Model name: model_name=Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917386054992676
cohesive_energy=5.770237530861869
mass=195.084
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=[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.00749527886932e-20, 1.3920671902172398e-19, 2.9286987781202996e-19, 4.37844432716154e-19, 5.61534071037588e-19, 6.61984137282852e-19, 7.4065261218888595e-19, 8.00064526130874e-19, 8.429820316258319e-19, 8.72039107060056e-19, 8.89582941202356e-19, 9.005081836696018e-19, 9.09281702917386e-19, 9.15993220837212e-19, 9.20713233200976e-19, 9.2350262272077e-19, 9.24420669932052e-19, 9.23419309535802e-19, 9.2014606267254e-19, 9.141379002950399e-19, 9.048340605814019e-19, 8.91552016285542e-19, 8.734586355577798e-19, 8.495301275289899e-19, 8.18502374834946e-19, 7.78800437844426e-19, 7.284600480041459e-19, 6.649994337080399e-19, 5.85262306987128e-19, 4.85212784900364e-19, 3.596085455013e-19, 2.0160028367958598e-19, 2.11349528497476e-21, -2.51184446148618e-19, -5.76612155340162e-19, -1.0001283224184538e-18, -1.558176057100458e-18, -2.301526734741e-18, -3.3001474089468596e-18, -4.65276901043502e-18, -6.536720449056599e-18, -9.24164321670612e-18, -1.3329693028955159e-17, -1.98738796211262e-17, -3.06166341697596e-17, -4.98703112158644e-17, -8.889292531356839e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018952395211789798
Energy: 0.020149966557504055
Energy: 0.7855498039827356
Energy: 0.1281409255675522
Energy: 0.020149966557504055
Energy: 0.8751929187734886
Energy: 0.1281409255670181
Energy: 0.8751929187515599
Energy: 0.7855498039832697
Energy: 0.12814092556805665
Energy: 0.01895239521125567
Energy: 0.020149966557504055
Energy: 0.1281409255659795
Energy: 0.8751929187917675
Energy: 0.020149966556969934
Energy: 0.8751929187948831

minimum gb energy = 0.01895239521125567 eV
minimum distance =  2.65042541405484 Angstroms
sigma value = 1


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

Energy: 1.6562380397133158
Energy: 1.2524371963085548
Energy: 1.3689555606651893
Energy: 1.4511455270148295
Energy: 1.3212132469117877
Energy: 1.2342685728060747
Energy: 1.395845311421192
Energy: 1.234268573083205
Energy: 1.3651895420810534
Energy: 1.3516292632633882
Energy: 1.8531755174262639
Energy: 1.3516292632646838
Energy: 1.281290622924159
Energy: 1.4330268876560677
Energy: 1.3986124197949197
Energy: 1.4330268876599541
Energy: 1.5404838982704623
Energy: 1.243763782280101
Energy: 1.2667460096159306
Energy: 1.2437637822768621
Energy: 1.3749577594310058
Energy: 1.7076529828660312
Energy: 1.2887302872487598
Energy: 1.7076529828660312
Energy: 1.2848325175467878
Energy: 1.315716106033349
Energy: 1.558049756091826
Energy: 1.315716106033349
Energy: 1.3240224305672559
Energy: 1.5688069947104855
Energy: 1.3532769344171562
Energy: 1.5688069947111332
Energy: 1.3364706798792847
Energy: 1.295368915896674
Energy: 1.4089789717279713
Energy: 1.2953689158973216
Energy: 1.317856554536627
Energy: 1.513192491302772
Energy: 1.3134617844185719
Energy: 1.513192491302772
Energy: 1.4402128496080975
Energy: 1.3049571183060367
Energy: 1.3912572291891432
Energy: 1.3049571183040933
Energy: 1.3491982753365142
Energy: 1.5389623194389443
Energy: 1.4154433916960498
Energy: 1.5389623194389443
Energy: 1.2546018800042649
Energy: 1.3147833800256397
Energy: 1.6805691780034393
Energy: 1.3147833800230484
Energy: 1.375689096768184
Energy: 1.5792264479680673
Energy: 1.3633371930731772
Energy: 1.5792264479680673
Energy: 1.6662251025366175
Energy: 1.2343639712896686
Energy: 1.2285894691596695
Energy: 1.2343639712871364
Energy: 1.380681533198403
Energy: 1.235506722172679
Energy: 1.328278722280543
Energy: 1.235506718301335
Energy: 1.3686965326171705
Energy: 1.2419410098671015
Energy: 1.9544541738767987
Energy: 1.2419410098781138
Energy: 1.353359551695288
Energy: 1.2358084886014729
Energy: 1.3534502750468054
Energy: 1.2358084926618496
Energy: 1.844836604520373
Energy: 1.3535319114238968
Energy: 1.3809757989941414
Energy: 1.35353191148732
Energy: 1.4483343312762724
Energy: 1.7492554094814423
Energy: 1.2774148066664537
Energy: 1.7492554094820902
Energy: 1.2688488645530422
Energy: 1.2312847069005828
Energy: 1.5794528180704452
Energy: 1.2312847069025261
Energy: 1.1912368058433904
Energy: 1.7099665837322744
Energy: 1.3750304270519367
Energy: 1.7099665837322744
Energy: 1.5507025021930254
Energy: 1.3055686316976993
Energy: 1.3016979245865337
Energy: 1.3055686316996429
Energy: 1.3827798839712102
Energy: 1.2739333282509484
Energy: 1.2326408121488501
Energy: 1.273933328251596
Energy: 1.4175217736851486
Energy: 1.2890268784555818
Energy: 1.3374263168349911
Energy: 1.289026878454934
Energy: 1.309986393544402
Energy: 1.323986136907527
Energy: 1.3186137760404653
Energy: 1.323986136906879
Energy: 1.3667335367571332
Energy: 1.301676987793938
Energy: 1.4512788502843887
Energy: 1.3016769877945857
Energy: 1.4333939454232607
Energy: 1.3131208480195935
Energy: 1.4010554916478584
Energy: 1.3131208480137637
Energy: 1.690388588959436
Energy: 1.3151312066325316
Energy: 1.2040470666846463
Energy: 1.3151312066325316
Energy: 1.365933970636961
Energy: 1.2343465868571915
Energy: 1.3789006985323795
Energy: 1.234346586849418
Energy: 1.1800056255742033
Energy: 1.2365094049667917
Energy: 1.6716626314699834
Energy: 1.236509404962905
Energy: 1.3281861477760677
Energy: 1.2329655070893761
Energy: 1.3778847088283797
Energy: 1.2329655070880805
Energy: 1.969312772040704
Energy: 1.2334009639403607
Energy: 1.3695580754692012
Energy: 1.233400963942304

minimum gb energy = 1.1800056255742033 eV
minimum distance =  2.43571753208813 Angstroms
sigma value = 1


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

Energy: 1.8937251127903967
Energy: 1.2905765283268797
Energy: 1.4068592798712882
Energy: 1.4640428844214646
Energy: 1.4150390787361908
Energy: 1.2784355651265928
Energy: 1.3886208662563742
Energy: 1.2784355651214228
Energy: 1.443748905182561
Energy: 1.4485700760407565
Energy: 1.7584525056735432
Energy: 1.448570076041495
Energy: 1.3321632568112003
Energy: 1.4441310380361811
Energy: 1.3903853426798312
Energy: 1.4441310380900976
Energy: 1.7499646168309433
Energy: 1.278676069755406
Energy: 1.3205000017272206
Energy: 1.2786760697561443
Energy: 1.3822632933840098
Energy: 1.451583386341337
Energy: 1.2219177668055743
Energy: 1.4515833863442913
Energy: 1.3609476699819791
Energy: 1.3677832863159232
Energy: 1.4720555697880648
Energy: 1.3677832863151844
Energy: 1.369612835116461
Energy: 1.5742252306952866
Energy: 1.4034025058265516
Energy: 1.5742252307004567
Energy: 1.5020068487948792
Energy: 1.3578575417364787
Energy: 1.3881439747297304
Energy: 1.3578575417357404
Energy: 1.3375860643483204
Energy: 1.5354263735751617
Energy: 1.3437619366534683
Energy: 1.5354263735795932
Energy: 1.6077495377627034
Energy: 1.3697385096094015
Energy: 1.3141066881644492
Energy: 1.3697385096094015
Energy: 1.411845461977916
Energy: 1.5682754252255329
Energy: 1.4530403227205937
Energy: 1.5682754252247944
Energy: 1.2811657093564197
Energy: 1.3630198622469347
Energy: 1.6169320719606532
Energy: 1.3630198622439802
Energy: 1.3904810018132308
Energy: 1.2755753263220706
Energy: 1.3497367083834562
Energy: 1.275575326317639
Energy: 1.897815380279106
Energy: 1.275954389711548
Energy: 1.4011729714771584
Energy: 1.275954389711548
Energy: 1.4158856180852377
Energy: 1.2776880647989226
Energy: 1.3677358044990153
Energy: 1.2776880647480278
Energy: 1.4473356841754075
Energy: 1.436369066783269
Energy: 1.8287234833870991
Energy: 1.4363690667788374
Energy: 1.395259704767764
Energy: 1.764346188139375
Energy: 1.5009206193403433
Energy: 1.764346188137898
Energy: 1.7506195477062536
Energy: 1.281230182738745
Energy: 1.321076539239186
Energy: 1.2812301827350523
Energy: 1.4360420375566159
Energy: 1.5671280732544237
Energy: 1.2241667884644531
Energy: 1.5671280732529467
Energy: 1.3735871929865897
Energy: 1.3142355222684798
Energy: 1.4679885274241156
Energy: 1.3142355222692186
Energy: 1.2850496444587967
Energy: 1.3542241692040538
Energy: 1.3930871138755252
Energy: 1.3542241691900205
Energy: 1.5020772980503436
Energy: 1.350242927918789
Energy: 1.3892770908616625
Energy: 1.3502429279224821
Energy: 1.374795266227825
Energy: 1.3965375427876874
Energy: 1.3847960575009919
Energy: 1.3965375427862103
Energy: 1.5976616165892832
Energy: 1.3715087972540452
Energy: 1.2726012678010208
Energy: 1.3715087972533067
Energy: 1.4157930824063754
Energy: 1.4591861419069325
Energy: 1.4452298208165049
Energy: 1.4591861419054555
Energy: 1.224053868470395
Energy: 1.277625929680842
Energy: 1.6140700399582872
Energy: 1.2776259300550998
Energy: 1.3897047896138222
Energy: 1.2758421254637797
Energy: 1.346275334595628
Energy: 1.2758421254608256
Energy: 1.9104805176460244
Energy: 1.2755443463914264
Energy: 1.391943575757984
Energy: 1.2755443464010279

minimum gb energy = 1.2219177668055743 eV
minimum distance =  2.43696180465547 Angstroms
sigma value = 25


