Model name: model_name=SNAP_LiHuChen_2018_NiMo__MO_468686727341_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.17069959640503
cohesive_energy=3.1278918027780973
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-9.379782886089599e-20, -1.472461209358092e-19, -1.64482657599708e-19, -1.4656247216608139e-19, -1.0237572234166859e-19, -4.3338397296709794e-20, 2.1723752762742598e-20, 8.702142278739299e-20, 1.490991984306936e-19, 2.06089582608054e-19, 2.5714774758036596e-19, 3.0205515645475197e-19, 3.4098484430768396e-19, 3.7431492482478595e-19, 4.0253245970279397e-19, 4.2616136070102593e-19, 4.45719130872264e-19, 4.61692831913244e-19, 4.74515051515146e-19, 4.84575118600032e-19, 4.921502097255839e-19, 4.97261153188044e-19, 5.00170705955388e-19, 5.0110477493301e-19, 5.001162319498319e-19, 4.96945524391146e-19, 4.91225753807766e-19, 4.825195259786099e-19, 4.7029491826119e-19, 4.53906253472004e-19, 4.3255564764732e-19, 4.0524494474415595e-19, 3.70713231751554e-19, 3.27375955978488e-19, 2.7331050546415797e-19, 2.0627703727423198e-19, 1.2388029734087998e-19, 2.3867465099034595e-20, -9.71021579508576e-20, -2.4063090866046e-19, -4.06662871065246e-19, -5.97313879628076e-19, -8.187154643272678e-19, -1.0826804734853039e-18, -1.4047339986856438e-18, -1.79400524238882e-18, -2.2418616768908397e-18, -2.74367942042598e-18, -3.3508242558802798e-18, -4.0882420734451195e-18, -4.74305166376092e-18, -5.738740354726559e-18, -9.74049693346836e-18, -2.24165339392842e-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: -7.72422066253157 eV

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

Energy: 0.007840237117863053
Energy: 0.008608808401346845
Energy: 0.22436908251893495
Energy: 0.22413395721097829
Energy: 0.22487812730401693
Energy: 0.00857505263584069
Energy: 0.00860880842206936
Energy: 1.7028117313007292
Energy: 0.223815134743581
Energy: 0.2243093576635885
Energy: 0.22402045335885026
Energy: 0.22415009595054416
Energy: 0.22436953762731512
Energy: 0.22382656070337134
Energy: 1.7029640139430116
Energy: 0.008679528255945082
Energy: 0.22388501168570407
Energy: 0.22395542274967437
Energy: 0.22413599697788722
Energy: 0.22426138366757123
Energy: 0.008679528252355444
Energy: 0.008065405075579382
Energy: 0.2247654836880559
Energy: 0.22378876500977327
Energy: 0.22487812730401693
Energy: 0.22402146793854194
Energy: 0.22388770010068548
Energy: 0.22438172117275668
Energy: 0.2244428164080079
Energy: 0.22377168205547063
Energy: 0.008575052614325514
Energy: 0.22410567349262708
Energy: 0.22421555724654024
Energy: 0.22379262848681705
Energy: 0.2237719881914315
Energy: 0.008908887112264448

minimum gb energy = 0.007840237117863053 eV
minimum distance =  2.74106213179367 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 3.010489519083123
Energy: 2.337829348926483
Energy: 2.237818899689672
Energy: 2.241990981145042
Energy: 2.3394040751754495
Energy: 2.338464695698558
Energy: 2.199361848987549
Energy: 2.411940705289347
Energy: 2.231354976398734
Energy: 2.231498817962516
Energy: 2.3313276791910726
Energy: 2.27895515119288
Energy: 2.2356011487464547
Energy: 2.275041751294129
Energy: 2.3380252948548166
Energy: 2.4024781239439856
Energy: 2.337437963937149
Energy: 2.2357193039712464
Energy: 2.2293841145453555
Energy: 2.2673176673469473
Energy: 2.374020361226535
Energy: 2.3731055066849622
Energy: 2.3368804919289374
Energy: 2.229821105121192
Energy: 2.234957978393413
Energy: 2.228765014258303
Energy: 2.2308272997933685
Energy: 2.2170297196793958
Energy: 2.3694241969301535
Energy: 2.2293938396763155
Energy: 2.336737916303846
Energy: 2.4308677582200766
Energy: 2.3484824160977045
Energy: 2.2302629312628937
Energy: 2.411500097378212
Energy: 2.429842509779668
Energy: 2.3338473461141214
Energy: 2.4274500274960817
Energy: 2.3414810635960874
Energy: 2.346530587318746
Energy: 2.4091383447575514
Energy: 2.4266036895911136
Energy: 2.4416708421701085
Energy: 2.443012000729153
Energy: 2.40013767747154
Energy: 2.4063287309044337
Energy: 2.3499481582321384
Energy: 2.441312733994984
Energy: 2.2931462347378724
Energy: 2.3462741673645606
Energy: 2.3520568907968746
Energy: 2.3981882537402446
Energy: 2.3484881480356394
Energy: 2.3443922719643955
Energy: 2.1810324801808916
Energy: 2.3420590287349365
Energy: 2.357056501407331
Energy: 2.1706267874080782
Energy: 2.3422061583976492
Energy: 2.3429681480205833
Energy: 2.251267717094106
Energy: 2.1897151525444065
Energy: 2.1688072692009706
Energy: 2.2843399031639082
Energy: 2.1678907062882717
Energy: 2.1889111586383736
Energy: 2.1924151841769772
Energy: 2.1888433283637823
Energy: 2.362224232360011
Energy: 2.1683684914060337
Energy: 2.3628254382931626
Energy: 2.188500286735209
Energy: 2.187562850192768
Energy: 2.1879897713532244
Energy: 2.363150912794502
Energy: 2.177494974275877
Energy: 2.3631257275883675
Energy: 2.1878251687211483
Energy: 2.1880557538603695
Energy: 2.1922131353020777
Energy: 2.1688205920915604
Energy: 2.1784289896622555
Energy: 2.168153929729899
Energy: 2.1898599715929787
Energy: 2.312581631934149
Energy: 2.2837495018354437
Energy: 2.28637568348228
Energy: 2.170700233871386
Energy: 2.2815590516955453
Energy: 2.373491545564228
Energy: 2.3171928422690873
Energy: 2.282082878148003
Energy: 2.2780757710344623
Energy: 2.3094375713309256
Energy: 2.2819229907039738
Energy: 2.2972795675035975
Energy: 2.3374311553826783
Energy: 2.337795679467425
Energy: 2.389921144929517
Energy: 2.3866033099255652
Energy: 2.405448679526258
Energy: 2.338422152248093
Energy: 2.1922075224158517
Energy: 2.348500127598078
Energy: 2.4062460203452423
Energy: 2.4062948039921386
Energy: 2.4064226486177787
Energy: 2.349294554509425
Energy: 2.188713042357149
Energy: 2.347517980128474
Energy: 2.4985664302372426
Energy: 2.3581576141861755
Energy: 2.408986170181947
Energy: 2.352209203001317
Energy: 2.234472350938985
Energy: 2.336404091248381
Energy: 2.2692739212092747
Energy: 2.355569863446694
Energy: 2.400338357790057
Energy: 2.2356942626978356
Energy: 2.235764214541022
Energy: 2.3459064601162867
Energy: 2.3432167657683087
Energy: 2.3432652576342576
Energy: 2.397533076651485
Energy: 2.3290403883750948
Energy: 2.2355251612779847
Energy: 2.3577338529315117
Energy: 2.3958915585277265
Energy: 2.2929722241988233
Energy: 2.399908175682361
Energy: 2.236413937048543
Energy: 2.1998910466928225
Energy: 2.5497953672538785
Energy: 2.223344748200636
Energy: 2.223038505126506
Energy: 2.331243422324305
Energy: 2.2797094139034964

minimum gb energy = 2.1678907062882717 eV
minimum distance =  2.29616799862659 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 3.6949875879483542
Energy: 2.411402782724013
Energy: 2.2804390812140003
Energy: 2.283528108617599
Energy: 2.3621082377746943
Energy: 2.491227993538981
Energy: 2.4669527264273645
Energy: 2.719443785601834
Energy: 2.2766070948543735
Energy: 2.277989319514147
Energy: 2.341856158502177
Energy: 2.3567597585531495
Energy: 2.301132196896539
Energy: 2.355112574358994
Energy: 2.455042103350018
Energy: 2.257707668825208
Energy: 2.4543412590815787
Energy: 2.301629291371832
Energy: 2.281388650480018
Energy: 2.335461442949633
Energy: 2.455080059249384
Energy: 2.478299723972861
Energy: 2.4546140171850377
Energy: 2.28294889513838
Energy: 2.305427870650663
Energy: 2.282209450044799
Energy: 2.373004726466943
Energy: 2.465114828577414
Energy: 2.453943332490716
Energy: 2.2818916694688784
Energy: 2.277248913739249
Energy: 2.4614613889070767
Energy: 2.4778651076983422
Energy: 2.278753698444772
Energy: 2.461374096637056
Energy: 2.472853425705838
Energy: 2.2770464569787636
Energy: 2.461109613068561
Energy: 2.4709699647159526
Energy: 2.488785281502971
Energy: 2.462736918540922
Energy: 2.4719877256745884
Energy: 2.3732884901326243
Energy: 2.352644668389133
Energy: 2.2779042327154477
Energy: 2.277735822065647
Energy: 2.481215920269175
Energy: 2.2784211078884598
Energy: 2.299904123032192
Energy: 2.4549857724584765
Energy: 2.28521396998991
Energy: 2.2888101655919972
Energy: 2.4065322576989043
Energy: 2.477751804850138
Energy: 2.264646372123643
Energy: 2.4528680327912897
Energy: 2.2839301431011543
Energy: 2.303123787471325
Energy: 2.4160973982925795
Energy: 2.4918398223324845
Energy: 2.278371744032319
Energy: 2.3551241352393983
Energy: 2.3069558761073243
Energy: 2.30449396102881
Energy: 2.439644160112776
Energy: 2.367842310049807
Energy: 2.2800421982378998
Energy: 2.3394718575101274
Energy: 2.3419939065867563
Energy: 2.2558595097465592
Energy: 2.3406063460593893
Energy: 2.27657129050366
Energy: 2.2576404006406317
Energy: 2.3394116902913087
Energy: 2.3419846756244214
Energy: 2.25629567014329
Energy: 2.3414333874771502
Energy: 2.257706082524915
Energy: 2.3109551284836827
Energy: 2.26088419395719
Energy: 2.282208659111678
Energy: 2.3025337852324657
Energy: 2.4388117603875883
Energy: 2.2586033273391566
Energy: 2.2739851512412645
Energy: 2.4760286778676397
Energy: 2.412100409593765
Energy: 2.3017751987907196
Energy: 2.4490738566528627
Energy: 2.4763563449886328
Energy: 2.258152122134843
Energy: 2.4783833247972438
Energy: 2.4182834341107062
Energy: 2.4681858755482433
Energy: 2.4466482782867933
Energy: 2.5152302036413303
Energy: 2.4140261028803516
Energy: 2.3645520761342067
Energy: 2.2815597622480404
Energy: 2.3873065936816884
Energy: 2.412683708352335
Energy: 2.3616503511142586
Energy: 2.4522941548300876
Energy: 2.4790876418092616
Energy: 2.443297097008495
Energy: 2.4150488941081547
Energy: 2.483048344491397
Energy: 2.459039544428629
Energy: 2.2627588460527197
Energy: 2.4833584881797357
Energy: 2.443402407779575
Energy: 2.3017972066770973
Energy: 2.482122034178686
Energy: 2.4805030853764305
Energy: 2.2801675103481682
Energy: 2.2583304524667493
Energy: 2.357937218008481
Energy: 2.3041278522006494
Energy: 2.457914931372817
Energy: 2.261106303196104
Energy: 2.260305815144275
Energy: 2.2574411163241983
Energy: 2.4096583051601135
Energy: 2.4938311446350006
Energy: 2.3424008587190883
Energy: 2.2586696294376205
Energy: 2.2781082951616995
Energy: 2.2764370873269546
Energy: 2.5819303962862583
Energy: 2.298869713890887
Energy: 2.34287046655841
Energy: 2.278872853921195
Energy: 2.281273593675338
Energy: 2.4532994205724967
Energy: 2.3551292901651
Energy: 2.301181029813031
Energy: 2.45376072500384
Energy: 2.46271383319649
Energy: 2.257653016691428
Energy: 2.456109869256123
Energy: 2.3354199429435374
Energy: 2.2834471943236214
Energy: 2.4556366276974804
Energy: 2.4776884188418813
Energy: 2.4632872786702436
Energy: 2.450280699025863
Energy: 2.282055834106253
Energy: 2.281501014420615
Energy: 2.3371860806410782
Energy: 2.4633201046997275
Energy: 2.2780489752099196
Energy: 2.534741610564463
Energy: 2.477267558091359
Energy: 2.2817509130687115
Energy: 2.461961926278281
Energy: 2.277784139311093
Energy: 2.6291386056217765
Energy: 2.473342475460585
Energy: 2.470981379999629
Energy: 2.4006053770600335
Energy: 2.4612886064194774
Energy: 2.470679989875051
Energy: 2.2833798285165314
Energy: 2.479150902534362
Energy: 2.2775438406005812
Energy: 2.2774246826247744
Energy: 2.461459045307065
Energy: 2.2780875558295923
Energy: 2.2813769626283915
Energy: 2.410798703529333
Energy: 2.3417222575569503
Energy: 2.3749632880892912
Energy: 2.4529153657233826
Energy: 2.2849436930008613
Energy: 2.3037567289928393
Energy: 2.4141384156113577
Energy: 2.4903869717270015
Energy: 2.459789007676811
Energy: 2.4534725469080834
Energy: 2.2846029231753473
Energy: 2.3009726581047363
Energy: 2.4372078066388703
Energy: 2.352931250237675
Energy: 2.2783237955110582
Energy: 2.454281702244515
Energy: 2.30414369618656
Energy: 2.3753901794026517
Energy: 2.341933572485677
Energy: 2.2764572508665117
Energy: 2.2762259056938188
Energy: 2.3401378156441
Energy: 2.4552536264605376
Energy: 2.2561410652117044
Energy: 2.342785885778511
Energy: 2.2579027107735117
Energy: 2.2594318674470233
Energy: 2.3397313851021195
Energy: 2.454795283269211
Energy: 2.3027827576250144
Energy: 2.440188818790152
Energy: 2.257869221263075
Energy: 2.277675277634769
Energy: 2.2587938094262494
Energy: 2.305271638683615
Energy: 2.3007850816897495
Energy: 2.4498887282802224
Energy: 2.4786183620070843
Energy: 2.440488029457035
Energy: 2.4786183218561693
Energy: 2.282211043722862
Energy: 2.4718756033061906
Energy: 2.4424360034904438
Energy: 2.481164997355991
Energy: 2.3106076301086658
Energy: 2.481980635164134
Energy: 2.4133272829572046
Energy: 2.3250828337087572
Energy: 2.3868897932661493
Energy: 2.3115393647450544
Energy: 2.3105077549609834
Energy: 2.309468311850654
Energy: 2.3888011447845248
Energy: 2.3008029631779063
Energy: 2.44689649353319
Energy: 2.483705401224377
Energy: 2.2646167011658984
Energy: 2.47933064273483
Energy: 2.419815852267948
Energy: 2.3028778652719843
Energy: 2.442924818101125
Energy: 2.4781674912278358
Energy: 2.266607493464499
Energy: 2.477366021957301
Energy: 2.4174982635577345
Energy: 2.301340302144767
Energy: 2.3345543589174618
Energy: 2.2584122179481163
Energy: 2.284309639506803
Energy: 2.258830764806377
Energy: 2.305720797212149
Energy: 2.246597955742366
Energy: 2.3415540408196507
Energy: 2.2584418239257342
Energy: 2.2598058198963695
Energy: 2.3393326175641467
Energy: 2.494691336417172

minimum gb energy = 2.246597955742366 eV
minimum distance =  2.32906983729692 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 3.462360169335893
Energy: 2.5314592976536594
Energy: 2.3719252491991583
Energy: 2.3655060823358447
Energy: 2.4609681928508302
Energy: 2.531394654381932
Energy: 2.299078482815258
Energy: 2.543195001810915
Energy: 2.3442586559605796
Energy: 2.338533835025138
Energy: 2.4309033113278096
Energy: 2.436536608028794
Energy: 2.333560359523105
Energy: 2.4296780413789207
Energy: 2.430949370488429
Energy: 2.3256125217677357
Energy: 2.4296683408890605
Energy: 2.3414800813881316
Energy: 2.322900722076208
Energy: 2.429286771070352
Energy: 2.4314609082670477
Energy: 2.5152516113962364
Energy: 2.4300896107432752
Energy: 2.4293535549298584
Energy: 2.3209457561256706
Energy: 2.4313542112378563
Energy: 2.421747705122372
Energy: 2.4151023018905406
Energy: 2.5541577815152947
Energy: 2.3287862253899196
Energy: 2.352173473656746
Energy: 2.546741178252461
Energy: 2.3443346618156173
Energy: 2.3403238391563344
Energy: 2.5504865881426175
Energy: 2.5201008641488323
Energy: 2.3521465404995974
Energy: 2.5471872361246484
Energy: 2.5183291719285674
Energy: 2.3742064054099923
Energy: 2.5526153805656278
Energy: 2.519996822841105
Energy: 2.3518012612108947
Energy: 2.4326944923619847
Energy: 2.3455046193381084
Energy: 2.3401120364736436
Energy: 2.5305842500293343
Energy: 2.340378688126796
Energy: 2.2639602444415474
Energy: 2.429994557481462
Energy: 2.33205768810685
Energy: 2.3270770454677936
Energy: 2.4297173738069655
Energy: 2.467846608393966
Energy: 2.258745363176958
Energy: 2.4294933249182113
Energy: 2.3448742366627155
Energy: 2.3385215012930365
Energy: 2.4300476544020073
Energy: 2.5330006090818675
Energy: 2.3527860809053696
Energy: 2.4393972387439007
Energy: 2.345706931574133
Energy: 2.337706932456585
Energy: 2.432328390353251
Energy: 2.3425963039766193
Energy: 2.335159177801842
Energy: 2.4298125109469675
Energy: 2.430405063960473
Energy: 2.3266211152280993
Energy: 2.4297107363661885
Energy: 2.3408742869820136
Energy: 2.318200304793691
Energy: 2.4300507506245017
Energy: 2.4306282898645852
Energy: 2.326850343086556
Energy: 2.4302399587647883
Energy: 2.430805526279079
Energy: 2.31962113291681
Energy: 2.3606328008610715
Energy: 2.422463403939898
Energy: 2.4163496782299045
Energy: 2.439118852495787
Energy: 2.3275288869665474
Energy: 2.3530971312271522
Energy: 2.5454045230238083
Energy: 2.527791823086506
Energy: 2.3679727138237077
Energy: 2.5499222684857674
Energy: 2.520247038367847
Energy: 2.3356523698253633
Energy: 2.547027180352231
Energy: 2.522964672832015
Energy: 2.3768495516518504
Energy: 2.5490441847809198
Energy: 2.3436941406618694
Energy: 2.322413042009193
Energy: 2.4389175855547824
Energy: 2.326294173832426
Energy: 2.327550243279
Energy: 2.3619263530883368
Energy: 2.420863399644895
Energy: 2.258909801229685
Energy: 2.429144067127842
Energy: 2.331452223102791
Energy: 2.3221402161748363
Energy: 2.429809424169971
Energy: 2.535377042338428

