energy: 1.3468350498816388
Energy: 1.460581668790555
Energy: 1.3543657327047671
Energy: 1.5148409145122848
Energy: 1.3537298410605247
Energy: 1.5148409145122848
Energy: 1.295401438635667
Energy: 1.458227676702734
Energy: 1.3068657470753284
Energy: 1.458227676702734
Energy: 1.381677697877704
Energy: 1.4905262483235837
Energy: 1.297298956280811
Energy: 1.4905262483243877
Energy: 1.2009272632160584
Energy: 1.5130777451833326
Energy: 1.2988372788928295
Energy: 1.5130777451841366
Energy: 1.3479417561671108
Energy: 1.7354659345152754
Energy: 1.3795624700392362
Energy: 1.7354659345209038
Energy: 1.3016564238237356
Energy: 1.4916795318767655
Energy: 1.1862615217226915
Energy: 1.4916795318791776
Energy: 1.36863623609874
Energy: 1.4627092464933458
Energy: 1.348242804464335
Energy: 1.4627092464949536
Energy: 1.3172634235410987
Energy: 1.5129900297124368
Energy: 1.3217699684660844
Energy: 1.512990029715653
Energy: 1.3840502055136847
Energy: 1.4903380252334568
Energy: 1.381132234663131
Energy: 1.490338025235065
Energy: 1.3634434166125362
Energy: 1.498582912150703
Energy: 1.3337898301464204
Energy: 1.4985829121490948
Energy: 1.3680433440541993
Energy: 1.5121563664480728
Energy: 1.362393817526477
Energy: 1.512156366450485
Energy: 1.3568628399168285
Energy: 1.5125295863153825
Energy: 1.3629428745088767
Energy: 1.5125295863129704
Energy: 1.3633596232457572
Energy: 1.4912860871874807
Energy: 1.267136692017868
Energy: 1.4912860871874807
Energy: 1.3836506181103674
Energy: 1.4422586670828956
Energy: 1.3773478295217991
Energy: 1.442258667081288
Energy: 1.222613045977219
Energy: 1.514533769773789
Energy: 1.32203024592927
Energy: 1.514533769772985
Energy: 1.3958136136337924
Energy: 1.367710325338299
Energy: 1.3517571311713723
Energy: 1.3677103253358867
Energy: 1.3028428115188844
Energy: 1.490742625727609
Energy: 1.2439923444718561
Energy: 1.490742625726001
Energy: 1.346888992457497
Energy: 1.3742154781007863
Energy: 1.3583057107810974
Energy: 1.3742154780991782
Energy: 1.3544262461903431
Energy: 1.5149476281285619
Energy: 1.276588225062037
Energy: 1.5149476281325818
Energy: 1.3358950497333326
Energy: 1.490538026882782
Energy: 1.2959979042536784
Energy: 1.490538026883586
Energy: 1.2970711982647527
Energy: 1.4539403544014597
Energy: 1.3810706206471475
Energy: 1.4539403544006557
Energy: 1.3493559647414903
Energy: 1.512992247250883
Energy: 1.2889265891370583
Energy: 1.5129922472500792
Energy: 1.3697338821742462
Energy: 1.4814206637103082
Energy: 1.3479379515058287
Energy: 1.4814206637103082
Energy: 1.282601165981011
Energy: 1.49003440709333
Energy: 1.3626259897266775
Energy: 1.4900344070965459
Energy: 1.3751408554982092
Energy: 1.4600965139962363
Energy: 1.3681599523366248
Energy: 1.4600965139962363
Energy: 1.3871161254678475
Energy: 1.5125237736967436
Energy: 1.322073936119871
Energy: 1.5125237736943316
Energy: 1.3771527350494144
Energy: 1.5008484539506157
Energy: 1.3838484423670014
Energy: 1.5008484539514195
Energy: 1.3396896998095125
Energy: 1.4923998179229905
Energy: 1.3713161003700778
Energy: 1.4923998179229905
Energy: 1.3541710841709198
Energy: 1.5268459463279045
Energy: 1.347255147959619
Energy: 1.5268459463262964

minimum gb energy = 1.1862615217226915 eV
minimum distance =  2.21393582045287 Angstroms
sigma value = 1


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

Energy: 1.6120427287503751
Energy: 1.623724668205102
Energy: 1.3300717979963006
Energy: 1.623724668208769
Energy: 1.4319255001027984
Energy: 1.5573454538449367
Energy: 1.4519663784023622
Energy: 1.55734545383852
Energy: 1.3510726919470697
Energy: 1.628279012863146
Energy: 1.4352463043930013
Energy: 1.628279012875063
Energy: 1.3912326827261643
Energy: 1.4252722797971609
Energy: 1.3603831591403341
Energy: 1.425272279781577
Energy: 1.3909430234395126
Energy: 1.5883916277393884
Energy: 1.4277986414727146
Energy: 1.5883916277302212
Energy: 1.4279561559442773
Energy: 1.5886907934972587
Energy: 1.427932706014502
Energy: 1.5886907935091759
Energy: 1.4311675266326642
Energy: 1.4248329554035246
Energy: 1.3944051022361377
Energy: 1.4248329553980246
Energy: 1.246545369378845
Energy: 1.6224341698807607
Energy: 1.3200358950020055
Energy: 1.622434169873427
Energy: 1.4058435410429235
Energy: 1.4628074710169288
Energy: 1.4746874241359154
Energy: 1.4628074710233043
Energy: 1.3914426035133687
Energy: 1.620191894101593
Energy: 1.3298097417410204
Energy: 1.6201918940905924
Energy: 1.4309394750007818
Energy: 1.5270083602656033
Energy: 1.4537141102129514
Energy: 1.5270083602564777
Energy: 1.3271689606003918
Energy: 1.6048098795297814
Energy: 1.434992847747106
Energy: 1.6048098795206143
Energy: 1.4563575866608973
Energy: 1.5889577123855838
Energy: 1.4277947864064262
Energy: 1.5889577123865006
Energy: 1.45657378302677
Energy: 1.5889765079030131
Energy: 1.396676835268733
Energy: 1.5889765079195137
Energy: 1.3269649995078314
Energy: 1.6049250990378257
Energy: 1.4343748215041654
Energy: 1.6049250990350754
Energy: 1.4309556919950657
Energy: 1.526691177082595
Energy: 1.452196244503826
Energy: 1.5266911770780114
Energy: 1.3914454643598415
Energy: 1.6200976060485797
Energy: 1.2475650344570859
Energy: 1.620097606052247
Energy: 1.4058724848423887
Energy: 1.4625863209178356
Energy: 1.4747450324554672
Energy: 1.4625863209187524
Energy: 1.2465480287312174
Energy: 1.622416871508398
Energy: 1.3199406781296465
Energy: 1.6224168715102312
Energy: 1.4311176350724901
Energy: 1.4250918581410525
Energy: 1.3603326942971827
Energy: 1.425091858145636
Energy: 1.4282377964429946
Energy: 1.5889250578097605
Energy: 1.356756238084535
Energy: 1.5889250578106773
Energy: 1.3910008077257596
Energy: 1.5884735599660964
Energy: 1.4276621436095511
Energy: 1.5884735599541793
Energy: 1.3909691274721383
Energy: 1.4249354694820364
Energy: 1.3558503686141066
Energy: 1.4249354694948702
Energy: 1.3511006412124111
Energy: 1.6279569703191785
Energy: 1.4343642004763166
Energy: 1.6279569703219285
Energy: 1.4319552064255818
Energy: 1.5572897810702775
Energy: 1.4518094193833533
Energy: 1.5572897810675272
Energy: 1.6120427287494588
Energy: 1.6237246682060187
Energy: 1.3300726278425214
Energy: 1.623724668207852
Energy: 1.4319255001018818
Energy: 1.5573454538440203
Energy: 1.4519663784014454
Energy: 1.557345453839437
Energy: 1.3510726919470697
Energy: 1.628279012863146
Energy: 1.4352463043930013
Energy: 1.6282790128741464
Energy: 1.3912326827215806
Energy: 1.4252722797971609
Energy: 1.3603831591403341
Energy: 1.42527227978341

minimum gb energy = 1.246545369378845 eV
minimum distance =  2.20669065346532 Angstroms
sigma value = 25


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

Energy: 1.6216898048335004
Energy: 1.71456871324675
Energy: 1.4927488120689139
Energy: 1.7145687132478158
Energy: 1.5602944907865963
Energy: 1.5825156001943035
Energy: 1.5358855097029995
Energy: 1.5825156001953693
Energy: 1.4390694687275354
Energy: 1.7650279510517712
Energy: 1.5372530530431996
Energy: 1.765027951059231
Energy: 1.5157503795774139
Energy: 1.5822425205294086
Energy: 1.4340092317233533
Energy: 1.5822425205294086
Energy: 1.4844440869214006
Energy: 1.7147643764574527
Energy: 1.3531362831190603
Energy: 1.7147643764542557
Energy: 1.5327641388401736
Energy: 1.7647573368069376
Energy: 1.531654246331845
Energy: 1.7647573368026748
Energy: 1.5473873671003295
Energy: 1.5938513593838932
Energy: 1.478047057525403
Energy: 1.5938513593892216
Energy: 1.4896695155515458
Energy: 1.7183901797065806
Energy: 1.400747631454812
Energy: 1.7183901797044492
Energy: 1.4776096481882384
Energy: 1.6450509437002507
Energy: 1.5475159164739876
Energy: 1.645050943705579
Energy: 1.5364836794161723
Energy: 1.7648192187342522
Energy: 1.476366495667319
Energy: 1.7648192187331866
Energy: 1.5259216834725966
Energy: 1.7141522073894933
Energy: 1.4998672245544447
Energy: 1.7141522073905586
Energy: 1.4350125172535246
Energy: 1.7132175844425244
Energy: 1.500634299853279
Energy: 1.7132175844435904
Energy: 1.5375154502017463
Energy: 1.7322652436431272
Energy: 1.432584863142871
Energy: 1.7322652436441928
Energy: 1.5406683317977035
Energy: 1.5502571341070392
Energy: 1.5458852772647897
Energy: 1.5502571341070392
Energy: 1.3996049922508589
Energy: 1.7143495608671155
Energy: 1.398791722931482
Energy: 1.7143495608649844
Energy: 1.5002834985678541
Energy: 1.527175019994295
Energy: 1.492107627425667
Energy: 1.5271750199964262
Energy: 1.3661855915357686
Energy: 1.764920445597187
Energy: 1.3650002839504105
Energy: 1.7649204455993184
Energy: 1.4340288947392323
Energy: 1.6425015533947085
Energy: 1.5069182424202165
Energy: 1.6425015533947085
Energy: 1.4579813197887095
Energy: 1.7142205339152419
Energy: 1.435308831297114
Energy: 1.7142205339173733
Energy: 1.434667726357763
Energy: 1.7644039017909545
Energy: 1.535166836563459
Energy: 1.7644039017952173
Energy: 1.5063774302601858
Energy: 1.5907508179606182
Energy: 1.5343495138558154
Energy: 1.590750817963815
Energy: 1.5755336589246778
Energy: 1.713698180824225
Energy: 1.517220636791316
Energy: 1.7136981808263563
Energy: 1.5134704331340634
Energy: 1.6722251942956805
Energy: 1.5342233348392766
Energy: 1.6722251942956805
Energy: 1.3163919693604607
Energy: 1.7683436938063506
Energy: 1.5364424876758527
Energy: 1.7683436938095476
Energy: 1.5004403115445892
Energy: 1.60225531438076
Energy: 1.4505592781260042
Energy: 1.6022553143828915