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

Energy: 1.8063877328422249
Energy: 1.3373657926815992
Energy: 1.4829679706933874
Energy: 1.4450208640207325
Energy: 1.4877410710332457
Energy: 1.435398108192937
Energy: 1.455601708366315
Energy: 1.4353981081920786
Energy: 1.4586383572962436
Energy: 1.4974121840208428
Energy: 1.6513677070500212
Energy: 1.4974121840234185
Energy: 1.3828940303893342
Energy: 1.455324919348986
Energy: 1.454357312253263
Energy: 1.4553249193515616
Energy: 1.6598460256863043
Energy: 1.3202969674680753
Energy: 1.3611632693883606
Energy: 1.320296967461246
Energy: 1.437435244022147
Energy: 1.4797834181289617
Energy: 1.3208407332002714
Energy: 1.479783418128103
Energy: 1.4504085179876915
Energy: 1.4219698734448845
Energy: 1.3645038311263613
Energy: 1.4219698734457433
Energy: 1.3691948442628956
Energy: 1.572587965062538
Energy: 1.4407072361597328
Energy: 1.572587965062538
Energy: 1.4335910959991855
Energy: 1.4198463493098066
Energy: 1.492459026212961
Energy: 1.4198463493098066
Energy: 1.5262595384072508
Energy: 1.5081240356121854
Energy: 1.3783001558820083
Energy: 1.5081240356147612
Energy: 1.8147909095520471
Energy: 1.4186913691484817
Energy: 1.3352767210899599
Energy: 1.4186913691476233
Energy: 1.39396462238602
Energy: 1.3251691428113255
Energy: 1.4542229979124854
Energy: 1.3251691428061738
Energy: 1.458712105359169
Energy: 1.3214584773452336
Energy: 1.8260176448564416
Energy: 1.321458477344375
Energy: 1.4207762076982737
Energy: 1.3250478953728326
Energy: 1.4880610255859976
Energy: 1.3250478938006172
Energy: 1.6965748240297913
Energy: 1.4973373748248044
Energy: 1.5171985737666998
Energy: 1.4973373748248044
Energy: 1.581855339390252
Energy: 1.4545263142054492
Energy: 1.4657535227837355
Energy: 1.4545263141977218
Energy: 1.4013437071246746
Energy: 1.3205332866850108
Energy: 1.6604025935639526
Energy: 1.3205332866858694
Energy: 1.3231787707503775
Energy: 1.4794870675775351
Energy: 1.438484696180597
Energy: 1.479487067578394
Energy: 1.3659811510956028
Energy: 1.3580753022775325
Energy: 1.4406465004588773
Energy: 1.35807530227925
Energy: 1.4393242983123782
Energy: 1.4464876306976147
Energy: 1.3622894767746863
Energy: 1.4464876306958974
Energy: 1.5069585725914152
Energy: 1.420800662683103
Energy: 1.4324804087190397
Energy: 1.4208006626822443
Energy: 1.4702555138032085
Energy: 1.4815297855128104
Energy: 1.4976124715143213
Energy: 1.481529785511952
Energy: 1.2687674376166227
Energy: 1.3220566182605074
Energy: 1.686194616309243
Energy: 1.322056618261366
Energy: 1.4553500656392713
Energy: 1.3200578243252996
Energy: 1.3926154923688354
Energy: 1.320057824371624
Energy: 1.8312217525888987
Energy: 1.3203033199024434
Energy: 1.4122285654390263
Energy: 1.3203033199033016

minimum gb energy = 1.2687674376166227 eV
minimum distance =  2.44298458588841 Angstroms
sigma value = 9


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

Energy: 1.7172029920853775
Energy: 1.4223668655814292
Energy: 1.5440275895554663
Energy: 1.5353181745032307
Energy: 1.5622523922340394
Energy: 1.5470571783486529
Energy: 1.46607280911668
Energy: 1.5470571783476288
Energy: 1.5029269778162513
Energy: 1.5254459515677843
Energy: 1.9506481146410923
Energy: 1.5254459515677843
Energy: 1.4421307832710792
Energy: 1.4789321284448704
Energy: 1.4658942079553707
Energy: 1.4789321284458945
Energy: 1.5482988302332068
Energy: 1.3857189199482727
Energy: 1.4342201093429707
Energy: 1.3857189199482727
Energy: 1.499548752814521
Energy: 1.6504539062181307
Energy: 1.3685555498151583
Energy: 1.6504539062181307
Energy: 1.4128623964940392
Energy: 1.4759954431547644
Energy: 1.548282694040606
Energy: 1.4759954431557885
Energy: 1.3638128599192019
Energy: 1.4165508342732822
Energy: 1.451288716417809
Energy: 1.4165508342732822
Energy: 1.3925279233622072
Energy: 1.4597208137173705
Energy: 1.6843988477237903
Energy: 1.4597208137173705
Energy: 1.5030207904946267
Energy: 1.5597171245331352
Energy: 1.453901686686247
Energy: 1.5597171245321109
Energy: 1.7535925205185892
Energy: 1.3865773920041746
Energy: 1.5363393335251723
Energy: 1.3865773920041746
Energy: 1.5141975041743991
Energy: 1.3857139006698642
Energy: 1.4655640871779143
Energy: 1.3857139006719124
Energy: 1.5247459726469548
Energy: 1.526058559639971
Energy: 1.953566257593433
Energy: 1.526058559639971
Energy: 1.4569356507707332
Energy: 1.5489878172409721
Energy: 1.6993887113756267
Energy: 1.5489878172409721
Energy: 1.5126025823192801
Energy: 1.3875208052402135
Energy: 1.465384930798065
Energy: 1.3875208052402135
Energy: 1.4984520373075652
Energy: 1.419228013698608
Energy: 1.3279810299314334
Energy: 1.4192280136904605
Energy: 1.417811550692849
Energy: 1.4171047571914963
Energy: 1.547415098331198
Energy: 1.4171047571925204
Energy: 1.4162740639529547
Energy: 1.468109160857191
Energy: 1.4476885912156328
Energy: 1.468109160857191
Energy: 1.327757213479433
Energy: 1.3874714325953923
Energy: 1.7204501437798398
Energy: 1.3874714325943678
Energy: 1.5019325343789574
Energy: 1.3854278570286205
Energy: 1.453663112537345
Energy: 1.3854278570245238
Energy: 1.708916581116736
Energy: 1.3860001500743557
Energy: 1.4571885940665863
Energy: 1.3860001500743557

minimum gb energy = 1.327757213479433 eV
minimum distance =  2.44450312507023 Angstroms
sigma value = 25


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

Energy: 1.5283931311717713
Energy: 1.4310368316697462
Energy: 1.5773692288603782
Energy: 1.5546277780771773
Energy: 1.5137425024982822
Energy: 1.5190377439052403
Energy: 1.505733559868928
Energy: 1.5190377439039737
Energy: 1.5833367927483484
Energy: 1.5385557331195412
Energy: 1.7801905203098742
Energy: 1.5385557331170079
Energy: 1.4281019866694888
Energy: 1.518397038053243
Energy: 1.5066886988134462
Energy: 1.5183970380545095
Energy: 1.4308872671283999
Energy: 1.4808385204067664
Energy: 1.4968326213636782
Energy: 1.480838520408033
Energy: 1.52619167442604
Energy: 1.5811451059626254
Energy: 1.3519341113725598
Energy: 1.5811451059651584
Energy: 1.5069582349737995
Energy: 1.440361352121805
Energy: 1.4938040151361194
Energy: 1.4403613521230718
Energy: 1.4265562205011015
Energy: 1.4224985836542985
Energy: 1.5440740580943149
Energy: 1.4224985837239068
Energy: 1.5805594153339526
Energy: 1.538947137270535
Energy: 2.0715569015665536
Energy: 1.538947137270535
Energy: 1.505073556101811
Energy: 1.4225698343370383
Energy: 1.514734048627393
Energy: 1.4225698343117053
Energy: 1.7823975810843227
Energy: 1.5427197497937228
Energy: 1.6076216640601557
Energy: 1.5427197497924563
Energy: 1.7632261354881362
Energy: 1.520600417943465
Energy: 1.563841500309639
Energy: 1.5206004179712738
Energy: 1.5048298795667625
Energy: 1.4785830009439298
Energy: 1.5009877726122565
Energy: 1.4785830009413967
Energy: 1.421613286218148
Energy: 1.4969794917439816
Energy: 1.5347175135555158
Energy: 1.4969794917427148
Energy: 1.491633486575194
Energy: 1.441797242184446
Energy: 1.5582648915653885
Energy: 1.441797242184446
Energy: 1.5462667229258567
Energy: 1.4897898240982228
Energy: 1.5578289105333198
Energy: 1.489789824096956
Energy: 1.5129045395246576
Energy: 1.4230342532032298
Energy: 1.51794575353597
Energy: 1.4230342532006965

minimum gb energy = 1.3519341113725598 eV
minimum distance =  2.45731474614498 Angstroms
sigma value = 17


