Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Pt__MO_534993486058_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453839794827
mass=195.084
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=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018953245838623806
Energy: 0.6648517476183292
Energy: 0.02071489855539318
Energy: 0.022319313121002923
Energy: 0.6648607812861976
Energy: 0.019905440044699466
Energy: 0.6648517476193678
Energy: 0.11263185407821455
Energy: 0.11185605613123348
Energy: 0.1119058961774311
Energy: 0.1118705942802507
Energy: 0.11191207058834506
Energy: 0.02071489855488872
Energy: 0.11185605613280618
Energy: 0.11252311612725338
Energy: 0.020988773112192015
Energy: 0.11196465583649629
Energy: 0.11331957214511827
Energy: 0.022319313121269987
Energy: 0.11190589617665957
Energy: 0.020988773111924954
Energy: 0.01941757036275684
Energy: 0.11193800589349535
Energy: 0.01994689728217769
Energy: 0.6648607812867319
Energy: 0.11187059428155634
Energy: 0.11196465583703041
Energy: 0.11193800589296124
Energy: 0.11194606251193964
Energy: 0.11187913590926732
Energy: 0.019905440044699466
Energy: 0.1119120705870394
Energy: 0.11331957214618651
Energy: 0.01994689728217769
Energy: 0.11187913590796167
Energy: 0.020149831328419975

minimum gb energy = 0.018953245838623806 eV
minimum distance =  2.76347135485144 Angstroms
sigma value = 1


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

Energy: 2.1160732935365707
Energy: 1.9736016103614415
Energy: 1.4438150951602884
Energy: 2.11300193978044
Energy: 1.9751164247092554
Energy: 2.0183772176533927
Energy: 1.955015809627395
Energy: 1.2798338685269868
Energy: 1.2758713305338811
Energy: 1.4839736649439161
Energy: 1.2774364890486027
Energy: 1.3585283331936624
Energy: 1.9632757298611618
Energy: 1.3239789949574083
Energy: 1.325312964690415
Energy: 1.9647816588913345
Energy: 1.358737759011583
Energy: 1.2956462463814409
Energy: 2.037953464093764
Energy: 1.5976625803302995
Energy: 1.6130512616123953
Energy: 1.795196945461153
Energy: 1.5684672269456668
Energy: 1.6109469749886927
Energy: 1.9056183049610684
Energy: 1.3387553661404292
Energy: 1.34038877282463
Energy: 1.458053866781481
Energy: 1.3999160981179892
Energy: 1.3317162526771464
Energy: 1.7122408945742809
Energy: 1.309262318474423
Energy: 1.3095580499380086
Energy: 1.7157673157834261
Energy: 1.400732253474256
Energy: 1.313108679624137
Energy: 1.7864788849744293
Energy: 1.591436389942894
Energy: 1.4034299603496099
Energy: 1.7569492179783384
Energy: 1.79095399174649
Energy: 1.3862348747364481
Energy: 1.9086369299804076
Energy: 1.4238757603276633
Energy: 1.5008829421075753
Energy: 1.790953600732948
Energy: 1.6114531588995507
Energy: 1.493297945587235
Energy: 1.4889519141097691
Energy: 1.3245551325335134
Energy: 1.3105314670625097
Energy: 1.4220431167905638
Energy: 1.6098796463990879
Energy: 1.2806126886862705
Energy: 1.5214363495271304
Energy: 1.5218374310139802
Energy: 1.4484233126236667
Energy: 1.5242949418097451
Energy: 1.4956484809607713
Energy: 1.434643883662817
Energy: 1.7533529886175034
Energy: 1.6315808394206495
Energy: 1.6206151628727155
Energy: 1.7868540021701476
Energy: 1.6383678965293862
Energy: 1.8769414562072906
Energy: 1.315094998086381
Energy: 1.4967806920497355
Energy: 1.293140771299262
Energy: 1.3169753486162767
Energy: 1.5498952558181178
Energy: 1.294137959048944
Energy: 1.275855914214349
Energy: 1.4289283247864206
Energy: 1.2077199532860114
Energy: 1.2758437854760016
Energy: 1.4242858823324758
Energy: 1.246065196092792
Energy: 1.3440049727780805
Energy: 1.744665146965502
Energy: 1.82269248451887
Energy: 1.3436435998896696
Energy: 1.7494320300633448
Energy: 1.6270795895374932
Energy: 1.3262214202448661
Energy: 1.4050615619455094
Energy: 1.2913207238654092
Energy: 1.3279062911535287
Energy: 1.6546343201739626
Energy: 1.2916569206514155
Energy: 1.4055558949873646
Energy: 1.4353905827517286
Energy: 1.2941780988793032
Energy: 1.4072236936381446
Energy: 1.576003595015084
Energy: 1.2997618652337868
Energy: 1.8205260994527566
Energy: 1.4998946991607283
Energy: 1.5339837982185185
Energy: 1.7318329839512274
Energy: 1.7016306594228132
Energy: 1.5254946177770772
Energy: 1.588114826402222
Energy: 1.4476416563053067
Energy: 1.4427604956259357
Energy: 1.5581272516282265
Energy: 1.7035710790436478
Energy: 1.330633989604849
Energy: 1.5924906957666247
Energy: 1.278989871876268
Energy: 1.2729870537431391
Energy: 1.6125528974829295
Energy: 1.555712858622151
Energy: 1.2816673347554557
Energy: 1.8592101520770217
Energy: 1.5200832870652192
Energy: 1.4453521496090604
Energy: 1.70502438556908
Energy: 1.6133362726446445
Energy: 1.4420990330178196
Energy: 2.074845634679553
Energy: 1.7447406786062671
Energy: 1.7220062943290129
Energy: 2.0691707593619872
Energy: 1.8526254849838955
Energy: 1.6187594801024432
Energy: 1.8207090626884954
Energy: 1.3436156766991818
Energy: 1.336201309939533
Energy: 1.8235283010418515
Energy: 1.3701648024581852
Energy: 1.305757825446469
Energy: 1.9095989001959515
Energy: 1.3150301937921964
Energy: 1.316724480146392
Energy: 1.68765418474252
Energy: 1.3483107137658723
Energy: 1.3946473809111117