minimum gb energy = 2.258745363176958 eV
minimum distance =  2.32948871705202 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 3.2733107647393873
Energy: 2.609957800590531
Energy: 2.4244256241562447
Energy: 2.4224096339621046
Energy: 2.5497721044995423
Energy: 2.6109549235413545
Energy: 2.4391851743655355
Energy: 2.68368509521096
Energy: 2.3885299590464304
Energy: 2.3869189195170195
Energy: 2.4586689447949435
Energy: 2.451802494922376
Energy: 2.4537753161277203
Energy: 2.5788558144346445
Energy: 2.6561900016483797
Energy: 2.4493823137475057
Energy: 2.6557801824510845
Energy: 2.5456915570204983
Energy: 2.5045137982726686
Energy: 2.535490076775815
Energy: 2.6574421211224166
Energy: 2.5446500962982634
Energy: 2.6569923432960305
Energy: 2.535118974813799
Energy: 2.4498770171039443
Energy: 2.537772194348664
Energy: 2.4128042980607183
Energy: 2.413047493870318
Energy: 2.655341657340565
Energy: 2.510908730040384
Energy: 2.510062294788461
Energy: 2.6165599083680893
Energy: 2.509024198846115
Energy: 2.412191909511387
Energy: 2.655966298328437
Energy: 2.5118998687827214
Energy: 2.514201225236427
Energy: 2.6149228565980205
Energy: 2.724627460939295
Energy: 2.724591692607101
Energy: 2.6741491291910036
Energy: 2.5113337966769027
Energy: 2.4484994604128163
Energy: 2.6327722962690636
Energy: 2.5085365446437224
Energy: 2.448129015927241
Energy: 2.6562745775586456
Energy: 2.4532015986463014
Energy: 2.4411739854530015
Energy: 2.459795303503861
Energy: 2.3882295925540142
Energy: 2.387635175965511
Energy: 2.4584296659009954
Energy: 2.6901375512657433
Energy: 2.3806148114982366
Energy: 2.4598085710087014
Energy: 2.4590289816955426
Energy: 2.347802050458037
Energy: 2.459058768943789
Energy: 2.656367336305231
Energy: 2.396825479667954
Energy: 2.6333660544073108
Energy: 2.3489001935842486
Energy: 2.3468853678104695
Energy: 2.508277549870845
Energy: 2.3980261515698866
Energy: 2.4300699546041327
Energy: 2.725814346509718
Energy: 2.7173576031665685
Energy: 2.3975133158127755
Energy: 2.730854227783273
Energy: 2.428201959051264
Energy: 2.6358543558251304
Energy: 2.7165455008881363
Energy: 2.719021781483732
Energy: 2.3977697682875156
Energy: 2.7322615532330046
Energy: 2.7340139496069997
Energy: 2.428335555088423
Energy: 2.4295742218552743
Energy: 2.4285927770294666
Energy: 2.3996286100500193
Energy: 2.6572331414812314
Energy: 2.429569404474745
Energy: 2.3472852739283008
Energy: 2.347515248081453
Energy: 2.5089208027471908
Energy: 2.4366092701314477
Energy: 2.4599020204218855
Energy: 2.3479514452537624
Energy: 2.387158281572179
Energy: 2.3883370238535404
Energy: 2.5620455814564744
Energy: 2.4072765994237963
Energy: 2.4594989225727666
Energy: 2.38818576061796
Energy: 2.447719175554353
Energy: 2.448011169377454
Energy: 2.5785133978934334
Energy: 2.449998251400965
Energy: 2.655848427276842
Energy: 2.448328092548087
Energy: 2.3391547093195135
Energy: 2.656347006074126
Energy: 2.5780527244181064
Energy: 2.4545784600428626
Energy: 2.657116510608115
Energy: 2.6560858185573357
Energy: 2.3389855141625095
Energy: 2.655967597295924
Energy: 2.5332605858297663
Energy: 2.5080651021390707
Energy: 2.6577251589936934
Energy: 2.6559495837038707
Energy: 2.412382827126614
Energy: 2.507851555360104
Energy: 2.453671717328967
Energy: 2.4550220449664284
Energy: 2.546697300377618
Energy: 2.412171938645004
Energy: 2.409594360791168
Energy: 2.6563329025766165
Energy: 2.617271082024525
Energy: 2.507480333536695
Energy: 2.616185244756998
Energy: 2.656310400848322
Energy: 2.323130946913678
Energy: 2.657121121217343
Energy: 2.5460597380393053
Energy: 2.548861918248226
Energy: 2.633963738124072
Energy: 2.7274976280521344
Energy: 2.376978875016824
Energy: 2.5085447243296306
Energy: 2.4531915591811
Energy: 2.4497866474344843
Energy: 2.6340258230744213
Energy: 2.3876417583270215
Energy: 2.386635576076678
Energy: 2.4591184178719456
Energy: 2.6559572475497437
Energy: 2.440753567407909
Energy: 2.460707144868702
Energy: 2.388162795108206
Energy: 2.3462167001226955
Energy: 2.458030758542012
Energy: 2.4596579394320015
Energy: 2.441822761025212
Energy: 2.459474837567125
Energy: 2.346955616126984
Energy: 2.4279856783908493
Energy: 2.429035639782012
Energy: 2.4276581295296835
Energy: 2.397827437784298
Energy: 2.63392396635815
Energy: 2.4289129832210183
Energy: 2.3976773811922087
Energy: 2.716161070246137
Energy: 2.737828319807379
Energy: 2.3973822546783334
Energy: 2.7242380041109593
Energy: 2.7139001098463944
Energy: 2.4277731294805465
Energy: 2.724450744238858
Energy: 2.7157220305931333
Energy: 2.631529481569854
Energy: 2.7174101707306466
Energy: 2.4281702769689875
Energy: 2.3990659305289075
Energy: 2.599326452688083
Energy: 2.3992031483697276
Energy: 2.397897531769736
Energy: 2.399178260184914
Energy: 2.3983885984335696
Energy: 2.3205879540115566
Energy: 2.4608479824421883
Energy: 2.347834095172376
Energy: 2.3478940683455587
Energy: 2.459363515642598
Energy: 2.5620241274477036

minimum gb energy = 2.3205879540115566 eV
minimum distance =  2.26142071799393 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 2.7431316157869894
Energy: 2.690876903457099
Energy: 2.186398219055435
Energy: 2.10893409628478
Energy: 2.4430370118450453
Energy: 2.7549621242051088
Energy: 2.0881387362689376
Energy: 2.443270387058218
Energy: 2.1069842275453645
Energy: 2.1071935349491757
Energy: 2.10686376203582
Energy: 2.107461214393644
Energy: 2.1071020207328597
Energy: 2.4441495262962696
Energy: 2.301640920988691
Energy: 2.1062477851611097
Energy: 2.4402172032373777
Energy: 2.107588163071282
Energy: 2.088630284953043
Energy: 2.442692205943812
Energy: 2.444893336228085
Energy: 2.10666602480996
Energy: 2.4447087636618674
Energy: 2.445314010875305
Energy: 2.1839620666641064
Energy: 2.441939220988923
Energy: 2.1066865829678316
Energy: 2.1070504526028957
Energy: 2.4480367324550056
Energy: 2.1835717195954034
Energy: 2.1834782950549823
Energy: 2.1821985313277263
Energy: 2.4410977067742525
Energy: 2.1077512607167432
Energy: 2.304173327069658
Energy: 2.1832117290271684
Energy: 2.1081206300838655
Energy: 2.185724838560149
Energy: 2.747477867546525
Energy: 2.74699362025332
Energy: 2.454469442245443
Energy: 2.1832700883469682
Energy: 2.1051937269300955
Energy: 2.1066822822162092
Energy: 2.440386433317739
Energy: 2.107481735035085
Energy: 2.302117630731805
Energy: 2.10705880197501
Energy: 2.1071947845200034
Energy: 2.440402145384223
Energy: 2.1067743679821347
Energy: 2.1075016977248424
Energy: 2.4397043060596606
Energy: 2.302316634965393
Energy: 2.127681017825516
Energy: 2.444881831168151
Energy: 2.4461158592866528
Energy: 2.1833865736953135
Energy: 2.442988551186526
Energy: 2.4449478459664498
Energy: 2.1068895527128992
Energy: 2.441819844425357
Energy: 2.183976620741226
Energy: 2.1842275129702675
Energy: 2.4441221026256463
Energy: 2.1071165537237526
Energy: 2.0881387363046167
Energy: 2.444218379952046
Energy: 2.183597914736373
Energy: 2.1838452900078655
Energy: 2.444720670836083
Energy: 2.1079321718960196

minimum gb energy = 2.0881387362689376 eV
minimum distance =  2.52568929803041 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 3.464914821561044
Energy: 2.356722292459603
Energy: 2.323152504949818
Energy: 2.4765971192275207
Energy: 2.3201689712727043
Energy: 2.7502867622255263
Energy: 2.3696390669759966
Energy: 2.3194389756620075
Energy: 2.357471090314368
Energy: 2.358378433798163
Energy: 2.3568026265032342
Energy: 2.4011641095342338
Energy: 2.4015117546080487
Energy: 2.5702851237112014
Energy: 2.3188314935502174
Energy: 2.3568044804417094
Energy: 2.890288089624259
Energy: 2.400727155919768
Energy: 2.2826989901245085
Energy: 2.872217361341052
Energy: 2.3185674696152745
Energy: 2.358426779220642
Energy: 2.8922605032147772
Energy: 2.3228184511859613
Energy: 2.35552723620265
Energy: 2.3200012784918322
Energy: 2.4020220211642833
Energy: 2.4018666095742565
Energy: 2.894539085818064
Energy: 2.3185328003897134
Energy: 2.3587528708581678
Energy: 2.35614333937645
Energy: 2.3617598395562425
Energy: 2.401510620630298
Energy: 2.3187709651820394
Energy: 2.3570030948539147
Energy: 2.3197818578296467
Energy: 2.3203696003907095
Energy: 2.54813927207967
Energy: 2.668910884814551
Energy: 2.3184700816313653
Energy: 2.3209623284286667
Energy: 2.317570735258066
Energy: 2.3175450737007175
Energy: 2.3633438152522306
Energy: 2.401443840007701
Energy: 2.318352052997673
Energy: 2.319333686231146
Energy: 2.3183517121062645
Energy: 2.3204525781342213
Energy: 2.4016652982607893
Energy: 2.4017580123553826
Energy: 2.829638143963767
Energy: 2.319705557671383
Energy: 2.318643526457589
Energy: 2.736229239085739
Energy: 2.6164304883874254
Energy: 2.425030655996609
Energy: 2.828779373658043
Energy: 2.3197027081350003
Energy: 2.3730286735042703
Energy: 2.373380514174017
Energy: 2.659392830320905
Energy: 2.4242150270911638
Energy: 2.8305287732922686
Energy: 2.373344344821037
Energy: 2.3731100932019955
Energy: 2.736450469104596
Energy: 2.4019866072490625
Energy: 2.401451249590965
Energy: 2.569547918918451
Energy: 2.3729001126562324
Energy: 3.2706943469841936
Energy: 2.548123709908618
Energy: 2.368520528332841
Energy: 2.3696533272734577
Energy: 2.506850209818135
Energy: 2.616387857595334
Energy: 2.373081032792727
Energy: 2.6291709859765517
Energy: 2.372383690146605
Energy: 2.3694572539800407
Energy: 2.5482289495923367
Energy: 2.372838754602172
Energy: 2.3763290163472495
Energy: 2.845844438664332
Energy: 2.3685715288553477
Energy: 2.3720349908330003
Energy: 2.3690804342275986
Energy: 2.3735987062466646
Energy: 2.421961882505998
Energy: 2.6278661276651354
Energy: 2.3713396909272575
Energy: 2.3693603057506563
Energy: 2.5053958727547316
Energy: 2.7165824682037485
Energy: 2.3699321054776967
Energy: 2.6291334902696404
Energy: 2.4006263708185585
Energy: 2.401164632182473
Energy: 2.36246050110946
Energy: 2.8261418701415564
Energy: 2.3710850209526226
Energy: 2.37328161766454
Energy: 2.5356150286075625
Energy: 2.3996061285310866
Energy: 2.6602397110564024
Energy: 2.3730847664688497
Energy: 2.3176894000557975
Energy: 2.3197218164379536
Energy: 2.841332865917688
Energy: 2.354809335598204
Energy: 2.828749710004455
Energy: 2.3206695250548206
Energy: 2.3175518704831797
Energy: 2.647731340902875
Energy: 2.5867977820477153
Energy: 2.400263849210792
Energy: 2.831948277158485
Energy: 2.319557879234103
Energy: 2.3232434416527963
Energy: 2.3200579164103714
Energy: 2.3633743099384157
Energy: 2.4020926455770937
Energy: 2.5650985407235383
Energy: 2.319248812650301
Energy: 2.3202974586156433
Energy: 2.3203761216916146
Energy: 2.3460116150377313
Energy: 2.3685504357942646
Energy: 2.4126420630720657
Energy: 2.320145066965479
Energy: 2.357381705957234
Energy: 2.3580047594183258
Energy: 2.3190022412820195
Energy: 2.3688346341651827
Energy: 2.4115300767114376
Energy: 2.3589247092181638
Energy: 2.3580402651389187
Energy: 2.3179924111330186
Energy: 2.3619586405724293
Energy: 2.40417531103567
Energy: 2.862580355602933
Energy: 2.357408149551004
Energy: 2.3570803966757325
Energy: 2.8970816171150164
Energy: 2.3563899533517683
Energy: 2.3564116996724427
Energy: 2.894513405099204
Energy: 2.9185053498964395
Energy: 2.357150849138828
Energy: 2.7639260624308406
Energy: 2.6368481948843137
Energy: 2.2848350994985003
Energy: 2.885980640745375
Energy: 2.4011665798524904
Energy: 2.399673323232457
Energy: 2.764970685405927
Energy: 2.355989090784541
Energy: 2.356887592828803
Energy: 2.3182368231257486
Energy: 2.4022487148199425
Energy: 2.397872680301529
Energy: 2.3187974091800307
Energy: 2.357544510829255
Energy: 2.3584456354242818
Energy: 2.3176616402704036
Energy: 2.545410029527434
Energy: 2.3704209611814915
Energy: 2.3199296909591274
Energy: 2.3174611125607116
Energy: 2.3174765240350763
Energy: 2.3186960912439862
Energy: 2.6036435696244293
Energy: 2.4025848748801653
Energy: 2.5696067312271853
Energy: 2.3217882680885547
Energy: 2.3187896868133473
Energy: 2.3228339157526605
Energy: 2.401902475645919
Energy: 2.4240735593746194
Energy: 2.8279742790767464
Energy: 2.752974624865642
Energy: 2.3187594574526975
Energy: 2.795599838807225
Energy: 2.7188053555252893
Energy: 2.4240485612929272
Energy: 2.8299765286341594
Energy: 2.3730963435437755
Energy: 2.373728028072456
Energy: 2.7358623200217087
Energy: 2.4260432160584067
Energy: 2.40153418975923
Energy: 2.5704504477478123
Energy: 2.372896507476788
Energy: 2.3737241001303877
Energy: 2.736507248167685
Energy: 2.401447202086505
Energy: 2.4022280348671097
Energy: 2.4018677052479678
Energy: 2.632035788713066
Energy: 2.399396076361951
Energy: 2.62874706109177
Energy: 2.4023010799418176
Energy: 2.3700771441576935
Energy: 2.503426514552626
Energy: 2.54880560094251
Energy: 2.3981084438204885
Energy: 2.5472627432811548
Energy: 2.3694367430670766
Energy: 2.3668173256403664
Energy: 2.367578850517354
Energy: 2.373159845505349
Energy: 2.373375884035888
Energy: 2.7704411448440913
Energy: 2.3670240083915535
Energy: 2.4337036690474365
Energy: 2.5038783107717544
Energy: 2.686736653568122
Energy: 2.3703125441645994
Energy: 2.549279337960401
Energy: 2.369593020088125
Energy: 2.402174895685798
Energy: 2.4013031550711306
Energy: 2.7152450855104684
Energy: 2.423192970258355
Energy: 2.6283774470162435
Energy: 2.4005041969439684
Energy: 2.401104092608147
Energy: 2.361994235192219
Energy: 2.37305280669955
Energy: 2.3731318929485283
Energy: 2.7413304522762196
Energy: 2.4007595482708015
Energy: 2.355644485579289
Energy: 2.828943957560762
Energy: 2.3726576209590746
Energy: 2.3732777810154393
Energy: 2.7981344399930363
Energy: 2.6152187047053284
Energy: 2.3995323224954945
Energy: 2.8294615152782745
Energy: 2.318250527659668
Energy: 2.3187969765904013
Energy: 2.761747055355094
Energy: 2.6587364103489697
Energy: 2.4032906462137005
Energy: 2.5696453180942296
Energy: 2.3226356566686865
Energy: 2.318217533375202
Energy: 2.321085250901747
Energy: 2.400593311846123
Energy: 2.36896432869491
Energy: 2.3172366851840356
Energy: 2.317077730531971
Energy: 2.3178707776280634
Energy: 2.317539233293386
Energy: 2.346131815352875

minimum gb energy = 2.2826989901245085 eV
minimum distance =  2.31718485986284 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 3.2015434840382575
Energy: 2.9563890890830264
Energy: 2.212836695295128
Energy: 2.21365735416126
Energy: 2.2095425847994967
Energy: 2.954716981984117
Energy: 2.1561102178118716
Energy: 2.8832312374202735
Energy: 2.162606931651676
Energy: 2.1613018920813523
Energy: 2.512488949878925
Energy: 2.5136845262912786
Energy: 2.159120172627188
Energy: 2.594187415894748
Energy: 2.5107201499696497
Energy: 2.1600484981841173
Energy: 2.8815109814620845
Energy: 2.510368828507
Energy: 2.158442480508251
Energy: 2.5098429360933547
Energy: 2.8848329064780827
Energy: 2.1626019947476407
Energy: 2.8811469704957164
Energy: 2.15547177194249
Energy: 2.155821389442626
Energy: 2.509887064263552
Energy: 2.1598292097827176
Energy: 2.1618704815881977
Energy: 2.837642984974782
Energy: 2.511042352751494
Energy: 2.1589274973661956
Energy: 2.5095454600111333
Energy: 2.591143596591595
Energy: 2.160579261311206
Energy: 2.591521770588397
Energy: 2.1605179166729402
Energy: 2.2057436666516246
Energy: 2.5116920505823246
Energy: 2.511921307238997
Energy: 2.3907119761546163
Energy: 2.51371741385453
Energy: 2.2064529990088744
Energy: 2.2081737207867502
Energy: 2.50936854295744
Energy: 2.591018583860079
Energy: 2.160236279417219
Energy: 2.51031531959709
Energy: 2.21046498042627
Energy: 2.212393664302796
Energy: 2.207886274536271
Energy: 2.5114073620632706
Energy: 2.1651041830900413
Energy: 2.8340522373058388
Energy: 2.207906721989033
Energy: 2.2132856550355204
Energy: 2.2088281695200336
Energy: 2.9351099068037696
Energy: 2.15592918245175
Energy: 2.5089102324949324
Energy: 2.2082225973270666
Energy: 2.1638267548169026
Energy: 2.1607318848053176
Energy: 2.1628217770547082
Energy: 2.156997483252275
Energy: 2.1639330346030055
Energy: 2.1609193533820843
Energy: 2.1595279766758955
Energy: 2.508653832775372
Energy: 2.5095014259205204
Energy: 2.1588839568689147
Energy: 2.5699039696015853
Energy: 2.162668213478553
Energy: 2.16027983015421
Energy: 2.8898353823992506
Energy: 2.5101791956895467
Energy: 2.159851442160749
Energy: 2.5878111036862617
Energy: 2.5923982836431017
Energy: 2.1601898901758245
Energy: 2.8852202904885216
Energy: 2.51014254025291
Energy: 2.1567412363465572
Energy: 2.572237885807873
Energy: 2.163676569735564
Energy: 2.159770106022125
Energy: 2.8462548441403706
Energy: 2.511650902504355
Energy: 2.1603442226574026
Energy: 2.5920437766667037
Energy: 2.1643119422524446
Energy: 2.15487661780347
Energy: 2.5100360014548797
Energy: 2.161808777501256
Energy: 2.1612041867816894
Energy: 2.5108588221411603
Energy: 2.390611460671976
Energy: 2.3901925738899434
Energy: 2.161212916289924
Energy: 2.509001316752778
Energy: 2.2087120560426103
Energy: 2.509205885180828
Energy: 2.163289661593571
Energy: 2.159011090166121
Energy: 2.9432757536266347
Energy: 2.206675054623419
Energy: 2.2073628190602532
Energy: 2.2070592388993053
Energy: 2.16160492207582
Energy: 2.1667135756373606
Energy: 2.5090008469292164
Energy: 2.2099222488105785
Energy: 2.2077302163033545
Energy: 2.5092004286468748
Energy: 2.8839824344763336

minimum gb energy = 2.15487661780347 eV
minimum distance =  2.29712444154705 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 2.6870828505212403
Energy: 2.061815521849519
Energy: 2.0716707600958544
Energy: 2.26071679950914
Energy: 2.0695045838863413
Energy: 2.060632129278018
Energy: 2.412484969546298
Energy: 2.367166872964621
Energy: 2.230175399253177
Energy: 2.2290286437015823
Energy: 2.3653743585042113
Energy: 2.7393795188093795
Energy: 2.4078806251060665
Energy: 2.7358712864747856
Energy: 2.36612861849729
Energy: 2.22748894456996
Energy: 2.3664712239023467
Energy: 2.596449853758134
Energy: 2.4009465798908405
Energy: 2.591144348082549
Energy: 2.366158382420094
Energy: 2.2280472472039765
Energy: 2.366405416549805
Energy: 2.662207970273549
Energy: 2.400671551794988
Energy: 2.6801046432507154
Energy: 2.593314419515802
Energy: 2.4089215860662776
Energy: 2.4402611384258344
Energy: 2.6586853726620685
Energy: 2.4045350869882425
Energy: 2.605189729119793
Energy: 2.7140198733981333
Energy: 2.407466304636305
Energy: 2.683970985708744
Energy: 2.594469466456451
Energy: 2.2263975502721167
Energy: 2.3660936577110037
Energy: 2.4352297200050947
Energy: 2.2272926933841655
Energy: 2.4368698739331784
Energy: 2.3704241956621983
Energy: 2.044717020626053
Energy: 2.3698394025440517
Energy: 2.7213261368370207
Energy: 2.407738114922936
Energy: 2.717173414446834
Energy: 2.3666948185725567
Energy: 2.2413186794037685
Energy: 2.3674309807885727
Energy: 2.7467061874992105
Energy: 2.411771355966396
Energy: 2.435048598822534
Energy: 2.2262801472235716
Energy: 2.2305575359497616
Energy: 2.068835048876064
Energy: 2.230679352133674
Energy: 2.401446398616983
Energy: 2.226726137675755
Energy: 2.2260824120955296
Energy: 2.0728700201309316
Energy: 2.0700772333585022
Energy: 2.367557395956839
Energy: 2.4018924561671824
Energy: 2.2316714295718243
Energy: 2.0671770709079054
Energy: 2.0638560386383293
Energy: 2.0655798378158123
Energy: 2.743472157819508
Energy: 2.4075436802123376
Energy: 2.3670259706472843
Energy: 2.0703729865778264
Energy: 2.076179593040658
Energy: 2.070019491769981
Energy: 2.3673075315569374
Energy: 2.4111657913871554
Energy: 2.3660696900944806
Energy: 2.070013306764003
Energy: 2.236051126763764
Energy: 2.227754616165685
Energy: 2.3994959314883078
Energy: 2.3999611708130844
Energy: 2.2307321371501123
Energy: 2.229096141595046
Energy: 2.2338279859137042
Energy: 2.2287928373818677
Energy: 2.735319314713724
Energy: 2.4066613238842924
Energy: 2.366904722292638
Energy: 2.231388097279956
Energy: 2.2291194306328634
Energy: 2.366726344729483
Energy: 2.716893579207966
Energy: 2.409433082402863
Energy: 2.697228204656618
Energy: 2.3657670374345985
Energy: 2.2271614821711583
Energy: 2.3678625980037347
Energy: 2.6671731652241824
Energy: 2.401508153562126
Energy: 2.589576389082104
Energy: 2.2286230720165903
Energy: 2.4051909818723938
Energy: 2.6977423976991557
Energy: 2.677424704584577
Energy: 2.401879296895369
Energy: 2.6913434540214918
Energy: 2.4086645356202854
Energy: 2.4063368237623926
Energy: 2.6769094884025555
Energy: 2.593985955349739
Energy: 2.406080846917361
Energy: 2.602104174730965
Energy: 2.712591735426718
Energy: 2.225070720731041
Energy: 2.590548710647373
Energy: 2.3651673393189627
Energy: 2.22686791910998
Energy: 2.436795041361777
Energy: 2.4358423578186796
Energy: 2.4071101266853523
Energy: 2.6976446342531966
Energy: 2.3672778516916777
Energy: 2.0451196825432625
Energy: 2.3686855599571124
Energy: 2.6014682787328085
Energy: 2.412090940735421
Energy: 2.436183160821949
Energy: 2.2281302060579327
Energy: 2.234518970256657
Energy: 2.36438366945601
Energy: 2.7421066592157732
Energy: 2.4026859739937336
Energy: 2.2302742872349643
Energy: 2.226692204779879
Energy: 2.056854001111783
Energy: 2.0678579704857984
Energy: 2.5857049486849033
Energy: 2.4026383854650284
Energy: 2.3665084584608063
Energy: 2.069698804934107
Energy: 2.071481862375378
Energy: 2.07080946313802
Energy: 2.438131699331089
Energy: 2.406376039461511
Energy: 2.695902252465702
Energy: 2.065141550388593
Energy: 2.065756307914045
Energy: 2.0661221323286267
Energy: 2.745254907231664
Energy: 2.410340246273787
Energy: 2.2348338824940632
Energy: 2.067274190828451
Energy: 2.073794257120284
Energy: 2.0675358355078703
Energy: 2.7351048434990894