minimum gb energy = 1.3163919693604607 eV
minimum distance =  2.17914263428568 Angstroms
sigma value = 9


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

Energy: 1.6514955748952305
Energy: 1.6503809730430747
Energy: 1.5718427790673872
Energy: 1.6503809730430747
Energy: 1.5647530830637861
Energy: 1.738013763738977
Energy: 1.617452615382705
Energy: 1.7380137637415196
Energy: 1.4106818380464048
Energy: 1.6391824979266973
Energy: 1.5210644228289536
Energy: 1.6391824979228837
Energy: 1.6360819490241563
Energy: 1.5642399801144464
Energy: 1.4553054762003426
Energy: 1.5642399801119042
Energy: 1.6638295688060754
Energy: 1.7389188685527381
Energy: 1.526846333320923
Energy: 1.7389188685539803
Energy: 1.394282856474869
Energy: 1.6389334827346984
Energy: 1.4559847850642071
Energy: 1.6389334827423259
Energy: 1.6308127420250733
Energy: 1.4560293670902942
Energy: 1.4567449082524468
Energy: 1.4560293670839382
Energy: 1.5073485848980472
Energy: 1.6387196515222466
Energy: 1.442200109338809
Energy: 1.6387196515209754
Energy: 1.6313024228222652
Energy: 1.7386368418190867
Energy: 1.6608883366591791
Energy: 1.7386368418153022
Energy: 1.6393806292179272
Energy: 1.6422279405852491
Energy: 1.4553677105783804
Energy: 1.6422279405915765
Energy: 1.5146165635138629
Energy: 1.737832063765068
Energy: 1.5780957105148297
Energy: 1.7378320637637965
Energy: 1.6359332750472395
Energy: 1.6562861855568811
Energy: 1.4554550869307394
Energy: 1.6562861855568811
Energy: 1.3940006432027834
Energy: 1.645848882537057
Energy: 1.5063983144127906
Energy: 1.6458488825395996
Energy: 1.545846837565399
Energy: 1.637989817708309
Energy: 1.6185274264383478
Energy: 1.6379898177032242
Energy: 1.3939989852860464
Energy: 1.6454751484702637
Energy: 1.5071551096490403
Energy: 1.6454751484740773
Energy: 1.63593867983936
Energy: 1.656281464248258
Energy: 1.4554222230864133
Energy: 1.6562814642469867
Energy: 1.5148461087585403
Energy: 1.7377998857359205
Energy: 1.5210006230467255
Energy: 1.7377998857359205
Energy: 1.63966358194482
Energy: 1.6421968740255586
Energy: 1.4551810014364073
Energy: 1.6421968740230162
Energy: 1.6313445425674857
Energy: 1.738664184051767
Energy: 1.5273958419655138
Energy: 1.7386641840466817
Energy: 1.5071217645768558
Energy: 1.6386025961369475
Energy: 1.4421992256531533
Energy: 1.6386025961420325
Energy: 1.6307521202293314
Energy: 1.4558702544649826
Energy: 1.4567842909683202
Energy: 1.455870254470068

minimum gb energy = 1.3939989852860464 eV
minimum distance =  2.30437784745299 Angstroms
sigma value = 25


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

Energy: 1.5395982129325914
Energy: 1.6568763256617363
Energy: 1.7130229107077752
Energy: 1.6568763256617363
Energy: 1.5092254691907931
Energy: 1.7562787779831355
Energy: 1.4844434939847977
Energy: 1.7562787779847076
Energy: 1.484916894183596
Energy: 1.642749516012046
Energy: 1.4841263542293373
Energy: 1.642749516013618
Energy: 1.53870549431789
Energy: 1.593681578171705
Energy: 1.6455932680418528
Energy: 1.593681578170133
Energy: 1.6418623364492047
Energy: 1.5084016024592666
Energy: 1.549399820111503
Energy: 1.5084016024576945
Energy: 1.4898808189836306
Energy: 1.7535712973542799
Energy: 1.486922170600688
Energy: 1.753571297352708
Energy: 1.5490023574762708
Energy: 1.5930977674341344
Energy: 1.484580415225394
Energy: 1.5930977674341344
Energy: 1.6411005920496764
Energy: 1.70445756538185
Energy: 1.5376472715601475
Energy: 1.7044575653802778
Energy: 1.48418521750604
Energy: 1.6258184422954696
Energy: 1.5105530360913544
Energy: 1.6258184422970419
Energy: 1.7165326478546274
Energy: 1.6420222916574825
Energy: 1.4851207794005246
Energy: 1.6420222916590546
Energy: 1.5220657628336236
Energy: 1.592722282386141
Energy: 1.7827249595006678
Energy: 1.5927222823845688
Energy: 1.4840303118664566
Energy: 1.5572165518324796
Energy: 1.714697585434929
Energy: 1.5572165518340517
Energy: 1.6237458818623611
Energy: 1.6434774076451695
Energy: 1.4840290744660292
Energy: 1.6434774076420253
Energy: 1.4843156642722253
Energy: 1.592105244972886
Energy: 1.5383414922267808
Energy: 1.592105244972886
Energy: 1.5477682868157487
Energy: 1.7063734976210592
Energy: 1.6360953320107825
Energy: 1.7063734976210592
Energy: 1.5093052023291007
Energy: 1.6103929074995933
Energy: 1.4893663958017194
Energy: 1.6103929074618974
Energy: 1.4847287080523586
Energy: 1.6251707828205282
Energy: 1.7130071471765465
Energy: 1.6251707828189559

minimum gb energy = 1.4840290744660292 eV
minimum distance =  2.28655007905951 Angstroms
sigma value = 17


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

Energy: 1.7430076304405364
Energy: 1.7365003280539102
Energy: 1.8438533268554331
Energy: 1.7365003280521294
Energy: 1.699296890420732
Energy: 1.6510135260743173
Energy: 1.5474577491551589
Energy: 1.6510135260778789
Energy: 1.682685382538379
Energy: 1.7244723152415242
Energy: 1.5470393523150445
Energy: 1.7244723152415242
Energy: 1.549105668976173
Energy: 1.8091749234337833
Energy: 1.6447254506448803
Energy: 1.8091749234346737
Energy: 1.7408171155685164
Energy: 1.6436778376390135
Energy: 1.5877196624195509
Energy: 1.6436778376416847
Energy: 1.5718250212633944
Energy: 1.6161465995253277
Energy: 1.664673619324523
Energy: 1.6161465995200257
Energy: 1.5535486636989682
Energy: 1.7330396841280875
Energy: 1.548154437084222
Energy: 1.733039684128978
Energy: 1.6657243305489269
Energy: 1.7249640086953923
Energy: 1.5680206058562578
Energy: 1.7249640086900497
Energy: 1.570276290697431
Energy: 1.6705983973411025
Energy: 1.7343146469082749
Energy: 1.6705983973384313
Energy: 1.8204054358581923
Energy: 1.6861152520591711
Energy: 1.5477134598434124
Energy: 1.6861152520591711
Energy: 1.553420617928131
Energy: 1.7228652468519157
Energy: 1.6874370551564506
Energy: 1.7228652468501346
Energy: 1.5696568398158073
Energy: 1.7279871135536065
Energy: 1.5692139075960514
Energy: 1.727987113550935
Energy: 1.7813003893236181
Energy: 1.7239751586670082
Energy: 1.726083504501843
Energy: 1.7239751586678984
Energy: 1.5471842640063098
Energy: 1.7019191222943335
Energy: 1.7026132334474529
Energy: 1.7019191222978953
Energy: 1.6738172206313606
Energy: 1.7228552761005227
Energy: 1.5701926471745453
Energy: 1.722855276096961
Energy: 1.6821270849560137
Energy: 1.724665220543449
Energy: 1.6656459708852247
Energy: 1.7246652205470108
Energy: 1.548235239456328
Energy: 1.794164459846845
Energy: 1.8397312266451027
Energy: 1.794164459846845
Energy: 1.6831052040606318
Energy: 1.7102650017248733
Energy: 1.571622897989368
Energy: 1.710265001725764
Energy: 1.547685171310739
Energy: 1.8044570647732867
Energy: 1.6415543697255819
Energy: 1.804457064775958
Energy: 1.5478561896601037
Energy: 1.8080929623328708
Energy: 1.5495670020278278
Energy: 1.80809296233198
Energy: 1.6066232789909023
Energy: 1.721152278525109
Energy: 1.6824485388895867
Energy: 1.721152278525109
Energy: 1.5476594247379618
Energy: 1.7844625291234348
Energy: 1.81947015920078
Energy: 1.7844625291243257
Energy: 1.7084828207920064
Energy: 1.7339079422367942
Energy: 1.5469665108456578
Energy: 1.7339079422385748
Energy: 1.569203086092598
Energy: 1.722525210708195
Energy: 1.68407626452046
Energy: 1.7225252107090856
Energy: 1.5695757997817839
Energy: 1.708551305987608
Energy: 1.6825675901508836
Energy: 1.708551305987608
Energy: 1.709201588658819
Energy: 1.6728166429196216
Energy: 1.548659569575117
Energy: 1.6728166429196216
Energy: 1.5875894486073832
Energy: 1.89967456374321
Energy: 1.8719413676280618
Energy: 1.8996745637405386
Energy: 1.6644258654138457
Energy: 1.6150912519967522
Energy: 1.684126147062202
Energy: 1.6150912519958613
Energy: 1.7951596008500232
Energy: 1.80834060524767
Energy: 1.5534652115884362
Energy: 1.8083406052467796
Energy: 1.5682815208033443
Energy: 1.8041935623234675
Energy: 1.7253658079853438
Energy: 1.8041935623216867

minimum gb energy = 1.5469665108456578 eV
minimum distance =  2.19430107494848 Angstroms
sigma value = 53