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

Energy: 1.9744012569226481
Energy: 1.5544975979276268
Energy: 1.655014267607799
Energy: 1.6304235981544126
Energy: 1.571685510539176
Energy: 1.5300499485471732
Energy: 1.596088897505628
Energy: 1.5300499485478907
Energy: 1.5526629347214103
Energy: 1.5069108814925352
Energy: 1.8170200524711504
Energy: 1.5069108814925352
Energy: 1.430293231822953
Energy: 1.5491132667551204
Energy: 1.5962665643267222
Energy: 1.5491132667529681
Energy: 1.5823635990719664
Energy: 1.4766582623191187
Energy: 1.5336349440264292
Energy: 1.476658262317684
Energy: 1.6152786236491072
Energy: 1.5472373709081426
Energy: 1.4284007603317321
Energy: 1.5472373709074252
Energy: 1.7107367125383783
Energy: 1.496421653277764
Energy: 1.552532566702888
Energy: 1.4964216532799162
Energy: 1.6319436040175421
Energy: 1.5319204523691632
Energy: 1.5817106291514043
Energy: 1.5319204523648589
Energy: 1.6578043923727084
Energy: 1.6137003601817907
Energy: 1.892942303697095
Energy: 1.6137003601810735
Energy: 1.5711664540779138
Energy: 1.554989712205907
Energy: 1.6247364679559466
Energy: 1.5549897122023202
Energy: 1.5691220324852346
Energy: 1.4541407027209587
Energy: 1.5687738880695703
Energy: 1.454140702723828
Energy: 1.6409859516288545
Energy: 1.4974146768339693
Energy: 1.4517617404905436
Energy: 1.4974146768311
Energy: 1.6921044782977923
Energy: 1.4971547652410544
Energy: 1.4426875412555642
Energy: 1.4971547652410544
Energy: 1.6795581957576524
Energy: 1.4818682730511155
Energy: 1.5541279415691402
Energy: 1.4818682730532675
Energy: 1.5875694583449258
Energy: 1.6122996598685595
Energy: 1.6373607942925048
Energy: 1.6122996598735813
Energy: 1.6482995568235557
Energy: 1.6292730369658768
Energy: 1.9655713036613305
Energy: 1.629273036981659
Energy: 1.687390203758371
Energy: 1.5819195362207792
Energy: 1.572430269249373
Energy: 1.581919536218627
Energy: 1.860272718375462
Energy: 1.4930685346477552
Energy: 1.4699311634804886
Energy: 1.493068534649907
Energy: 1.5958564921550868
Energy: 1.549238092597996
Energy: 1.588312458460508
Energy: 1.5492380925972786
Energy: 1.4902396113444831
Energy: 1.4782631787377132
Energy: 1.6628618835935758
Energy: 1.4782631787384304
Energy: 1.427911539090927
Energy: 1.5332270361566407
Energy: 1.6341473644901223
Energy: 1.533227036157358
Energy: 1.5866033918624871
Energy: 1.5179019338835147
Energy: 1.659814108905769
Energy: 1.517901933879928
Energy: 1.5927375187894504
Energy: 1.6855457316716458
Energy: 1.5972863958135497
Energy: 1.6855457316716458
Energy: 2.0070643503041903
Energy: 1.6336442824551611
Energy: 1.6400074958874988
Energy: 1.633644282456596
Energy: 1.5521680305698524
Energy: 1.4978736746155776
Energy: 1.5371097076635065
Energy: 1.4978736746127084
Energy: 1.510917348357548
Energy: 1.4930760027862828
Energy: 1.5812619945061768
Energy: 1.4930760027848482
Energy: 1.4248396133823997
Energy: 1.5682770976698033
Energy: 1.637879102894738
Energy: 1.5682770976683682
Energy: 1.5430019744671735
Energy: 1.481706112988499
Energy: 1.6602901345122634
Energy: 1.481706112988499
Energy: 1.550518865951626
Energy: 1.5096728697019524
Energy: 1.5397786013245378
Energy: 1.5096728697019524
Energy: 1.976358351711837
Energy: 1.623723551588326
Energy: 1.6553074791412725
Energy: 1.623723551586891

minimum gb energy = 1.4248396133823997 eV
minimum distance =  2.47450476351346 Angstroms
sigma value = 53


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

Energy: 1.7311688595722032
Energy: 1.371858010681325
Energy: 1.578679443304499
Energy: 1.5114891324230564
Energy: 1.622008426290618
Energy: 1.4569628149457872
Energy: 1.5873246138657373
Energy: 1.4569628149441731
Energy: 1.5187414277936977
Energy: 1.5103679007604551
Energy: 1.5506689924182468
Energy: 1.5103679007621067
Energy: 1.4967803047678734
Energy: 1.447780122436525
Energy: 1.5869050544917418
Energy: 1.447780122434873
Energy: 1.5593652475131503
Energy: 1.3937077072983837
Energy: 1.3764111984658232
Energy: 1.3937077072983837
Energy: 1.4974868386163083
Energy: 1.4280640316743436
Energy: 1.439778003467994
Energy: 1.4280640316759952
Energy: 1.747059297944124
Energy: 1.621853145336004
Energy: 1.5155047221883897
Energy: 1.6218531453343528
Energy: 1.5965581266041389
Energy: 1.4621977455888326
Energy: 1.7127356314433213
Energy: 1.462197745587181
Energy: 1.5066241554723103
Energy: 1.5126536936694401
Energy: 1.5511893222968531
Energy: 1.5126536936710915
Energy: 1.51642237121114
Energy: 1.4330413348683453
Energy: 1.717749005357486
Energy: 1.4330413348716486
Energy: 1.552916126586884
Energy: 1.3959786758036528
Energy: 1.4446940551571066
Energy: 1.395978675805304
Energy: 1.4967379136330057
Energy: 1.4228426967447454
Energy: 1.37458348847205
Energy: 1.4228426967480488
Energy: 1.594047993885695
Energy: 1.4599203337222482
Energy: 1.621076243936478
Energy: 1.4599203337238997

minimum gb energy = 1.371858010681325 eV
minimum distance =  2.50567132721221 Angstroms
sigma value = 9


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

Energy: 1.7803487344678497
Energy: 1.6550945537298307
Energy: 1.6628744853996258
Energy: 1.6896453576675516
Energy: 1.6145861666340915
Energy: 1.5421192142946545
Energy: 1.7313285987631317
Energy: 1.5421192142909872
Energy: 1.5145227811593909
Energy: 1.518073492039129
Energy: 1.6655582103182587
Energy: 1.5180734920427965
Energy: 1.4342389215964018
Energy: 1.5255057403478494
Energy: 1.6941436927461215
Energy: 1.5255057403478494
Energy: 1.513985567221198
Energy: 1.517817257883934
Energy: 1.8605169901007803
Energy: 1.5178172578814888
Energy: 1.5885687166458984
Energy: 1.600435854571331
Energy: 1.8684588937694158
Energy: 1.6004358545731647
Energy: 2.087973960842756
Energy: 1.753383334871212
Energy: 1.6697600718668455
Energy: 1.7533833348602095
Energy: 1.8772787197726284
Energy: 1.6857385716944735
Energy: 1.6757315267383255
Energy: 1.6857385716993634
Energy: 1.66163620914904
Energy: 1.5449281699318174
Energy: 1.506273636760566
Energy: 1.5449281699282056
Energy: 1.4388984697447975
Energy: 1.5675739386570329
Energy: 1.7135380420713173
Energy: 1.5675739386545877
Energy: 1.5511188173198824
Energy: 1.5438141276494848
Energy: 1.6943886513257842
Energy: 1.5438141276488737
Energy: 1.6016368935951386
Energy: 1.5801995729597333
Energy: 1.7865893958234178
Energy: 1.5801995729621783
Energy: 1.9274651287523799
Energy: 1.6463148583430793
Energy: 1.601874464945928
Energy: 1.6463148583436906
Energy: 2.0097512248083818
Energy: 1.63108054171503
Energy: 1.551606503417396
Energy: 1.631080541716864
Energy: 1.7173779241290583
Energy: 1.6228430545419412
Energy: 1.5276575461477129
Energy: 1.62284305454133
Energy: 1.5923612926483628
Energy: 1.548549896000947
Energy: 1.6296255293332842
Energy: 1.5485498960027806
Energy: 1.65443860536991
Energy: 1.4646429463842716
Energy: 1.650260894232622
Energy: 1.4646429463842716
Energy: 1.589011196698665
Energy: 1.630285247521183
Energy: 1.7022865706294723
Energy: 1.630285247518127
Energy: 1.5956720182123565
Energy: 1.4658036334622555
Energy: 1.5883272823667356
Energy: 1.4658036334640894
Energy: 1.6640456410058482
Energy: 1.5388154005420047
Energy: 1.5859505090232888
Energy: 1.5388154005444497
Energy: 1.7121277565944886
Energy: 1.4969702077094078
Energy: 1.4628166047083597
Energy: 1.4969702077087967
Energy: 1.8410480528495623
Energy: 1.569602248208783
Energy: 1.4622040142140829
Energy: 1.569602248209394
Energy: 1.8599666585582544
Energy: 1.5333654970648318
Energy: 1.6121765137653277
Energy: 1.533365497062387
Energy: 1.681364873543258
Energy: 1.8166798755219582
Energy: 2.0861953776259723
Energy: 1.8166798755213471
Energy: 1.6625041420857618
Energy: 1.7254843017019192
Energy: 1.8798852870054261
Energy: 1.7254843017019192
Energy: 1.548037408809829
Energy: 1.5378407271928511
Energy: 1.6658905991106754
Energy: 1.5378407271965187
Energy: 1.7224758696720202
Energy: 1.5527813541674342
Energy: 1.4386680099133007
Energy: 1.5527813541649893
Energy: 1.7382206992463367
Energy: 1.525519240609062
Energy: 1.5333929852044232
Energy: 1.525519240613952
Energy: 1.7835628105857189
Energy: 1.588586874731763
Energy: 1.5811402395489185
Energy: 1.5885868747311518
Energy: 1.5832730806921211
Energy: 1.5554392151863392
Energy: 1.7120687342397345
Energy: 1.5554392151838943
Energy: 1.5485409066200075
Energy: 1.5758250919156076
Energy: 1.8577997101939414
Energy: 1.575825091913774
Energy: 1.5168860968165754
Energy: 1.6159430443358482
Energy: 1.7353047612308603
Energy: 1.6159430443340146
Energy: 1.5524573347544242
Energy: 1.5267417478065084
Energy: 1.5900004456567032
Energy: 1.526741747802841
Energy: 1.6513552463846901
Energy: 1.5393301678968854
Energy: 1.670790672599469
Energy: 1.5393301678938291
Energy: 2.0126682366766313
Energy: 1.6821125000268862
Energy: 1.6599080862723365
Energy: 1.682112500025052

minimum gb energy = 1.4342389215964018 eV
minimum distance =  2.46885599976655 Angstroms
sigma value = 73