minimum gb energy = 2.044717020626053 eV
minimum distance =  2.38781710676486 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.918087276213195
Energy: 1.9192220712133319
Energy: 1.9314973191091094
Energy: 1.9313068011150258
Energy: 1.9319314759603115
Energy: 2.8232396316364103
Energy: 2.534252680451292
Energy: 2.0692331753926116
Energy: 2.0690433071569165
Energy: 2.0722972675425675
Energy: 2.0714742134316113
Energy: 2.547949574869338
Energy: 2.543492121362303
Energy: 2.545849453823005
Energy: 2.068845119968562
Energy: 2.071377634623187
Energy: 2.0696009067902064
Energy: 2.548179873917575
Energy: 2.535047623226161
Energy: 2.3808424021241636
Energy: 2.068925272678022
Energy: 2.0680929937325825
Energy: 2.0690338225452916
Energy: 2.514620189149829
Energy: 2.535659275080849
Energy: 2.382598591418768
Energy: 2.381656531601231
Energy: 2.3797617294151934
Energy: 2.3811029393732217
Energy: 2.513954932402713
Energy: 2.5458404772587873
Energy: 2.546554272075028
Energy: 2.3834484625687837
Energy: 2.3787079121345522
Energy: 2.5072408482371635
Energy: 2.5960090774762694
Energy: 2.3769844460654963
Energy: 2.506603559636488
Energy: 2.5070016392217407
Energy: 2.383137739948091
Energy: 2.5617283792545718
Energy: 2.3804742760297923
Energy: 2.212206613556519
Energy: 2.3835370972383574
Energy: 2.4937516222016542
Energy: 2.3795535342498604
Energy: 2.5585235847986465
Energy: 2.444358260284588
Energy: 2.3769722758300387
Energy: 2.3802555291633563
Energy: 2.546947184503092
Energy: 2.5525917450017235
Energy: 2.508869745885989
Energy: 2.3813530562606413
Energy: 2.2151126556055765
Energy: 2.3808106017976374
Energy: 2.3812635537697457
Energy: 2.37003909160193
Energy: 2.3803769123754908
Energy: 2.38021742610939
Energy: 2.0709537342432545
Energy: 2.0695391683427693
Energy: 2.381071829631503
Energy: 2.3709143865929954
Energy: 2.3812171670403743
Energy: 2.069643788554934
Energy: 2.0695773051647954
Energy: 2.180634077713181
Energy: 2.5457328345918184
Energy: 2.554141581452916
Energy: 2.4685630688531446
Energy: 2.179471804283956
Energy: 2.0663087832161517
Energy: 2.068493640985123
Energy: 2.0690177572446595
Energy: 2.534851839059718
Energy: 2.073254336756981
Energy: 2.0671912139676967
Energy: 1.9303229536398927
Energy: 1.9311691993483389
Energy: 2.376515488432545
Energy: 2.534535069365493
Energy: 1.9318877238295635
Energy: 1.930955802048882
Energy: 1.9322341815836377
Energy: 1.933934707442327
Energy: 2.5467793221842276
Energy: 2.5536264187535935
Energy: 2.177305844481152
Energy: 1.9344344504068334
Energy: 1.9325276094177808
Energy: 1.9352534543267954
Energy: 2.5451472565210276
Energy: 2.556971698606632
Energy: 2.17665004024976
Energy: 1.9338765878275381
Energy: 1.9302801177409759
Energy: 1.9311359527733811
Energy: 2.210409612975461
Energy: 2.530653734752137
Energy: 2.0682293285555526
Energy: 1.9308549144555254
Energy: 2.0661835540248488
Energy: 2.067712689218041
Energy: 2.0690091577385994
Energy: 2.5457472241257775
Energy: 2.069729736912657
Energy: 2.0676394369676805
Energy: 2.06930462509186
Energy: 2.180076295974566
Energy: 2.5465174649521334
Energy: 2.5537780675899246
Energy: 2.4685512916693493
Energy: 2.0672775841390085
Energy: 2.0757581315229054
Energy: 2.0696047676309606
Energy: 2.5269513916679336
Energy: 2.536107523999176
Energy: 2.3811251848415647
Energy: 2.069179298194589
Energy: 2.3815350570589895
Energy: 2.247150330260037
Energy: 2.561220274987505
Energy: 2.5385732310790545
Energy: 2.3809136443324124
Energy: 2.3859974586934527
Energy: 2.3794720385429526
Energy: 2.3812841722749223
Energy: 2.547822998458888
Energy: 2.5508341647645434
Energy: 2.506320975194065
Energy: 2.384997242553763
Energy: 2.379890822109134
Energy: 2.3845219831686664
Energy: 2.518093023869722
Energy: 2.378283579713792
Energy: 2.5675441376255956
Energy: 2.5079734172690222
Energy: 2.378479428898985
Energy: 2.506560460642463
Energy: 2.5062264460897032
Energy: 2.2124633276882477
Energy: 2.3803884978349914
Energy: 2.38199345261224
Energy: 2.5456966230311244
Energy: 2.5462941615943615
Energy: 2.3829364915813906
Energy: 2.3768789768919794
Energy: 2.5078046417789945
Energy: 2.546123987586704
Energy: 2.3703174944847203
Energy: 2.381668716213497
Energy: 2.381291847869355
Energy: 2.380837941586889
Energy: 2.381637413089864
Energy: 2.5081692975153054
Energy: 2.3702955748051617
Energy: 2.3804163053320906
Energy: 2.1802403060826467
Energy: 2.069281720322421
Energy: 2.2475535920915886
Energy: 2.3809046748931335
Energy: 2.545745983456628
Energy: 2.4683278065634364
Energy: 2.0695413888193803
Energy: 2.069858301300997
Energy: 2.0687503211851017
Energy: 2.5473193942832597
Energy: 2.547965737350238
Energy: 2.069149577405621
Energy: 2.06927283514308
Energy: 2.0726359605686366
Energy: 2.0727603218726998
Energy: 2.547822211291675
Energy: 2.53249258016626
Energy: 1.9314517062881866
Energy: 1.9228420644833901
Energy: 1.9224804418098838
Energy: 1.9314123425956689
Energy: 2.3763799627050903
Energy: 2.5456098816650314
Energy: 2.0700555999208494
Energy: 1.9313276876631906
Energy: 1.9322125610768202
Energy: 1.9341365241136397
Energy: 2.542855317965931
Energy: 2.5470793575481565
Energy: 2.467688098995458
Energy: 1.931850497196391
Energy: 1.9349835921236804
Energy: 1.9314557327788493
Energy: 2.5466002120358073
Energy: 2.529156982558549
Energy: 2.0701025618231346
Energy: 1.9321113804508265
Energy: 1.9331028752911195
Energy: 1.932371117499271
Energy: 2.2114718484558264

minimum gb energy = 1.9192220712133319 eV
minimum distance =  2.37839254200874 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 2.7745595316352953
Energy: 1.7343351644700193
Energy: 1.741406893704081
Energy: 1.977532494572924
Energy: 1.7388883148872225
Energy: 2.2100703179593033
Energy: 2.789950711153085
Energy: 1.9166555746398266
Energy: 1.844686260942279
Energy: 1.8470741203281458
Energy: 1.8472147740509748
Energy: 2.138552480972766
Energy: 2.7948630711212044
Energy: 2.1873778429934663
Energy: 1.9160890394940044
Energy: 1.847988216193733
Energy: 1.917601140273987
Energy: 2.2355668395842763
Energy: 2.4482685804634587
Energy: 2.0721832259668527
Energy: 1.9155806961644608
Energy: 1.8501171859368846
Energy: 1.9170902457149017
Energy: 2.185971018417465
Energy: 2.449116478003855
Energy: 2.071400432806648
Energy: 2.0561050494814808
Energy: 2.059251601971786
Energy: 2.0708325867179243
Energy: 2.2043075565267576
Energy: 2.804524260926846
Energy: 2.2361211850202793
Energy: 2.1587534529749313
Energy: 2.055890127996843
Energy: 2.1562623816166275
Energy: 2.2402387944854487
Energy: 2.6252161287891718
Energy: 2.2571961924356265
Energy: 2.074347463155491
Energy: 2.0562399964940106
Energy: 2.210158231509221
Energy: 2.286265653215436
Energy: 2.1579204350979646
Energy: 2.255075085878611
Energy: 2.2327882327683497
Energy: 2.057280132540469
Energy: 2.2336428369005885
Energy: 2.291693142204711
Energy: 2.6258726887546486
Energy: 2.283605941142352
Energy: 2.24150820771278
Energy: 2.3113716493112912
Energy: 2.2596606457096735
Energy: 2.2884272871952764
Energy: 2.4592759113359484
Energy: 2.281784369556207
Energy: 2.2616477778729958
Energy: 2.314287161567785
Energy: 2.2572028505961192
Energy: 2.2804705149003746
Energy: 2.1611893850746844
Energy: 2.2587653318725476
Energy: 2.2384943750391355
Energy: 2.311423801344711
Energy: 2.2809957010466597
Energy: 2.2612831727456526
Energy: 2.1613778335019704
Energy: 2.2575385685791347
Energy: 2.2814162733741474
Energy: 2.6256050792205197
Energy: 2.283482434370188
Energy: 2.2383568162369314
Energy: 2.3096540056933965
Energy: 2.2349899738407153
Energy: 2.2668386482596548
Energy: 2.402117199579732
Energy: 2.2547865178494617
Energy: 2.239809388777005
Energy: 2.0577418689370126
Energy: 2.155395727899919
Energy: 2.254967288536522
Energy: 2.305364044888751
Energy: 2.254183299222599
Energy: 2.079591101214298
Energy: 1.9470036876542656
Energy: 2.077773685103408
Energy: 2.2823739909844627
Energy: 2.401938643846848
Energy: 2.2486579206151087
Energy: 2.1474159273379994
Energy: 2.057438256302329
Energy: 2.151038748363632
Energy: 2.2007333942858573
Energy: 2.2797195657927296
Energy: 2.2038758673844026
Energy: 2.0726072322389735
Energy: 2.0605730550430756
Energy: 2.0707959836139813
Energy: 2.253820158785011
Energy: 2.4056885217747865
Energy: 2.0712543566189616
Energy: 2.0560579524414426
Energy: 1.85000853546713
Energy: 1.917711177375387
Energy: 2.0731755543472525
Energy: 2.619931482252957
Energy: 2.0725185235314734
Energy: 1.9169828111992522
Energy: 1.8589689694239244
Energy: 1.915046236129735
Energy: 2.188919593596541
Energy: 2.2811506326893003
Energy: 2.1396909529738575
Energy: 1.9167665463260968
Energy: 1.841815253638721
Energy: 1.840916460184482
Energy: 1.8431217358710636
Energy: 2.2797069917304174
Energy: 1.8428187503136642
Energy: 1.8406387823958679
Energy: 1.736917833275846
Energy: 1.7365789880760203
Energy: 2.072235802584155
Energy: 2.6157780777113016
Energy: 1.736011381044566
Energy: 1.737156062337344
Energy: 1.7434711652091652
Energy: 1.7369731151788321
Energy: 2.1881294591062748
Energy: 2.2817303505492528
Energy: 1.9162269727661487
Energy: 1.736476198776134
Energy: 1.7357393074372856
Energy: 1.74036180287922
Energy: 2.1382134073623122
Energy: 2.280169726929526
Energy: 1.915856962360999
Energy: 1.7403230640197895
Energy: 1.736077552292008
Energy: 1.7376079312525163
Energy: 2.1912531852008454
Energy: 2.2717340816240386
Energy: 1.7397987121922636
Energy: 1.7380956234583633
Energy: 1.8419861815712086
Energy: 1.8420935654553623
Energy: 1.848439309958182
Energy: 2.7845538740764493
Energy: 1.845404687753676
Energy: 1.8423881569213938
Energy: 1.8691727123359139
Energy: 1.9155049292057644
Energy: 2.18841876851951
Energy: 2.2826892909568848
Energy: 2.14031397072115
Energy: 1.859241123086109
Energy: 1.8465962386829275
Energy: 1.9162595957169053
Energy: 2.0721026407439362
Energy: 2.4495264608033906
Energy: 2.07149476714641
Energy: 1.8588201020217388
Energy: 2.0609032706085917
Energy: 2.0712225766666714
Energy: 2.1940009746423055
Energy: 2.4488975262553647
Energy: 2.07171436729659
Energy: 2.0561739385614026
Energy: 2.056605700161763
Energy: 2.1543149221928144
Energy: 2.235520746037946
Energy: 2.282209544811288
Energy: 2.2389807669818147
Energy: 2.0713199460430087
Energy: 2.0560329065768683
Energy: 2.078538749694476
Energy: 2.285895486701127
Energy: 2.625385420359341
Energy: 2.2573429127742313
Energy: 2.0738714943451617
Energy: 2.0578357405507752
Energy: 2.1555470916688786
Energy: 2.2951007311136733
Energy: 2.159069392262965
Energy: 2.255238456690804
Energy: 2.074793957443369
Energy: 2.315024855193542
Energy: 2.2383495708881433
Energy: 2.286109564685482
Energy: 2.6253762578630915
Energy: 2.2555915352292475
Energy: 2.241577137952555
Energy: 2.3108761107987315
Energy: 2.25784110557487
Energy: 2.2819375073109267
Energy: 2.463680942276634
Energy: 2.282882926725652
Energy: 2.239064174260056
Energy: 2.311458708183317
Energy: 2.2574912848135127
Energy: 2.2601628174373913
Energy: 2.160806608875098
Energy: 2.2555472240110506
Energy: 2.2387804201879105
Energy: 2.62585339008317
Energy: 2.2831023867261333
Energy: 2.2601206722406486
Energy: 2.160773681497842
Energy: 2.255619900628927
Energy: 2.280928101102874
Energy: 2.6246383693490003
Energy: 2.264773676513781
Energy: 2.236538870919582
Energy: 2.3125534853243406
Energy: 2.243368164122584
Energy: 2.286587126698715
Energy: 2.3060473219803903
Energy: 2.2546149167754037
Energy: 2.155223899591672
Energy: 2.0555298660740142
Energy: 2.1570567389489694
Energy: 2.264412459054912
Energy: 2.6249612768239547
Energy: 2.264406787616389
Energy: 2.076357191957155
Energy: 2.066250684725313
Energy: 2.077104788265361
Energy: 2.2854594655296987
Energy: 2.8013869447957527
Energy: 2.2353847802823967
Energy: 2.077998998807055
Energy: 2.0545365288364446
Energy: 2.153906141600665
Energy: 2.2360237065978974
Energy: 2.619873249185343
Energy: 2.0716795172035085
Energy: 2.0711835384662796
Energy: 2.058746700759831
Energy: 2.0711437076321717
Energy: 2.2643873556275778
Energy: 2.6203611586660203
Energy: 2.072348560279451
Energy: 1.9163909331750713
Energy: 1.8509446030851122
Energy: 1.967898636534341
Energy: 2.0750075297754553
Energy: 2.795032220891599
Energy: 2.188621443267006
Energy: 1.915374804984689
Energy: 1.850680623197801
Energy: 1.9164426993642305
Energy: 2.188626675695414
Energy: 2.620517335924698
Energy: 1.845756466714795
Energy: 1.8416696041397511
Energy: 1.8444972753112612
Energy: 1.8415031037553937
Energy: 1.8488008837589494
Energy: 2.615343400916971
Energy: 1.7352738841134703
Energy: 1.7388390838887477
Energy: 1.737325730046013
Energy: 1.7369575428416966
Energy: 2.252592084873258
Energy: 2.795318868886876
Energy: 1.9153514396260451
Energy: 1.7408495763139746
Energy: 1.7360774850522172
Energy: 1.8483301429471188
Energy: 2.1416960961907194
Energy: 2.795205420138268
Energy: 2.139461250004774
Energy: 1.7366645725801533
Energy: 1.7430889840296677
Energy: 1.7376261937598056
Energy: 2.1883158697652165
Energy: 2.782286984164881
Energy: 1.8410248608169637
Energy: 1.737517278276001
Energy: 1.7358182060119989
Energy: 1.736507672321376
Energy: 2.192018301926954

minimum gb energy = 1.7343351644700193 eV
minimum distance =  2.31211560648659 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.7434448556797204
Energy: 0.7440861437690836
Energy: 0.9480576999983072
Energy: 0.9363004559349073
Energy: 0.9473128782890932
Energy: 0.7439902463027989
Energy: 0.7210335439920699
Energy: 0.9313667767437196
Energy: 0.9286060615250507
Energy: 0.9259575270763698
Energy: 0.9283521708943964
Energy: 0.9298251012986257
Energy: 1.9766381053216275
Energy: 0.9271637452457189
Energy: 0.927576830805744
Energy: 0.9395694542065928
Energy: 0.9304020413773535
Energy: 0.9276711428641711
Energy: 0.721703814787159
Energy: 0.926266370192278
Energy: 0.9260489311339231
Energy: 0.9445852315085563
Energy: 0.9249267247130034
Energy: 0.7206094794669272
Energy: 0.7204398586624081
Energy: 0.9258415597866548
Energy: 0.9256576950407454
Energy: 0.9244466830561279
Energy: 0.9250335001985582
Energy: 0.7203823056702975
Energy: 1.974820887566985
Energy: 0.9266069120115199
Energy: 0.9262234643387429
Energy: 0.9461674389460191
Energy: 0.928371783614059
Energy: 0.9262071769879017
Energy: 0.7205503298965223
Energy: 0.9282007467508083
Energy: 0.9289082909744906
Energy: 0.9361386472264266
Energy: 0.930377485388852
Energy: 0.9284433880423201