minimum gb energy = 1.2077199532860114 eV
minimum distance =  2.48432366151264 Angstroms
sigma value = 33


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

Energy: 2.388876993860662
Energy: 1.9394643927685982
Energy: 1.772685165167028
Energy: 2.296437144647808
Energy: 1.9413920815077446
Energy: 1.8205699083846723
Energy: 1.9879586410231358
Energy: 1.3010780325923135
Energy: 1.275615116381861
Energy: 1.8152562522222218
Energy: 1.2344642132713644
Energy: 1.4223581496855096
Energy: 1.8311667573643795
Energy: 1.284571442119329
Energy: 1.2743747802155514
Energy: 1.8297180290883956
Energy: 1.2753015852903486
Energy: 1.2634454793910472
Energy: 1.9439009572778236
Energy: 1.371637524318572
Energy: 1.4342793684848456
Energy: 1.689976290899218
Energy: 1.4350418430326717
Energy: 1.4438639728740503
Energy: 1.9379637304872648
Energy: 1.3939721519342045
Energy: 1.4071578222115808
Energy: 1.9542192325931302
Energy: 1.392146156721227
Energy: 1.4108555357053607
Energy: 1.828015809789351
Energy: 1.4995022232671742
Energy: 1.3930103468387998
Energy: 1.828575890066847
Energy: 1.495174060723801
Energy: 1.3580401737990513
Energy: 1.7901544894904595
Energy: 1.7006801409958308
Energy: 1.5142790924947713
Energy: 1.7868589409625562
Energy: 1.739526478450472
Energy: 1.5369675014298187
Energy: 1.86291179588024
Energy: 1.3872986070710163
Energy: 1.3687494007501868
Energy: 1.5990889017021566
Energy: 1.5150172804049893
Energy: 1.361343212620515
Energy: 1.4115771966030088
Energy: 1.4105968819890133
Energy: 1.362009115462861
Energy: 1.4158371620736012
Energy: 1.4748372750001502
Energy: 1.349394962680776
Energy: 1.4840255600747756
Energy: 1.525696638155998
Energy: 1.5045536047156143
Energy: 1.4852505415108128
Energy: 1.5418195103434382
Energy: 1.4378208440975382
Energy: 1.680259865013904
Energy: 1.765120181203828
Energy: 1.7648479310545044
Energy: 1.6772244099542835
Energy: 1.76546603964429
Energy: 1.772268730590594
Energy: 1.3928084804737715
Energy: 1.5363784075743758
Energy: 1.395602358040008
Energy: 1.2829229094188046
Energy: 1.9682854359951103
Energy: 1.3614384290954953
Energy: 1.29315838049443
Energy: 1.3858948694980322
Energy: 1.3856019587156883
Energy: 1.2915934082193306
Energy: 1.5230933979844856
Energy: 1.311999602875314
Energy: 1.6386769499373486
Energy: 1.6097727784709788
Energy: 1.6019296798089306
Energy: 1.5532357293845447
Energy: 1.6883593100995475
Energy: 1.4398504263415928
Energy: 1.4644063607321967
Energy: 1.3940118219374622
Energy: 1.4043923412814001
Energy: 1.4549954408810717
Energy: 1.7925676506822
Energy: 1.4070428368773074
Energy: 1.531027179047226
Energy: 1.575810073715533
Energy: 1.4284678868822436
Energy: 1.509395704921468
Energy: 1.7706058573640375
Energy: 1.3779811851891697
Energy: 1.8541807224646984
Energy: 1.5425309656869604
Energy: 1.5524616080356664
Energy: 1.8432892989605143
Energy: 1.559393620524774
Energy: 1.5014373253375637
Energy: 1.5145306587404967
Energy: 1.5881977856928897
Energy: 1.5858996286359217
Energy: 1.5149391648087112
Energy: 1.5835601650729423
Energy: 1.369804623791103
Energy: 1.6468831113156213
Energy: 1.3526519919363102
Energy: 1.3324859834828104
Energy: 1.6504501302901422
Energy: 1.4828233646081592
Energy: 1.351900896186975
Energy: 1.9940652696787213
Energy: 1.4169002568016695
Energy: 1.4448124424199023
Energy: 1.755190727007971
Energy: 1.4876331160191616
Energy: 1.452532603401253