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

Energy: 1.527390762148844
Energy: 1.5266642709568878
Energy: 1.7202914335976542
Energy: 1.5266642709568878
Energy: 1.7625743276338866
Energy: 1.6670091880060205
Energy: 1.5548645714608482
Energy: 1.6670091880039708
Energy: 1.5282118321615252
Energy: 1.5264323292402318
Energy: 1.7191459564624976
Energy: 1.5264323292422814
Energy: 1.5283144963929067
Energy: 1.5264710132914088
Energy: 1.5807460671890994
Energy: 1.5264710132873092
Energy: 1.762458254993185
Energy: 1.6668203222072842
Energy: 1.5271606091478527
Energy: 1.6668203222031845
Energy: 1.527390762148844
Energy: 1.526664270954838
Energy: 1.809181473213238
Energy: 1.5266642709568878
Energy: 1.7625743276338866
Energy: 1.6670091880060205
Energy: 1.5548645714587983
Energy: 1.6670091880019209
Energy: 1.5282118321615252
Energy: 1.5264323292402318
Energy: 1.719145956460448
Energy: 1.5264323292402318
Energy: 1.5283144963949564
Energy: 1.5264710132893589
Energy: 1.6216031712113308
Energy: 1.5264710132873092
Energy: 1.762458254993185
Energy: 1.6668203222072842
Energy: 1.5271606091458028
Energy: 1.6668203222011344
Energy: 1.527390762148844
Energy: 1.5266642709568878
Energy: 1.8693071651273643
Energy: 1.5266642709568878
Energy: 1.7625743276359367
Energy: 1.6670091880060205
Energy: 1.622359893663319
Energy: 1.6670091880039708
Energy: 1.5282118321615252
Energy: 1.5264323292402318
Energy: 1.719145956442046
Energy: 1.5264323292422814

minimum gb energy = 1.5264323292402318 eV
minimum distance =  2.27009130253359 Angstroms
sigma value = 9


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

Energy: 1.6532015329182592
Energy: 1.8416120591825973
Energy: 1.989321989621031
Energy: 1.8416120591917013
Energy: 1.7914961908258762
Energy: 1.7189976858712808
Energy: 1.6525715246517179
Energy: 1.7189976858750742
Energy: 1.6274508246806214
Energy: 1.6350565122748986
Energy: 1.6482636816378191
Energy: 1.6350565122779335
Energy: 1.7488488266804254
Energy: 1.9092635947788577
Energy: 1.6401860083449316
Energy: 1.9092635947780991
Energy: 1.7979767161245654
Energy: 1.7211068840665424
Energy: 1.6482577395682734
Energy: 1.721106884064266
Energy: 1.6352998360315203
Energy: 1.6347104981223146
Energy: 1.7381439003348003
Energy: 1.6347104981223146
Energy: 1.9825778925228434
Energy: 1.7155201620768306
Energy: 1.6533013506189487
Energy: 1.715520162075313
Energy: 1.641274907317498
Energy: 1.8822997340252012
Energy: 1.7765654466264658
Energy: 1.8822997340305123
Energy: 1.6308685815839385
Energy: 1.9227059680883691
Energy: 1.63450819559361
Energy: 1.9227059680876106
Energy: 1.6289154275144926
Energy: 1.7156764047457171
Energy: 1.6546894691396588
Energy: 1.7156764047472346
Energy: 1.6441965671932726
Energy: 1.9138684287757475
Energy: 1.9349545117308293
Energy: 1.9138684287734713
Energy: 1.80376335186724
Energy: 1.8403835627116432
Energy: 1.6345425021347733
Energy: 1.8403835627161953
Energy: 1.63061599334293
Energy: 1.7490677394692669
Energy: 1.876378739462811
Energy: 1.7490677394677494
Energy: 1.7569735510296136
Energy: 1.97651703292385
Energy: 1.6621998413910395
Energy: 1.976517032925367
Energy: 1.6426413969823048
Energy: 1.822021520356127
Energy: 1.7762748524507608
Energy: 1.8220215203530923
Energy: 1.6349651270228294
Energy: 1.9225651678356508
Energy: 1.744862858345983
Energy: 1.9225651678356508
Energy: 1.7229349418872735
Energy: 1.8216308357073976
Energy: 1.6460828653830315
Energy: 1.8216308357104325
Energy: 1.6487246143375203
Energy: 1.7160669281490903
Energy: 1.8542626626463508
Energy: 1.7160669281483316
Energy: 1.841196681557192
Energy: 1.7461857701290666
Energy: 1.6382971203206524
Energy: 1.7461857701252732
Energy: 1.6659098112077555
Energy: 1.7358226527233065
Energy: 1.7704293293081674
Energy: 1.7358226527225478
Energy: 1.7545582376986817
Energy: 1.9086123049396888
Energy: 1.7521779560919857
Energy: 1.9086123049358954
Energy: 1.7473400461884763
Energy: 1.793966255204107
Energy: 1.6287031588538317
Energy: 1.7939662552018307
Energy: 1.6344894350274746
Energy: 1.8215150919817218
Energy: 1.6305028451619992
Energy: 1.8215150919802046
Energy: 1.9693079321684208
Energy: 1.7414509227067383
Energy: 1.6410783204495067
Energy: 1.7414509227097732
Energy: 1.6529690607529837
Energy: 1.8397048663688977
Energy: 1.917270764047708
Energy: 1.8397048663666218
Energy: 1.6836190902647654
Energy: 1.6346669146491342
Energy: 1.6277235974288093
Energy: 1.6346669146514103
Energy: 1.7817089835978694
Energy: 1.8283200111071156
Energy: 1.7477949123791598
Energy: 1.8283200111048397
Energy: 1.6521214009642837
Energy: 1.9099076182533803
Energy: 1.748778458332019
Energy: 1.9099076182518626
Energy: 1.7033272892030273
Energy: 1.634443381605936
Energy: 1.6269659881058023
Energy: 1.634443381608212
Energy: 1.652713594277318
Energy: 1.8377617825228594
Energy: 1.9093959122068047
Energy: 1.8377617825281702
Energy: 1.8997292161625052
Energy: 1.741385273078681
Energy: 1.639945357681811
Energy: 1.7413852730748873
Energy: 1.6358287247313459
Energy: 1.7185177775972669
Energy: 1.6278870728138688
Energy: 1.7185177775957496
Energy: 1.6533073621722962
Energy: 1.8144537789930697
Energy: 1.6274264534119793
Energy: 1.8144537789945872
Energy: 1.747300012142118
Energy: 1.9096171329135543
Energy: 1.7491990267383388
Energy: 1.9096171329135543
Energy: 1.648337126480898
Energy: 1.86721064960972
Energy: 1.9827877156537501
Energy: 1.86721064960972

minimum gb energy = 1.6269659881058023 eV
minimum distance =  2.20383692786164 Angstroms
sigma value = 73


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

Energy: 1.7416648311328555
Energy: 1.7414233681317708
Energy: 1.9644616794251655
Energy: 1.741423368130567
Energy: 1.749946674881963
Energy: 1.7841699963549071
Energy: 1.6704786756683663
Energy: 1.7841699963549071
Energy: 1.6616689846760784
Energy: 1.6400569556058604
Energy: 1.6668708951500466
Energy: 1.6400569556022495
Energy: 1.629836926941977
Energy: 1.8608632899473332
Energy: 1.700744277923236
Energy: 1.8608632899473332
Energy: 1.7024613345555637
Energy: 1.779878377700229
Energy: 1.6689337316316906
Energy: 1.7798783776990252
Energy: 1.6726467423806968
Energy: 1.9089500053999486
Energy: 1.821083502976866
Energy: 1.9089500053927266
Energy: 1.9918047355090525
Energy: 1.8389757231477437
Energy: 1.6731317586868668
Energy: 1.8389757231453365
Energy: 1.6353833112256566
Energy: 1.6395845660167156
Energy: 1.9255689694116678
Energy: 1.6395845660167156
Energy: 1.9058903698005298
Energy: 1.6410423023583567
Energy: 1.6397259950986465
Energy: 1.6410423023619676
Energy: 1.662675953128943
Energy: 1.7702609651720236
Energy: 1.6862233900448493
Energy: 1.770260965174431
Energy: 1.6321542529283142
Energy: 1.6408362767832665
Energy: 1.844742691223608
Energy: 1.6408362767820632
Energy: 1.8289765414824217
Energy: 1.8602472738831421
Energy: 1.6297772616214805
Energy: 1.8602472738807347
Energy: 1.6703506119267695
Energy: 1.7519559437345757
Energy: 1.89349576519242
Energy: 1.751955943733372
Energy: 1.919500474337893
Energy: 1.8428809263102235
Energy: 1.6725176574726652
Energy: 1.842880926307816
Energy: 1.628300694684138
Energy: 1.8905294663438854
Energy: 1.8609050553955893
Energy: 1.890529466341478
Energy: 1.8430736638561374
Energy: 1.6402756884187026
Energy: 1.6355944816793477
Energy: 1.6402756884211098
Energy: 1.7476743529746595
Energy: 1.7449777008261096
Energy: 1.661950251883176
Energy: 1.7449777008273133
Energy: 1.7401869590469783
Energy: 1.8587370800179042
Energy: 1.6623237951567715
Energy: 1.8587370800239225
Energy: 1.7829023493967362
Energy: 1.6397928966469986
Energy: 1.6328842194726616
Energy: 1.6397928966482023
Energy: 1.6702050505317096
Energy: 1.7772487327439341
Energy: 1.9894103208772984
Energy: 1.7772487327415813
Energy: 1.8340608283992916
Energy: 1.653805850534115
Energy: 1.672998571247274
Energy: 1.6538058505365227
Energy: 1.700328930767588
Energy: 1.7794660044600832
Energy: 1.7278396369228561
Energy: 1.7794660044600832

minimum gb energy = 1.628300694684138 eV
minimum distance =  2.22447921443298 Angstroms
sigma value = 7