minimum gb energy = 0.7203823056702975 eV
minimum distance =  2.68508611607814 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.85075227663093
Energy: 1.8464379759134935
Energy: 1.6272030775655413
Energy: 1.9568317650157703
Energy: 1.777969987527177
Energy: 2.026556376415115
Energy: 2.8333782829263177
Energy: 1.7953365917130029
Energy: 1.639231011152294
Energy: 1.6472371296010457
Energy: 1.6386315784360785
Energy: 1.9015251128609874
Energy: 3.058669815644439
Energy: 1.929643154951931
Energy: 1.6537302276456112
Energy: 1.6579178953925175
Energy: 1.6540033071724736
Energy: 2.0113068967501895
Energy: 3.017560847771657
Energy: 1.7876173006973934
Energy: 1.6339575106683368
Energy: 1.6378255205808288
Energy: 1.634887966883155
Energy: 1.951847094883581
Energy: 3.0140812758921744
Energy: 1.788273724462584
Energy: 1.7641297640444338
Energy: 1.7446358941124782
Energy: 1.788236853463305
Energy: 1.952265234582344
Energy: 2.9444423436508083
Energy: 1.981073565081127
Energy: 1.6890066885444752
Energy: 1.7503544626129706
Energy: 1.792149074444427
Energy: 2.1130531349831494
Energy: 2.929924441702229
Energy: 1.9857753551246917
Energy: 1.7528417952760733
Energy: 1.7331584377093046
Energy: 1.7086629570491638
Energy: 1.9852377549597462
Energy: 2.668572378136838
Energy: 1.9883248880191904
Energy: 1.9912667852030415
Energy: 1.9719068600560765
Energy: 1.9888505810614128
Energy: 2.0570090141185333
Energy: 2.783695226570877
Energy: 1.987296887364232
Energy: 1.9849968500166848
Energy: 1.9734537989987355
Energy: 1.9862969652474127
Energy: 2.011346955684427
Energy: 2.935504624622784
Energy: 2.0745371115449114
Energy: 1.9525142423496515
Energy: 1.9699020353826315
Energy: 1.984314347830871
Energy: 2.072276131990703
Energy: 2.6583914517348224
Energy: 2.068986482072537
Energy: 2.0287784799108524
Energy: 1.9704532745391308
Energy: 2.0767579031963015
Energy: 2.0687431740633113
Energy: 2.652324555518893
Energy: 2.0686898113149637
Energy: 2.069856906271274
Energy: 2.254440830076308
Energy: 2.07074790907543
Energy: 2.068191917965555
Energy: 2.582594658422939
Energy: 2.0680114434404206
Energy: 2.074531423390813
Energy: 2.16973439424109
Energy: 2.0740603348887965
Energy: 2.0937885706518755
Energy: 2.577801556808284
Energy: 2.0925032744136365
Energy: 2.0692119386620877
Energy: 2.2665926135302468
Energy: 2.117606014625847
Energy: 2.091649098530237
Energy: 2.3286769614188088
Energy: 2.0926633224899494
Energy: 2.092644715253804
Energy: 2.540151197680122
Energy: 2.09297907448923
Energy: 2.0929985560536184
Energy: 2.3928089839652484
Energy: 2.0929705249093216
Energy: 2.09369701346373
Energy: 2.5003758185311606
Energy: 2.0920232264682097
Energy: 2.0931110396186794
Energy: 2.266726045660244
Energy: 2.060268035545329
Energy: 2.0922730992170644
Energy: 2.5798673030505643
Energy: 2.0956564027912177
Energy: 2.0583272503950165
Energy: 2.2619480869358104
Energy: 2.068197439398142
Energy: 2.0967257429465147
Energy: 2.5350221338230563
Energy: 2.0618127679048386
Energy: 2.0611874338342293
Energy: 2.257626199387897
Energy: 2.0616107957256378
Energy: 2.061610706435732
Energy: 2.835605273550052
Energy: 2.062017966940218
Energy: 2.0599773496089124
Energy: 1.9834043322831496
Energy: 2.004687185520464
Energy: 2.061822980683676
Energy: 2.837078667491157
Energy: 2.0621144546775603
Energy: 1.9558212847028151
Energy: 1.9792200754943312
Energy: 1.951625306836161
Energy: 2.0911201990171917
Energy: 2.7517738730594976
Energy: 2.0131893054699868
Energy: 1.9505006808251808
Energy: 1.9837070105461536
Energy: 1.9533039020796557
Energy: 1.9544273249906445
Energy: 2.115223507147038
Energy: 1.953525433226505
Energy: 1.9586827115320382
Energy: 1.805327802939542
Energy: 1.958500959592295
Energy: 2.039150553549936
Energy: 2.855071666941792
Energy: 1.9584654024103778
Energy: 1.859594605486876
Energy: 1.7853539484198102
Energy: 1.8559040225186012
Energy: 1.9561300844105123
Energy: 3.0972106969746775
Energy: 1.953359607807569
Energy: 1.784605930807854
Energy: 1.785812356537615
Energy: 1.7791919438275328
Energy: 2.0151268374148477
Energy: 2.7534847918905694
Energy: 1.9202471142282427
Energy: 1.7842677919788892
Energy: 1.7744736070874638
Energy: 1.8427481053298194
Energy: 1.9159449451279695
Energy: 3.092260635479462
Energy: 1.915532208840938
Energy: 1.7741342069011068
Energy: 1.6674307938768038
Energy: 1.6914901263157227
Energy: 1.9159687160553887
Energy: 3.0905447742838335
Energy: 1.9158227564016632
Energy: 1.6669881215866937
Energy: 1.6912110280178922
Energy: 1.6406240029610966
Energy: 1.9696220323872142
Energy: 2.7429094494184674
Energy: 1.9194875882283173
Energy: 1.6910508332783127
Energy: 1.6961758829255764
Energy: 1.6472672496653282
Energy: 1.7587951096162584
Energy: 2.043791978435619
Energy: 1.7588172397262298
Energy: 1.6944240303096618
Energy: 1.749072616873356
Energy: 1.7476603039527536
Energy: 1.95463147155383
Energy: 3.0410615660658804
Energy: 1.7476912558068507
Energy: 1.7483314080155419
Energy: 1.768747660313572
Energy: 1.7626293441469982
Energy: 1.7646713507466876
Energy: 2.069693690733473
Energy: 1.7629028123724069
Energy: 1.7687425484040482
Energy: 1.7566858062590964
Energy: 1.7541097268704404
Energy: 2.007014454316091
Energy: 2.750718875651978
Energy: 1.9588742640939982
Energy: 1.754718346762076
Energy: 1.7483847138212538
Energy: 1.756044106720411
Energy: 1.9767186338807574
Energy: 2.6609592969353844
Energy: 1.9770074141654856
Energy: 1.7544009455789378
Energy: 1.9711589628599184
Energy: 1.9772853064814286
Energy: 1.9764033093197009
Energy: 3.0158663293656955
Energy: 1.9768627407487296
Energy: 1.9287334362058455
Energy: 1.9728667797571906
Energy: 1.9784869674140289
Energy: 2.0820691994915745
Energy: 2.705255902837408
Energy: 1.977083178883457
Energy: 1.9289099525434774
Energy: 1.9774988992835163
Energy: 1.9949814402732817
Energy: 2.0655918243835023
Energy: 2.9277064236205868
Energy: 2.066755627195888
Energy: 1.9379123836054473
Energy: 2.2589265681553994
Energy: 2.075134585539475
Energy: 2.0676829426256416
Energy: 2.6697188220931607
Energy: 2.0677339695712815
Energy: 2.067892281174345
Energy: 2.1751218219383914
Energy: 2.0658199223953266
Energy: 2.097476114423781
Energy: 2.703476882817214
Energy: 2.0672789597147823
Energy: 2.0665481544085975
Energy: 2.256720711485394
Energy: 2.0703016751407928
Energy: 2.096262673863318
Energy: 2.58410583841362
Energy: 2.0824093678095577
Energy: 2.0664942981812535
Energy: 2.260369135199735
Energy: 2.0999018175708586
Energy: 2.0952912231001473
Energy: 2.3278099319354544
Energy: 2.102255048037658
Energy: 2.072376309446888
Energy: 2.483237035264895
Energy: 2.094738415705472
Energy: 2.0944924691992504
Energy: 2.579339949867497
Energy: 2.098202320312051
Energy: 2.0942699911585962
Energy: 2.4843973518979476
Energy: 2.0948691329790945
Energy: 2.0965694123142016
Energy: 2.2589585859604884
Energy: 2.0961729363925166
Energy: 2.0942205789387907
Energy: 2.5920390649605825
Energy: 2.101814324672049
Energy: 2.0711587629736368
Energy: 2.2549698772707942
Energy: 2.0716652129682664
Energy: 2.0977714014997293
Energy: 2.8870081820045157
Energy: 2.0702411488138748
Energy: 2.0784467067470396
Energy: 2.257895719620485
Energy: 2.071500187337627
Energy: 2.06961043319194
Energy: 2.497291382096749
Energy: 2.095811162413676
Energy: 2.053428008544062
Energy: 1.9709691719655147
Energy: 2.0694261056887493
Energy: 2.1085007579685966
Energy: 2.932404405645577
Energy: 2.070190854611739
Energy: 1.975454074889023
Energy: 1.9717090822486159
Energy: 1.9904147678967412
Energy: 2.0699859649450523
Energy: 2.777681134739799
Energy: 1.9875344055917312
Energy: 1.8914312398923918
Energy: 1.9715530160210843
Energy: 1.9865763972135742
Energy: 2.071331177945344
Energy: 2.8335231391234537
Energy: 1.9844484219655663
Energy: 1.9691981325186125
Energy: 1.9686685441812273
Energy: 1.9849414145764617
Energy: 2.011580671333193
Energy: 2.8301949980807155
Energy: 1.98446172964035
Energy: 1.729695858552637
Energy: 1.7338720162426209
Energy: 1.855549171928194
Energy: 2.0112525702580557
Energy: 3.0605421483271242
Energy: 2.0120063663724115
Energy: 1.78917949561515
Energy: 1.7445794625603017
Energy: 1.788282266578322
Energy: 2.011505648761366
Energy: 2.8313578755596667
Energy: 1.7924740238310617
Energy: 1.7921364523087788
Energy: 1.7498296837321337
Energy: 1.792131961469178
Energy: 1.9000649326295203

minimum gb energy = 1.6272030775655413 eV
minimum distance =  2.30896211016636 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 3.04029829235077
Energy: 2.125277653333771
Energy: 1.7701225121854665
Energy: 1.7689570246008688
Energy: 1.9772839954705423
Energy: 2.321608664268671
Energy: 2.836956715162806
Energy: 1.9928484257085841
Energy: 1.7837361986222109
Energy: 1.7905517108181386
Energy: 1.7842504505068526
Energy: 2.1497709958326
Energy: 2.9729788963685135
Energy: 2.1798882088523346
Energy: 1.7994040073395867
Energy: 1.8031340900213617
Energy: 1.7991602101506448
Energy: 2.278383769031647
Energy: 3.311952540201448
Energy: 1.9844700466686032
Energy: 1.7754649348714364
Energy: 1.7805274788254792
Energy: 1.77663953041994
Energy: 2.206921953889322
Energy: 3.3077533669694335
Energy: 1.986885736266294
Energy: 1.9545234787381287
Energy: 1.9275766664755472
Energy: 1.9860553868424367
Energy: 2.2069005405434625
Energy: 2.9714999315531565
Energy: 2.2448415289915586
Energy: 1.85021831080089
Energy: 1.935301292200514
Energy: 1.994471722215757
Energy: 2.38594876188511
Energy: 2.9701308570623515
Energy: 2.2459154315837284
Energy: 1.947919476304855
Energy: 1.9185840457330114
Energy: 1.9794252769312988
Energy: 2.2472911744792134
Energy: 2.7789684232800194
Energy: 2.2479612818702313
Energy: 2.2454298912197412
Energy: 2.2345404997590417
Energy: 2.2467529950483045
Energy: 2.310499422725646
Energy: 2.5078206001290795
Energy: 2.2475887462041015
Energy: 2.2453452456044833
Energy: 2.1464939635429525
Energy: 2.246633234902555
Energy: 2.276759631498341
Energy: 2.684136707294972
Energy: 2.3076393613904433
Energy: 2.2106310061412366
Energy: 2.2559704885782987
Energy: 2.2449548194140685
Energy: 2.3190471190496504
Energy: 2.3293763527396645
Energy: 2.3062328733211905
Energy: 2.246019384567252
Energy: 2.2576637389851824
Energy: 2.3061750037834736
Energy: 2.3178959417443403
Energy: 2.6805491937318684
Energy: 2.305619394405503
Energy: 2.3053835966669505
Energy: 2.547818564841371
Energy: 2.307752910376726
Energy: 2.3171450890076817
Energy: 2.2724786598644577
Energy: 2.246187556002607
Energy: 2.306107282963187
Energy: 2.5464006363436664
Energy: 2.30560666450653
Energy: 2.2044586181325596
Energy: 2.2687490162459127
Energy: 2.205006751851679
Energy: 2.3099072771146494
Energy: 2.426586124416561
Energy: 2.2914703511276553
Energy: 2.207417678354624
Energy: 2.2715977211551386
Energy: 2.20378801554169
Energy: 2.2048254382473584
Energy: 2.428090366811561
Energy: 2.204484641465407
Energy: 2.203474192540488
Energy: 2.106324476878091
Energy: 2.2039056773380885
Energy: 2.276008856800605
Energy: 2.5477745221700547
Energy: 2.2058295586183365
Energy: 2.2033013565120463
Energy: 1.9885464880467656
Energy: 2.0798985319574577
Energy: 2.203700365955531
Energy: 3.038345733959387
Energy: 2.202796136156571
Energy: 1.986794790609817
Energy: 1.9811134178575691
Energy: 1.9720363950738242
Energy: 2.2803750490897596
Energy: 2.9090103763347916
Energy: 2.162860614922954
Energy: 1.9809988245320538
Energy: 1.9707867677581636
Energy: 1.9592266446707927
Energy: 2.157706082867055
Energy: 2.891919711995193
Energy: 2.157376378583156
Energy: 1.9706117877209817
Energy: 1.8248214233518647
Energy: 1.750022751459364
Energy: 2.1580242072301377
Energy: 2.8923613906219106
Energy: 2.1570606615991976
Energy: 1.8231011533365216
Energy: 1.8473899827440095
Energy: 1.7757484175885114
Energy: 2.1594589662882377
Energy: 2.907708558084907
Energy: 2.1604204422119935
Energy: 1.8457015877452394
Energy: 1.857494317546197
Energy: 1.7850371995940424
Energy: 1.952918765507636
Energy: 2.9038015345889465
Energy: 1.9498540661339419
Energy: 1.8561303271881897
Energy: 1.8543769760597595
Energy: 1.9347316043533005
Energy: 2.2248726364631812
Energy: 2.7818548037520023
Energy: 1.9381585280838
Energy: 1.8530259389707635
Energy: 1.9516647263462668
Energy: 1.9494085983551241
Energy: 1.9506129728104076
Energy: 2.9041583900416383
Energy: 1.9500154511990093
Energy: 1.9528493171257224
Energy: 1.9439837750729954
Energy: 1.9423716249032204
Energy: 2.270787093824773
Energy: 2.7241245636524316
Energy: 2.2105386426498104
Energy: 1.9434889794470813
Energy: 1.9365257837832845
Energy: 1.9428118220480464
Energy: 2.2390515574674876
Energy: 2.7772507476729698
Energy: 2.238453337042444
Energy: 1.941454673634904
Energy: 2.2588149524108188
Energy: 2.2399655113991117
Energy: 2.2384500079292287
Energy: 2.7767963301787426
Energy: 2.238247784843066
Energy: 2.198369142989971
Energy: 2.141487874210513
Energy: 2.238814408464598
Energy: 2.312477577327288
Energy: 2.685304098047176
Energy: 2.239916501413059
Energy: 2.198637940038188
Energy: 2.2695826977151654
Energy: 2.2398008364519897
Energy: 2.3124444556397084
Energy: 2.6838245212377783
Energy: 2.3152306754398695
Energy: 2.1987143664262967
Energy: 2.2631520279525956
Energy: 2.3128255797926474
Energy: 2.3131575920037686
Energy: 2.3368611362626153
Energy: 2.3122379134441062
Energy: 2.343356038503982
Energy: 2.544373734482555
Energy: 2.31285333470203
Energy: 2.3128185440379663
Energy: 2.4264763986715314
Energy: 2.312288013527198
Energy: 2.3086905039088084
Energy: 2.676474405281446
Energy: 2.3122157188949024
Energy: 2.23017444129213
Energy: 2.25464655318428
Energy: 2.293003345858402
Energy: 2.3122187630563245
Energy: 2.6818197914707245
Energy: 2.299966963174509
Energy: 2.2334946135698033
Energy: 2.251620018033921
Energy: 2.2476878486243894
Energy: 2.313270892522523
Energy: 3.028982914974974
Energy: 2.2474832658982398
Energy: 2.229490571010778
Energy: 2.2515716650791044
Energy: 2.2470512103434035
Energy: 2.2743636562895007
Energy: 2.5399199010493483
Energy: 2.247783467236126
Energy: 1.9824831656343338
Energy: 1.9175952005940997
Energy: 2.0910284955233465
Energy: 2.274726178855631
Energy: 2.9751696293970324
Energy: 2.2781247344042512
Energy: 1.9236351650795127
Energy: 1.926273553792974
Energy: 1.9832118146734106
Energy: 2.2785151971761057
Energy: 2.6779778907892235
Energy: 1.9966799484797828
Energy: 1.9957359304641544
Energy: 1.9357252526528688
Energy: 1.9957467073219315
Energy: 2.277190874968717
Energy: 3.039223651506046
Energy: 1.9806853902757624
Energy: 1.9796816419131629
Energy: 1.9178456599739546
Energy: 1.9794531851792858
Energy: 2.277147820046305

minimum gb energy = 1.750022751459364 eV
minimum distance =  2.36120164554961 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.699253786430854
Energy: 2.3551574104459774
Energy: 1.8440341529164772
Energy: 1.8441391819892838
Energy: 2.1002577715952957
Energy: 2.699892698490964
Energy: 2.7029538914378057
Energy: 2.1139914324932896
Energy: 1.8527239680269778
Energy: 1.8568766410927529
Energy: 1.8529128929453134
Energy: 2.4063449555005603
Energy: 2.803572448587121
Energy: 2.3421435295201865
Energy: 1.867434202740067
Energy: 1.8699277972312212
Energy: 1.8676284389456639
Energy: 2.4402899039276833
Energy: 3.031215649662956
Energy: 2.10376369705925
Energy: 1.8452849726792258
Energy: 1.8465010692745036
Energy: 2.102796892106068
Energy: 2.4052898364134694
Energy: 3.0302691915079505
Energy: 2.105273165144761
Energy: 2.104146494913523
Energy: 2.0354097343152624
Energy: 2.104133245970126
Energy: 2.40577163082474
Energy: 2.801421502738559
Energy: 2.442607903262458
Energy: 2.114632257369547
Energy: 2.0422282863778563
Energy: 2.114438590619386
Energy: 2.542433592141964
Energy: 3.05342622359089
Energy: 2.405746064710886
Energy: 2.101757775209975
Energy: 2.0317715408911505
Energy: 2.102245415856815
Energy: 2.4059087518497493
Energy: 2.4528376562837857
Energy: 2.408062195088602
Energy: 2.4071088221954393
Energy: 2.2663675065816316
Energy: 2.4067948887043626
Energy: 2.407964315380065
Energy: 2.458897275145368
Energy: 2.407323639346933
Energy: 2.4063462643265683
Energy: 2.2079082815543
Energy: 2.4061289483384405
Energy: 2.440946568015041
Energy: 2.457433712797793
Energy: 2.4059900035157185
Energy: 2.383608655627399
Energy: 2.4645042380557105
Energy: 2.4080977661556617
Energy: 2.406616008747948
Energy: 2.4552962447318873
Energy: 2.405596766564783
Energy: 2.4073561635857827
Energy: 2.4583667999132466
Energy: 2.406220360403163
Energy: 2.405703938819908
Energy: 2.455895880159597
Energy: 2.40564168885102
Energy: 2.405267657422354
Energy: 2.7053818329125945
Energy: 2.4050658688844453
Energy: 2.4055731745075146
Energy: 2.030513777250613
Energy: 2.3447605296899257
Energy: 2.4481834986930604
Energy: 2.7026644730673426
Energy: 2.4065290793973135
Energy: 2.0317893053795233
Energy: 2.033945352759202
Energy: 2.103516188471067
Energy: 2.406210585248377
Energy: 2.805961063253656
Energy: 2.40624401129421
Energy: 2.0315412844001783
Energy: 2.041259791541485
Energy: 2.11549334725237
Energy: 2.4067388744152556
Energy: 2.8039816893976273
Energy: 2.1118956771594393
Energy: 2.0401965562603914
Energy: 1.8429754525910949
Energy: 2.10154260819925
Energy: 2.3341999438711234
Energy: 2.701428779538152
Energy: 2.101777609724473
Energy: 2.029798391379219
Energy: 1.8525917093598814
Energy: 1.8508712587869935
Energy: 2.1112967594481473
Energy: 2.6274772285790573
Energy: 2.1108731859647376
Energy: 1.8506765602944797
Energy: 1.8685386440355216
Energy: 1.8687332083207957
Energy: 2.3410522265367764
Energy: 2.807769259310116
Energy: 1.8600701076826878
Energy: 1.8685360887824083
Energy: 1.846884699372282
Energy: 1.8462594723224406
Energy: 2.105586752596232
Energy: 3.0339550848811974
Energy: 2.1049257070360827
Energy: 1.8459318875527526
Energy: 2.0320213325356558
Energy: 2.1028704031332555
Energy: 2.104234806427725
Energy: 3.033813989730977
Energy: 2.1033584061205937
Energy: 2.1030210019683593
Energy: 2.0412176633250105
Energy: 2.1181118911608383
Energy: 2.4455657784400517
Energy: 2.8057489411046257
Energy: 2.117033366190153
Energy: 1.847882532211007
Energy: 2.0284494369605577
Energy: 2.1011478177620746
Energy: 2.406041597947873
Energy: 2.8043229588686103
Energy: 2.405930238561809
Energy: 2.1012370709256936
Energy: 2.0301606332090643
Energy: 2.4064122015471128
Energy: 2.409246314829841
Energy: 2.4551125807755123
Energy: 2.4085865309065935
Energy: 2.102333415722063
Energy: 2.203040988671243
Energy: 2.4055746389247674
Energy: 2.4064601852757925
Energy: 2.460063389035932
Energy: 2.4063314806106106
Energy: 2.3835480267730556
Energy: 2.456317512732814
Energy: 2.4052129303468797
Energy: 2.406531193148184
Energy: 2.4568866517529897
Energy: 2.402982335448144
Energy: 2.3807179871419892
Energy: 2.46051679932405
Energy: 2.4055319258968204
Energy: 2.4058456668491295
Energy: 2.4565360673252408
Energy: 2.4055525088271685
Energy: 2.3819219981157285
Energy: 2.7046398611436455
Energy: 2.4049946949597816
Energy: 2.408015106959862
Energy: 2.4575614897508586
Energy: 2.4073097602978115
Energy: 2.4056708573860015
Energy: 2.7014181748625705
Energy: 2.407366042958908
Energy: 2.103976192065007
Energy: 2.0310546117079196
Energy: 2.406508797437721
Energy: 2.448723694060572
Energy: 2.799127780589905
Energy: 2.408126058090244
Energy: 2.0306309415804815
Energy: 2.032502722489964
Energy: 2.1022199970149336
Energy: 2.407624791315412
Energy: 2.7988504138301815
Energy: 2.3439410184998106
Energy: 1.8488286345848353
Energy: 2.0437520612572526
Energy: 2.1199189691948974
Energy: 2.4401726773840116
Energy: 2.6976266707072676
Energy: 2.1018158037930927
Energy: 2.101360964835171
Energy: 2.029191239660654
Energy: 2.101321086636669
Energy: 2.3332102327164144