Energy: 2.3134322255089605
Energy: 1.67837772163612
Energy: 1.6615161246520487
Energy: 2.3066510168753864
Energy: 1.6784756227308464
Energy: 1.7654545171317355
Energy: 1.9655715353253997
Energy: 1.28121755383955
Energy: 1.314301811704157
Energy: 1.9677296953856533
Energy: 1.388098742908241
Energy: 1.3958260237735876
Energy: 1.9981690799886531
Energy: 1.2904846827547638
Energy: 1.3081475538061913
Energy: 1.7864714209638919
Energy: 1.2936372320263363
Energy: 1.278658190004241
Energy: 1.939973678520546
Energy: 1.6017734067981306
Energy: 1.6016663394068218
Energy: 1.9359922126109144
Energy: 1.5786178147565688
Energy: 1.6538331843512062
Energy: 1.9898098352246243
Energy: 1.3959730155326433
Energy: 1.39333817703633
Energy: 1.924018490285919
Energy: 1.404922711836415
Energy: 1.3953347160524567
Energy: 1.8308252528802924
Energy: 1.3566337940052227
Energy: 1.3710365095460577
Energy: 1.8261872398560668
Energy: 1.4538224054132323
Energy: 1.370324531262407
Energy: 1.7507238366661348
Energy: 1.725020104204363
Energy: 1.5031123126852388
Energy: 1.746562753534982
Energy: 1.7957451284734238
Energy: 1.6313290195803387
Energy: 1.852381311050957
Energy: 1.3737321613181284
Energy: 1.462649558601662
Energy: 1.6344611557622168
Energy: 1.5167296573025908
Energy: 1.4735481867633793
Energy: 1.4817553681826499
Energy: 1.359060137671527
Energy: 1.4172044888062634
Energy: 1.477690365813112
Energy: 1.5845332279529327
Energy: 1.3844998471796532
Energy: 1.4092424490322417
Energy: 1.5455352222250198
Energy: 1.5591243054132893
Energy: 1.4095022194243865
Energy: 1.532627143748313
Energy: 1.3649487301954257
Energy: 1.6788100599984483
Energy: 1.6752524461888756
Energy: 1.6834670715714337
Energy: 1.6783456620626935
Energy: 1.507452830930115
Energy: 1.5487557884265302
Energy: 1.3972263851746982
Energy: 1.533825148248732
Energy: 1.3678794949009423
Energy: 1.3880305192846392
Energy: 1.9707088901467529
Energy: 1.3959074073729698
Energy: 1.29026362992155
Energy: 1.4038749657090055
Energy: 1.3816592162310648
Energy: 1.2906714572075153
Energy: 1.5470406056449706
Energy: 1.3135175492923636
Energy: 1.287330756529159
Energy: 1.608334659530803
Energy: 1.60045049270889
Energy: 1.2865326105238535
Energy: 1.6877262027845725
Energy: 1.4270379256554322
Energy: 1.4633416443508225
Energy: 1.4028833221853307
Energy: 1.4070035883363334
Energy: 1.4482182894257236
Energy: 1.548221853518475
Energy: 1.396018444392728
Energy: 1.5099232512843284
Energy: 1.584297624756002
Energy: 1.3653712114791108
Energy: 1.5018780846494935
Energy: 1.7794294966712894
Energy: 1.3647259988487475
Energy: 1.8493039419998272
Energy: 1.638619405409033
Energy: 1.6291799815278034
Energy: 1.8317247173863276
Energy: 1.627883712994987
Energy: 1.633443900585101
Energy: 1.6342897987838567
Energy: 1.5952513180444423
Energy: 1.5401288441608703
Energy: 1.6309206101565636
Energy: 1.5621113093530348
Energy: 1.5643074479487147
Energy: 1.5866491473586124
Energy: 1.3353160494120448
Energy: 1.3148995952342935
Energy: 1.5870532073065955
Energy: 1.3314462737112789
Energy: 1.4345705953746983
Energy: 2.0072483109910513
Energy: 1.3422858183627373
Energy: 1.3316424110980125
Energy: 1.5212406600919042
Energy: 1.3936948318694165
Energy: 1.4862999028021786
Energy: 1.9740521164587808
Energy: 1.5093427992269242
Energy: 1.4233299526563727
Energy: 1.8859468747516812
Energy: 1.4852612449188554
Energy: 1.3657215813912322