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

Energy: 1.6054565495505904
Energy: 1.5617962628939561
Energy: 1.6078481427709699
Energy: 1.6372289846391577
Energy: 1.6145336730016402
Energy: 1.463426052766452
Energy: 1.6531846395857366
Energy: 1.4634260527674219
Energy: 1.4623816089497381
Energy: 1.5251741337538514
Energy: 1.5043649293994494
Energy: 1.5251741337538514
Energy: 1.408147331170027
Energy: 1.4614716806644572
Energy: 1.7546398879996166
Energy: 1.4614716806644572
Energy: 1.4419466201283573
Energy: 1.494952442412446
Energy: 1.6139482150962703
Energy: 1.494952442412446
Energy: 1.5745277311920653
Energy: 1.585636559964794
Energy: 1.7663392672702711
Energy: 1.585636559964794
Energy: 1.8715928396621069
Energy: 1.6629446661916591
Energy: 1.6026793398613841
Energy: 1.662944666192629
Energy: 1.8170597435040357
Energy: 1.6155441816680427
Energy: 1.68966877451077
Energy: 1.6155441816690126
Energy: 1.709909111990853
Energy: 1.5153722480674743
Energy: 1.5117312375158511
Energy: 1.5153722480655345
Energy: 1.3812048594565238
Energy: 1.5687460901983041
Energy: 1.6183035077802186
Energy: 1.568746090199274
Energy: 1.613243874266835
Energy: 1.5086618600096366
Energy: 1.614367909259911
Energy: 1.5086618600106063
Energy: 1.6112848722803017
Energy: 1.6386065539593013
Energy: 1.6139037848844004
Energy: 1.6386065539593013
Energy: 1.590893520840154
Energy: 1.4903758483790277
Energy: 1.5012974667874668
Energy: 1.4903758483799976
Energy: 1.711169428222487
Energy: 1.4908489550291184
Energy: 1.4438909174091583
Energy: 1.4908489550291184
Energy: 1.7540349520750602
Energy: 1.5034000805795824
Energy: 1.3942471004074113
Energy: 1.5034000805795824
Energy: 1.6163732406181937
Energy: 1.5232102645519563
Energy: 1.4841589780168813
Energy: 1.523210264552926
Energy: 1.7804355034609303
Energy: 1.5840861390857455
Energy: 1.5765308942277052
Energy: 1.5840861390857455
Energy: 1.6100290522670508
Energy: 1.6398802851728962
Energy: 1.8697310880668878
Energy: 1.6398802851728962
Energy: 1.6605923288485296
Energy: 1.585877385553439
Energy: 1.6833230686252993
Energy: 1.5858773855524693
Energy: 1.5097627552324906
Energy: 1.546309189120334
Energy: 1.6181230488810607
Energy: 1.5463091891213037
Energy: 1.5849247286919537
Energy: 1.4937383813805407
Energy: 1.384338260071166
Energy: 1.4937383813815104
Energy: 1.837672190588907
Energy: 1.6159544399581567
Energy: 1.609024704833266
Energy: 1.615954439957187

minimum gb energy = 1.3812048594565238 eV
minimum distance =  2.42622243029535 Angstroms
sigma value = 7


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

Energy: 1.9885130294021776
Energy: 1.5894787304592861
Energy: 1.6666987063001584
Energy: 1.6457391455405406
Energy: 1.6541911752897311
Energy: 1.6209063728584001
Energy: 1.6425563110018677
Energy: 1.6209063728570288
Energy: 1.466803516469734
Energy: 1.5284643566248244
Energy: 1.4489936777653873
Energy: 1.5284643566282532
Energy: 1.3877858980612316
Energy: 1.5302922894466808
Energy: 1.7420020099272646
Energy: 1.5302922894480522
Energy: 1.4978131972576771
Energy: 1.5113622099682664
Energy: 1.7198086158683255
Energy: 1.5113622099723807
Energy: 1.5655828496765074
Energy: 1.6684450372588255
Energy: 1.7221690642830905
Energy: 1.6684450372567683
Energy: 1.7707070855003528
Energy: 1.6558772285458878
Energy: 1.5310936615446142
Energy: 1.6558772285458878
Energy: 1.7250537349306219
Energy: 1.478935609970763
Energy: 1.5290173038747197
Energy: 1.4789356099604767
Energy: 1.7512385889922701
Energy: 1.496516189242238
Energy: 1.3667089942697153
Energy: 1.4965161892436096
Energy: 1.5344649917963333
Energy: 1.5676519317261954
Energy: 1.544133926472421
Energy: 1.567651931724824
Energy: 1.6932502463981913
Energy: 1.6044532476368176
Energy: 1.8292552092809218
Energy: 1.6044532476361317
Energy: 1.6338537729088731
Energy: 1.6582006633912552
Energy: 1.8222410209301627
Energy: 1.6582006633926267
Energy: 1.5503042162856802
Energy: 1.5402602681978077
Energy: 1.7120414172290621
Energy: 1.5402602681964361
Energy: 1.4700666750216065
Energy: 1.5039755546811453
Energy: 1.4149994539842465
Energy: 1.503975554681831
Energy: 1.6619459908497876
Energy: 1.587778168565405
Energy: 1.4502976824301037
Energy: 1.5877781685660908
Energy: 1.993108812242026
Energy: 1.6440008664788825
Energy: 1.619978569823487
Energy: 1.6440008664809398
Energy: 1.663332519013649
Energy: 1.6062226902667307
Energy: 1.6842361381322082
Energy: 1.6062226902605592
Energy: 1.4717121123081858
Energy: 1.573922195011864
Energy: 1.4450634241699445
Energy: 1.5739221950056923
Energy: 1.3828599681118963
Energy: 1.469848499297105
Energy: 1.7434305704299635
Energy: 1.469848499297105
Energy: 1.5269411996184432
Energy: 1.5071434991837358
Energy: 1.7862349681635175
Energy: 1.507143499192651
Energy: 1.5713160448423575
Energy: 1.6572224973502425
Energy: 1.7180931667998205
Energy: 1.6572224973502425
Energy: 1.7902455800401496
Energy: 1.5116533726764338
Energy: 1.553768130674126
Energy: 1.5116533726750623
Energy: 1.787973195764247
Energy: 1.522744244523642
Energy: 1.4835595678176072
Energy: 1.5227442445256991
Energy: 1.7838398261780184
Energy: 1.530523605326806
Energy: 1.3671872710945594
Energy: 1.530523605326806
Energy: 1.5366410484454227
Energy: 1.532320003475444
Energy: 1.4785236115847755
Energy: 1.5323200034733868
Energy: 1.691382978936817
Energy: 1.5768970547165322
Energy: 1.6065156437765795
Energy: 1.5768970547151606
Energy: 1.6105607718249997
Energy: 1.6454410328925697
Energy: 1.7127695355157686
Energy: 1.645441032889141
Energy: 1.569657001905468
Energy: 1.5841724340735486
Energy: 1.7119691388190972
Energy: 1.584172434072177
Energy: 1.4641461935332751
Energy: 1.5231838232712334
Energy: 1.565715301407222
Energy: 1.5231838232678045
Energy: 1.6679646496150915
Energy: 1.6081662294699397
Energy: 1.4139235902797813
Energy: 1.6081662294719972
Energy: 1.9123053005722273
Energy: 1.6294219508783039
Energy: 1.6242275146537264
Energy: 1.629421950875561

minimum gb energy = 1.3667089942697153 eV
minimum distance =  2.41004689924302 Angstroms
sigma value = 29


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

Energy: 1.1031508994025923
Energy: 1.3411505985812326
Energy: 1.3943171870705435
Energy: 1.5276430948034048
Energy: 1.3216313542006766
Energy: 1.362989389615327
Energy: 1.3202532775241367
Energy: 1.3629893879975066
Energy: 1.3487214656115736
Energy: 1.5069173251609371
Energy: 1.5364194465108705
Energy: 1.5069173251702797
Energy: 1.3107346906994952
Energy: 1.362386049933635
Energy: 1.2383524471806626
Energy: 1.362386049933635
Energy: 1.3891382249066688
Energy: 1.2701060130354158
Energy: 1.1078033424469724
Energy: 1.2701283485633652
Energy: 1.2410524512294783
Energy: 1.3360967402654673
Energy: 1.1065466515390512
Energy: 1.3360036471727366
Energy: 1.3150178748031671
Energy: 1.5069694258634525
Energy: 1.3518576757021656
Energy: 1.5069694258634525
Energy: 1.317491248038703
Energy: 1.2662917796565822
Energy: 1.3118270955606566
Energy: 1.2662902610818292
Energy: 1.1728987073430104
Energy: 1.3485198370787244
Energy: 1.1277126354679226
Energy: 1.3485198370787244

minimum gb energy = 1.1031508994025923 eV
minimum distance =  2.50700636301912 Angstroms
sigma value = 5