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

Energy: 1.6735516335744105
Energy: 1.6727246775963631
Energy: 1.9996418639741846
Energy: 1.6727246776150884
Energy: 1.952369973767102
Energy: 1.769730139790351
Energy: 1.676766514915553
Energy: 1.7697301397971603
Energy: 1.6456841551266865
Energy: 1.8771122267427331
Energy: 1.7006686405209122
Energy: 1.877112226729115
Energy: 1.677718372041741
Energy: 1.774761074093736
Energy: 1.6905627057599095
Energy: 1.7747610740928847
Energy: 1.6467844497807826
Energy: 1.7535866794149073
Energy: 1.697047333623415
Energy: 1.7535866794217165
Energy: 1.6497372640416779
Energy: 1.674243530634024
Energy: 1.8769980538050854
Energy: 1.6742435306144476
Energy: 1.8090536294165225
Energy: 1.844787807565301
Energy: 1.6971096763802067
Energy: 1.844787807553385
Energy: 1.6497411809544058
Energy: 1.6738795561864013
Energy: 1.9276034139255604
Energy: 1.6738795561957638
Energy: 1.8263470568960622
Energy: 1.758524499150102
Energy: 1.6696378505704186
Energy: 1.7585244991535063
Energy: 1.6690580803436834
Energy: 1.7891817732060846
Energy: 1.791295416917187
Energy: 1.7891817732180006
Energy: 1.6730593366491477
Energy: 1.882905434675037
Energy: 1.6891185344393684
Energy: 1.8829054346767393
Energy: 1.7033315911528784
Energy: 1.7539057048930982
Energy: 1.6846986386869542
Energy: 1.7539057049033122
Energy: 1.6726760046219564
Energy: 1.675408859224624
Energy: 1.6885583289571435
Energy: 1.675408859225475
Energy: 1.697422534390037
Energy: 1.6626979648963158
Energy: 1.6841418862191302
Energy: 1.6626979648937625
Energy: 1.6576373317721453
Energy: 1.8742807334981375
Energy: 1.8302567162524466
Energy: 1.874280733502393
Energy: 2.0006243161635995
Energy: 1.6618450876958242
Energy: 1.6649978138309594
Energy: 1.6618450877000799
Energy: 1.6720239022957208
Energy: 1.7709693105248894
Energy: 1.7080708112464364
Energy: 1.770969310511271
Energy: 1.688422414044877
Energy: 1.8487903401393608
Energy: 1.6845767442991029
Energy: 1.8487903401351051
Energy: 1.6449506788045676
Energy: 1.875644952996833
Energy: 1.68898628721821
Energy: 1.875644952998458
Energy: 1.6693144069567212
Energy: 1.7526506983931323
Energy: 1.6854894093937824
Energy: 1.7526506983786627
Energy: 1.6730544322793421
Energy: 1.883415579868191
Energy: 1.669645193228709
Energy: 1.8834155798630843
Energy: 1.6501984095401823
Energy: 1.8807687290786634
Energy: 1.7872157031370617
Energy: 1.880768729065896
Energy: 1.9288768516348107
Energy: 1.7899731096865017
Energy: 1.6790378962983683
Energy: 1.7899731096847995
Energy: 1.6787493025015008
Energy: 1.6739516893299706
Energy: 1.8809900524658656
Energy: 1.673951689317203
Energy: 1.7061699886006423
Energy: 1.752485299751992
Energy: 1.6772747876752887
Energy: 1.7524852997426295
Energy: 1.6778113047377727
Energy: 1.8766600153566821
Energy: 1.6852194398827116
Energy: 1.876660015340588
Energy: 1.6462161694525224
Energy: 1.7757504766497076
Energy: 1.6732056729917333
Energy: 1.775750476658219
Energy: 1.677001515151678
Energy: 1.7705093448637366
Energy: 1.6900256924366062
Energy: 1.770509344849267
Energy: 1.644957694141086
Energy: 1.6732749142070649
Energy: 1.8090923577258915
Energy: 1.6732749142189807
Energy: 2.021886105311606
Energy: 1.7006162225110641
Energy: 1.6765292911068803
Energy: 1.7006162225110641
Energy: 1.64497729565479
Energy: 1.6735563597998524
Energy: 1.9026748316299795
Energy: 1.6735563597955965

minimum gb energy = 1.6449506788045676 eV
minimum distance =  2.2148876018347 Angstroms
sigma value = 29


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

Energy: 1.6298309669394617
Energy: 1.6053089581599196
Energy: 1.601440320652782
Energy: 1.605308958160216
Energy: 1.5800252305396811
Energy: 1.6330657811328237
Energy: 1.5825355218880586
Energy: 1.6330657811302216
Energy: 1.5936568256411183
Energy: 1.701191495167767
Energy: 1.576334326325729
Energy: 1.701191495167207
Energy: 1.6295209145201188
Energy: 1.5780593308179796
Energy: 1.5843620866897086
Energy: 1.5780593308113253
Energy: 1.6306434209651715
Energy: 1.6723625025975244
Energy: 1.807436648642335
Energy: 1.6723625025992699
Energy: 1.6148373526318358
Energy: 1.7016604663239687
Energy: 1.6147967273438824
Energy: 1.7016604663251218
Energy: 1.6146126671625798
Energy: 1.6723269088147417
Energy: 1.6306368771238218
Energy: 1.672326908815598
Energy: 1.5843012348252523
Energy: 1.5776125189196497
Energy: 1.6295372175294127
Energy: 1.5776125189208028
Energy: 1.5759960324547626
Energy: 1.7011518000901156
Energy: 1.5947048559202097
Energy: 1.7011518000892263

minimum gb energy = 1.5759960324547626 eV
minimum distance =  2.28072324400045 Angstroms
sigma value = 5


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

Energy: 1.5448604195419202
Energy: 1.549237570260582
Energy: 1.7749971021831463
Energy: 1.5492375702613863
Energy: 1.7774315400405476
Energy: 1.6296409867363624
Energy: 1.5001920256791699
Energy: 1.6296409867379702
Energy: 1.508514936585463
Energy: 1.5369744947687105
Energy: 1.783296134522135
Energy: 1.5369744947671025
Energy: 1.4927774872490573
Energy: 1.6198874328373145
Energy: 1.5124870676668725
Energy: 1.6198874328373145
Energy: 1.5241452870409036
Energy: 1.626558452284402
Energy: 1.7826635031948206
Energy: 1.6265584522852063
Energy: 1.5399074205334944
Energy: 1.5521937566011577
Energy: 1.4953647301965476
Energy: 1.5521937566011577
Energy: 1.5073463871950419
Energy: 1.6255480632180443
Energy: 1.5193327902508873
Energy: 1.6255480632188481
Energy: 1.5028073924826297
Energy: 1.5527431874726525
Energy: 1.5113422040901885
Energy: 1.5527431874718485
Energy: 1.5241150468600577
Energy: 1.6256093134429515
Energy: 1.5222752357161538
Energy: 1.6256093134461675
Energy: 1.5191532978741755
Energy: 1.6266778324707534
Energy: 1.4978915968929158
Energy: 1.6266778324731654
Energy: 1.5237108308544303
Energy: 1.5528873919959072
Energy: 1.5103336471978182
Energy: 1.5528873919942994
Energy: 1.5082145095500317
Energy: 1.6324221333416986
Energy: 1.552522195624886
Energy: 1.6324221333449147
Energy: 1.539330806474542
Energy: 1.550847795383605
Energy: 1.5479171066982547
Energy: 1.5508477953860171
Energy: 1.5240464046610114
Energy: 1.5510250145643223
Energy: 1.5454419617122257
Energy: 1.5510250145643223
Energy: 1.7778680173025565
Energy: 1.6212839644255852
Energy: 1.5099508379631619
Energy: 1.6212839644247812
Energy: 1.5139221869521213
Energy: 1.5374272796660582
Energy: 1.5206156240359112
Energy: 1.5374272796652544
Energy: 1.7764837561011964
Energy: 1.6343835454649653
Energy: 1.513121499523159
Energy: 1.6343835454617492
Energy: 1.5267112516015378
Energy: 1.5502496539329549
Energy: 1.6296353741652823
Energy: 1.5502496539329549
Energy: 1.5022260069295954
Energy: 1.628908808788344
Energy: 1.4982003400876664
Energy: 1.6289088087907562
Energy: 1.5075272717717265
Energy: 1.6063009125899568
Energy: 1.5218121752200566
Energy: 1.6063009123480954
Energy: 1.4945183460395115
Energy: 1.6188611804382842
Energy: 1.5151841812368425
Energy: 1.6188611804350683
Energy: 1.525615092436291
Energy: 1.6260198182920644
Energy: 1.5299238186067126
Energy: 1.6260198182912602
Energy: 1.4956770747734793
Energy: 1.5523259200941304
Energy: 1.4935229264088545
Energy: 1.5523259200909143
Energy: 1.5487682051120142
Energy: 1.5627883748021107
Energy: 1.508372091254878
Energy: 1.562788374800503
Energy: 1.5588064314639023
Energy: 1.5457631620048689
Energy: 1.514459885194524
Energy: 1.545763162008085
Energy: 1.541117791851889
Energy: 1.550661216434031
Energy: 1.523881128452751
Energy: 1.550661216434031
Energy: 1.503828611538434
Energy: 1.6083607678995766
Energy: 1.5709167444664538
Energy: 1.6083607679027925
Energy: 1.5545120433444457
Energy: 1.6265048566545564
Energy: 1.5141807762786612
Energy: 1.626504856653752
Energy: 1.5088062057436333
Energy: 1.62814321769723
Energy: 2.015702653796589
Energy: 1.628143217698838
Energy: 1.6739332771250994
Energy: 1.5496394479667737
Energy: 1.5264146602059507
Energy: 1.5496394479643618
Energy: 1.5057151266130668
Energy: 1.5222849980246895
Energy: 1.672618785528666
Energy: 1.5222849980271016
Energy: 1.7771195151975672
Energy: 1.5794193074198535
Energy: 1.5084359029172592
Energy: 1.5794193074198535
Energy: 1.515434429691893
Energy: 1.619767536812398
Energy: 1.491856008450768
Energy: 1.619767536811594

minimum gb energy = 1.491856008450768 eV
minimum distance =  2.21735873941804 Angstroms
sigma value = 1