minimum gb energy = 1.8429754525910949 eV
minimum distance =  2.32500529332508 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.429869584925957
Energy: 2.598780743317287
Energy: 1.955041027904205
Energy: 1.954815378864253
Energy: 2.2812450340108907
Energy: 2.598476912815236
Energy: 2.917444305303911
Energy: 2.2789808691093674
Energy: 1.9464385289604713
Energy: 1.9490157114752658
Energy: 1.9465541253819492
Energy: 2.587011247796873
Energy: 2.5360392172408774
Energy: 2.2918141349062795
Energy: 1.9558754107112901
Energy: 1.9586594632281484
Energy: 1.9558575709106871
Energy: 2.5884633227624176
Energy: 2.8168055254771445
Energy: 2.272135082026977
Energy: 1.9431742728478183
Energy: 1.9452854904986303
Energy: 2.2716626128290347
Energy: 2.8160659370577026
Energy: 2.8186448326292384
Energy: 2.2732415752111623
Energy: 2.2720195209830716
Energy: 2.197960782184537
Energy: 2.272254208650024
Energy: 2.817085036648864
Energy: 2.532440299416963
Energy: 2.620681827692934
Energy: 2.2806274042142345
Energy: 2.1997088794436643
Energy: 2.2805915375933377
Energy: 2.6489634472678514
Energy: 2.822914996555357
Energy: 2.585919949688353
Energy: 2.2718349458929445
Energy: 2.195918795830706
Energy: 2.2722033990879877
Energy: 2.5866808791273774
Energy: 2.1963170467908975
Energy: 2.5872481151885665
Energy: 2.589861863875042
Energy: 2.1977983781234314
Energy: 2.586581604359365
Energy: 2.5876386472034256
Energy: 2.1960582554182952
Energy: 2.587368875672453
Energy: 2.5595971032716385
Energy: 2.4344936020891805
Energy: 2.5861590873249023
Energy: 2.61941013208706
Energy: 2.1954690393328726
Energy: 2.2722841473594815
Energy: 2.586087979963324
Energy: 2.434154600883679
Energy: 2.589906260002943
Energy: 2.1960394724910164
Energy: 2.1996236849827677
Energy: 2.279019657859709
Energy: 2.621227652517606
Energy: 2.5343685798245086
Energy: 2.56919052030708
Energy: 2.1984309947423295
Energy: 2.194969032857577
Energy: 2.272632579401916
Energy: 2.273683378433185
Energy: 3.220532893391893
Energy: 2.2730985861477393
Energy: 2.195927670229386
Energy: 1.9450444285911441
Energy: 1.9432491802560075
Energy: 2.560108570505384
Energy: 3.207522043534581
Energy: 2.2719467772260393
Energy: 1.943320534075065
Energy: 1.954846853474845
Energy: 1.953806382935512
Energy: 2.5694849607331034
Energy: 2.532567102287201
Energy: 2.5705601050169475
Energy: 1.9536576572717632
Energy: 1.9491694483842328
Energy: 1.9476643206085937
Energy: 2.280454571100148
Energy: 2.531992148672893
Energy: 2.27972803782138
Energy: 1.9475968135669564
Energy: 1.9445586820880951
Energy: 2.272286882626726
Energy: 2.587945056496883
Energy: 2.819188367826826
Energy: 2.272349575953427
Energy: 1.9451604884067795
Energy: 2.195847231442005
Energy: 2.2758430971584516
Energy: 2.2772648469319217
Energy: 2.531876218126384
Energy: 2.2764215906489973
Energy: 2.2809557091500574
Energy: 2.195455445138823
Energy: 2.274390856026164
Energy: 2.6200182285531577
Energy: 2.5355431256939482
Energy: 2.5865699653533762
Energy: 2.27921632190571
Energy: 2.195226588484603
Energy: 2.272821489880431
Energy: 2.5862767350697533
Energy: 2.8257185207942674
Energy: 2.590402532079861
Energy: 2.272322046561175
Energy: 2.532472102916132
Energy: 2.585690221349669
Energy: 2.5864284701198326
Energy: 2.8247345567328543
Energy: 2.5863395727835425
Energy: 2.586921676559555
Energy: 2.43056993113382
Energy: 2.5870459724137715
Energy: 2.2729746313856487
Energy: 2.1970026959314537
Energy: 2.5870028470961257
Energy: 2.43123876225311
Energy: 2.532205797976404
Energy: 2.58622251848855
Energy: 2.274335587795808
Energy: 2.1973571544083996
Energy: 2.5713126128181703
Energy: 2.5874084893272116
Energy: 2.533106791588662
Energy: 2.569166350603171
Energy: 2.2891072104919856
Energy: 2.200885344553437
Energy: 2.287671402356301
Energy: 2.6091447582028615
Energy: 3.205126096031884
Energy: 2.2721014192451077
Energy: 2.2717954250581083
Energy: 2.1971047516818936
Energy: 2.2714760628255575
Energy: 2.55987442936912

minimum gb energy = 1.9431742728478183 eV
minimum distance =  2.3308890471682 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.8795866625041873
Energy: 2.872899623771135
Energy: 2.1091252554147797
Energy: 2.109447731103105
Energy: 2.524299971325998
Energy: 2.880665367047631
Energy: 2.8814525922606746
Energy: 2.4760712224610435
Energy: 2.0234356980856636
Energy: 2.028167496444445
Energy: 2.0234798975569084
Energy: 2.9277479259315013
Energy: 2.1095553219370173
Energy: 2.481420610215909
Energy: 2.019360048464843
Energy: 2.021983957523388
Energy: 2.0193252899935783
Energy: 2.4772212231300585
Energy: 2.450359246894654
Energy: 2.476739847211356
Energy: 2.0311688048750747
Energy: 2.0238734064469748
Energy: 2.4765253161056813
Energy: 2.477069722705813
Energy: 2.4552838654910145
Energy: 2.475871995745257
Energy: 2.4790126887350885
Energy: 2.456947050536636
Energy: 2.4756641747216697
Energy: 2.4759788135696823
Energy: 2.1050107740415247
Energy: 2.4782330022152026
Energy: 2.4781015146704646
Energy: 2.018867496817755
Energy: 2.4792592070378254
Energy: 2.1054704262299864
Energy: 2.455063297440916
Energy: 2.4752842125482486
Energy: 2.4759325974411928
Energy: 2.1051452328152482
Energy: 2.4766640334482264
Energy: 2.4591124572025955
Energy: 2.453072934751786
Energy: 2.480074003011823
Energy: 2.83185282223845
Energy: 2.1057684252397166
Energy: 2.479330991102429
Energy: 2.4532206600476245
Energy: 2.105767808655953
Energy: 2.4774969774475064
Energy: 2.82454087526037
Energy: 2.885466087880371
Energy: 2.477766626008249
Energy: 2.106852635216644
Energy: 2.0340302178410536
Energy: 2.0267506029412985
Energy: 2.47565740728604
Energy: 2.881125359506383
Energy: 2.475118256895553
Energy: 2.0268659818452535
Energy: 2.0180961245299143
Energy: 2.018283619883792
Energy: 2.831195213373123
Energy: 2.106664285326491
Energy: 2.477258474512064
Energy: 2.0181689204230575
Energy: 2.0234739520047706
Energy: 2.0282042173802766
Energy: 2.4760895552094757
Energy: 2.457971681450339
Energy: 2.47558423327289
Energy: 2.028258960532307
Energy: 2.049432243914585
Energy: 2.4768032512462104
Energy: 2.4770353057838017
Energy: 2.451470289086532
Energy: 2.476959299766246
Energy: 2.476308228053353
Energy: 2.0156329643764175
Energy: 2.4799363525020834
Energy: 2.832427111400046
Energy: 2.106338826118111
Energy: 2.4807070503017696
Energy: 2.0157166763429255
Energy: 2.45481892037857
Energy: 2.4756939131389104
Energy: 2.4764950192481043
Energy: 2.4568865659461223
Energy: 2.833696883852631
Energy: 2.4801014794220766
Energy: 2.106378676145056
Energy: 2.8324518426363317
Energy: 2.476687332931242
Energy: 2.4550158552879595
Energy: 2.4775883539694368
Energy: 2.5245664442463354
Energy: 2.887633344199093
Energy: 2.475983692320444
Energy: 2.482131937099802
Energy: 2.458082883215159
Energy: 2.476214653553402
Energy: 2.8828169916202557

minimum gb energy = 2.0156329643764175 eV
minimum distance =  2.25239997215978 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 3.306228318719636
Energy: 2.1633022699231157
Energy: 2.167584309455651
Energy: 2.1829935320175395
Energy: 2.178874868884643
Energy: 3.205563719940683
Energy: 2.1226480964679335
Energy: 2.086359182788865
Energy: 2.0845409172357896
Energy: 2.0886624042700186
Energy: 2.0842327359331643
Energy: 2.0821517482827643
Energy: 2.6067362186973844
Energy: 2.881382867440727
Energy: 2.084167391564339
Energy: 2.087212105805778
Energy: 2.0844873787117315
Energy: 2.405690116255977
Energy: 2.6111961766735976
Energy: 2.8808810573379002
Energy: 2.0886796967316745
Energy: 2.083824763194731
Energy: 2.531957799046171
Energy: 2.788914494200078
Energy: 2.6074511722901073
Energy: 2.8856346659290977
Energy: 2.6953257339966266
Energy: 2.608402525169359
Energy: 2.884547259529007
Energy: 2.789127166605257
Energy: 2.0855688916564796
Energy: 2.0910167964380912
Energy: 2.3786386047112122
Energy: 2.791732095363055
Energy: 2.8813618060760446
Energy: 2.087558376081485
Energy: 2.079179779031121
Energy: 2.0868426952766788
Energy: 2.693169448990314
Energy: 2.6085975292278287
Energy: 2.8816869528474887
Energy: 2.087650560149266
Energy: 2.0842064269027496
Energy: 2.0820114102762983
Energy: 2.08113894228065
Energy: 2.0829654026762134
Energy: 2.0810799811089105
Energy: 2.0822097498608176
Energy: 2.081953941841789
Energy: 2.0904261137638005
Energy: 2.4888462712996327
Energy: 3.0516107281118905
Energy: 2.083628279642147
Energy: 2.086818827602733
Energy: 2.2884531509935475
Energy: 2.0837156464580526
Energy: 2.082642940411458
Energy: 2.7043404516313667
Energy: 2.082966130344282
Energy: 2.0861465791097396
Energy: 2.273713481784384
Energy: 2.079934230522185
Energy: 2.212441364124897
Energy: 2.609548259361943
Energy: 2.0811186685763055
Energy: 2.081351021623353
Energy: 2.2741527419238574
Energy: 2.0865719989903893
Energy: 2.2111868256613936
Energy: 2.6089479662849078
Energy: 2.4869213186711225
Energy: 2.086146566417016
Energy: 2.2732566174958926
Energy: 2.488909273217966
Energy: 2.20973587945759
Energy: 2.6164568404180595
Energy: 2.4867564865810654
Energy: 2.5674380266734382
Energy: 2.7869119051012357
Energy: 2.4898547525469623
Energy: 2.174620792316449
Energy: 2.4046313046222814
Energy: 2.4894461874268026
Energy: 2.871774061855361
Energy: 2.423208371633836
Energy: 2.488444429267542
Energy: 2.043225304594065
Energy: 2.039566239280481
Energy: 2.0448862531442678
Energy: 2.4861535830164283
Energy: 2.2756078504851325
Energy: 2.485781634471522
Energy: 2.040299414264297
Energy: 2.0420170455708044
Energy: 2.039928734603549
Energy: 2.08510771630741
Energy: 3.057420716073589
Energy: 2.4879840253509014
Energy: 2.0445262886610482
Energy: 2.040807297214613
Energy: 2.0443207753989885
Energy: 2.7858940592700008
Energy: 3.059225209986792
Energy: 2.4880703728425733
Energy: 2.486788078452376
Energy: 2.6077225177323413
Energy: 2.4877298420677763
Energy: 2.785692644321812
Energy: 2.277267981155094
Energy: 2.4860530673992116
Energy: 2.0394615964936524
Energy: 2.4261255247767637
Energy: 2.039284084247347
Energy: 2.2758274458385332
Energy: 2.272694662050526
Energy: 2.086015483218567
Energy: 2.4873355105278887
Energy: 2.6076510983143613
Energy: 2.48716223028123
Energy: 2.281633537899605
Energy: 2.273914276284589
Energy: 2.079485336332811
Energy: 2.5397951298612766
Energy: 2.3645500949575733
Energy: 2.08068849252474
Energy: 2.2741513360303536
Energy: 2.274447681724797
Energy: 2.0852939583619583
Energy: 2.0414158336634793
Energy: 3.3126899120087447
Energy: 2.082425325866271
Energy: 2.2834449994958677
Energy: 2.080839938583749
Energy: 2.086627893605582
Energy: 2.082997368283155
Energy: 3.3267745362578074
Energy: 2.08261244825991
Energy: 2.085923553550446
Energy: 2.0808633769072102
Energy: 2.081136169763959
Energy: 2.487256446633659
Energy: 2.4127301939054
Energy: 2.081638343496046
Energy: 2.081143412274704
Energy: 2.0810101374364653
Energy: 2.08834565672653
Energy: 2.884079028051529
Energy: 2.60655859278702
Energy: 2.8845210850572216
Energy: 2.08716424845637
Energy: 2.0863927557543964
Energy: 2.880792616477957
Energy: 2.5331105337154
Energy: 2.610615528865331
Energy: 2.88128642635886
Energy: 2.214233960467635
Energy: 2.790467592003417
Energy: 2.535795575525583
Energy: 2.8812181411469577
Energy: 2.090325678340003
Energy: 2.880855760599869
Energy: 2.378669988329357
Energy: 2.7877002543813267
Energy: 2.8851360469121334
Energy: 2.0875831169360097
Energy: 2.0819706128269337
Energy: 2.0880040182312025
Energy: 2.6940322214160353
Energy: 2.0821063249808938
Energy: 2.082927644844899
Energy: 2.0806236118979355
Energy: 2.082749346114011
Energy: 2.081223435615897
Energy: 2.2115513358501357
Energy: 3.06053573288911
Energy: 2.082997742701142
Energy: 2.0863156659410147
Energy: 2.081870586450648
Energy: 2.0870101639479888
Energy: 2.48659693845688
Energy: 3.054279194449525
Energy: 2.0833452715229854
Energy: 2.088111940429469
Energy: 2.2752931230227897
Energy: 2.0851971437597467
Energy: 2.4868820202308246
Energy: 2.3611206348547586
Energy: 2.0804535080992395
Energy: 2.079671115355126
Energy: 2.2737450961597823
Energy: 2.0794429580502056
Energy: 2.215646418359833
Energy: 2.608720873158305
Energy: 2.488242498771551
Energy: 2.0845778372691286
Energy: 2.274544329589069
Energy: 2.084151885001134
Energy: 2.2151733672810816
Energy: 2.608074648310436
Energy: 2.03934915561017
Energy: 2.0854848965513333
Energy: 2.2805123609534412
Energy: 2.4866460926349374
Energy: 2.606433607450523
Energy: 2.60884496655007
Energy: 2.4879725249479137
Energy: 2.8719464363600595
Energy: 2.8003536302503758
Energy: 2.4888568018517616
Energy: 2.214461236038729
Energy: 2.0428014509815653
Energy: 2.045032777846465
Energy: 2.4898610466569457
Energy: 2.7871197870543054
Energy: 2.488487206345116
Energy: 2.04387212568812
Energy: 2.0406203762670776
Energy: 2.0401307013459964
Energy: 2.1911035214679844
Energy: 2.2768223034233275
Energy: 2.0401524393687853
Energy: 2.0398114265743725
Energy: 2.0394197572149113
Energy: 2.045493594357943
Energy: 2.4872633061314358
Energy: 2.274440035927652
Energy: 2.4875777540429875
Energy: 2.04336271531511
Energy: 2.3809199725786048
Energy: 2.4872244080667563
Energy: 2.7915967759149005
Energy: 3.0513811458528664
Energy: 2.4883847120712215
Energy: 2.360199499230231
Energy: 2.429626617536584
Energy: 2.4879298132057963
Energy: 2.4870472977046987
Energy: 2.234572885165248
Energy: 2.487302523740713
Energy: 2.4041575718145642
Energy: 2.6065524028436964
Energy: 2.4863480926744597
Energy: 2.0857788112220503
Energy: 2.279275580624536
Energy: 2.0851919867753717
Energy: 2.4049944254051088
Energy: 2.359674396564999
Energy: 2.4873947882794734
Energy: 2.0808471559913824
Energy: 2.277614142049199
Energy: 2.0801849915537485
Energy: 2.6790496698089123
Energy: 3.3189629874949054
Energy: 2.0835836755519717
Energy: 2.0862067538848104
Energy: 2.2749376105351975
Energy: 2.084622944762664
Energy: 2.040683594308004

minimum gb energy = 2.039284084247347 eV
minimum distance =  2.25952921860099 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.6608647640770933
Energy: 2.8793485889336354
Energy: 2.1201567785519737
Energy: 2.0801732652628853
Energy: 2.0678022170468635
Energy: 2.8797094691699288
Energy: 2.1195935543309616
Energy: 2.066286394624444
Energy: 2.0647125181748964
Energy: 2.0683802958829833
Energy: 2.064764864713008
Energy: 2.0656533335690397
Energy: 2.3920584930699293
Energy: 2.1748703324384175
Energy: 2.06691952605796
Energy: 2.068517674329866
Energy: 2.067605388617428
Energy: 2.065455641586953
Energy: 2.3954638934502173
Energy: 2.4825238629495208
Energy: 2.0731343181532327
Energy: 2.0658042281551094
Energy: 2.4734388537531573
Energy: 2.4780579203369593
Energy: 2.4000193449977516
Energy: 2.4835271539406056
Energy: 2.483575094338634
Energy: 2.6614842294780856
Energy: 2.822887504152325
Energy: 2.4758863471489043
Energy: 2.0769926338189824
Energy: 2.0762344327227606
Energy: 2.005569767026762
Energy: 2.6647129589966965
Energy: 2.4867555802523236
Energy: 2.0787912611856867
Energy: 2.0715269855550202
Energy: 2.0701160389380022
Energy: 2.4738357577370698
Energy: 2.396351675074577
Energy: 2.827609714496363
Energy: 2.0693181129578715
Energy: 2.0632921996192697
Energy: 2.0683637363437284
Energy: 2.0692434797282853
Energy: 2.52767207454381
Energy: 2.0713707568682
Energy: 2.066466714926424
Energy: 2.070424984315385
Energy: 2.0701167628720802
Energy: 2.484589197908154
Energy: 3.094516090535596
Energy: 2.0656478593943044
Energy: 2.069150463147635
Energy: 2.3915222543336916
Energy: 2.0645202939686866
Energy: 2.0660807438743674
Energy: 2.8066478858995705
Energy: 2.066685483845887
Energy: 2.069175127390685
Energy: 2.123035048215932
Energy: 2.0666211193159754
Energy: 2.0652576593503476
Energy: 2.3923207954378722
Energy: 2.0670956005026007
Energy: 2.066536094917143
Energy: 2.3920344318371694
Energy: 2.0645232483001177
Energy: 2.0633359513004135
Energy: 2.402607705407369
Energy: 2.0633778920490933
Energy: 2.0661430106449012
Energy: 2.0781132357169088
Energy: 2.069068155338202
Energy: 2.0633814794715994
Energy: 2.3980562388510807
Energy: 2.065405775060507
Energy: 2.503148008628143
Energy: 2.66172840443667
Energy: 2.0697618727112874
Energy: 2.0660478042984685
Energy: 2.157710937374542
Energy: 2.067132473395718
Energy: 2.0073832229324453
Energy: 2.119259661113542
Energy: 2.067440158010256
Energy: 2.063953194042265
Energy: 2.0669693704328287
Energy: 2.064924777528059
Energy: 2.065712526002914
Energy: 2.3918961159254413
Energy: 2.174522077009785
Energy: 2.067499389590053
Energy: 2.0654588138854995
Energy: 2.065698566488329
Energy: 2.0676515499209516
Energy: 2.399495570524164
Energy: 2.4811277419809534
Energy: 2.066373799893321
Energy: 2.0645996443249968
Energy: 2.065896798271336
Energy: 2.479319670145117
Energy: 3.103597690732166
Energy: 2.4817187470401456
Energy: 2.4744932560281994
Energy: 2.395788109687008
Energy: 2.8245299046340455
Energy: 2.47831430635861
Energy: 2.078117611771089
Energy: 2.1744790575863435
Energy: 2.0050624030308293
Energy: 2.6637395673590105
Energy: 2.4720058820155413
Energy: 2.0757162492947856
Energy: 2.075302731490783
Energy: 2.066775178331559
Energy: 2.4759296459126086
Energy: 2.396651948549854
Energy: 2.8246784164279233
Energy: 2.069675533615872
Energy: 2.067466013356383
Energy: 2.0673099331857228
Energy: 2.068597464023082
Energy: 2.5284253755299115
Energy: 2.07232874624427
Energy: 2.0671861417588304
Energy: 2.07379942420253
Energy: 2.068020903467578
Energy: 2.4818671061348336
Energy: 3.097323688224624
Energy: 2.0658888139259233
Energy: 2.0689405660169355
Energy: 2.391510222648823
Energy: 2.066813163381178
Energy: 2.066167693394593
Energy: 3.104156889559221
Energy: 2.066205266770129
Energy: 2.064809895845804
Energy: 2.121390174681614
Energy: 2.065124185651335
Energy: 2.068227490360966
Energy: 2.3928512908198165
Energy: 2.0633126002596645
Energy: 2.0659459170658057
Energy: 2.3917011102517907
Energy: 2.064335844361241
Energy: 2.063489894603597
Energy: 2.3968936786559367
Energy: 2.068100058414763
Energy: 2.0652865270473786
Energy: 2.1047683781740023
Energy: 2.0703830163154526
Energy: 2.067391882774431
Energy: 2.4012144115979437
Energy: 2.064986052559788
Energy: 2.591483709436639
Energy: 2.6647074032664664
Energy: 2.0657903724040967
Energy: 2.0654256676339253
Energy: 2.139164314637166
Energy: 2.067391883734215
Energy: 2.0074152092675708