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

Energy: 1.4914625564425403
Energy: 1.6131400837827756
Energy: 1.6566776846470328
Energy: 1.6291585768888088
Energy: 1.7824354703245766
Energy: 1.5299774769268393
Energy: 1.4785304541691697
Energy: 1.5299774769197136
Energy: 1.4725776062351257
Energy: 1.5273616535715249
Energy: 1.3760110355752773
Energy: 1.5273616535734682
Energy: 1.2454482759157677
Energy: 1.5273564265433859
Energy: 1.6883377922138372
Energy: 1.5273564265427382
Energy: 1.6764801025465796
Energy: 1.5621546083120672
Energy: 1.688824472434929
Energy: 1.5621546083088282
Energy: 1.6478614644772624
Energy: 1.321632937358151
Energy: 1.6748509343201592
Energy: 1.3216329373587987
Energy: 1.2309449721814927
Energy: 1.3662614371375839
Energy: 1.709808245061798
Energy: 1.366261437136936
Energy: 1.3362875114111565
Energy: 1.566754923825677
Energy: 1.5006939967023794
Energy: 1.566754923825029
Energy: 1.8462806327502308
Energy: 1.6316586676467368
Energy: 1.6643492334925531
Energy: 1.6316586676473845
Energy: 1.3652748684826421
Energy: 1.594680558969661
Energy: 1.482625503250448
Energy: 1.5946805589690134
Energy: 1.8419718354132328
Energy: 1.4494371163597939
Energy: 1.2193605307753586
Energy: 1.4494371163572026
Energy: 1.6151349711512126
Energy: 1.2210716953959566
Energy: 1.3356313897540864
Energy: 1.2210716954121512
Energy: 1.6066155652816148
Energy: 1.658123459555089
Energy: 1.6248168701337595
Energy: 1.658123459555089
Energy: 1.6403720700454862
Energy: 1.6725702353568843
Energy: 1.5121126726847578
Energy: 1.6725702353568843
Energy: 1.32243461453838
Energy: 1.4937649981085206
Energy: 1.4507346898126503
Energy: 1.493764998107225
Energy: 1.241654747544948
Energy: 1.292052662525786
Energy: 1.7227175173212272
Energy: 1.292052662516069
Energy: 1.6561194010843407
Energy: 1.635347501498188
Energy: 1.9426708765319327
Energy: 1.6353475014613237
Energy: 1.4817424774553536
Energy: 1.5307226367096027
Energy: 1.868959478102678
Energy: 1.530722636708955
Energy: 1.3706459566659874
Energy: 1.5249372231310443
Energy: 1.5611285217827922
Energy: 1.5249372231329879
Energy: 1.6333625442679345
Energy: 1.5525031991455824
Energy: 1.2406997807950244
Energy: 1.5525031991468778
Energy: 1.685862985310091
Energy: 1.3219138002234831
Energy: 1.6833722027942726
Energy: 1.3219138002215398
Energy: 1.677882474281776
Energy: 1.5954552581327561
Energy: 1.6290419872824577
Energy: 1.5954552580964807
Energy: 1.7355528030624439
Energy: 1.2898074018109262
Energy: 1.316811523187762
Energy: 1.2898074018096306
Energy: 1.571985900065877
Energy: 1.4561440136304464
Energy: 1.3333546227625879
Energy: 1.4561440136310946
Energy: 1.6657731308535872
Energy: 1.6342282108365698
Energy: 1.782312128595686
Energy: 1.6342282108385129
Energy: 1.4732086528896005
Energy: 1.569554683272203
Energy: 1.364998149507126
Energy: 1.5695546832676686
Energy: 1.2986410488645157
Energy: 1.4483256353750138
Energy: 1.845585134488137
Energy: 1.4483256353750138
Energy: 1.3319515379223004
Energy: 1.2204472629931788
Energy: 1.7594852380981745
Energy: 1.2204472619876539
Energy: 1.5674067241254357
Energy: 1.6571848935006395
Energy: 1.5719358414679816
Energy: 1.657184893502583
Energy: 1.5129128899686943
Energy: 1.5441671294065196
Energy: 1.6463800438398983
Energy: 1.5441671294045762
Energy: 1.4459306099287619
Energy: 1.5645594745049094
Energy: 1.3248141523153036
Energy: 1.5645594745049094
Energy: 1.709978562624137
Energy: 1.2879308065364188
Energy: 1.2355348666670887
Energy: 1.2879308065370665
Energy: 1.965243200436809
Energy: 1.648299814775141
Energy: 1.6602721240586646
Energy: 1.6482998147764367

minimum gb energy = 1.2193605307753586 eV
minimum distance =  2.45519419350468 Angstroms
sigma value = 1


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

Energy: 1.5548467144558344
Energy: 1.4451879048089398
Energy: 1.6241491869722848
Energy: 1.5550287478642162
Energy: 1.817574158866453
Energy: 1.496696000339343
Energy: 1.4830157502141768
Energy: 1.4966960003366558
Energy: 1.5519710476982584
Energy: 1.518083686994367
Energy: 1.4223111926732894
Energy: 1.5180836869961583
Energy: 1.2053778594360334
Energy: 1.549978002762095
Energy: 1.6873775901936447
Energy: 1.549978002762095
Energy: 1.6527516230667119
Energy: 1.318819085379796
Energy: 1.7487188410750316
Energy: 1.3188190853806918
Energy: 1.4501532312357381
Energy: 1.3152414840038924
Energy: 1.751895037878065
Energy: 1.3152414840038924
Energy: 1.1870508768977694
Energy: 1.2700169600777076
Energy: 1.6845674913386484
Energy: 1.2700169600750206
Energy: 1.3218354346519579
Energy: 1.3415386731675156
Energy: 1.5657931586686746
Energy: 1.3415386730627645
Energy: 1.8094404596461557
Energy: 1.477178796550271
Energy: 1.7143082832158298
Energy: 1.477178796550271
Energy: 1.3783598826168517
Energy: 1.3969559399486884
Energy: 1.5903489379547187
Energy: 1.3969559399567495
Energy: 1.8106303944519364
Energy: 1.5508234054554857
Energy: 1.1874633000915829
Energy: 1.550823405457277
Energy: 1.6535649612784074
Energy: 1.1914578362212702
Energy: 1.3958895669121838
Energy: 1.1914578362212702
Energy: 1.6218106396839815
Energy: 1.441679389000017
Energy: 1.6520194572012188
Energy: 1.4416793889991213
Energy: 1.5541387027234808
Energy: 1.5491172461868947
Energy: 1.4233206238165612
Energy: 1.549117246191373
Energy: 1.3260894880625753
Energy: 1.4653811103177556
Energy: 1.4530791076401006
Energy: 1.4653811103159642
Energy: 1.3349649275150026
Energy: 1.4736740728746136
Energy: 1.6654479583839727
Energy: 1.4736740728737179
Energy: 1.5860124442292622
Energy: 1.5871005833889538
Energy: 1.8827076014740352
Energy: 1.5871005833916407
Energy: 1.328914442249265
Energy: 1.1947461298435453
Energy: 1.7415445700565937
Energy: 1.1947461302902747
Energy: 1.1950680723414309
Energy: 1.2700635449569222
Energy: 1.7131331213819236
Energy: 1.2700635449587134
Energy: 1.3264748949484737
Energy: 1.558150731134753
Energy: 1.562554580261628
Energy: 1.5581507311374403
Energy: 1.5444075798927976
Energy: 1.6443338008187935
Energy: 1.5964204947270988
Energy: 1.6443338008161066
Energy: 1.4441180935454858
Energy: 1.5082045836563611
Energy: 1.325007627113473
Energy: 1.5082045836581524
Energy: 1.7711580021169626
Energy: 1.4943474758689992
Energy: 1.1896279144894386
Energy: 1.4943474758672077
Energy: 1.6217820624382298
Energy: 1.5285151103606125
Energy: 1.5804180736181488
Energy: 1.5285151103615082

minimum gb energy = 1.1870508768977694 eV
minimum distance =  2.50356764285144 Angstroms
sigma value = 17


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

Energy: 1.640085059176045
Energy: 1.5439688925710762
Energy: 1.6607476516591135
Energy: 1.6264559505888
Energy: 1.7197891030319292
Energy: 1.186390702490049
Energy: 1.5289632424427733
Energy: 1.1863907024922633
Energy: 1.5541251433715915
Energy: 1.5156712076497834
Energy: 1.3375115941996776
Energy: 1.5156712076508905
Energy: 1.4128962759203005
Energy: 1.680923233320381
Energy: 1.5749227581423937
Energy: 1.6809232333198778
Energy: 1.627312229403322
Energy: 1.5765395347368847
Energy: 1.623429249155133
Energy: 1.5765395347435276
Energy: 1.3863244885550354
Energy: 1.3913998934758938
Energy: 1.7799130482320928
Energy: 1.3913998934763971
Energy: 1.1762229970368612
Energy: 1.1777835839769302
Energy: 1.779463787249788
Energy: 1.1777835839769302
Energy: 1.4783285962236172
Energy: 1.5157498853648526
Energy: 1.6447791551815192
Energy: 1.5157498853637452
Energy: 1.6932677247783665
Energy: 1.4317064405273474
Energy: 1.8271928721779247
Energy: 1.431706440530669
Energy: 1.3002300461173804
Energy: 1.5382747352749255
Energy: 1.4963830690707407
Energy: 1.5382747352749255
Energy: 1.6749449665476246
Energy: 1.4774724412612554
Energy: 1.1934979311230596
Energy: 1.4774724412623623
Energy: 1.7953766466121497
Energy: 1.2623461902607587
Energy: 1.6182143688130783
Energy: 1.2623461902623692
Energy: 1.764304064171403
Energy: 1.4270047755548547
Energy: 1.6243320911972476
Energy: 1.4270047755526407
Energy: 1.738114609325885
Energy: 1.2790309892528893
Energy: 1.2595321477309023
Energy: 1.2790309892517824
Energy: 1.5366958986338688
Energy: 1.5220072780724383
Energy: 1.2451023133680383
Energy: 1.522007278074149
Energy: 1.7432303468151071
Energy: 1.5564303200726362
Energy: 1.687297643474597
Energy: 1.5564303200704217
Energy: 1.449985722481067
Energy: 1.4713362290664482
Energy: 1.5245814228869277
Energy: 1.471336229064234
Energy: 1.2298162912040915
Energy: 1.5058182253000176
Energy: 1.7927099773515662
Energy: 1.5058182252966963
Energy: 1.3671559215336748
Energy: 1.1893546060011113
Energy: 1.82253778641475
Energy: 1.1893546060005074
Energy: 1.6700294014321135
Energy: 1.6100341493717192
Energy: 1.7337772835449494
Energy: 1.6100341493661834
Energy: 1.4597904584437398
Energy: 1.4623379737413837
Energy: 1.7094377257134736
Energy: 1.4623379737458126
Energy: 1.362989747564095
Energy: 1.515538584761297
Energy: 1.5500616654360075
Energy: 1.515538584761297
Energy: 1.6054560824969601
Energy: 1.7036198931303426
Energy: 1.5178524831927749
Energy: 1.7036198931314497
Energy: 1.6302566919146921
Energy: 1.6594558516511921
Energy: 1.6235841558008193
Energy: 1.659455851648978
Energy: 1.7771626990364142
Energy: 1.370286602535651
Energy: 1.329887280521962
Energy: 1.3702866024581486
Energy: 1.8270860201247514
Energy: 1.1766967284613572
Energy: 1.180252731172642
Energy: 1.1766967284652825
Energy: 1.6410249429318933
Energy: 1.51616946007508
Energy: 1.5128448573965851
Energy: 1.51616946003804
Energy: 1.8526637380089856
Energy: 1.4099373562449697
Energy: 1.655665632687899
Energy: 1.4099373562505055
Energy: 1.4922114429951194
Energy: 1.5135050477679328
Energy: 1.3791295938622015
Energy: 1.5135050477679328
Energy: 1.1959205162125452
Energy: 1.5022657640760604
Energy: 1.714853262820123
Energy: 1.5022657640733428
Energy: 1.699188728436231
Energy: 1.2628417812856845
Energy: 1.7816644942391584
Energy: 1.2628417812862882
Energy: 1.5527966562792646
Energy: 1.2633652714565526
Energy: 1.7507520306462236
Energy: 1.263365271458264
Energy: 1.257035776421791
Energy: 1.2799928412613693
Energy: 1.6809739372365984
Energy: 1.279992841265798
Energy: 1.406150110041904
Energy: 1.367376159606169
Energy: 1.4873989213291798
Energy: 1.3673761595829188
Energy: 1.76255126914815
Energy: 1.6446492738903427
Energy: 1.7351237560807675
Energy: 1.6446492738887324
Energy: 1.5233281322031613
Energy: 1.4818358012444293
Energy: 1.4419428190305943
Energy: 1.4818358012455362
Energy: 1.7889813850030811
Energy: 1.3404101028125872
Energy: 1.1877173110975148
Energy: 1.3404101028136943
Energy: 1.8293476935795416
Energy: 1.1895816484724704
Energy: 1.4311000905625446
Energy: 1.189581648471967

minimum gb energy = 1.1762229970368612 eV
minimum distance =  2.46822369738759 Angstroms
sigma value = 89