minimum gb energy = 1.2344642132713644 eV
minimum distance =  2.48243196482506 Angstroms
sigma value = 51


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

Energy: 2.1298116555409132
Energy: 1.3982108161586495
Energy: 2.073730935478616
Energy: 2.1240165324153018
Energy: 1.4518222497024666
Energy: 1.76193017407257
Energy: 1.945496500635385
Energy: 1.259445495755293
Energy: 1.2596856682356858
Energy: 1.8480440963762543
Energy: 1.2586980829232777
Energy: 1.3815389765772623
Energy: 1.8800361281392357
Energy: 1.2531806250052349
Energy: 1.2528135594720775
Energy: 1.8566142478296825
Energy: 1.2533686641373347
Energy: 1.1951038797337084
Energy: 1.8804883257525418
Energy: 1.7080735801748954
Energy: 1.5556529132043053
Energy: 1.7560612938969873
Energy: 1.6401001250996374
Energy: 1.5942148536423095
Energy: 1.8787857144677946
Energy: 1.4627947300994864
Energy: 1.4688852134909451
Energy: 1.8784700385912714
Energy: 1.5541035754209003
Energy: 1.470973369630723
Energy: 1.6113658481113513
Energy: 1.475239370233406
Energy: 1.416320887127773
Energy: 1.613816222685732
Energy: 1.562294476309364
Energy: 1.3310825288820558
Energy: 1.6194568827136582
Energy: 1.5956251432852866
Energy: 1.4383177454471276
Energy: 1.6219407367279528
Energy: 1.5889556502082687
Energy: 1.4967222198921104
Energy: 1.799623753105976
Energy: 1.7144584724807503
Energy: 1.6599408651809116
Energy: 1.799747559484221
Energy: 1.7953314452638147
Energy: 1.6469141919812291
Energy: 1.3111756199279225
Energy: 1.6903928983345375
Energy: 1.5405823541315153
Energy: 1.3120588041438461
Energy: 1.7784310786468756
Energy: 1.2534595951543674
Energy: 1.2594405908677326
Energy: 1.4664982945760618
Energy: 1.322883533880369
Energy: 1.2598557457319108
Energy: 1.6534909180530575
Energy: 1.261162292726603
Energy: 1.2607140130263532
Energy: 1.8993446048463234
Energy: 1.88912668566362
Energy: 1.2603122603930392
Energy: 1.8904365510266834
Energy: 1.9069534168505593
Energy: 1.3660672045749631
Energy: 1.4522434115392533
Energy: 1.3385823473200198
Energy: 1.3657764823870204
Energy: 1.6059180646254232
Energy: 1.3384223137257336
Energy: 1.3640271919315656
Energy: 1.47945031870464
Energy: 1.2208641093966635
Energy: 1.3662023354881936
Energy: 1.719939842698357
Energy: 1.2804280211851549
Energy: 1.8128355164530223
Energy: 1.5773733051683951
Energy: 1.578223419942412
Energy: 1.4546050484983841
Energy: 1.630362415806327
Energy: 1.571880334699971
Energy: 1.7807797744069376
Energy: 1.6779454111327698
Energy: 1.6135945713745883
Energy: 1.718899556345
Energy: 1.7242884932316214
Energy: 1.6156042438327367
Energy: 1.67251858101407
Energy: 1.405005423024873
Energy: 1.3189879635765887
Energy: 1.6716403905714512
Energy: 1.4930955587082575
Energy: 1.4223766968219536
Energy: 1.9092556338294593
Energy: 1.3131317212536855
Energy: 1.2862234608288985
Energy: 1.8097049067296453
Energy: 1.3455448735785243
Energy: 1.3761297157605994
Energy: 2.0110651786205884
Energy: 1.4699757724675002
Energy: 1.383320853595312
Energy: 2.0115121503205255
Energy: 1.4691235466771235
Energy: 1.2803455391747804

minimum gb energy = 1.1951038797337084 eV
minimum distance =  2.51089379446813 Angstroms
sigma value = 19