minimum gb energy = 2.0050624030308293 eV
minimum distance =  2.30235227489789 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 3.118021326472147
Energy: 2.1675344011093505
Energy: 2.2182436415548987
Energy: 2.218088616786778
Energy: 2.0802951751500296
Energy: 2.982331807379223
Energy: 2.0214928853580347
Energy: 2.0780861794529493
Energy: 2.078308630171009
Energy: 2.078701149239839
Energy: 2.077737708076624
Energy: 2.077529494629106
Energy: 2.3327556490010717
Energy: 2.470121977859139
Energy: 2.078399518542321
Energy: 2.08496442543457
Energy: 2.078892062722181
Energy: 2.0823823299168667
Energy: 2.7407638684744535
Energy: 2.4708070811656215
Energy: 2.081895299935987
Energy: 2.078849098529576
Energy: 2.4700479352802374
Energy: 2.519855912329603
Energy: 2.8290817388423775
Energy: 2.4696911814534963
Energy: 2.4703809669121823
Energy: 2.133045901570035
Energy: 2.469977825386145
Energy: 2.5199390691984798
Energy: 2.02484198538224
Energy: 2.025923286692228
Energy: 2.8082312799214035
Energy: 2.5351649621625416
Energy: 2.4705938302618593
Energy: 2.0253210178298215
Energy: 2.0231353396645657
Energy: 2.0227099481690756
Energy: 2.4702114815541134
Energy: 2.0780250103985782
Energy: 2.470743040628085
Energy: 2.024188927913622
Energy: 2.027781342176262
Energy: 2.0221551493714585
Energy: 2.4701756707989597
Energy: 2.2915742426451464
Energy: 2.4713833215414525
Energy: 2.0224290357678223
Energy: 2.024675940572134
Energy: 2.026039200563577
Energy: 2.4703880024124625
Energy: 2.8306720896323148
Energy: 2.470424115353863
Energy: 2.025614336836943
Energy: 2.332351749711752
Energy: 2.469831363569343
Energy: 2.4705795449821513
Energy: 2.0782258378787026
Energy: 2.470094843862395
Energy: 2.728953290791421
Energy: 2.5359533413547544
Energy: 2.470616562134633
Energy: 2.082065938195468
Energy: 2.0790740812059108
Energy: 2.4705695636357103
Energy: 2.531227463530072
Energy: 2.3327458406290553
Energy: 2.470182290218883
Energy: 2.079087644269833
Energy: 2.077789716255527
Energy: 2.079784603870289
Energy: 2.336334881597232
Energy: 2.462371725101495
Energy: 2.077449712421369
Energy: 2.078035318596654
Energy: 2.0783515462254805
Energy: 2.0774459527567077
Energy: 2.078440129944658
Energy: 2.8273003989733096
Energy: 2.078998736905684
Energy: 2.0824891125809546
Energy: 2.080760137144851
Energy: 2.0805946091964387
Energy: 2.4697304918718457
Energy: 2.076782254378947
Energy: 2.0778119417273784
Energy: 2.0794778905916185
Energy: 2.332944379382672
Energy: 2.0784922088648328
Energy: 2.078352274967275
Energy: 2.3332065622735603
Energy: 2.081260111531149
Energy: 2.0777258527110782
Energy: 2.3392499102631805
Energy: 2.0777008943543622
Energy: 2.336001060780857
Energy: 2.334181696873394
Energy: 2.0779038456251193
Energy: 2.0826695210749615
Energy: 2.3334743029426
Energy: 2.080121199744593
Energy: 2.3356815389335175
Energy: 2.3323553896506017
Energy: 2.0785545075087666
Energy: 2.077408868743268
Energy: 2.469649462354158
Energy: 2.0781575620625374
Energy: 2.3338501580202218
Energy: 2.217898034740057
Energy: 2.218770183236504
Energy: 2.1677662377320366
Energy: 3.1224582880873153
Energy: 2.0808189258317937
Energy: 2.218276882202401
Energy: 2.078301192438747
Energy: 2.0780257539334586
Energy: 2.0774789783437373
Energy: 2.4700863333758596
Energy: 2.0779217761144535
Energy: 2.0788690642219176
Energy: 2.0844339734233936
Energy: 2.078541187396754
Energy: 2.470016673054902
Energy: 2.3331521942186932
Energy: 2.2380762220337154
Energy: 2.0782917386777178
Energy: 2.078642035347156
Energy: 2.0817309644263355
Energy: 2.4733276468725984
Energy: 2.8294736541847785
Energy: 2.470016835999288
Energy: 2.0809887926824793
Energy: 2.131419010827876
Energy: 2.4691212058978476
Energy: 2.469768276450303
Energy: 2.5161437055682865
Energy: 2.4698580813523785
Energy: 2.4707103139480266
Energy: 2.532012921633867
Energy: 2.4692866779945017
Energy: 2.027186349756394
Energy: 2.025150819631785
Energy: 2.4699232019596495
Energy: 2.813183461920862
Energy: 2.0777963335743967
Energy: 2.469783973934669
Energy: 2.0241882228655563
Energy: 2.0235005723406805
Energy: 2.0224726917936704
Energy: 2.469742680451163
Energy: 2.2918111230647904
Energy: 2.470285916872098
Energy: 2.022257069641001
Energy: 2.0261730628801944
Energy: 2.022431171687056
Energy: 2.0800705618402158
Energy: 2.830746519044717
Energy: 2.4704850239661695
Energy: 2.025827102092942
Energy: 2.024828761711123
Energy: 2.470737609499306
Energy: 2.7757762074863614
Energy: 2.544397269307668
Energy: 2.4704153145417105
Energy: 2.4704229028612597
Energy: 2.332600027570937
Energy: 2.469790350784576
Energy: 2.4693769857909498
Energy: 2.078863613626528
Energy: 2.0821764052684677
Energy: 2.472495030907033
Energy: 2.536944888048161
Energy: 2.470678263620724
Energy: 2.081028297676882
Energy: 2.0768071199097733
Energy: 2.07902129249468
Energy: 2.470653002805405
Energy: 2.3331532997194806
Energy: 2.4696246645296145
Energy: 2.078892426469839
Energy: 2.0836858635106332
Energy: 2.0774918301215712
Energy: 2.077703168198246
Energy: 2.4625837107360846
Energy: 2.0774334643208383
Energy: 2.0785517180553033
Energy: 2.080469839635328
Energy: 2.079149240790642
Energy: 2.469302457941638
Energy: 2.8304500708387006
Energy: 2.079066228825079
Energy: 2.0816882137766504
Energy: 2.3324622145259326
Energy: 2.078835725110104
Energy: 2.0781658280676956
Energy: 2.077023623108008
Energy: 2.078474655342975
Energy: 2.079813795281889
Energy: 2.138554208842735
Energy: 2.0779136968669834
Energy: 2.082817093610716
Energy: 2.333450801432761
Energy: 2.0776510817591367
Energy: 2.0781207526419134
Energy: 2.333201542737563
Energy: 2.081866812355384
Energy: 2.0779246921534322
Energy: 2.3343319801691806
Energy: 2.077958688572729
Energy: 2.0828574724943834
Energy: 2.4686524953370856
Energy: 2.0777945590801585
Energy: 2.078756850337008
Energy: 2.3327195884174077
Energy: 2.0782538174118494
Energy: 2.0775589547673707

minimum gb energy = 2.0214928853580347 eV
minimum distance =  2.22060154740824 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.8987504428940805
Energy: 1.899402370161194
Energy: 1.9013860017355204
Energy: 1.902074146060965
Energy: 2.1595135006555615
Energy: 1.8988518453750451
Energy: 1.8997947381547073
Energy: 2.1597119999485757
Energy: 1.9024584341569921
Energy: 1.9020201172278477
Energy: 1.9019251728810664
Energy: 2.160649964012691
Energy: 2.1621604773891976
Energy: 2.160567287918099
Energy: 1.9022593860588322
Energy: 1.9015180460106818
Energy: 1.901582302960249
Energy: 2.160988570166466
Energy: 3.140120535954857
Energy: 2.1612255312403645
Energy: 1.9024481117889187
Energy: 1.901745254833723
Energy: 2.1610772498624296
Energy: 2.161315189366851
Energy: 2.1597960215499
Energy: 2.161295962662926
Energy: 2.158679675707304
Energy: 1.8991602917902703
Energy: 2.1623416496865975
Energy: 2.161118887659072
Energy: 1.901806379021981
Energy: 1.9021340821321784
Energy: 1.8989940068334024
Energy: 1.9038337731977355
Energy: 2.1597947413043785
Energy: 1.9018587209409805
Energy: 1.9019435034952528
Energy: 1.902316675629278
Energy: 2.1607266037499437
Energy: 2.1600352628281443
Energy: 2.159155988463624
Energy: 1.9020598151072932
Energy: 1.9019348337303306
Energy: 1.902097487278336
Energy: 2.1607570297848784
Energy: 2.161433484072319
Energy: 2.1609001157000085
Energy: 1.902028778727858
Energy: 1.9019047083717608
Energy: 1.9018480506879232
Energy: 2.1610966650673253
Energy: 3.139295181330429
Energy: 2.1608866932000743
Energy: 1.9025232644096646
Energy: 1.9000469223339558
Energy: 2.1605169307257315
Energy: 2.15998628685893
Energy: 2.1605886555789984
Energy: 2.1610054106438983
Energy: 2.1596784390843777

minimum gb energy = 1.8987504428940805 eV
minimum distance =  2.31003992494281 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 3.0078653713235988
Energy: 2.270245208548107
Energy: 2.0381629135711834
Energy: 2.0384096237925298
Energy: 2.039134512468267
Energy: 2.057980549709134
Energy: 2.4169350103989955
Energy: 2.2361850610398295
Energy: 2.2362450471003554
Energy: 2.2362882034844316
Energy: 2.2363194419206462
Energy: 2.4253107457987837
Energy: 2.2365986354572147
Energy: 2.2374108098780416
Energy: 2.2362266329173406
Energy: 2.242447723616603
Energy: 2.2358400780674805
Energy: 2.2376150013910903
Energy: 2.237776989629412
Energy: 2.236153585660139
Energy: 2.2377116591581876
Energy: 2.0393175500233967
Energy: 2.236102692298981
Energy: 2.2360275317140363
Energy: 2.235975780416169
Energy: 2.236127902608815
Energy: 2.4401182977748173
Energy: 2.692276270237615
Energy: 2.2369022233344666
Energy: 2.2360951336235373
Energy: 2.692849190338446
Energy: 2.2383780002013376
Energy: 2.0343273516784257
Energy: 3.378509199891336
Energy: 2.438330278556127
Energy: 2.6940883530137305
Energy: 2.4128648835736732
Energy: 2.236264219599221
Energy: 2.4425175807537167
Energy: 2.2361889232659746
Energy: 2.236663705597802
Energy: 2.236356607083655
Energy: 2.4131869471104257
Energy: 2.2362335804741336
Energy: 2.0393981691024368
Energy: 2.0397089552981655
Energy: 2.0363050350349714
Energy: 2.2360970201763397
Energy: 2.6930577976352255
Energy: 2.4386817338794335
Energy: 2.0353321027970988
Energy: 2.0385349685203966
Energy: 2.0354330948283077
Energy: 2.693048863438745
Energy: 2.692398588002865
Energy: 2.2808155679045257
Energy: 2.0379056607323265
Energy: 2.0431641785216734
Energy: 2.0355187408675617
Energy: 2.038717920814657
Energy: 2.715153818854981
Energy: 2.0360994549474314
Energy: 2.2803473288637925
Energy: 2.462410366842646
Energy: 2.280994415098912
Energy: 2.234990861900422
Energy: 2.692873489904352
Energy: 2.2809184107114704
Energy: 2.03596231584008
Energy: 3.0110990325782923
Energy: 2.036223267075608
Energy: 2.4318076442567924
Energy: 2.0434997247147635
Energy: 2.0371766097811332
Energy: 2.0358727194281867
Energy: 3.011751158974394
Energy: 2.2805151003605784
Energy: 2.040722872811025
Energy: 2.036382526084092
Energy: 2.035540555213148
Energy: 2.693981238228677
Energy: 2.462157665848368
Energy: 2.038529459200202
Energy: 2.035318317730359
Energy: 2.038569854260103
Energy: 2.0368858184118555
Energy: 2.2364806900999317
Energy: 2.236633483948807
Energy: 2.2363610978268706
Energy: 2.0358485956513968
Energy: 2.237692604222414
Energy: 2.237519851604333
Energy: 2.236406951080058
Energy: 2.717034556232928
Energy: 2.236449107755243
Energy: 2.2379507792981417
Energy: 3.008161211995336
Energy: 2.4382788440795804
Energy: 2.237298391181571
Energy: 2.4719870195927447
Energy: 2.2378184399706087
Energy: 2.7068806009775237
Energy: 3.0080996148738866
Energy: 2.2364303296378374
Energy: 2.2369057205200273
Energy: 2.2366534287091056
Energy: 2.236894748260259
Energy: 2.0117042459335557
Energy: 2.237543492031945
Energy: 2.2360137052531663
Energy: 2.2358250735636993
Energy: 2.2383783380473985
Energy: 2.2359191112026675
Energy: 2.2381981838903604
Energy: 2.2361428722765204
Energy: 2.236531862320474
Energy: 2.2366692516498428
Energy: 2.2363185407897306
Energy: 2.236524606324593
Energy: 2.2364296997743223
Energy: 2.2359630067570975
Energy: 2.236092356109716
Energy: 2.4382424147435384
Energy: 2.2360990207864
Energy: 2.238297299740366
Energy: 2.2358575331014245
Energy: 2.2379363243959087
Energy: 2.2376578814234986
Energy: 2.3795367831404874
Energy: 3.3790034298711067
Energy: 2.441728885888932
Energy: 2.2377168444526436
Energy: 2.6954381267234275
Energy: 2.236547750858938
Energy: 2.4432514232498397
Energy: 2.431126581112769
Energy: 2.4385985843290445
Energy: 2.2365565189447074
Energy: 2.4135488193599275
Energy: 2.236706156558594
Energy: 2.0388857491118717
Energy: 2.043862000799733
Energy: 2.236313981297432
Energy: 2.41307140418794
Energy: 2.69714774938201
Energy: 2.2369153950797958
Energy: 2.0358486745586695
Energy: 2.0373772612641035
Energy: 2.0359859196019428
Energy: 2.2366315415193654
Energy: 2.692928437533773
Energy: 2.280890032721896
Energy: 2.0354499130903063
Energy: 2.0387877919266186
Energy: 2.0354717377565614
Energy: 2.2804506404183127
Energy: 2.712806948940429
Energy: 2.0360223883681985
Energy: 2.0443735968009977
Energy: 2.050792271532867
Energy: 2.0361304809466705
Energy: 2.2349022839608943
Energy: 2.692696613923399
Energy: 2.0360256825962417
Energy: 2.03760775263647
Energy: 2.261850871638921
Energy: 2.0361059011377787
Energy: 2.0381911707816203
Energy: 2.045009474970759
Energy: 2.043480428711534
Energy: 2.056677163759858
Energy: 3.0163834459626355
Energy: 2.0363377303232233
Energy: 2.03826918003185
Energy: 2.0381392820475663
Energy: 2.03559616352624
Energy: 2.0388309469773356
Energy: 2.6925798040811415
Energy: 2.036328389966683
Energy: 2.035914394504012
Energy: 2.036476318737429
Energy: 2.0359642062098704
Energy: 2.237278479128934
Energy: 2.6929867910164864
Energy: 2.440611565305517
Energy: 2.0363121928913555
Energy: 2.0428242347404084
Energy: 2.212231776772081
Energy: 2.2364298823073394
Energy: 2.7178563730627454
Energy: 2.23660367877918
Energy: 2.039802611614638
Energy: 2.41709465315577
Energy: 2.4433181301101228
Energy: 2.2363558810624347
Energy: 2.69649563318473
Energy: 2.236986336974324
Energy: 2.012772255726682

minimum gb energy = 2.0117042459335557 eV
minimum distance =  2.27270134453263 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 2.49965293732881
Energy: 2.0183910097415776
Energy: 2.017109952222011
Energy: 2.0159333774334534
Energy: 2.677073085933578
Energy: 3.197343233134892
Energy: 2.5033139878040993
Energy: 2.258107683340064
Energy: 2.2579682331157347
Energy: 2.2577014501447517
Energy: 2.2580861241977614
Energy: 2.598586558301857
Energy: 2.2662001376917824
Energy: 2.2593003126873556
Energy: 2.257559931922507
Energy: 2.2617109004903324
Energy: 2.2579976523969796
Energy: 2.2670438698893594
Energy: 2.2577030794335116
Energy: 2.2571718404759435
Energy: 2.2588746852519
Energy: 2.0186873144061206
Energy: 2.2586277015490555
Energy: 2.2572495277949702
Energy: 2.273010129595305
Energy: 2.2575373253309494
Energy: 2.437787801063722
Energy: 2.2662299942354216
Energy: 2.2574549999690645
Energy: 2.258058572719605
Energy: 2.6518435578073447
Energy: 2.2676724570971056
Energy: 2.255682245825092
Energy: 2.959101445098626
Energy: 2.4383242235536637
Energy: 2.658513912511532
Energy: 2.4995890539144687
Energy: 2.2571410075352616
Energy: 2.4368341036669388
Energy: 2.2655527718351878
Energy: 2.441881684740364
Energy: 2.2574222339698244
Energy: 2.509870153623048
Energy: 2.257187993280732
Energy: 2.0177289600754746
Energy: 2.018209258838765
Energy: 2.016742928856172
Energy: 2.499962961627388
Energy: 2.654849392589645
Energy: 2.0165917669785802
Energy: 2.0148900721283107
Energy: 2.018249248974339
Energy: 2.0147775279447866
Energy: 2.654307120755951
Energy: 2.7336423043200244
Energy: 2.2587778368055718
Energy: 2.0158439162532105
Energy: 2.016231777080227
Energy: 2.016010751265488
Energy: 2.2576380843843737
Energy: 2.9646469589876676
Energy: 2.257566281759612
Energy: 2.150257033085279
Energy: 2.2657477385290905
Energy: 2.2580948370475737
Energy: 2.2576866243086515
Energy: 2.3911970371429883
Energy: 2.258156053576687
Energy: 2.012232312624836
Energy: 3.4402147767855005
Energy: 2.4389851791752455
Energy: 2.0166753473751515
Energy: 2.020351025021616
Energy: 2.258766286543038
Energy: 2.013074763896464
Energy: 2.5026082292543084
Energy: 2.438544314869026
Energy: 2.2602257894244286
Energy: 2.2595465307986973
Energy: 2.2573060526909647
Energy: 2.265714084546925
Energy: 2.2656794230858073
Energy: 2.2576160119477025
Energy: 2.257387587740213
Energy: 2.2577002203451637
Energy: 2.257784881621031
Energy: 2.2573480231577574
Energy: 2.258544851477775
Energy: 2.258345260215855
Energy: 2.2581109457654427
Energy: 2.2671507528978396
Energy: 2.2584698583959817
Energy: 2.2568993643838797
Energy: 2.266407766331813
Energy: 2.2568511717228468
Energy: 2.2609174393476064
Energy: 2.9619066177678124
Energy: 2.4375050524022535
Energy: 2.267899007105403
Energy: 2.2660026154360398
Energy: 2.2592258691076794
Energy: 2.2624600607114225
Energy: 2.970504793868642
Energy: 2.441490813716459
Energy: 2.258208409815799
Energy: 2.6528300383592724
Energy: 2.2581355201040214
Energy: 2.0157042985029814
Energy: 2.260756572391401
Energy: 2.1016888981224517
Energy: 2.499595608056125
Energy: 2.503558165534142
Energy: 2.257284392570954
Energy: 2.257290394276762
Energy: 2.0202869412543305
Energy: 2.015610573045523
Energy: 2.257678417561646
Energy: 2.7299189003127617
Energy: 2.4395730176032284
Energy: 2.0156096560522103
Energy: 2.020684982765431
Energy: 2.0151604087220267
Energy: 2.2587176218840685
Energy: 2.379137390285527
Energy: 2.0185481037093336
Energy: 2.0151096223659817
Energy: 2.033123406849586
Energy: 2.0177980138271243
Energy: 2.2574448174144868
Energy: 2.9665834278403818
Energy: 2.257822833119215
Energy: 2.0316597630181388
Energy: 2.5051217903924003
Energy: 2.590697004085244
Energy: 2.257764854207995
Energy: 2.7360109241495247
Energy: 2.2576338881147993
Energy: 2.596467331599386