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

Energy: 1.669302772578568
Energy: 1.4413434092577613
Energy: 1.4481550902272433
Energy: 1.3406327165387621
Energy: 1.5079035947762651
Energy: 1.4295626041658474
Energy: 1.3730786266147421
Energy: 1.4295626041643987
Energy: 1.369712105529954
Energy: 1.443852943189054
Energy: 1.369246228933305
Energy: 1.4438529431905025
Energy: 1.0713655824502084
Energy: 1.5136090465844085
Energy: 1.376516347748821
Energy: 1.5136090465844085
Energy: 1.4632253276435299
Energy: 1.364817003147144
Energy: 1.376507892247085
Energy: 1.364817003147144
Energy: 1.0792264222469121
Energy: 1.203504758091522
Energy: 1.4810241842082028
Energy: 1.203504758091522
Energy: 1.0770464019251562
Energy: 1.2012475919722236
Energy: 1.4800621173478532
Energy: 1.2012475919722236
Energy: 1.4472658011844757
Energy: 1.1963076234260157
Energy: 1.6739068894877123
Energy: 1.196307623424567
Energy: 1.3617052007005976
Energy: 1.4309741909630112
Energy: 1.6439688308711333
Energy: 1.4309741909615628
Energy: 1.3753551005085292
Energy: 1.4258920875519907
Energy: 1.560581064629413
Energy: 1.4258920875519907
Energy: 1.4819180625025248
Energy: 1.3583332684079659
Energy: 1.0650619275778426
Energy: 1.3583332684079659
Energy: 1.5958424897807937
Energy: 1.077853759511914
Energy: 1.4200715322328874
Energy: 1.0778537610726742
Energy: 1.3711339479563096
Energy: 1.2518083984196593
Energy: 1.337955850392306
Energy: 1.2518083984269015
Energy: 1.4743764832541075
Energy: 1.2012185077743702
Energy: 1.075099858448323
Energy: 1.2012185077743702
Energy: 1.643038228847541
Energy: 1.1968077423461763
Energy: 1.4754000614136544
Energy: 1.196807742363558

minimum gb energy = 1.0650619275778426 eV
minimum distance =  2.49453400783806 Angstroms
sigma value = 13


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

Energy: 1.5216619438456336
Energy: 1.242518179387416
Energy: 1.5691637705957784
Energy: 1.4274859798634623
Energy: 1.7211866533248905
Energy: 1.0802067271499949
Energy: 1.3198567258095772
Energy: 1.0802067271445313
Energy: 1.5614191272081654
Energy: 1.420190671836807
Energy: 1.2132214018812275
Energy: 1.4201906718301287
Energy: 1.3471245560136018
Energy: 1.6842577573419932
Energy: 1.2763983229149736
Energy: 1.6842577573438147
Energy: 1.585519661732879
Energy: 1.6467409304054756
Energy: 1.4760354808571705
Energy: 1.6467409304030474
Energy: 1.241307035598148
Energy: 1.401114930363466
Energy: 1.4898991478437926
Energy: 1.4011149303658945
Energy: 1.2809105393712736
Energy: 1.1714716102078508
Energy: 1.6479535548430562
Energy: 1.171471610208458
Energy: 1.6478509998411144
Energy: 1.6456557293294316
Energy: 1.6885957621867294
Energy: 1.6456557293324672
Energy: 1.2915891753833872
Energy: 1.150522542149587
Energy: 1.754360832569116
Energy: 1.15052254214898
Energy: 1.0847857111179076
Energy: 1.1715076241542266
Energy: 1.70235311978267
Energy: 1.171507624155441
Energy: 1.2287413263831595
Energy: 1.2292212123801005
Energy: 1.5226541566094538
Energy: 1.229221213436026
Energy: 1.4571248031567778
Energy: 1.3440554220412981
Energy: 1.6198976006696673
Energy: 1.3440554220443337
Energy: 1.4411451686039256
Energy: 1.4980817323881814
Energy: 1.5167598203218249
Energy: 1.4980817323881814
Energy: 1.5504133661973032
Energy: 1.659049968708055
Energy: 1.2760543119816266
Energy: 1.6590499687074478
Energy: 1.6424059641904358
Energy: 1.4931224688126092
Energy: 1.6754756959935784
Energy: 1.4931224688113953
Energy: 1.661624286715464
Energy: 1.2808121309844216
Energy: 1.150009312776688
Energy: 1.2808121309783502
Energy: 1.6460783909343588
Energy: 1.1215394011251658
Energy: 1.2066955148258438
Energy: 1.121539401092989
Energy: 1.6076392798892827
Energy: 1.2756693520688196
Energy: 1.4416846091133344
Energy: 1.2756693501360103
Energy: 1.7486865638049094
Energy: 1.081135089194761
Energy: 1.359105203977073
Energy: 1.0811350891905112
Energy: 1.7010568638060202
Energy: 1.3960065163086015
Energy: 1.178034813827858
Energy: 1.3960065163086015
Energy: 1.2707513488051354
Energy: 1.4001283181988338
Energy: 1.274605984205815
Energy: 1.400128318153963
Energy: 1.6605276170683838
Energy: 1.4668910615144244
Energy: 1.4909295957798971
Energy: 1.4668910615101745
Energy: 1.247547367421095
Energy: 1.3950478603381602
Energy: 1.4702771981789118
Energy: 1.3950478603381602
Energy: 1.1490902326859271
Energy: 1.1697531471194402
Energy: 1.6421572680297922
Energy: 1.1697531471794886
Energy: 1.6429459507688233
Energy: 1.4767277471091382
Energy: 1.680966558868301
Energy: 1.4767277475812473
Energy: 1.3005005804659355
Energy: 1.1520330319665775
Energy: 1.657484011255638
Energy: 1.152033031947757
Energy: 1.0794897944896902
Energy: 1.168848504543797
Energy: 1.6498568095080548
Energy: 1.1688485045413688
Energy: 1.1334764809113642
Energy: 1.2287139147470774
Energy: 1.527105772587396
Energy: 1.2287139148217516
Energy: 1.5234875279045317
Energy: 1.2376316812434536
Energy: 1.7425649218850257
Energy: 1.2376316812440606
Energy: 1.2497083118407082
Energy: 1.5486103054359688
Energy: 1.5801366895385118
Energy: 1.5486103054335405
Energy: 1.5483285344787363
Energy: 1.544990766558308
Energy: 1.2712236056205084
Energy: 1.544990766561951
Energy: 1.6971624215007437
Energy: 1.2714821427265282
Energy: 1.5714236908597834
Energy: 1.2714821427180283
Energy: 1.64439542383082
Energy: 1.2722194204944035
Energy: 1.1340134173351135
Energy: 1.2722194204937962
Energy: 1.614051371477357
Energy: 1.1695060300980404
Energy: 1.0797784051212358
Energy: 1.1695060300974336
Energy: 1.7415190697831906
Energy: 1.2621874188670708
Energy: 1.4290023131259872
Energy: 1.26218741887557

minimum gb energy = 1.0794897944896902 eV
minimum distance =  2.48017043461416 Angstroms
sigma value = 37


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

Energy: 1.33548683850368
Energy: 1.213027785840835
Energy: 1.3688553675410742
Energy: 1.4306908945969923
Energy: 1.6787992701957268
Energy: 1.3354212244393677
Energy: 1.2013039912316257
Energy: 1.3354212244393677
Energy: 1.4313539007365927
Energy: 1.3295801867754498
Energy: 1.2009088065965299
Energy: 1.3295801867764945
Energy: 1.3462833559747347
Energy: 1.6490852248884078
Energy: 1.627619254148532
Energy: 1.6490852248884078
Energy: 1.590352353602189
Energy: 1.3953897876382433
Energy: 1.2819446129411314
Energy: 1.3953897876361543
Energy: 1.2077667422069076
Energy: 1.3302564451454733
Energy: 1.3908553365095775
Energy: 1.330256445101604
Energy: 1.1130565356975564
Energy: 1.0029372301702146
Energy: 1.6006422162466756
Energy: 1.0029372301587725
Energy: 1.6371317459844452
Energy: 1.438724125001755
Energy: 1.6203112113758942
Energy: 1.438724125001755
Energy: 1.1113968774007648
Energy: 1.0779082943557536
Energy: 1.558036156146749
Energy: 1.077908294356798
Energy: 1.0035105975152865
Energy: 1.0773219998676324
Energy: 1.6521266830915586
Energy: 1.0773219998676324
Energy: 1.368855274688044
Energy: 1.4306908945959478
Energy: 1.3354868385047247
Energy: 1.213027785840835
Energy: 1.2013039912316257
Energy: 1.3354212244393677
Energy: 1.6787992701957268
Energy: 1.3354212244393677
Energy: 1.2009088065965299
Energy: 1.3295801867775388
Energy: 1.4313539007365927
Energy: 1.3295801867775388
Energy: 1.6276192541474874
Energy: 1.6490852248884078
Energy: 1.3462833559747347
Energy: 1.6490852248884078
Energy: 1.2819446129421759
Energy: 1.3953897876403323
Energy: 1.590352353602189
Energy: 1.3953897876413768
Energy: 1.3908553365095775
Energy: 1.3302564450702685
Energy: 1.207766742207952
Energy: 1.330256445118316
Energy: 1.6006422162466756
Energy: 1.002937230162903
Energy: 1.1130565356975564
Energy: 1.0029372301587725
Energy: 1.6203112113758942
Energy: 1.438724125001755
Energy: 1.6371317459865342
Energy: 1.4387241250090665
Energy: 1.558036156146749
Energy: 1.077908294356798
Energy: 1.1113968774007648
Energy: 1.077908294356798
Energy: 1.6521266830926031
Energy: 1.0773219998676324
Energy: 1.003510597514242
Energy: 1.0773219998676324

minimum gb energy = 1.0029372301587725 eV
minimum distance =  2.48921800380509 Angstroms
sigma value = 25