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

Energy: 1.838901384427011
Energy: 1.8839405282350439
Energy: 1.4539799440986159
Energy: 1.7393220328610617
Energy: 1.8833852287453827
Energy: 1.5335419903608751
Energy: 1.8725068310735782
Energy: 1.1943983390059578
Energy: 1.183317434232874
Energy: 1.721538597391914
Energy: 1.1995372709106122
Energy: 1.3922991272768357
Energy: 1.880700416760525
Energy: 1.2600965583208656
Energy: 1.2561800065767799
Energy: 1.7560445090335843
Energy: 1.2558720506649739
Energy: 1.4034377432484466
Energy: 1.4805549707217232
Energy: 1.5155836484631031
Energy: 1.5531918826933278
Energy: 1.4754034663522466
Energy: 1.5180030332623518
Energy: 1.4912856418288356
Energy: 1.9385916140681818
Energy: 1.4227359703386382
Energy: 1.4351822701309125
Energy: 1.7417895014164257
Energy: 1.4351771515581109
Energy: 1.4265675203150037
Energy: 1.5200149307214381
Energy: 1.233531091368802
Energy: 1.4427105487019198
Energy: 1.5302605078949434
Energy: 1.2342744440101425
Energy: 1.526076657715205
Energy: 1.5458383404245628
Energy: 1.7884302370674798
Energy: 1.5649537020937132
Energy: 1.5558498659303863
Energy: 1.805889933448784
Energy: 1.5577400339179044
Energy: 1.698204233327635
Energy: 1.454712042568989
Energy: 1.4544118379569804
Energy: 1.7016156859250595
Energy: 1.742204083070436
Energy: 1.4008170126851556
Energy: 1.3018169923916239
Energy: 1.4879742417995825
Energy: 1.4843063096892903
Energy: 1.3018325416646208
Energy: 1.752251950028627
Energy: 1.3260119274924467
Energy: 1.277331891656373
Energy: 1.4411250673364966
Energy: 1.4527023371335717
Energy: 1.2765232686709422
Energy: 1.7539779492338399
Energy: 1.379387596521102
Energy: 1.2590599029588638
Energy: 1.4813425602170844
Energy: 1.3651627647469948
Energy: 1.2587909168080678
Energy: 1.4769888105106506
Energy: 1.5346921217477856
Energy: 1.6744353172285147
Energy: 1.4317614804783814
Energy: 1.4303805946405612
Energy: 1.516780912234282
Energy: 1.7372256385179632
Energy: 1.427773183486887
Energy: 1.1579700954649392
Energy: 1.561109051778642
Energy: 1.4067600341858535
Energy: 1.160239902703284
Energy: 1.610656364069431
Energy: 1.404876568533729
Energy: 1.8980535736258135
Energy: 1.4161949951436725
Energy: 1.4457387340556522
Energy: 1.773817055232638
Energy: 1.5518072522476658
Energy: 1.5721321283454164
Energy: 1.7437278043620998
Energy: 1.6998555247632219
Energy: 1.540908624981576
Energy: 1.7478284056632154
Energy: 1.6994010857469823
Energy: 1.3726270618215202
Energy: 1.7410136138896584