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

Energy: 1.477045918192948
Energy: 1.4761859543490548
Energy: 1.4808993658621092
Energy: 1.476185954351278
Energy: 1.4814736719917474
Energy: 1.5009691721354685
Energy: 1.4362489216359573
Energy: 1.500969172133245
Energy: 1.4175231033878013
Energy: 1.4769312030251514
Energy: 1.9777939759184135
Energy: 1.4769312030229278
Energy: 1.4450341007588283
Energy: 1.5728397379714647
Energy: 1.438432545342512
Energy: 1.572839737973688
Energy: 1.4167139829787978
Energy: 1.6108721351575133
Energy: 1.7590334835102206
Energy: 1.6108721351564017
Energy: 1.415556331603411
Energy: 1.4812953674936844
Energy: 1.4382173181881799
Energy: 1.4812953674903495
Energy: 1.4166820845042798
Energy: 1.6105576622082656
Energy: 1.45334100421379
Energy: 1.6105576622027071
Energy: 1.4169704464548445
Energy: 1.4815578624175088
Energy: 1.4568231538742733
Energy: 1.4815578624264025
Energy: 1.475969897220201
Energy: 1.484822716321301
Energy: 1.4537632081436311
Energy: 1.484822716321301
Energy: 1.4758068562330062
Energy: 1.4847697054143882
Energy: 1.4789157630217444
Energy: 1.484769705418835
Energy: 1.4169331345228875
Energy: 1.4814714667375897
Energy: 1.4536114037799177
Energy: 1.4814714667464828
Energy: 1.41674098291592
Energy: 1.6104592906796964
Energy: 1.4608820612418483
Energy: 1.6104592906908133
Energy: 1.4156705509290952
Energy: 1.4811406149566861
Energy: 1.4382063012727773
Energy: 1.4811406149566861
Energy: 1.4167330050498863
Energy: 1.6108174455724928
Energy: 1.6591624461201684
Energy: 1.6108174455724928
Energy: 1.4457112410990325
Energy: 1.5728169900927504
Energy: 1.437871631891484
Energy: 1.5728169900883038
Energy: 1.4175237850435012
Energy: 1.4770524490530974
Energy: 1.527340980016902
Energy: 1.4770524490553205
Energy: 1.4817573054653024
Energy: 1.5009065932559367
Energy: 1.4361574774652988
Energy: 1.5009065932570482
Energy: 1.4770459181940598
Energy: 1.476185954347943
Energy: 1.499523602821912
Energy: 1.476185954351278
Energy: 1.4814736719917474
Energy: 1.5009691721354685
Energy: 1.4362489216359573
Energy: 1.5009691721343568
Energy: 1.4175231033878013
Energy: 1.476931203026263
Energy: 1.9777939759173018
Energy: 1.4769312030240394
Energy: 1.4450341007610517
Energy: 1.5728397379714647
Energy: 1.438432545342512
Energy: 1.572839737973688
Energy: 1.416713982977686
Energy: 1.6108721351575133
Energy: 1.7590334835079975
Energy: 1.6108721351564017
Energy: 1.415556331603411
Energy: 1.4812953674936844
Energy: 1.4382173181892914
Energy: 1.4812953674903495
Energy: 1.416682084503168
Energy: 1.6105576622082656
Energy: 1.4533410042115662
Energy: 1.6105576622015954

minimum gb energy = 1.415556331603411 eV
minimum distance =  2.23765968931331 Angstroms
sigma value = 17


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

Energy: 1.454000893515267
Energy: 1.4539718785352096
Energy: 1.7615224925037976
Energy: 1.4539718785365838
Energy: 1.6896718621682498
Energy: 1.4428499880920354
Energy: 1.4177180583359026
Energy: 1.4428499880934096
Energy: 1.4180289524037628
Energy: 1.4351324556259932
Energy: 1.7608300691486614
Energy: 1.435132455625306
Energy: 1.4540041510887698
Energy: 1.4105277523008837
Energy: 1.4135084379386345
Energy: 1.410527752298822
Energy: 1.4066344280090946
Energy: 1.5399607237406086
Energy: 1.6616417008132074
Energy: 1.539960723739234
Energy: 1.3959628658625571
Energy: 1.4299334279212346
Energy: 1.4359299606810907
Energy: 1.4299334279212346
Energy: 1.4268162453052515
Energy: 1.5173639467529165
Energy: 1.437847061613321
Energy: 1.5173639467529165
Energy: 1.3998083942270996
Energy: 1.7259004083990592
Energy: 1.4108580490776066
Energy: 1.7259004084024947
Energy: 1.4487148823399278
Energy: 1.7353383579368817
Energy: 1.4281617945819063
Energy: 1.735338357938943
Energy: 1.4530539046600794
Energy: 1.5123026107841802
Energy: 1.420776409322183
Energy: 1.512302610783493
Energy: 1.417742563569566
Energy: 1.7050655115431317
Energy: 1.4117848224800005
Energy: 1.7050655115465672
Energy: 1.4218919053659826
Energy: 1.515018905936007
Energy: 1.4052940172771633
Energy: 1.515018905936007
Energy: 1.394550242637098
Energy: 1.7211718376034268
Energy: 1.4263289509750008
Energy: 1.7211718375999914
Energy: 1.405718165511736
Energy: 1.538944922521213
Energy: 1.452418993533963
Energy: 1.538944922521213
Energy: 1.399336532861214
Energy: 1.707106648979269
Energy: 1.464713660739235
Energy: 1.707106648979956
Energy: 1.417568840527777
Energy: 1.4369788209843715
Energy: 1.6638860910570359
Energy: 1.4369788209843715
Energy: 1.4548868752469144
Energy: 1.702389246501106
Energy: 1.425899992033669
Energy: 1.7023892465004187
Energy: 1.409390367418188
Energy: 1.453920673722848
Energy: 1.4143528326500763
Energy: 1.4539206737187254
Energy: 1.6781350936477253
Energy: 1.5180161144607327
Energy: 1.4187813269128124
Energy: 1.51801611446142
Energy: 1.4307909559660215
Energy: 1.4359176531614368
Energy: 1.4656856646700755
Energy: 1.4359176531669335
Energy: 1.6435865944724082
Energy: 1.430487210690157
Energy: 1.410683573965997
Energy: 1.4304872106894695
Energy: 1.4101916239825802
Energy: 1.5145548566944709
Energy: 1.664256480799357
Energy: 1.514554856688974
Energy: 1.6188660196566012
Energy: 1.4267946995787553
Energy: 1.4324851215577221
Energy: 1.4267946995739458
Energy: 1.4169476315166616
Energy: 1.5188396021343404
Energy: 1.6429637729253235
Energy: 1.5188396021384631
Energy: 1.4277717023433727
Energy: 1.454787907647505
Energy: 1.4112846267961696
Energy: 1.4547879076461305
Energy: 1.4083471818634534
Energy: 1.5433232224978777
Energy: 1.4685972669821892
Energy: 1.5433232224978777
Energy: 1.6448861726257202
Energy: 1.5056549975064328
Energy: 1.4193609874503852
Energy: 1.5056549975036844
Energy: 1.4699002150610028
Energy: 1.7091930572528813
Energy: 1.3984281589538905
Energy: 1.7091930572535683
Energy: 1.4526000568381612
Energy: 1.5383182786664629
Energy: 1.4078677440385594
Energy: 1.5383182786630276
Energy: 1.4085564730315943
Energy: 1.7243894766388022
Energy: 1.4676174291722772
Energy: 1.7243894766381151
Energy: 1.4210463933316944
Energy: 1.5389785454993048
Energy: 1.4204544751449546
Energy: 1.5389785455006788
Energy: 1.3980454913066336
Energy: 1.7031410466866124
Energy: 1.4134652762247135
Energy: 1.7031410466893608
Energy: 1.4193671579433118
Energy: 1.5167646254003733
Energy: 1.6677109726872177
Energy: 1.5167646254010603
Energy: 1.445946075635489
Energy: 1.7318504399964678
Energy: 1.4336269644329036
Energy: 1.7318504400012775
Energy: 1.412577077711324
Energy: 1.4549233778624377
Energy: 1.4479055552149551
Energy: 1.4549233778583779
Energy: 1.4728838901169694
Energy: 1.5193676769925974
Energy: 1.425385761308788
Energy: 1.5193676769946587
Energy: 1.4326701474317165
Energy: 1.4300765302595932
Energy: 1.397192516824572
Energy: 1.430076530256158
Energy: 1.4599780884791902
Energy: 1.5421893426881201
Energy: 1.409569333465595
Energy: 1.5421893426881201

minimum gb energy = 1.394550242637098 eV
minimum distance =  2.22865639224235 Angstroms
sigma value = 89