minimum gb energy = 2.012232312624836 eV
minimum distance =  2.27486257549113 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 3.1817418558973825
Energy: 2.4558755259940797
Energy: 2.3237032850881048
Energy: 2.3235602183786375
Energy: 2.324375976979533
Energy: 3.1072748956971576
Energy: 2.2585082012643927
Energy: 2.311831182315178
Energy: 2.440906903884659
Energy: 2.4402887422753676
Energy: 2.4404189669288177
Energy: 2.0176048509627544
Energy: 2.1372519088718307
Energy: 2.139566172299441
Energy: 2.4398342576573846
Energy: 2.2646937792930757
Energy: 2.4398161744068827
Energy: 2.1400063726905234
Energy: 2.135329288785851
Energy: 2.1344289753633077
Energy: 2.443317167304169
Energy: 2.3238708339733325
Energy: 2.134584190443466
Energy: 2.134401755181909
Energy: 2.135906920505224
Energy: 2.138551182310714
Energy: 2.1389372046676165
Energy: 2.323866137914223
Energy: 2.1385799375752343
Energy: 2.1387807504494214
Energy: 2.20097707596036
Energy: 2.408526277562216
Energy: 2.1351064464148015
Energy: 2.9045289364102773
Energy: 2.135404984969104
Energy: 2.204215398690163
Energy: 3.220536097018957
Energy: 2.136835578235313
Energy: 2.140085236079501
Energy: 2.3240693903750054
Energy: 2.4724722971544706
Energy: 2.258683875347952
Energy: 3.22864043580436
Energy: 2.1360071239754492
Energy: 2.141506292134629
Energy: 2.1382682919128015
Energy: 2.1410119680186255
Energy: 2.257673774915512
Energy: 2.323849782270253
Energy: 2.1381354705360436
Energy: 2.135342978661045
Energy: 2.1424887430455914
Energy: 2.1353536741125176
Energy: 2.3240746346383077
Energy: 2.4406705149765933
Energy: 2.442494483440148
Energy: 2.137170951221942
Energy: 2.1365457317173946
Energy: 2.1372832074264867
Energy: 2.4410228530665714
Energy: 2.443859223491189
Energy: 2.439559631605299
Energy: 2.1452285929912147
Energy: 2.1378790855189007
Energy: 2.4410720425219274
Energy: 2.439426222231044
Energy: 2.441185892356846
Energy: 2.4419772241029927
Energy: 2.013067156673778
Energy: 2.321526189190945
Energy: 2.013441926121892
Energy: 2.4429677018648817
Energy: 2.8052608275933846
Energy: 2.4431859127012
Energy: 2.0131520075114477
Energy: 2.409058874582751
Energy: 2.013290092876108
Energy: 2.801003211405827
Energy: 2.6246921420907796
Energy: 2.4413224077973816
Energy: 2.139090717722897
Energy: 2.1382695934247913
Energy: 2.4404058249585185
Energy: 2.6193107103313253
Energy: 2.6197076314948333
Energy: 2.442123769871766
Energy: 2.0169748954663937
Energy: 2.01563483458024
Energy: 2.016839968610583
Energy: 2.44167986320444
Energy: 2.8588646614993096
Energy: 2.014853161168593
Energy: 2.0118321469121
Energy: 2.0140656891486923
Energy: 2.011850326262513
Energy: 2.6757698728118666
Energy: 2.4431289447755433
Energy: 2.4400418990650814
Energy: 2.019664756457831
Energy: 2.016240048053042
Energy: 2.0189151435376886
Energy: 2.4401325085453385
Energy: 2.8051176311476183
Energy: 2.440189574511505
Energy: 2.017946144181962
Energy: 2.1465938154378152
Energy: 2.440314956206649
Energy: 2.440492603140229
Energy: 2.858516911192143
Energy: 2.3239500803140665
Energy: 2.010518989583375
Energy: 3.1837819385283157
Energy: 2.011817490244096
Energy: 2.674446570425887
Energy: 2.440374790462276
Energy: 2.4409779823746107
Energy: 2.0163882434669818
Energy: 2.258115779024
Energy: 2.3116481575179595
Energy: 2.441530972843911
Energy: 2.2584113912847426
Energy: 2.4397149603147796
Energy: 2.1404768036779886
Energy: 2.1445170353989877
Energy: 2.3109059929899867
Energy: 2.439531351845787
Energy: 2.324170296277217
Energy: 2.3107305040284363
Energy: 2.134674328595107
Energy: 2.1370824095654095
Energy: 2.1348548348344805
Energy: 2.4428081603965612
Energy: 2.3239648149042456
Energy: 2.1381199103171946
Energy: 2.1380988428866963
Energy: 2.1363274110660186
Energy: 2.137845764281261
Energy: 2.1393111991786817
Energy: 2.9009755252159355
Energy: 2.1348765970697077
Energy: 2.146814435057342
Energy: 2.1453500509590326
Energy: 2.170087656975066
Energy: 2.8891559018888593
Energy: 2.3234939076221686
Energy: 2.1393712243361964
Energy: 2.137817755264128
Energy: 2.385730839856528
Energy: 2.137907174921613
Energy: 2.1391764252408882
Energy: 2.138501551225666
Energy: 2.1418459973900874
Energy: 2.2572463359055437
Energy: 2.6262085327257303
Energy: 2.136001315033249
Energy: 2.1396905526320698
Energy: 2.1446732249751297
Energy: 2.1362524171031994
Energy: 2.1397192291163636
Energy: 2.3240215854255943
Energy: 2.1363021125601684
Energy: 2.136102647340476
Energy: 2.14338121032824
Energy: 2.1365162297749123
Energy: 2.4410967752556063
Energy: 2.441085692435812
Energy: 2.315342017861942
Energy: 2.1363822101099816
Energy: 2.137848322934821
Energy: 2.3114387449720777
Energy: 2.439367479631225
Energy: 2.442866935827588
Energy: 2.4419943260584396
Energy: 2.1386117686545694
Energy: 2.3220570211351825
Energy: 2.0137916974842938
Energy: 2.4420516628995084
Energy: 2.4411517479651303
Energy: 2.4412391964177593
Energy: 2.1348561170473226
Energy: 3.460586113954876
Energy: 2.0124724551706086
Energy: 2.4447929927360703
Energy: 2.8014807735234823
Energy: 2.442644638623633
Energy: 2.5487893746500725
Energy: 2.1386004151620734
Energy: 2.5113111839417868
Energy: 2.4410776607451865
Energy: 2.6193607365861964
Energy: 2.440893101844866
Energy: 2.136797475572062
Energy: 2.011436300800255
Energy: 2.01768725671023
Energy: 2.4416764749156767
Energy: 2.6195444556088336
Energy: 2.0166125424856376
Energy: 2.0178592059353386
Energy: 2.011123808441146
Energy: 2.011356738273356
Energy: 2.8010558008664734
Energy: 2.858721757884369
Energy: 2.0142025343735375
Energy: 2.0112370664319466
Energy: 2.0151271355002347
Energy: 2.019023942877794
Energy: 2.440212380293773
Energy: 2.9317180602420105
Energy: 2.4403810692123717
Energy: 2.0195173655044023
Energy: 2.145945777425804
Energy: 2.0183239349427393
Energy: 2.440043704913601
Energy: 2.802374766243498
Energy: 2.439852446188159
Energy: 2.1469902658980553
Energy: 3.1829732799194863
Energy: 2.012140862745476
Energy: 2.85712118794502
Energy: 2.858489161667513
Energy: 2.444372325686051
Energy: 2.2569357267781402

minimum gb energy = 2.010518989583375 eV
minimum distance =  2.22820950317017 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 2.6421348942592457
Energy: 2.643849846174718
Energy: 2.279810438624562
Energy: 2.411810180410357
Energy: 2.279294485616712
Energy: 2.6425227972250664
Energy: 2.7057649537949375
Energy: 1.971290459843615
Energy: 2.249157509588363
Energy: 2.2645158509622396
Energy: 2.250182615490278
Energy: 2.2558910779268193
Energy: 2.2676222577926293
Energy: 1.9663151951683808
Energy: 2.238658736327973
Energy: 1.826470603648221
Energy: 1.9705065138868263
Energy: 2.255486453186493
Energy: 2.239354956355298
Energy: 2.239343173561839
Energy: 2.263863861935819
Energy: 2.2707416526937165
Energy: 1.9707877612365572
Energy: 2.2386816780305945
Energy: 2.265638875664939
Energy: 2.250886392800112
Energy: 2.2493699932423246
Energy: 2.2728352640548444
Energy: 1.966181865238429
Energy: 2.2540566157245023
Energy: 2.292312352222284
Energy: 2.2817973715877944
Energy: 2.2379425375163495
Energy: 2.23538087908288
Energy: 2.2386919462331525
Energy: 2.2787921691871245
Energy: 2.6432122970739274
Energy: 2.2450486786081782
Energy: 2.277906640096152
Energy: 2.2786132196199973
Energy: 2.8552345466588585
Energy: 2.6468433901528567
Energy: 2.6525192333009597
Energy: 2.238996052783191
Energy: 2.2778986472405607
Energy: 2.2787346578081946
Energy: 2.2733809262898736
Energy: 2.643896268036331
Energy: 2.2808856525490544
Energy: 1.9666403677649824
Energy: 2.2405571263879356
Energy: 1.8263679600034923
Energy: 2.240105535718244
Energy: 2.2768406514663413
Energy: 2.251024287226443
Energy: 2.245366212527628
Energy: 2.2425886453032975
Energy: 2.251360074088535
Energy: 1.9719628552763675
Energy: 2.24460627316519
Energy: 2.239873568014282
Energy: 2.2381772954948382
Energy: 2.2770518780374305
Energy: 2.2797421826514377
Energy: 2.239019062644563
Energy: 2.237953208301822
Energy: 2.2759081312735225
Energy: 2.2714644394319747
Energy: 2.2406290755366394
Energy: 2.239477121058104
Energy: 1.9693196664271595
Energy: 2.272509707031804
Energy: 2.2780290461706865
Energy: 2.267345930218378
Energy: 2.241980285918763
Energy: 2.252969204034447
Energy: 2.2419547949806424
Energy: 2.2763845889429604
Energy: 2.647471932231619
Energy: 2.2383224881636146
Energy: 2.2754685445305243
Energy: 2.2768054045834614
Energy: 2.8257842983959884
Energy: 2.643362432350998

minimum gb energy = 1.8263679600034923 eV
minimum distance =  2.2842579101534 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 3.062205264904703
Energy: 2.551800975381859
Energy: 2.709856202341977
Energy: 2.6945351946189593
Energy: 2.6843182021129546
Energy: 3.0629364062558264
Energy: 2.174234063689196
Energy: 2.3438127885535853
Energy: 2.6940883607462274
Energy: 2.69271565899697
Energy: 2.6948177433514737
Energy: 2.3418159086604753
Energy: 2.196648025171654
Energy: 2.19695979603757
Energy: 2.498421613155022
Energy: 2.4909200374424394
Energy: 2.5093381456187283
Energy: 2.1970193061463426
Energy: 2.19539585361713
Energy: 2.1959234959437968
Energy: 2.4988587126087567
Energy: 2.498910040336951
Energy: 2.193264776300584
Energy: 2.19562724289698
Energy: 2.197151088823514
Energy: 2.197132614317638
Energy: 2.6953797613574215
Energy: 2.693396764878599
Energy: 2.1981207352124508
Energy: 2.1961492314119124
Energy: 2.196260268788759
Energy: 2.1968272630728056
Energy: 2.500651045797626
Energy: 2.499820306442051
Energy: 2.4989050375999664
Energy: 2.1950615456927927
Energy: 2.5385367272078634
Energy: 2.345132265019036
Energy: 2.4982706890724686
Energy: 2.6960858888206505
Energy: 2.498548110291863
Energy: 2.69373692948667
Energy: 2.5386093734084088
Energy: 2.3386171729445246
Energy: 2.3353075377823105
Energy: 2.3346675924013818
Energy: 2.498650349113022
Energy: 2.6910759267475965
Energy: 2.18880695689883
Energy: 2.3337233345795467
Energy: 2.694192067517658
Energy: 2.9050371679371314
Energy: 2.5004255931910766
Energy: 2.1895498758495986
Energy: 2.3350129590372286
Energy: 2.3355235422226372
Energy: 2.6935198236891975
Energy: 2.90488810396712
Energy: 2.333976774081785
Energy: 2.3350060128354366
Energy: 2.3376099952250393
Energy: 2.3379605339659912
Energy: 2.336404637855342
Energy: 2.3350135773788843
Energy: 2.335906101863276
Energy: 2.338023232494963
Energy: 2.344315100723024
Energy: 2.344755507196663
Energy: 2.33857910109444
Energy: 2.3379259393972514
Energy: 2.3379328614492283
Energy: 2.3451999459518
Energy: 2.3345825186100546
Energy: 2.3414860128538746
Energy: 2.3437049124947196
Energy: 2.347704498243794
Energy: 2.339258051216947
Energy: 2.333953883889351
Energy: 2.6904471779945927
Energy: 2.512543519369069
Energy: 2.3342225057507417
Energy: 2.333593277080755
Energy: 2.3342963842492908
Energy: 2.6948322939167655
Energy: 2.5430229130767743
Energy: 2.693598418685347
Energy: 2.339876389486776
Energy: 2.1963602523551113
Energy: 2.342667142427432
Energy: 2.694306669847769
Energy: 2.5457716878068375
Energy: 2.411049217963493
Energy: 2.4863022010887534
Energy: 2.4699288151231378
Energy: 2.667234947480465
Energy: 2.545232811189764
Energy: 2.6938906822514928
Energy: 2.693921677803938
Energy: 2.3439706811480923
Energy: 2.1741951289170816
Energy: 2.5191827246746357
Energy: 2.6928201885815812
Energy: 2.485335793286147
Energy: 2.499196938588284
Energy: 2.1974051063711855
Energy: 2.1983797966500833
Energy: 2.1968912801850196
Energy: 2.4855854405646394
Energy: 2.6942423252641015
Energy: 2.344630151209598
Energy: 2.1961694238577087
Energy: 2.1974555424459274
Energy: 2.1964339059996973
Energy: 2.498591883795079
Energy: 2.696325874316152
Energy: 2.344235469381263
Energy: 2.1966672433901384
Energy: 2.1983220360852
Energy: 2.196838554520036
Energy: 2.6935512240366637
Energy: 2.695164425213684
Energy: 2.4997228354839818
Energy: 2.197672983251256
Energy: 2.1957754079638976
Energy: 2.5041587359958357
Energy: 2.5001381255574615
Energy: 2.692684246421976
Energy: 2.694033882004337
Energy: 2.3449728342809038
Energy: 2.330602880985181
Energy: 2.344786540854144
Energy: 2.693988240012749
Energy: 2.4100670870889025
Energy: 2.33864162146752
Energy: 2.6913029247392
Energy: 2.5385131172130495
Energy: 2.336556928826742
Energy: 2.3363550054143682
Energy: 2.9043899774583997
Energy: 2.694064242502291
Energy: 2.3280723619233483
Energy: 2.191311175364543
Energy: 2.336283391663686
Energy: 2.470653483581819
Energy: 2.9049402642895874
Energy: 2.6955058201205606
Energy: 2.3341436051559734
Energy: 2.3338673383714146
Energy: 2.3348923542213083
Energy: 2.4706824937798877
Energy: 2.3335414337634868
Energy: 2.344632438275822
Energy: 2.3377464748987657
Energy: 2.340794893265002
Energy: 2.338632676115063
Energy: 2.334939308990601
Energy: 2.3456362369842063
Energy: 2.3383676457202944
Energy: 2.3395458880638187
Energy: 2.343248689142541
Energy: 2.3381717515145857
Energy: 2.338131265346622
Energy: 2.3458647887165687
Energy: 2.337417465515468
Energy: 2.3349448043042154
Energy: 2.334329968980565
Energy: 2.338950750624137
Energy: 2.3388485765318565
Energy: 2.33491445012676
Energy: 2.334655179882319
Energy: 2.694767433340279
Energy: 2.692427553628696
Energy: 2.33420743282511
Energy: 2.334042330833993
Energy: 2.1961455193410093
Energy: 2.3380709388160983
Energy: 2.6941491501391073
Energy: 2.6947115602871667
Energy: 2.520946126065201
Energy: 2.3535940726937787
Energy: 2.46994576214565
Energy: 2.3351337352788577
Energy: 2.412069337010503
Energy: 2.342480860549063
Energy: 2.351347436667794
Energy: 2.4880312113387424

minimum gb energy = 2.1741951289170816 eV
minimum distance =  2.24084186898254 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 3.2146053619738484
Energy: 3.205890140269094
Energy: 2.492677901706671
Energy: 2.503543406568605
Energy: 2.4925865199701556
Energy: 3.1977117435868325
Energy: 2.307562186448674
Energy: 2.4753738963575915
Energy: 2.284167158035857
Energy: 2.3166580180194356
Energy: 2.47574809794217
Energy: 2.2832619434932813
Energy: 2.2825756834303466
Energy: 2.2852654777724712
Energy: 2.4306154780822746
Energy: 2.257347240939822
Energy: 2.4280533576916628
Energy: 2.2836834536851436
Energy: 2.28197858720477
Energy: 2.2813211150248307
Energy: 2.2865903639606744
Energy: 2.316711208637809
Energy: 2.285351007076313
Energy: 2.2806890304084915
Energy: 2.2846980514505817
Energy: 2.2817977444364317
Energy: 2.3163953241125235
Energy: 2.3161281075280784
Energy: 2.4758433477351818
Energy: 2.2815783770514257
Energy: 2.282942073017572
Energy: 2.281405140188435
Energy: 2.2824406815912397
Energy: 2.2850722465965654
Energy: 2.316521270744577
Energy: 2.283722205298927
Energy: 2.270547755614699
Energy: 2.473840471961763
Energy: 2.315484313601764
Energy: 2.31698915467285
Energy: 2.314208915046154
Energy: 2.3169409907093956
Energy: 2.2723502366075157
Energy: 2.4276152432908136
Energy: 2.283544546352529
Energy: 2.2844534699488137
Energy: 2.2831593522090294
Energy: 2.2818619676990215
Energy: 2.488272318352894
Energy: 2.3132494322625843
Energy: 2.3016527347663325
Energy: 2.302635609715833
Energy: 2.2831963615255595
Energy: 2.5005086902548337
Energy: 2.316559057312112
Energy: 2.315077099472021
Energy: 2.3019216491884813
Energy: 2.302684052567839
Energy: 2.470367029422782
Energy: 2.52384838614331
Energy: 2.2527590725365028
Energy: 2.432396072147865
Energy: 2.2811884353074308
Energy: 2.283336423149923
Energy: 2.456360322143139
Energy: 2.28188188131168
Energy: 2.310729895599436
Energy: 2.47159977937485
Energy: 2.281451931839261
Energy: 2.288510300862457
Energy: 2.2822661425654087
Energy: 2.290346556447733
Energy: 2.316291497787528
Energy: 2.4682652589499985
Energy: 2.28453947902882
Energy: 2.288218127617727
Energy: 2.2867858831721333
Energy: 2.3152794948824673
Energy: 2.3171464820041217
Energy: 2.2860010735795333
Energy: 2.2844773753727967
Energy: 2.2830171604839626
Energy: 2.2830097524474136
Energy: 2.2834018469208845
Energy: 2.3157034177480096
Energy: 2.3156544104238588
Energy: 2.286592883219408
Energy: 2.2862127551175515
Energy: 2.4762311007389126
Energy: 2.3158209895892172
Energy: 2.489343291338371
Energy: 2.2813311344482354
Energy: 2.429484232415826
Energy: 2.2789398845584503
Energy: 2.2818902558183134
Energy: 2.2811565619512817
Energy: 2.3081763136227997
Energy: 2.286367923274111
Energy: 2.2841811344085716
Energy: 2.2866085617684786
Energy: 2.476028371958369
Energy: 2.316153738907172