Energy: 1.3931884036623858
Energy: 1.3661606831279818
Energy: 1.7413562572704344
Energy: 1.390314052595481
Energy: 1.4543132130085368
Energy: 1.8666393343709127
Energy: 1.2526914534994316
Energy: 1.2912764571060278
Energy: 1.726410185484896
Energy: 1.2765416526113613
Energy: 1.4151249147199971
Energy: 1.7037994831512444
Energy: 1.2815311543732912
Energy: 1.3706989622068295
Energy: 1.7053956783512463
Energy: 1.2586222278956378
Energy: 1.4238247875011962
Energy: 1.5571342861950301
Energy: 1.4325035986111614
Energy: 1.432727913979385
Energy: 1.5334919672095477
Energy: 1.4448570439343178
Energy: 1.4344762523854986
Energy: 1.6333835105105212
Energy: 1.1581708407434237
Energy: 1.396340757285194
Energy: 1.6358213938839608
Energy: 1.1579885742236526
Energy: 1.3941590016393306
Energy: 1.5488488179175146
Energy: 1.4467732087474239
Energy: 1.456796576571807
Energy: 1.550367170734029
Energy: 1.450391478910149
Energy: 1.4503556565063347
Energy: 1.5542790636159374
Energy: 1.5690787223821154
Energy: 1.5714981983864693
Energy: 1.555685996137085
Energy: 1.7337689475909601
Energy: 1.5697818086240138
Energy: 1.6232579147789357
Energy: 1.453858969665288
Energy: 1.4539608201207563
Energy: 1.4362454797764208
Energy: 1.7404817386251898
Energy: 1.4541956684327624
Energy: 1.2929955482514588
Energy: 1.5761710210408868
Energy: 1.3814544110284133
Energy: 1.2572975576773906
Energy: 1.7631744616188165
Energy: 1.3914495435570582
Energy: 1.2692159791260362
Energy: 1.4272603768105512
Energy: 1.411369686868624
Energy: 1.2762978330356725
Energy: 1.4405091324253534
Energy: 1.3099298007396492
Energy: 1.4735954519899441
Energy: 1.4765761171027152
Energy: 1.4515211421524952
Energy: 1.4795603416335557
Energy: 1.4779871367918704
Energy: 1.5385770118624529
Energy: 1.5687240682802097
Energy: 1.4243778636837834
Energy: 1.4355374141001933
Energy: 1.4379057897620116
Energy: 1.7446156100455064
Energy: 1.4340606318457103
Energy: 1.2339609490220398
Energy: 1.4469281538827838
Energy: 1.3941728039286063
Energy: 1.235505797868573
Energy: 1.3955067279354731
Energy: 1.4682813546556035
Energy: 1.8932289677363539
Energy: 1.4081471454847903
Energy: 1.362648352926012
Energy: 1.7452978171068791
Energy: 1.5306191185678706
Energy: 1.5660117395257693
Energy: 1.8396973845900788
Energy: 1.4305471400513947
Energy: 1.4009918918968118
Energy: 1.741521915095079
Energy: 1.6127284318886232
Energy: 1.5308813197263693

minimum gb energy = 1.1579700954649392 eV
minimum distance =  2.48409386256356 Angstroms
sigma value = 27