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

Energy: 1.542792707943722
Energy: 1.0995199387564274
Energy: 1.6115333576541606
Energy: 1.345948426009113
Energy: 1.5891574629908307
Energy: 1.2315283672215522
Energy: 1.1341450980098424
Energy: 1.2315283672215522
Energy: 1.5092775135875935
Energy: 1.2208394740211261
Energy: 1.0821319593399978
Energy: 1.2208394740203108
Energy: 1.2625759808765311
Energy: 1.569760420150128
Energy: 1.6112730590439188
Energy: 1.569760420150128
Energy: 1.584196240533444
Energy: 1.2669097423136892
Energy: 1.3509650511480804
Energy: 1.266909742314505
Energy: 1.311430162147972
Energy: 1.4096034414607232
Energy: 1.350703734734282
Energy: 1.4096034414599075
Energy: 1.2214351649796604
Energy: 1.488510614127198
Energy: 1.5861539056637344
Energy: 1.488510614127198
Energy: 1.564324158056419
Energy: 1.6721051799368045
Energy: 1.3596674112035312
Energy: 1.6721051799368045
Energy: 1.0818623953804687
Energy: 1.2331186635801759
Energy: 1.6453031103085316
Energy: 1.2331186635809914
Energy: 1.1576962280385725
Energy: 0.9819432878034788
Energy: 1.5951703653260005
Energy: 0.9819432878042944
Energy: 1.0089140147567222
Energy: 1.0619705101002008
Energy: 1.352877587415644
Energy: 1.0619705101059103
Energy: 1.010202896189987
Energy: 1.0310214708301164
Energy: 1.59498834985676
Energy: 1.031021470830932
Energy: 0.9320911261515072
Energy: 0.9844791369383572
Energy: 1.590984937482244
Energy: 0.9844791369399885
Energy: 1.3445113366873473
Energy: 1.366154393458843
Energy: 1.547374203178004
Energy: 1.3661543934482399
Energy: 1.0830324053295135
Energy: 1.2755193676099932
Energy: 1.5908517492939047
Energy: 1.2755193676075463
Energy: 1.1255336400249154
Energy: 1.2214978234240892
Energy: 1.4683321943533914
Energy: 1.2214978234281673
Energy: 1.6173969533790125
Energy: 1.509790963928534
Energy: 1.474311285310911
Energy: 1.5097909639269027
Energy: 1.126713631530233
Energy: 1.5767526065278163
Energy: 1.5752718975424593
Energy: 1.5767526065286317
Energy: 1.355067722013147
Energy: 1.41165520854009
Energy: 1.22166436934439
Energy: 1.4116552085384586
Energy: 1.5916980309476467
Energy: 1.4856471339662303
Energy: 1.2737767012352919
Energy: 1.4856471339670458
Energy: 1.3539798773866378
Energy: 1.3892370539097845
Energy: 1.5439776927395548
Energy: 1.389237053908153
Energy: 1.5768508043796592
Energy: 1.2204090320478787
Energy: 1.0079411484804155
Energy: 1.2204090320462473
Energy: 1.6358615142120665
Energy: 1.0606701229194488
Energy: 1.1664487191910167
Energy: 1.0606701229235271
Energy: 1.3510451507789492
Energy: 1.008691095081258
Energy: 1.0093052822971635
Energy: 1.008691095020939
Energy: 1.592870821822676
Energy: 1.0303726585241373
Energy: 1.007386996882438
Energy: 1.030372658526584
Energy: 1.485316646130404
Energy: 0.9856348964049793
Energy: 1.0072590431630544
Energy: 0.9856348964025324

minimum gb energy = 0.9320911261515072 eV
minimum distance =  2.48896516039378 Angstroms
sigma value = 41


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

Energy: 1.6706428621861624
Energy: 0.9954963914422885
Energy: 1.6061052512955591
Energy: 0.9658363858587412
Energy: 1.591377827795766
Energy: 1.154029387813558
Energy: 1.0866022563646303
Energy: 1.154029387813558
Energy: 1.5238784312904001
Energy: 1.18565799057976
Energy: 0.9919449753477323
Energy: 1.1856579905817661
Energy: 1.338111104714288
Energy: 1.3776643194890377
Energy: 1.5921379412629024
Energy: 1.3776643184477249
Energy: 1.5636896362910264
Energy: 1.4203274557507781
Energy: 1.203188793855518
Energy: 1.4203274557507781
Energy: 1.3002818603804394
Energy: 1.3267498212117208
Energy: 1.2071782682236398
Energy: 1.3267498212110522
Energy: 1.3022005678097968
Energy: 1.4504573899969724
Energy: 1.5469270928324212
Energy: 1.4504573899969724
Energy: 1.5468543374661878
Energy: 1.4023209922550604
Energy: 1.1923110543033055
Energy: 1.4023209922503794
Energy: 1.1420832922043451
Energy: 1.3779098178725357
Energy: 1.4079682686293886
Energy: 1.3779098178711982
Energy: 1.1438032719745168
Energy: 1.3581373315935026
Energy: 1.5697382013375105
Energy: 1.3581373315928336
Energy: 1.1349286021821263
Energy: 1.3331873530679712
Energy: 1.5037813585210418
Energy: 1.3331834469123844
Energy: 1.0149609895385117
Energy: 1.1165006239364828
Energy: 1.5706732171131228
Energy: 1.1165006239391575
Energy: 1.096269199043481
Energy: 1.1809168640938714
Energy: 1.5698306550118761
Energy: 1.1809168641680945
Energy: 0.9287910686538366
Energy: 0.9722327689908282
Energy: 1.4362894447426728
Energy: 0.9722327689921657
Energy: 0.9233817963431528
Energy: 0.9429929612859992
Energy: 1.583803614071762
Energy: 0.9429929612853306
Energy: 0.9226008372681043
Energy: 0.9070363949687716
Energy: 1.5086486601438365
Energy: 0.907036394972115
Energy: 1.0889849780753806
Energy: 1.1923843928385347
Energy: 1.5121540373153044
Energy: 1.1923843928378661
Energy: 0.955292236895143
Energy: 1.1592924157855489
Energy: 1.5843344193100175
Energy: 1.15929241578488
Energy: 0.9918081035130175
Energy: 1.1844191809524107
Energy: 1.3275056441254376
Energy: 1.1844191809544165
Energy: 1.3221615074336464
Energy: 1.3867719295557264
Energy: 1.3245410872969843
Energy: 1.3867719295550576
Energy: 1.1917123314788007
Energy: 1.3785881997840332
Energy: 1.5354579288966668
Energy: 1.3785881997840332
Energy: 1.22130782301136
Energy: 1.3379699961879181
Energy: 1.3067024896311517
Energy: 1.3379699961879181
Energy: 1.463503371227019
Energy: 1.4196854319469026
Energy: 1.3262800032836572
Energy: 1.4196854319469026
Energy: 1.193696795848882
Energy: 1.4020729587384249
Energy: 1.222198207854941
Energy: 1.40207295873575
Energy: 1.5520469311094809
Energy: 1.3283588600058736
Energy: 1.0440977411135564
Energy: 1.3283588600085483
Energy: 1.4279475592769009
Energy: 1.3646505618709597
Energy: 1.3146573646190376
Energy: 1.3646505618722968
Energy: 1.4079795124092054
Energy: 1.1158902638316253
Energy: 1.1225108187070953
Energy: 1.1158902645714863
Energy: 1.5842781807153519
Energy: 1.1344415491617426
Energy: 0.9848946224525215
Energy: 1.1344415491597364
Energy: 1.4309512163509421
Energy: 1.1764466665582465
Energy: 1.0913504839949957
Energy: 1.1764466819263326
Energy: 1.4078148336699172
Energy: 1.0558120655781291
Energy: 0.9231361213201268
Energy: 1.055812065578798
Energy: 1.5850731091754429
Energy: 0.9415286485411198
Energy: 0.9541604247471643
Energy: 0.9415286485411198
Energy: 1.5128035769594963
Energy: 0.9720171778965454
Energy: 0.9587407744583867
Energy: 0.9720171778784911

minimum gb energy = 0.9070363949687716 eV
minimum distance =  2.50567889903405 Angstroms
sigma value = 15