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

Energy: 1.286465613759338
Energy: 1.2859857808234134
Energy: 1.8371816527656775
Energy: 1.285985780825211
Energy: 1.3007380653332032
Energy: 1.3312465275910643
Energy: 1.303671217591475
Energy: 1.3312465275928622
Energy: 1.301177593883895
Energy: 1.5166423553583392
Energy: 2.1643499715924115
Energy: 1.5166423553583392
Energy: 1.2746744112068307
Energy: 1.3313983354430796
Energy: 1.3040157068905547
Energy: 1.3313983354412817
Energy: 1.3005824427684443
Energy: 1.4134878173184249
Energy: 1.290508036282005
Energy: 1.4134878173184249
Energy: 1.3001890055051608
Energy: 1.2877854316215376
Energy: 1.2931247795734941
Energy: 1.2877854316215376
Energy: 1.3016118355819268
Energy: 1.5165516420069176
Energy: 1.2860642233669026
Energy: 1.5165516420069176
Energy: 1.2859443882357864
Energy: 1.5158595802132067
Energy: 1.3040460804636662
Energy: 1.515859580211409
Energy: 1.3006378878824458
Energy: 1.4135731083195802
Energy: 1.2767969600852611
Energy: 1.4135731083177827
Energy: 1.3309940379798932
Energy: 1.4089507480766152
Energy: 1.2870655388185033
Energy: 1.4089507480748176
Energy: 1.285565997356231
Energy: 1.3322448143581684
Energy: 1.3003752711879328
Energy: 1.3322448143581684
Energy: 1.285648202281271
Energy: 1.517435706487533
Energy: 1.3039128651113694
Energy: 1.5174357064857351
Energy: 1.300792992188466
Energy: 1.2905602785796797
Energy: 1.2769126219442415
Energy: 1.2905602785796797
Energy: 1.2874677311752238
Energy: 1.4096688209341914
Energy: 1.2874449946271667
Energy: 1.4096688209341914
Energy: 1.276676674501413
Energy: 1.2905959605176853
Energy: 1.3010270594585167
Energy: 1.290595960519483

minimum gb energy = 1.2746744112068307 eV
minimum distance =  2.25305293818434 Angstroms
sigma value = 13


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

Energy: 1.2591779838149975
Energy: 1.2138723420327544
Energy: 1.377848613211167
Energy: 1.213872342036522
Energy: 1.2881923997174254
Energy: 1.2447757875585093
Energy: 1.2041357601336036
Energy: 1.2447757875637842
Energy: 1.2158578732063932
Energy: 1.2146949702943346
Energy: 1.8072623703144766
Energy: 1.2146949702739893
Energy: 1.2299204002896746
Energy: 1.2450538854871722
Energy: 1.1978524949424243
Energy: 1.2450538854932005
Energy: 1.227476192686205
Energy: 1.3061576028826307
Energy: 1.2615680643839515
Energy: 1.3061576028871515
Energy: 1.1947353617930732
Energy: 1.2460469732487793
Energy: 1.229133991891358
Energy: 1.2460469732367228
Energy: 1.2218577864007276
Energy: 1.309477395930282
Energy: 1.5014396137224293
Energy: 1.3094773959385706
Energy: 1.1989243280645956
Energy: 1.2456857409185575
Energy: 1.2294209316786937
Energy: 1.2456857409178037
Energy: 1.2277717952243534
Energy: 1.3095749968827983
Energy: 1.4427451406976861
Energy: 1.3095749968677273
Energy: 1.462756363078488
Energy: 1.333461126986629
Energy: 1.1978638610690602
Energy: 1.3334611269595014
Energy: 1.222152661227368
Energy: 1.3344756476353241
Energy: 1.2052526047144339
Energy: 1.3344756476511483
Energy: 1.6652599697565944
Energy: 1.3336209966710697
Energy: 1.2051695142528347
Energy: 1.3336209966718233
Energy: 1.2718555272466086
Energy: 1.2353791459897188
Energy: 1.2079140428140238
Energy: 1.2353791459987613
Energy: 1.7067529754262347
Energy: 1.3337103015650709
Energy: 1.1952211754134578
Energy: 1.3337103015523293
Energy: 1.2279874137774067
Energy: 1.2145107582225854
Energy: 1.2065151509639294
Energy: 1.2145107582075145
Energy: 1.2316954681121974
Energy: 1.3341030990366165
Energy: 1.208479427225367
Energy: 1.3341030990433982
Energy: 1.2401711721121056
Energy: 1.2128987995219433
Energy: 1.2007945502718893
Energy: 1.2128987995234504
Energy: 1.2197920258831854
Energy: 1.305642737833787
Energy: 1.2412545824433605
Energy: 1.3056427378307727
Energy: 1.2200117915280997
Energy: 1.3068745309425893
Energy: 1.2415343676096842
Energy: 1.306874530943343
Energy: 1.2197678152516371
Energy: 1.3071911056316983
Energy: 1.2411664235263595
Energy: 1.3071911056249166
Energy: 1.219708361179205
Energy: 1.3057983644965772
Energy: 1.2412493153855475
Energy: 1.3057983644762314
Energy: 1.2320491332696926
Energy: 1.212820051398374
Energy: 1.2000817543675755
Energy: 1.2128200513953598
Energy: 1.2442655942984058
Energy: 1.3339008707661641
Energy: 1.2084822712905798
Energy: 1.3339008707699318
Energy: 1.2280215572956679
Energy: 1.2143899413706896
Energy: 1.2018150159196452
Energy: 1.214389941368429
Energy: 1.7070028494886502
Energy: 1.333761317413287
Energy: 1.1949427085268938
Energy: 1.3337613174208225
Energy: 1.2718688981192603
Energy: 1.2355567231527738
Energy: 1.2292756972395675
Energy: 1.2355567231663374
Energy: 1.6656511081826662
Energy: 1.3334661448490475
Energy: 1.2053520177676549
Energy: 1.3334661448528153
Energy: 1.2218934984087426
Energy: 1.3348771020588241
Energy: 1.2299612665194153
Energy: 1.3348771020708121
Energy: 1.4627105140455436
Energy: 1.3335776821803926
Energy: 1.197842622085
Energy: 1.333577682179639
Energy: 1.2276664094929735
Energy: 1.3095054997734363
Energy: 1.668641377654111
Energy: 1.30950549977419
Energy: 1.1989169772289854
Energy: 1.2456867765246917
Energy: 1.2290793762985812
Energy: 1.2456867765269524
Energy: 1.2223881346543146
Energy: 1.3094187933721104
Energy: 1.7114472164518268
Energy: 1.309418793372864
Energy: 1.1949300236899565
Energy: 1.2458521758030499
Energy: 1.2291523276515912
Energy: 1.2458521758083245
Energy: 1.2274609188248207
Energy: 1.3064589014161168
Energy: 1.2752314245561267
Energy: 1.306458901431941
Energy: 1.2299440942969577
Energy: 1.2451047910277515
Energy: 1.1978558797998733
Energy: 1.2451047910345334

minimum gb energy = 1.1947353617930732 eV
minimum distance =  2.26685790926087 Angstroms
sigma value = 37


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

Energy: 1.1492020099682352
Energy: 1.1478629271053362
Energy: 1.366999382956511
Energy: 1.1478629271040397
Energy: 1.2081501832795518
Energy: 1.1476091950898646
Energy: 1.091836248405293
Energy: 1.147609195091161
Energy: 1.111931141865791
Energy: 1.3001024213530548
Energy: 1.8985428911422444
Energy: 1.3001024213543515
Energy: 1.090237477953054
Energy: 1.1479040316312135
Energy: 1.0914210734659948
Energy: 1.1479040316299172
Energy: 1.0902785510104016
Energy: 1.1474659676342676
Energy: 1.082460372035231
Energy: 1.1474659676355639
Energy: 1.0741781419015455
Energy: 1.1476059287434466
Energy: 1.0856260238962556
Energy: 1.147605928744743
Energy: 1.1275591623784627
Energy: 1.2041398276457322
Energy: 1.4973340948145308
Energy: 1.2041398276457322
Energy: 1.0896010314692615
Energy: 1.1489191962020413
Energy: 1.1522667537626758
Energy: 1.1489191962007448
Energy: 1.0902074980731433
Energy: 1.1475883772137743
Energy: 1.4976223947262877
Energy: 1.147588377212478
Energy: 1.5213956719286779
Energy: 1.2810005659972512
Energy: 1.0857589747062386
Energy: 1.2810005659946584
Energy: 1.1274699584404098
Energy: 1.2039923222288564
Energy: 1.083253738328008
Energy: 1.2039923222288564
Energy: 1.5526810999215652
Energy: 1.148000134393935
Energy: 1.0914912523782558
Energy: 1.1480001343926387
Energy: 1.0820429057215597
Energy: 1.1476387055505446
Energy: 1.07456561028276
Energy: 1.147638705549248
Energy: 1.4977611226477119
Energy: 1.2042606958768836
Energy: 1.0898759697243607
Energy: 1.20426069587818
Energy: 1.1475011449849486
Energy: 1.2050135850276233
Energy: 1.0897729451290874
Energy: 1.2050135850263268
Energy: 1.1476054881881008
Energy: 1.1483045960475216
Energy: 1.0916348529879438
Energy: 1.1483045960475216
Energy: 1.0820522610732939
Energy: 1.282594669173478
Energy: 1.0744058459421069
Energy: 1.282594669173478
Energy: 1.0821091249537196
Energy: 1.2052644942234692
Energy: 1.0898692717959493
Energy: 1.205264494226062
Energy: 1.0917702387503123
Energy: 1.1501423188353799
Energy: 1.0897957590531024
Energy: 1.1501423188366764
Energy: 1.0844292083906977
Energy: 1.1486894234213056
Energy: 1.0821936071030773
Energy: 1.1486894234213056

minimum gb energy = 1.0741781419015455 eV
minimum distance =  2.27353138569172 Angstroms
sigma value = 25