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

Energy: 1.4752729649338254
Energy: 1.9198580309309508
Energy: 1.7964609245391392
Energy: 1.4769820455399798
Energy: 1.918752817530868
Energy: 1.793910777940851
Energy: 1.9813167914156333
Energy: 1.2675747977307006
Energy: 1.3591312417221686
Energy: 1.7649975276955854
Energy: 1.2690409531085576
Energy: 1.3593337764443065
Energy: 1.9390110303534103
Energy: 1.169199873782033
Energy: 1.1673020181066485
Energy: 1.4462726960519348
Energy: 1.1725992636450235
Energy: 1.1674876732865969
Energy: 2.0134800032052853
Energy: 1.5689961015867615
Energy: 1.6163238865510041
Energy: 1.4471646633271744
Energy: 1.2112737328135579
Energy: 1.4036201253302134
Energy: 1.5532039096014234
Energy: 1.4325155462242964
Energy: 1.3945079731263264
Energy: 1.3294043191457163
Energy: 1.6142811575463696
Energy: 1.4009422409841414
Energy: 1.2074459640392734
Energy: 1.3391396056423863
Energy: 1.3381239230397293
Energy: 1.2073333238654507
Energy: 1.4873436683003585
Energy: 1.439286784330734
Energy: 1.257786683199673
Energy: 1.2893928163365278
Energy: 1.277014430939273
Energy: 1.2591538996617933
Energy: 1.3242883013832643
Energy: 1.3045649962363979
Energy: 1.2914522667329735
Energy: 1.5685511682451687
Energy: 1.5724284382942701
Energy: 1.2913457899429404
Energy: 1.652283498330168
Energy: 1.5894416222865024
Energy: 1.5349356882900458
Energy: 1.4491496153663743
Energy: 1.5283199448337172
Energy: 1.2935810290353988
Energy: 1.5490801451644394
Energy: 1.2927625219085777
Energy: 1.367067534411162
Energy: 1.324071368321169
Energy: 1.2992836270368882
Energy: 1.2799063135462454
Energy: 1.313867002214095
Energy: 1.2327372361427464
Energy: 1.4946377012084102
Energy: 1.2311486766287392
Energy: 1.2341150861081578
Energy: 1.4081645436575856
Energy: 1.3008609768009678
Energy: 1.230939109149261
Energy: 1.9249438728656516
Energy: 1.2712144336997313
Energy: 1.462591618741744
Energy: 1.7688924397917516
Energy: 1.5274716352470072
Energy: 1.5170371393891495

minimum gb energy = 1.1673020181066485 eV
minimum distance =  2.52979303485883 Angstroms
sigma value = 9