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

Energy: 1.4588665118049118
Energy: 0.9272438685667573
Energy: 0.9337239706801924
Energy: 0.9143235949176649
Energy: 1.5804499615884915
Energy: 1.0592318737276154
Energy: 0.9948122916293178
Energy: 1.0592318737293147
Energy: 1.5411481648798093
Energy: 1.0976120374584226
Energy: 0.9155531700127825
Energy: 1.097612037458989
Energy: 1.462617754569521
Energy: 1.269530790840559
Energy: 1.5650998099587132
Energy: 1.2695307928789008
Energy: 1.5537306712567092
Energy: 1.3224611837820082
Energy: 1.0918545890821427
Energy: 1.322461183781442
Energy: 1.3461810312103726
Energy: 1.308355736237016
Energy: 1.0980644084332791
Energy: 1.308355736237016
Energy: 1.2048099637485925
Energy: 1.343714841478676
Energy: 1.3683946954901802
Energy: 1.3437148414792426
Energy: 1.5039051139543271
Energy: 1.2908521439583347
Energy: 1.138581312983936
Energy: 1.2908521439526703
Energy: 1.2004342180064134
Energy: 1.2948891839075158
Energy: 1.2690203544459566
Energy: 1.294889183908649
Energy: 1.2003519233864797
Energy: 1.3042053955392119
Energy: 1.469729925653837
Energy: 1.3042053955375124
Energy: 1.1165370364110474
Energy: 1.2652210444568999
Energy: 1.3257781591563216
Energy: 1.2652210444574663
Energy: 1.0213651571325475
Energy: 1.267722716080978
Energy: 1.52814656213367
Energy: 1.2677227160792786
Energy: 1.1326942158727897
Energy: 1.2795196110578941
Energy: 1.465459186387407
Energy: 1.2795196110584608
Energy: 1.0139435197382274
Energy: 1.0811798153362349
Energy: 1.298256935394341
Energy: 1.081179815339067
Energy: 0.9027663454352785
Energy: 0.8374454209883718
Energy: 1.56211371512037
Energy: 0.8374454227464687
Energy: 1.0112525258195058
Energy: 1.0933539719198184
Energy: 1.4459453721118605
Energy: 1.093353971910755
Energy: 0.8564647442238333
Energy: 0.8915435959714396
Energy: 1.4371203297253325
Energy: 0.8915435958174129
Energy: 0.9239394707988744
Energy: 0.8707741712327312
Energy: 1.5709593178455206
Energy: 0.8707741712361299
Energy: 0.9670251040238861
Energy: 0.9686030934712485
Energy: 1.3683892181542736
Energy: 0.9686030934667167
Energy: 1.0084653865888682
Energy: 1.0788551852955994
Energy: 1.5223017748347045
Energy: 1.0788551851914219
Energy: 0.8787369066495694
Energy: 1.0798195879187655
Energy: 1.5713954924517561
Energy: 1.079819587484494
Energy: 0.9452830100392533
Energy: 1.086615261907546
Energy: 1.356495843924166
Energy: 1.0866152619018812
Energy: 1.1631553992114407
Energy: 1.2834854748693443
Energy: 1.3572099852020907
Energy: 1.2834854748682114
Energy: 1.0699738882569694
Energy: 1.2262595743462907
Energy: 1.5265957884342327
Energy: 1.2262595743445912
Energy: 1.09692770052471
Energy: 1.3305927875296129
Energy: 1.1916690660674276
Energy: 1.3305927875381098
Energy: 1.2741097134455195
Energy: 1.333425457856272
Energy: 1.4760385338369144
Energy: 1.33342545785344
Energy: 1.1203606035351326
Energy: 1.2962509983992163
Energy: 1.2941999166852787
Energy: 1.2962509984009156
Energy: 1.5062357281869936
Energy: 1.4751801872532757
Energy: 1.1924204988115816
Energy: 1.4751801872527093
Energy: 1.2895302426771555
Energy: 1.312781184986014
Energy: 1.3296317610437045
Energy: 1.3127811849848812
Energy: 1.2746664111306627
Energy: 1.2902273901638415
Energy: 1.1013612607832493
Energy: 1.2902273901604429
Energy: 1.5486062769289817
Energy: 1.2787311319521122
Energy: 1.0183905236076063
Energy: 1.2787311319515458
Energy: 1.3528949109554644
Energy: 1.275395208894952
Energy: 1.2140532341926926
Energy: 1.2753952088609641
Energy: 1.4283482109755596
Energy: 1.094534673089661
Energy: 0.9897219967792066
Energy: 1.0945346730862624
Energy: 1.57637523218167
Energy: 1.0608719027390923
Energy: 1.0010170028345318
Energy: 1.0608719027345603
Energy: 1.6061620786513386
Energy: 1.0738208950413768
Energy: 1.0191930481791205
Energy: 1.0738208899924357
Energy: 1.5611438125694952
Energy: 0.9620188006344116
Energy: 0.8640573641673215
Energy: 0.9620188006355445
Energy: 1.5348818644881304
Energy: 0.8711984726866432
Energy: 0.9378817808789811
Energy: 0.871198472682678

minimum gb energy = 0.8374454209883718 eV
minimum distance =  2.502114145021 Angstroms
sigma value = 85


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

Energy: 1.5927874022779978
Energy: 1.0202789448887777
Energy: 0.7959782576341815
Energy: 0.8056879597358513
Energy: 1.5377159507381835
Energy: 0.7734723309590913
Energy: 0.9310214029107444
Energy: 0.7734723309610565
Energy: 1.3881412904020092
Energy: 0.9790778986241065
Energy: 0.8358997284116062
Energy: 0.9790778986221413
Energy: 1.332063841568418
Energy: 1.1539184565750054
Energy: 1.0470349177313876
Energy: 1.153918456655533
Energy: 1.5208418175768204
Energy: 1.1957196844438538
Energy: 1.0825802603157093
Energy: 1.1957196844468017
Energy: 1.2513881284577657
Energy: 1.1885487168254534
Energy: 1.0111413891073933
Energy: 1.1885487169654276
Energy: 1.2561037759648659
Energy: 1.2334943023831637
Energy: 1.211994952665802
Energy: 1.2334943023821814
Energy: 1.4769078083823934
Energy: 1.2275251884988618
Energy: 1.0964543650852014
Energy: 1.227525188504266
Energy: 1.2461332482010905
Energy: 1.273693762963973
Energy: 1.1445994455672812
Energy: 1.2736937629615166
Energy: 1.2650552564378301
Energy: 1.262152412735777
Energy: 1.3274708922932557
Energy: 1.2621524127367596
Energy: 1.1412334520923397
Energy: 1.272592199692314
Energy: 1.23139536279108
Energy: 1.272592199775834
Energy: 1.107591955355579
Energy: 1.2328312199131164
Energy: 1.4684125450548433
Energy: 1.2328312199121336
Energy: 1.1797342069651366
Energy: 1.215598892758062
Energy: 1.325438710048046
Energy: 1.2155988927565882
Energy: 0.990978592680875
Energy: 1.2120701177646496
Energy: 1.2051598361590916
Energy: 1.2120701177661233
Energy: 0.9403450855586823
Energy: 1.1736419076441325
Energy: 1.5204216251758544
Energy: 1.1736419076441325
Energy: 1.0533011168463031
Energy: 1.155718113091946
Energy: 1.3257302309012353
Energy: 1.1557181130909635
Energy: 0.8741084324588321
Energy: 0.9218854451989623
Energy: 1.3198045005843586
Energy: 0.921885445196506
Energy: 0.9682186141513881
Energy: 0.9215595028273351
Energy: 1.5224674762578554
Energy: 0.9215595028258613
Energy: 0.8972003047108416
Energy: 0.933673846230153
Energy: 1.4614939401487959
Energy: 0.9336738462291705
Energy: 0.832542315958189
Energy: 0.7875935622318052
Energy: 1.4535815247893902
Energy: 0.7875935623020158
Energy: 0.8181063705569728
Energy: 0.8747395421599596
Energy: 1.5382827137429333
Energy: 0.8747395421903751
Energy: 0.822214301185875
Energy: 0.7955846384147368
Energy: 1.3547177839755613
Energy: 0.7955846377051284
Energy: 0.9565335467016326
Energy: 1.0366953817100295
Energy: 1.5060010012848357
Energy: 1.0366953816864475
Energy: 0.8861449541601053
Energy: 1.0692757689061905
Energy: 1.524431200152593
Energy: 1.069275768907173
Energy: 0.8802151944094695
Energy: 0.7559272995533387
Energy: 1.4031526214148828
Energy: 0.7559272997836668
Energy: 1.0405069325404883
Energy: 1.1472585211615567
Energy: 1.5020575374031955
Energy: 1.1472585211615567
Energy: 1.0111391132786514
Energy: 1.1701750012316363
Energy: 1.4163361232271656
Energy: 1.1701750012301624
Energy: 1.309183273968874
Energy: 1.2004868097444332
Energy: 1.349352109335019
Energy: 1.2004868098657384
Energy: 1.1505866819822042
Energy: 1.2496089243878632
Energy: 1.4358753826276467
Energy: 1.249608924388846
Energy: 1.1388033565957016
Energy: 1.2701359153911773
Energy: 1.249975799438122
Energy: 1.270135915390686
Energy: 1.3309324431031313
Energy: 1.2577492093913263
Energy: 1.1235003295598935
Energy: 1.2577492093908351
Energy: 1.1880155975000724
Energy: 1.2365468017660055
Energy: 1.469938144188445
Energy: 1.2365468017640848
Energy: 1.285732834396935
Energy: 1.2186328125887977
Energy: 1.1065957015154535
Energy: 1.2186328125887977
Energy: 1.4498864088936565
Energy: 1.220312854217115
Energy: 1.1293279681448882
Energy: 1.2203128542176065
Energy: 1.29548515469531
Energy: 1.234877318439336
Energy: 1.188319184131441
Energy: 1.2348773184373707
Energy: 1.478667859152143
Energy: 1.1728389244867934
Energy: 0.9669002695544535
Energy: 1.1728389244863022
Energy: 1.4826770598898622
Energy: 1.1564857990913224
Energy: 1.0440579061593656
Energy: 1.1564857990903399
Energy: 1.4711847231482846
Energy: 0.7666606103358095
Energy: 0.8705080867515169
Energy: 0.7666605930096271
Energy: 1.5172490173084154
Energy: 0.8090472478243759
Energy: 0.8335940058763238
Energy: 0.8090472479005267
Energy: 1.4641359780431737
Energy: 0.8440736392253305
Energy: 0.9001180552952153
Energy: 0.8440736392705296
Energy: 1.3212870360645828
Energy: 0.8089833516107959
Energy: 0.8123343445905347
Energy: 0.808983351596057
Energy: 1.5406620354257266
Energy: 0.7925879438697362
Energy: 0.8878067094468828
Energy: 0.7925879438712101
Energy: 1.3865003910678573
Energy: 0.8085731079138251
Energy: 0.8242788483529738
Energy: 0.8085731079108773

minimum gb energy = 0.7559272995533387 eV
minimum distance =  2.50170638857448 Angstroms
sigma value = 113


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

Energy: 0.02144218747991873
Energy: 0.023189488101667446
Energy: 1.134546331619034
Energy: 0.6864997953525114
Energy: 0.02240503852631182
Energy: 0.14893978511036718
Energy: 0.5963768887011197
Energy: 0.1489397851096118
Energy: 0.022332635204173994
Energy: 0.14695793158434478
Energy: 0.5936976685878481
Energy: 0.14695793158358944
Energy: 0.02461651524227216
Energy: 0.14659643170076533
Energy: 1.1366392291077319
Energy: 0.14659643170147874
Energy: 0.5967212861030645
Energy: 0.14936501314593395
Energy: 0.5960208996355083
Energy: 0.14936501314517858
Energy: 0.022071690284506788
Energy: 0.14630067478574096
Energy: 0.5930523957217647
Energy: 0.14630067478536327

minimum gb energy = 0.02144218747991873 eV
minimum distance =  2.7355618853849 Angstroms
sigma value = 1