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

Energy: 1.0493521052976884
Energy: 0.9887218764297461
Energy: 1.2203248722566111
Energy: 0.9887218764317708
Energy: 1.34501807339447
Energy: 1.0143428403956292
Energy: 0.9934958726272766
Energy: 1.0143428403966415
Energy: 0.9849299169178043
Energy: 0.9846221539885777
Energy: 1.3248991949302327
Energy: 0.984622153986553
Energy: 1.0391902030893092
Energy: 1.0135207319181707
Energy: 0.9899823629633935
Energy: 1.0135207319232322
Energy: 0.9919491292634024
Energy: 1.0149033197829231
Energy: 0.9551003235862614
Energy: 1.0149033197819106
Energy: 0.9566811305230671
Energy: 1.0147835416767879
Energy: 0.993202768842261
Energy: 1.0147835416757758
Energy: 0.9925658900620483
Energy: 0.9849353231155233
Energy: 1.0405758229476905
Energy: 0.9849353231124863
Energy: 0.9472858461625442
Energy: 1.0486214194522057
Energy: 0.9868233726919554
Energy: 1.0486214194522057
Energy: 0.9920059527472731
Energy: 1.0149114534949217
Energy: 1.5390097619306704
Energy: 1.0149114534949217
Energy: 0.9573974612665405
Energy: 0.9849203280100323
Energy: 1.0513890432833648
Energy: 0.9849203280626739
Energy: 0.9924976479927033
Energy: 0.9846620197864058
Energy: 1.6176186803322072
Energy: 0.9846620197853932
Energy: 1.296698879083363
Energy: 1.1622120024944542
Energy: 0.9866639985169278
Energy: 1.1622120024944542
Energy: 0.9922900910117487
Energy: 1.0149041017193852
Energy: 1.2804524237883457
Energy: 1.0149041017214098
Energy: 1.3237272122478334
Energy: 1.094244443368864
Energy: 0.9900717069031234
Energy: 1.0942444433678518
Energy: 0.9925125420951433
Energy: 0.9847335150388449
Energy: 0.9558634337862635
Energy: 0.9847335150388449
Energy: 1.322527788371682
Energy: 1.1622214540227112
Energy: 0.9910212176443518
Energy: 1.1622214540176494
Energy: 0.99225034387851
Energy: 1.0483387174146181
Energy: 0.9474876262452218
Energy: 1.0483387174156302
Energy: 1.31452401138581
Energy: 1.0139589631943342
Energy: 0.9899892591760465
Energy: 1.0139589631923094
Energy: 1.0562654002581382
Energy: 0.9845257082531222
Energy: 0.9563999485252636
Energy: 0.9845257082531222
Energy: 1.6152875724442997
Energy: 1.1565355685185283
Energy: 0.9906353011964639
Energy: 1.1565355685225776
Energy: 0.9921475391862917
Energy: 1.1555556406865637
Energy: 0.9477414158512155
Energy: 1.1555556406875758
Energy: 0.9845702262211254
Energy: 1.014989225267276
Energy: 0.990319751177808
Energy: 1.014989225267276
Energy: 0.9929343930586341
Energy: 1.0915075762466666
Energy: 1.333006243502067
Energy: 1.091507576247679
Energy: 0.9507748937347318
Energy: 1.1576384866104452
Energy: 0.9906259487344645
Energy: 1.1576384866114575
Energy: 0.9902378658734289
Energy: 1.1552884285604894
Energy: 1.3248105987041194
Energy: 1.1552884285615015
Energy: 0.9575275597244953
Energy: 1.0485552463618746
Energy: 0.9845122513286649
Energy: 1.0485552463608623

minimum gb energy = 0.9472858461625442 eV
minimum distance =  2.2752576246819 Angstroms
sigma value = 41


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

Energy: 1.410740302769333
Energy: 0.914868709512915
Energy: 1.1107981632995372
Energy: 0.9148687095154047
Energy: 1.4387309686157075
Energy: 0.8930780417313383
Energy: 0.8805136072263939
Energy: 0.8930780417321682
Energy: 0.9127462103632873
Energy: 0.8774550964995126
Energy: 1.1670524254073962
Energy: 0.8774550964995126
Energy: 1.3972436125703154
Energy: 0.8936688932522078
Energy: 0.8804934946003328
Energy: 0.8936688932455682
Energy: 0.8752375048199029
Energy: 1.1821922838434098
Energy: 0.8670777084515684
Energy: 1.1821922838409202
Energy: 1.1357767517098838
Energy: 0.8941844248021521
Energy: 0.8804272595165001
Energy: 0.8941844248104517
Energy: 0.8794144467932867
Energy: 0.8934389025204142
Energy: 0.9243489356143916
Energy: 0.8934389025262242
Energy: 0.8602499012413698
Energy: 0.9132850652276642
Energy: 0.8763856792484981
Energy: 0.9132850652260042
Energy: 0.8835320225569601
Energy: 1.273285134174996
Energy: 1.179038242128196
Energy: 1.2732851341733362
Energy: 0.8612291472389717
Energy: 0.878086836075716
Energy: 0.9136888354309571
Energy: 0.8780868360765459
Energy: 0.8793686185895125
Energy: 0.8935222435287056
Energy: 1.6269323712246802
Energy: 0.8935222435253857
Energy: 0.8600439705299446
Energy: 0.9149733426669258
Energy: 1.411336186368345
Energy: 0.9149733426677558
Energy: 0.8833708317741877
Energy: 1.2730617481210165
Energy: 1.6256966746926302
Energy: 1.2730617481235063
Energy: 1.1384575860039365
Energy: 0.9158591618531681
Energy: 0.9138825942838577
Energy: 0.9158591618506781
Energy: 0.8794176399118341
Energy: 0.8932866783216604
Energy: 1.4198615263994019
Energy: 0.8932866783216604
Energy: 1.1637500611646652
Energy: 0.9149048477258421
Energy: 0.8763447709488512
Energy: 0.9149048477341417
Energy: 0.8834957247119667
Energy: 0.9169428773977631
Energy: 1.1359150993182967
Energy: 0.9169428773985931
Energy: 1.167509446728516
Energy: 0.9161317567871478
Energy: 0.8806460822935794
Energy: 0.9161317567854879
Energy: 0.8795347980357606
Energy: 0.9132527306236664
Energy: 0.8611740359805964
Energy: 0.9132527306220064
Energy: 1.1838810410415697
Energy: 0.9151086264102783
Energy: 0.8828432974849891
Energy: 0.9151086264077886
Energy: 0.9167289349959139
Energy: 0.9165964058148234
Energy: 0.8543264007189579
Energy: 0.9165964058090138
Energy: 1.6228260382119284
Energy: 1.6163917838228605
Energy: 0.8806853579059425
Energy: 1.6163917838261805
Energy: 1.4131276810208906
Energy: 0.9126286688157111
Energy: 0.860382407673497
Energy: 0.9126286688165411
Energy: 1.4456720584893723
Energy: 1.2725374345929632
Energy: 0.8877539457928645
Energy: 1.2725374345946234
Energy: 0.9170094700727768
Energy: 0.9163530274570595
Energy: 0.861341595854897
Energy: 0.9163530274620392
Energy: 1.41439229424792
Energy: 1.6141979333232161
Energy: 0.8805012918744847
Energy: 1.6141979333248762
Energy: 0.8796687094904195
Energy: 0.9131988906871404
Energy: 1.1641928866515325
Energy: 0.9131988906846505
Energy: 0.87572691509086
Energy: 1.2683627859332565
Energy: 0.8833069193198928
Energy: 1.2683627859315967
Energy: 0.8836152515023749
Energy: 0.9157741063156046
Energy: 1.1677474139755484
Energy: 0.915774106328054
Energy: 0.8563134728754775
Energy: 1.3198646137621677
Energy: 0.8844305626214919
Energy: 1.3198646137646577
Energy: 0.886682341991718
Energy: 0.9136296407390085
Energy: 1.1890210995173371
Energy: 0.9136296407423282
Energy: 0.860164195911859
Energy: 1.2691105852223388
Energy: 0.9215522654508022
Energy: 1.2691105852223388

minimum gb energy = 0.8543264007189579 eV
minimum distance =  2.23118652672668 Angstroms
sigma value = 15