minimum gb energy = 2.2527590725365028 eV
minimum distance =  2.36333504072233 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 3.6012651524039754
Energy: 2.521149573075553
Energy: 2.602831969959033
Energy: 2.602004293026451
Energy: 2.600700974645912
Energy: 2.270065749896953
Energy: 2.2657623798419197
Energy: 2.3904981326900216
Energy: 2.393413413657843
Energy: 2.397580768214769
Energy: 2.3913862692366106
Energy: 2.408224907699387
Energy: 2.3896512734643367
Energy: 2.388674650312286
Energy: 2.513894205590289
Energy: 2.5147656831668703
Energy: 2.7141218470722914
Energy: 2.388608256947618
Energy: 2.409142253889148
Energy: 2.3874613178941213
Energy: 2.3929703356097067
Energy: 2.39327709964034
Energy: 2.389088619313507
Energy: 2.3880365184717416
Energy: 2.4114920607179164
Energy: 2.410672605392057
Energy: 2.408467339448832
Energy: 2.4271462983655843
Energy: 2.43375341575168
Energy: 2.406935967314154
Energy: 2.3893369824778716
Energy: 2.3881820024821145
Energy: 2.4062833723808614
Energy: 2.40792596329712
Energy: 2.408048295295753
Energy: 2.3880602758274163
Energy: 2.394734865663562
Energy: 2.4068452461956196
Energy: 2.387079059290305
Energy: 2.3887713450187604
Energy: 2.390719602359378
Energy: 2.3939847712505133
Energy: 2.3951272817191787
Energy: 2.3935177119075615
Energy: 2.459102056791189
Energy: 2.4000225109141358
Energy: 2.3883161862924234
Energy: 2.3941671621187806
Energy: 2.407415532928908
Energy: 2.3894036468364974
Energy: 2.7056472007376864
Energy: 2.3864310720423574
Energy: 2.3866259696478735
Energy: 2.3907497293574878
Energy: 2.4016430387933942
Energy: 2.3899690360971224
Energy: 2.3932901256402763
Energy: 2.3861411120346534
Energy: 2.7120950191166275
Energy: 2.400142633996086
Energy: 2.2564194201008205
Energy: 2.4208938473970782
Energy: 2.3994967274110968
Energy: 2.602685813652992
Energy: 2.3865654364891946
Energy: 2.2574982614655608
Energy: 2.2569670840104625
Energy: 2.7066101167468384
Energy: 2.3928235747328785
Energy: 2.6103566339401514
Energy: 2.394297069938937
Energy: 2.256844466522143
Energy: 2.4081333503925495
Energy: 2.3856247894742117
Energy: 2.708896777785842
Energy: 2.514799956916567
Energy: 2.7035820929897008
Energy: 2.3995146383506225
Energy: 2.4038735787610395
Energy: 2.3945289463462354
Energy: 2.393747080220551
Energy: 2.514970120342617
Energy: 2.387959946643605
Energy: 2.3943528183454696
Energy: 2.4078855626263707
Energy: 2.408854284687406
Energy: 2.388988635669192
Energy: 2.3905013467396596
Energy: 2.4206646905042843
Energy: 2.4063002941719853
Energy: 2.390567506353862
Energy: 2.4160105827191254
Energy: 2.4088367190173745
Energy: 2.437857989414166
Energy: 2.4074584649339763
Energy: 2.394079017949375
Energy: 2.395987613333174
Energy: 2.391660191481366
Energy: 2.390770309447239
Energy: 2.389727300508029
Energy: 2.4047939580920095
Energy: 2.3915458791726127
Energy: 2.38922771010957
Energy: 2.702996193521048
Energy: 2.4027927233069075
Energy: 2.4075172768872437
Energy: 2.4057481189146768
Energy: 2.39754685361006
Energy: 2.409863264314869
Energy: 2.3907113031416194
Energy: 2.3941094161669914
Energy: 2.4014819396631215
Energy: 2.7001753003925955
Energy: 2.4082816308930153
Energy: 2.6110533272702
Energy: 2.600813850515694
Energy: 2.433559828978355
Energy: 2.3842060858096734
Energy: 2.387536455952988
Energy: 2.6020777659912913
Energy: 2.256695852429685
Energy: 2.392125184990259
Energy: 2.39289016168543
Energy: 2.4010790743300388
Energy: 2.3939243886413863
Energy: 2.391897556615044

minimum gb energy = 2.2564194201008205 eV
minimum distance =  2.35457042012766 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.938251909800094
Energy: 2.3467152266822824
Energy: 2.435441568661531
Energy: 2.43383059913427
Energy: 2.449800957140779
Energy: 2.299080035244502
Energy: 2.3482191978459888
Energy: 2.335707619987804
Energy: 2.336522905287786
Energy: 2.337079690300432
Energy: 2.3333466734071378
Energy: 2.338743816268941
Energy: 2.2999311040287336
Energy: 2.300782267384279
Energy: 2.2996073147676643
Energy: 2.297853998037497
Energy: 2.3007667562602694
Energy: 2.300500731819319
Energy: 2.300829410516635
Energy: 2.3013821930896903
Energy: 2.3325300934662674
Energy: 2.3355643456330446
Energy: 2.3348859198904455
Energy: 2.301026440170321
Energy: 2.3471120053289947
Energy: 2.5139828482353734
Energy: 2.3326782948275637
Energy: 2.3374047177581376
Energy: 2.3337517526855875
Energy: 2.2994344802288778
Energy: 2.2990786650936594
Energy: 2.3024141506563494
Energy: 2.3329047498653224
Energy: 2.335444857564375
Energy: 2.3334201077069077
Energy: 2.2994503362459877
Energy: 2.299366435941655
Energy: 2.5127843193262036
Energy: 2.3334934046166835
Energy: 2.335782493203908
Energy: 2.335720124274583
Energy: 2.2994840689872857
Energy: 2.2992451288904534
Energy: 2.301748878362279
Energy: 2.335105753972266
Energy: 2.3364764918339027
Energy: 2.3348058526672415
Energy: 2.300074586341805
Energy: 2.3002873087681333
Energy: 2.3017108615900197
Energy: 2.493140441596837
Energy: 2.449717851045121
Energy: 2.301234266432524
Energy: 2.3011098174172435
Energy: 2.3008033648297332
Energy: 2.33457581243641
Energy: 2.3731674053657628
Energy: 2.3371275864247436
Energy: 2.49229420617466
Energy: 2.300025632573902
Energy: 2.332702625465182
Energy: 2.3408326092884284
Energy: 2.3347425326117497
Energy: 2.433950827003479
Energy: 2.33571145261647
Energy: 2.3329089067917703
Energy: 2.331649474668288
Energy: 2.492369926591685
Energy: 2.335537682772958
Energy: 2.3007784433731686
Energy: 2.3496261185771794
Energy: 2.3327839599101865
Energy: 2.4335212989980075
Energy: 2.3342964641912465
Energy: 2.513076985768334
Energy: 2.299456131593462
Energy: 2.3338400743194723
Energy: 2.435364802477923
Energy: 2.334011517630623
Energy: 2.3358134006670133
Energy: 2.3773037609337697
Energy: 2.3482514139923527
Energy: 2.4921521498954626
Energy: 2.334555887154377
Energy: 2.297899743753612
Energy: 2.4962480989348266
Energy: 2.3001841240331107
Energy: 2.301842222294826
Energy: 2.340474990504619
Energy: 2.2987787167214884
Energy: 2.344770088293074
Energy: 2.3024547985623722
Energy: 2.3012884582431457
Energy: 2.3012186771664576
Energy: 2.3011602412080023
Energy: 2.3328523776359016
Energy: 2.3504988499615633
Energy: 2.3321029027221427
Energy: 2.2991636911913638
Energy: 2.347716999305562
Energy: 2.5372380944702764
Energy: 2.3369611645237898
Energy: 2.335166983766937
Energy: 2.3358665653674993
Energy: 2.3007447840144946
Energy: 2.301468748892382
Energy: 2.345098651092744
Energy: 2.3336297073996044
Energy: 2.3333945789259083
Energy: 2.334710313084354
Energy: 2.299742096160265
Energy: 2.3026653522540457
Energy: 2.334497770532512
Energy: 2.3324628372618172
Energy: 2.3511149026050147
Energy: 2.3333529955045895
Energy: 2.300148017989936
Energy: 2.2993339965753004
Energy: 2.5360532251399777
Energy: 2.3346775622220197
Energy: 2.339198420262828
Energy: 2.3338617749359556
Energy: 2.3020751240792663
Energy: 2.3023616982932125
Energy: 2.301308732311152
Energy: 2.33449052717784
Energy: 2.2992202851854153
Energy: 2.4919591501381553
Energy: 2.30070572187965
Energy: 2.30042459950014
Energy: 2.337206285437057
Energy: 2.3723929279631992
Energy: 2.3355865915637812
Energy: 2.3355299441503554
Energy: 2.333402575116229
Energy: 2.3329150531772846
Energy: 2.4914048906385036
Energy: 2.3365452513888734
Energy: 2.433364400481526
Energy: 2.4339269742339145
Energy: 2.3325959390802042
Energy: 2.332523910088495
Energy: 2.334007402016662
Energy: 2.450867656832953
Energy: 2.347932053896541
Energy: 2.3771423625416825
Energy: 2.335415426195161
Energy: 2.3001703334561268
Energy: 2.334441019233182
Energy: 2.34786296529242

minimum gb energy = 2.297853998037497 eV
minimum distance =  2.36931764891207 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.709114625396563
Energy: 2.3545423618412817
Energy: 2.4156351743919635
Energy: 2.41551262071389
Energy: 2.415122121262884
Energy: 2.526360244631975
Energy: 2.2763326066441563
Energy: 2.2771643248020914
Energy: 2.2835944020019894
Energy: 2.2826372930468364
Energy: 2.290109760507904
Energy: 2.277889490214007
Energy: 2.3149003125855008
Energy: 2.3037928802639662
Energy: 2.272042385624718
Energy: 2.266143043820875
Energy: 2.332720369212823
Energy: 2.2842304381162557
Energy: 2.2815573784562497
Energy: 2.287643432421219
Energy: 2.283746659858307
Energy: 2.2897963305063085
Energy: 2.2897635956518902
Energy: 2.2820957121152383
Energy: 2.2673233116209754
Energy: 2.543385921274006
Energy: 2.298450862338354
Energy: 2.298701875705122
Energy: 2.3002283466974323
Energy: 2.317997027998141
Energy: 2.282061442684025
Energy: 2.283192490658504
Energy: 2.2854602746109007
Energy: 2.281746025435737
Energy: 2.296872748414021
Energy: 2.2831741246850905
Energy: 2.281226613854958
Energy: 2.281484979859705
Energy: 2.282040210716222
Energy: 2.2822050863844514
Energy: 2.283063489127573
Energy: 2.282361447429337
Energy: 2.2811478370330587
Energy: 2.282422230043999
Energy: 2.2915638108056777
Energy: 2.2913691096994393
Energy: 2.291782243651392
Energy: 2.2818382866218405
Energy: 2.2972139210966454
Energy: 2.3138301740170157
Energy: 2.2939139574535985
Energy: 2.292416479899951
Energy: 2.3144819316174394
Energy: 2.296886105792015
Energy: 2.2817106231478705
Energy: 2.2815181913038085
Energy: 2.2915680704752415
Energy: 2.290498285590885
Energy: 2.2938795214210157
Energy: 2.28227592070824
Energy: 2.276257354882467
Energy: 2.2664613395113116
Energy: 2.2683291562210397
Energy: 2.2661358962528384
Energy: 2.2688246604838316
Energy: 2.282795439080261
Energy: 2.310861874587803
Energy: 2.282412809230312
Energy: 2.246946220734667
Energy: 2.2653241427163824
Energy: 2.246905317269676
Energy: 2.281904719127826
Energy: 2.319442375596483
Energy: 2.3187666674769956
Energy: 2.2576070091733693
Energy: 2.264748919429971
Energy: 2.321004666962808
Energy: 2.4225875195705426
Energy: 2.232207466510467
Energy: 2.231817278741753
Energy: 2.2471245007636207
Energy: 2.2577478460938147
Energy: 2.3073448854497234
Energy: 2.2319940314312947
Energy: 2.2470645010563866
Energy: 2.247146428342126
Energy: 2.2647834188700062
Energy: 2.2652074411207286
Energy: 2.2487399324221196
Energy: 2.2320885831957082
Energy: 2.231804891695748
Energy: 2.2503002359239686
Energy: 2.2475690420215795
Energy: 2.277670716132839
Energy: 2.2480057176589416
Energy: 2.2319948352889436
Energy: 2.231356115352333
Energy: 2.3337876440552305
Energy: 2.2714242764500625
Energy: 2.265875665475528
Energy: 2.2472400666701304
Energy: 2.236140550947381
Energy: 2.303332470029396
Energy: 2.303285137480805
Energy: 2.246235069324333
Energy: 2.2652154524393673
Energy: 2.240802642908249
Energy: 2.30331403134749
Energy: 2.266941974715149
Energy: 2.231930953582511
Energy: 2.2658201888206397
Energy: 2.266158315149891
Energy: 2.2685304657867578
Energy: 2.2787595824909483
Energy: 2.2786751860023267
Energy: 2.276540728123483
Energy: 2.3076971891257747
Energy: 2.2932175614768746
Energy: 2.2987487492679515
Energy: 2.276260289184726
Energy: 2.278766565544342
Energy: 2.28990549895271
Energy: 2.2894744102603193
Energy: 2.289128361489054
Energy: 2.3614024935485105
Energy: 2.2778220395577673
Energy: 2.2786749618157813
Energy: 2.2771110855051875
Energy: 2.2895206660525425
Energy: 2.290183094177319
Energy: 2.28940347618069
Energy: 2.2767517758950664
Energy: 2.2852773520569722
Energy: 2.2857263152914085
Energy: 2.2827604481121635
Energy: 2.2811726396059666
Energy: 2.3243019826273135
Energy: 2.2852652698164246
Energy: 2.276319280344292
Energy: 2.3039583693767898
Energy: 2.2829596803641508
Energy: 2.28138910534237
Energy: 2.2888265473257348
Energy: 2.276384567297995
Energy: 2.2776462811696954
Energy: 2.5459410440259456
Energy: 2.288812462751453
Energy: 2.288560919147695
Energy: 2.2888936173310093
Energy: 2.2761849903271973
Energy: 2.276130987539346
Energy: 2.288131781941846
Energy: 2.2833918363852708
Energy: 2.2832634260446882
Energy: 2.298419942373592
Energy: 2.277757894521475
Energy: 2.276268693640732
Energy: 2.2781665800090094
Energy: 2.282860938522156
Energy: 2.264981717638602
Energy: 2.2852250714481506
Energy: 2.2770686805409817
Energy: 2.3053762625047542
Energy: 2.305352884768139
Energy: 2.26092841260004
Energy: 2.2579992433116924
Energy: 2.2883976592022015
Energy: 2.3050632704662952
Energy: 2.353947947871769
Energy: 2.2871300083449566
Energy: 2.383796875169283
Energy: 2.3810979415190756
Energy: 2.290593402252584
Energy: 2.2494703881705354

minimum gb energy = 2.231356115352333 eV
minimum distance =  2.33283350717946 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.477040642732433
Energy: 2.1372053219268214
Energy: 2.2508262075725076
Energy: 2.2509499129385757
Energy: 2.2495994474879364
Energy: 2.4780180733180477
Energy: 2.1357568612812385
Energy: 2.1398864860707403
Energy: 2.1399737416708016
Energy: 2.140020635861498
Energy: 2.140323471718784
Energy: 2.140429261821327
Energy: 2.1657249540388523
Energy: 2.166108065042576
Energy: 2.179883466533313
Energy: 2.14028010609969
Energy: 2.16600536122179
Energy: 2.1662747126663815
Energy: 2.14298638819201
Energy: 2.14350341232986
Energy: 2.1408210976456394
Energy: 2.1398457346294912
Energy: 2.144482574446729
Energy: 2.143862731233645
Energy: 2.135520562099624
Energy: 2.168448723103517
Energy: 2.1639274653530274
Energy: 2.1396134781664773
Energy: 2.1436255191742637
Energy: 2.1364934915115854
Energy: 2.1429338312967547
Energy: 2.143957037154516
Energy: 2.1398855410242485
Energy: 2.1408656580111907
Energy: 2.14003765841389
Energy: 2.1431645757777606
Energy: 2.14296603716178
Energy: 2.143108798962798
Energy: 2.1401805995418273
Energy: 2.140007330279813
Energy: 2.3825424639383765
Energy: 2.1433879861435616
Energy: 2.143350109203387
Energy: 2.1427906171675732
Energy: 2.1386767536563283
Energy: 2.14134653103214
Energy: 2.1392040210760377
Energy: 2.1420891728590257
Energy: 2.1440803349180313
Energy: 2.383547488729841
Energy: 2.1407795865708144
Energy: 2.139128591481571
Energy: 2.1422879330924696
Energy: 2.14290518738896
Energy: 2.144187395135947
Energy: 2.1430569403203505
Energy: 2.140967465783432
Energy: 2.139133272447523
Energy: 2.1404513705695565
Energy: 2.143011387274599
Energy: 2.144580067277314
Energy: 2.1437003402813404
Energy: 2.1436812625249546
Energy: 2.1674568285464684
Energy: 2.1692884518091167
Energy: 2.1435660429689434
Energy: 2.141844702595958
Energy: 2.142237424120211
Energy: 2.1397410294229147
Energy: 2.1400311216757752
Energy: 2.1643485806262253
Energy: 2.1439177218246455
Energy: 2.1661525800416506
Energy: 2.166580170352465
Energy: 2.167096340489555
Energy: 2.143775615820673
Energy: 2.1667986019659855
Energy: 2.1662169315776216
Energy: 2.1443241330290435
Energy: 2.1393958833707636
Energy: 2.1403849196269205
Energy: 2.144491680791163
Energy: 2.1690881707057175
Energy: 2.140204222929075
Energy: 2.1396496424352085
Energy: 2.1651664166657394
Energy: 2.249372316063583
Energy: 2.355404309306901
Energy: 2.140820212940973
Energy: 2.1408819513889306
Energy: 2.164200657828734
Energy: 2.1396246146858626
Energy: 2.140305569377672
Energy: 2.142042003002426
Energy: 2.1399723365005365
Energy: 2.1399429286708878
Energy: 2.249542435567133
Energy: 2.1410184161533317
Energy: 2.135771415059014
Energy: 2.136734857268747
Energy: 2.1646218587533115
Energy: 2.2507493253141666
Energy: 2.1413686081241927
Energy: 2.1397381870100918
Energy: 2.1403140072550895
Energy: 2.1359023631887175
Energy: 2.4640911847758526
Energy: 2.139961736577562
Energy: 2.1350200801731063
Energy: 2.165186830040788
Energy: 2.1658815234079287
Energy: 2.142265271834781
Energy: 2.164559752864636
Energy: 2.135828377857021
Energy: 2.1344750259157363
Energy: 2.1429133852272813
Energy: 2.14340114137734
Energy: 2.1439613201792262
Energy: 2.144130464643262
Energy: 2.1400498600481943
Energy: 2.1391114074135738
Energy: 2.1639028075519753
Energy: 2.41325499945827
Energy: 2.1353858594054786
Energy: 2.1682534395090287
Energy: 2.1409494669889106
Energy: 2.1419957674407506
Energy: 2.139702994548694
Energy: 2.1431581317062376
Energy: 2.1423790526522066
Energy: 2.393463194613545
Energy: 2.1404571010099747
Energy: 2.1389727575408233
Energy: 2.397345694739098
Energy: 2.1425489005069562
Energy: 2.1420022489041863
Energy: 2.3834531209177534
Energy: 2.1395406869817366
Energy: 2.1385951181783214
Energy: 2.1394214055551783
Energy: 2.1437868554774693
Energy: 2.142174532590833
Energy: 2.1439088601514307
Energy: 2.1393028918893164
Energy: 2.13881736546518
Energy: 2.140645457252576
Energy: 2.1432223282349776
Energy: 2.1430151688879007
Energy: 2.1426716646133657
Energy: 2.1403202502663055
Energy: 2.138744232544622
Energy: 2.140812223505
Energy: 2.142556085699556
Energy: 2.142528577959166
Energy: 2.1431507105290817
Energy: 2.1400684720442467
Energy: 2.139115704394798
Energy: 2.1429106837535112
Energy: 2.1432951453768876
Energy: 2.1423564245571147
Energy: 2.142834186300382
Energy: 2.1416950436885176
Energy: 2.138945770021886
Energy: 2.1644728225172676
Energy: 2.1447921717722696
Energy: 2.1428586820282107
Energy: 2.166947548535108
Energy: 2.1390683130594614
Energy: 2.1433239420064694
Energy: 2.1426553596259645
Energy: 2.167407332182479
Energy: 2.1433287819123086
Energy: 2.1439597674304562
Energy: 2.1403281485816406
Energy: 2.143558875114487
Energy: 2.1656704481521127
Energy: 2.141424893076719
Energy: 2.1433438580941773
Energy: 2.164753081792239
Energy: 2.140357379530556
Energy: 2.1396471935111374
Energy: 2.1405372287269953
Energy: 2.142355859609342
Energy: 2.1614930232653626
Energy: 2.1660887540335665
Energy: 2.1395758912690304
Energy: 2.1425004265734295
Energy: 2.140920218067767
Energy: 2.378060002195842
Energy: 2.1644692539800525
Energy: 2.1654697807759073
Energy: 2.1428609208987326
Energy: 2.13727121016034
Energy: 2.1653009104387597
Energy: 2.140067723605415
Energy: 2.1414329507479155
Energy: 2.1409413851610064
Energy: 2.1345308554974554

minimum gb energy = 2.1344750259157363 eV
minimum distance =  2.35378654299467 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.008870215731211698
Energy: 0.009948961510892647
Energy: 0.27351929999059643
Energy: 0.27469446586502433
Energy: 0.2754544394893402
Energy: 0.009849734460143873
Energy: 0.010345548110169567
Energy: 0.10405765689750168
Energy: 0.10419424817216541
Energy: 0.10466937817553473
Energy: 0.1040106771864099
Energy: 0.10463355185943875
Energy: 1.4497378089042472
Energy: 0.2735917471117307
Energy: 0.009235025197192753
Energy: 0.009183565054282104
Energy: 0.2741458776052485
Energy: 0.27333530858591587
Energy: 0.010345548110169567
Energy: 0.10405765689750168
Energy: 0.10419424817216541
Energy: 0.10466937817553473
Energy: 0.1040106771864099
Energy: 0.10463355185943875

minimum gb energy = 0.008870215731211698 eV
minimum distance =  2.71474420369298 Angstroms
sigma value = 1