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

Energy: 1.2708104686914787
Energy: 0.8246537278257318
Energy: 1.4979066115592927
Energy: 0.824653727820107
Energy: 1.6310552942673893
Energy: 0.8206536096573689
Energy: 0.8222817329605878
Energy: 0.820653609658775
Energy: 0.8532807304196462
Energy: 0.8203427025457534
Energy: 1.6503733717339275
Energy: 0.8203427025457534
Energy: 1.4524401065753139
Energy: 0.8219796454185723
Energy: 0.8223774359329078
Energy: 0.8219796453981827
Energy: 0.8188648412893134
Energy: 0.9007147452102321
Energy: 0.7985752876598402
Energy: 0.9007147452144506
Energy: 1.2442201511179651
Energy: 0.8203523826555157
Energy: 0.8222616261889856
Energy: 0.820352382657625
Energy: 0.821477507194584
Energy: 1.0466113138687785
Energy: 0.8387992752867272
Energy: 1.046611313870888
Energy: 1.0212312060776771
Energy: 0.8366616071023273
Energy: 0.8221939164674333
Energy: 0.8366616071023273
Energy: 0.8240798150892822
Energy: 0.8385235754202466
Energy: 1.059546107130362
Energy: 0.8385235754223558
Energy: 0.7871772022689695
Energy: 0.8195250566541178
Energy: 0.8194814832326108
Energy: 0.8195250566562271
Energy: 0.8216627693401306
Energy: 0.8212664976431441
Energy: 1.512661125490483
Energy: 0.821266497641738
Energy: 0.7877333920435988
Energy: 0.8205227576477733
Energy: 0.8537371985581982
Energy: 0.8205227576477733
Energy: 0.8239623544604108
Energy: 0.8394764789775232
Energy: 1.6294924889832705
Energy: 0.8394764789796325
Energy: 0.7871325721050036
Energy: 0.8249936722236706
Energy: 1.2711060445940927
Energy: 0.8249936722229675
Energy: 0.8215346367358117
Energy: 0.820619052086504
Energy: 1.6257286947789091
Energy: 0.8206190520850979
Energy: 1.0438403087711237
Energy: 0.8205200395117618
Energy: 0.8536706266554651
Energy: 0.820520039513168
Energy: 0.8241730386042879
Energy: 0.8399403436390902
Energy: 1.4469998197839515
Energy: 0.839940343636981
Energy: 1.0451727360057408
Energy: 0.8968033971184817
Energy: 0.8194752040748282
Energy: 0.8968033971184817
Energy: 0.8214960016733985
Energy: 0.8297921938745972
Energy: 1.2719523150975698
Energy: 0.8297921938767066
Energy: 1.048614455153955
Energy: 0.8219060915565024
Energy: 0.8220861719606014
Energy: 0.8219060915586117
Energy: 0.8239029267793526
Energy: 0.8629874939031486
Energy: 1.0180795190874181
Energy: 0.8629874939045549
Energy: 1.060946594622127
Energy: 0.8371261457747763
Energy: 0.8271296444630011
Energy: 0.8371261457747763
Energy: 0.8214429593851963
Energy: 0.8192830030072181
Energy: 0.7872476777248
Energy: 0.819283003005812
Energy: 1.5099382663830045
Energy: 0.8219801562913244
Energy: 0.8222335722556818
Energy: 0.8219801562842936
Energy: 0.855689339642754
Energy: 0.853727673049228
Energy: 0.7879665483994808
Energy: 0.8537276730464157
Energy: 1.4650594096960106
Energy: 0.8374822261158951
Energy: 0.8274107514333385
Energy: 0.8374822261123795
Energy: 1.2725067233800909
Energy: 0.8209263375444348
Energy: 0.7870172777351925
Energy: 0.820926337555684
Energy: 1.624565469055655
Energy: 0.8226832739403371
Energy: 0.822158085582533
Energy: 0.8226832739438525
Energy: 0.8556895792329726
Energy: 0.9292841703820262
Energy: 0.788062241675583
Energy: 0.9292841703756983
Energy: 1.2849168614085151
Energy: 0.8394044402221615
Energy: 0.8271927661309538
Energy: 0.8394044402221615
Energy: 0.8215401705636107
Energy: 0.8977199078719614
Energy: 1.0448334976308395
Energy: 0.8977199078698522
Energy: 1.269137342969298
Energy: 0.8192063994136997
Energy: 0.8221117014800804
Energy: 0.8192063994115903
Energy: 0.8241756859335571
Energy: 0.9295261336287924
Energy: 1.0617346430371792
Energy: 0.929526133632308
Energy: 0.7964329121499246
Energy: 0.8619677704462929
Energy: 0.8272735224754171
Energy: 0.8619677704420744
Energy: 0.8135319678094665
Energy: 0.896581736182922
Energy: 1.0614817443769722
Energy: 0.8965817361850312
Energy: 0.7839266379263865
Energy: 0.8295366959061993
Energy: 0.8247412191397631
Energy: 0.8295366959054963
Energy: 0.8241264132972633
Energy: 0.9299816053666158
Energy: 1.5073620260842766
Energy: 0.929981605367319

minimum gb energy = 0.7839266379263865 eV
minimum distance =  2.26978296360454 Angstroms
sigma value = 85


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

Energy: 1.185910537831912
Energy: 0.8018263081399001
Energy: 1.1669225868099533
Energy: 0.8018263081386805
Energy: 1.596664739013868
Energy: 0.7963383037576535
Energy: 0.7526512667728593
Energy: 0.7963383037576535
Energy: 1.1412066106665293
Energy: 0.7958916723924836
Energy: 1.5468600432086996
Energy: 0.7958916723900444
Energy: 1.4326901474183722
Energy: 0.7962567149185527
Energy: 0.7527116267928881
Energy: 0.7962567149179429
Energy: 0.7944644228259686
Energy: 0.7506055939858203
Energy: 0.7015568511328637
Energy: 0.7506055939858203
Energy: 1.2750171193649706
Energy: 0.7963875761392076
Energy: 0.7527762235676615
Energy: 0.7963875761416469
Energy: 0.7494123875304167
Energy: 0.8221272439074033
Energy: 0.791852541450123
Energy: 0.8221272439055739
Energy: 1.1173115248473364
Energy: 0.7946969597932475
Energy: 0.7528108680783654
Energy: 0.7946969597926379
Energy: 0.7518584742501412
Energy: 0.7717928965015897
Energy: 0.9763256205039856
Energy: 0.7717928965009799
Energy: 0.9105132717763676
Energy: 0.8219087807910134
Energy: 0.7500285401819987
Energy: 0.8219087807910134
Energy: 0.7544025911056153
Energy: 0.7959816770142178
Energy: 1.3386083786118448
Energy: 0.7959816770160472
Energy: 0.7018723790980013
Energy: 0.7946211696499301
Energy: 0.7951806998266125
Energy: 0.7946211696535889
Energy: 0.7521834009311043
Energy: 0.7707709288409993
Energy: 1.4872704969504795
Energy: 0.7707709288440482
Energy: 0.702205852286482
Energy: 0.7960295953493245
Energy: 1.1418583558963133
Energy: 0.7960295953493245
Energy: 0.754493895262692
Energy: 0.7962440147223254
Energy: 1.5963444812088152
Energy: 0.7962440147308625
Energy: 0.7020465199582039
Energy: 0.8017498474806132
Energy: 1.1864437936410195
Energy: 0.8017498474800034
Energy: 0.7521281193565954
Energy: 0.7708173967489875
Energy: 1.5962236500931655
Energy: 0.7708173967483776
Energy: 0.9093112606848669
Energy: 0.796013822616322
Energy: 1.1417409814140487
Energy: 0.7960138226151025
Energy: 0.7534385665067967
Energy: 0.7962159645459037
Energy: 1.4325463567969292
Energy: 0.7962159645544407
Energy: 0.9267817568233778
Energy: 0.8016549581555749
Energy: 0.7951870032725006
Energy: 0.8016549581458183
Energy: 0.752029019426346
Energy: 0.7707810612518863
Energy: 1.2649639760792548
Energy: 0.7707810612512765
Energy: 0.9295915578394791
Energy: 0.7961920879007308
Energy: 0.7500827347364614
Energy: 0.7961920879007308
Energy: 0.754405867627457
Energy: 0.7943955160012331
Energy: 1.1175801273840489
Energy: 0.7943955160006233
Energy: 0.9465218144718516
Energy: 0.8254238939910237
Energy: 0.7526237252566769
Energy: 0.8254238939916334
Energy: 0.7518872311723247
Energy: 0.7944130457595252
Energy: 0.909954963161785
Energy: 0.7944130457607447
Energy: 1.338243082457828
Energy: 0.7960969745849402
Energy: 0.7537631074997669
Energy: 0.7960969745861599
Energy: 0.797286042047498
Energy: 0.7951637386033705
Energy: 0.7020913770046507
Energy: 0.7951637386045901
Energy: 1.3444566229685964
Energy: 0.8252795677625363
Energy: 0.7529703440516856
Energy: 0.825279567763146
Energy: 1.1435892114886408
Energy: 0.7966747906306045
Energy: 0.702770352194362
Energy: 0.7966747906306045
Energy: 1.596562487176629
Energy: 0.7962406283701364
Energy: 0.753802406046441
Energy: 0.7962406283689167
Energy: 1.1881760819082827
Energy: 0.7948791385633152
Energy: 0.7020282224632588
Energy: 0.7948791385614858
Energy: 1.4615614606803122
Energy: 0.8216261169807569
Energy: 0.7528475939794025
Energy: 0.821626116980147
Energy: 1.1435138192316494
Energy: 0.9678336869651561
Energy: 0.7021975591590601
Energy: 0.9678336869663758
Energy: 1.4323453980713245
Energy: 0.796132390441861
Energy: 0.7538637955419311
Energy: 0.796132390441861
Energy: 0.7973464426626332
Energy: 0.7948380196989497
Energy: 0.9269436180215262
Energy: 0.7948380197019986
Energy: 1.1270375202280627
Energy: 0.8221225534021048
Energy: 0.7529529556510608
Energy: 0.8221225534002754
Energy: 0.7522970524150379
Energy: 0.9674212383736724
Energy: 0.9297370416330805
Energy: 0.9674212383718431
Energy: 1.117040114307265
Energy: 0.794946035782598
Energy: 0.7538902589778541
Energy: 0.7949460357856468
Energy: 0.7548870342587692
Energy: 0.795458258202524
Energy: 0.9465762586076454
Energy: 0.7954582582439343
Energy: 0.7169038678431187
Energy: 0.8508344665168996
Energy: 0.7554122726231461
Energy: 0.8508344665168996
Energy: 0.7516356867996996
Energy: 0.9674830583616366
Energy: 1.3253942124438973
Energy: 0.9674830583628561
Energy: 0.6998946793199149
Energy: 0.7953844170888681
Energy: 0.7975485731807865
Energy: 0.7953844170882585
Energy: 0.7532403564990732
Energy: 0.7946579274592389
Energy: 1.344576780935096
Energy: 0.7946579274574096

minimum gb energy = 0.6998946793199149 eV
minimum distance =  2.27981483902744 Angstroms
sigma value = 113


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

Energy: 0.022547169623352254
Energy: 0.02469038286193279
Energy: 1.1142102284149151
Energy: 0.024690382862401567
Energy: 1.1144228721278777
Energy: 0.39409276326057235
Energy: 0.3952888846230885
Energy: 0.39409276326104115
Energy: 0.022547169623352254
Energy: 0.024690382862401567
Energy: 1.1142117822408955
Energy: 0.024690382862401567
Energy: 1.1144228721269922
Energy: 0.39409276326057235
Energy: 0.3952888846272033
Energy: 0.39409276326104115
Energy: 0.02254716962288348
Energy: 0.02469038286193279
Energy: 1.1142121970416976
Energy: 0.024690382862401567
Energy: 1.1144228721269922
Energy: 0.39409276326104115
Energy: 0.39528888463590167
Energy: 0.39409276326057235

minimum gb energy = 0.02254716962288348 eV
minimum distance =  2.47510265431302 Angstroms
sigma value = 1