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

Energy: 2.2387777249249927
Energy: 2.0530713831950163
Energy: 1.4744738854422574
Energy: 2.2114982867656816
Energy: 2.2450026734950668
Energy: 1.6826922692195552
Energy: 1.5099343745076612
Energy: 1.1529020859131398
Energy: 1.2424439655640815
Energy: 1.3879301866268368
Energy: 1.154219245605113
Energy: 1.1351618455891492
Energy: 1.5182757885014133
Energy: 1.0377494936898943
Energy: 1.0301373401408602
Energy: 1.2743223104499093
Energy: 1.0345280850940963
Energy: 1.168448719440106
Energy: 1.4575087176349022
Energy: 1.2210795353360873
Energy: 1.2599986179012344
Energy: 1.4610841886520338
Energy: 1.2351163921874575
Energy: 1.2549020164357811
Energy: 1.6118496154178608
Energy: 1.3876818242252564
Energy: 1.3753653873690332
Energy: 1.423340077875334
Energy: 1.4072926094053058
Energy: 1.374021739701224
Energy: 1.1782888358029084
Energy: 1.3980620350990451
Energy: 1.5380111007621997
Energy: 1.178221149437417
Energy: 1.3926189151726485
Energy: 1.4030344641016974
Energy: 1.1810868776878167
Energy: 1.3350327216761073
Energy: 1.2505174254519815
Energy: 1.1837511339552762
Energy: 1.5764477624711888
Energy: 1.2525759164224366
Energy: 1.1418481917218317
Energy: 1.2676495971148083
Energy: 1.432803129151069
Energy: 1.142732781335532
Energy: 1.3066032805873569
Energy: 1.2864694531007135
Energy: 1.627929375031089
Energy: 1.3318355017692043
Energy: 1.3278794620083925
Energy: 1.5821286561225087
Energy: 1.3449649167360929
Energy: 1.3187091614412259
Energy: 1.70255040958019
Energy: 1.2383014755772186
Energy: 1.3240632870068227
Energy: 1.7044536045535037
Energy: 1.4246611179480109
Energy: 1.4012215138162538
Energy: 1.717609246788087
Energy: 1.096460635843862
Energy: 1.0962678202303426
Energy: 1.468104608316003
Energy: 1.1008753032955692
Energy: 1.145549045365068
Energy: 1.6938845436986651
Energy: 1.1354945010458797
Energy: 1.145575603016479
Energy: 1.3831351920896993
Energy: 1.1357630549480915
Energy: 1.1612208285582923
Energy: 1.9693358493196098
Energy: 1.3835971270856111
Energy: 1.3744082492241787
Energy: 1.9584572890151282
Energy: 1.783033895529531
Energy: 1.5365658760249987
Energy: 1.5886536642153966
Energy: 1.3350882350302813
Energy: 1.3308219559128405
Energy: 1.3400018404572753
Energy: 1.551558338157247
Energy: 1.314863361931425
Energy: 1.2530258662090132
Energy: 1.1304393284457406
Energy: 1.1360365066264668
Energy: 1.2545063265026986
Energy: 1.2102277620654
Energy: 1.3074150863085623
Energy: 1.0992395203047596
Energy: 1.235134950790094
Energy: 1.1531613538311924
Energy: 1.034214994132717
Energy: 1.132411237038593
Energy: 1.0893779371264085
Energy: 1.1527512472823316
Energy: 1.4027295921990612
Energy: 1.4024411298378467
Energy: 1.153623690394593
Energy: 1.4486465246755615
Energy: 1.3575093766650081
Energy: 1.3846009225280815
Energy: 1.542890662349388
Energy: 1.5702982787039066
Energy: 1.3848839486066777
Energy: 1.535687732895774
Energy: 1.5077648997651467
Energy: 1.3160886639553147
Energy: 1.1540696400983854
Energy: 1.2381810618100542
Energy: 1.2800692871561856
Energy: 1.2059941919579025
Energy: 1.2745825573844247
Energy: 1.1261749834574717
Energy: 1.1426558390048034
Energy: 1.2070708380568804
Energy: 1.1281759590444689
Energy: 1.1303178393403859
Energy: 1.2553596952569206
Energy: 1.3146466262360832
Energy: 1.2066004373630212
Energy: 1.2793068737273743
Energy: 1.2566882744361254
Energy: 1.2880174110694533
Energy: 1.3908973285194794
Energy: 2.2361528624628386
Energy: 1.3951743739416604
Energy: 1.3704833039752784
Energy: 1.6805539507476732
Energy: 1.3808797174446006
Energy: 1.685272636281803
Energy: 2.238189278852586
Energy: 1.152318469702949
Energy: 1.3437879979915377
Energy: 1.50594457463237
Energy: 1.1515971456245508
Energy: 1.3311656352502228
Energy: 1.5104561399690677
Energy: 1.030152814379443
Energy: 1.0364727042682746
Energy: 1.4109123802272046
Energy: 1.077943423664468
Energy: 1.1177875722565673
Energy: 1.4536023537619513
Energy: 1.2026727882431096
Energy: 1.3525695368519293
Energy: 1.458822044123183
Energy: 1.1480361213250028
Energy: 1.2910968220286534
Energy: 1.5530164916052063
Energy: 1.4547661662451405
Energy: 1.4215244874136113
Energy: 1.554384841573024
Energy: 1.5334198252032807
Energy: 1.3940708924433929
Energy: 1.395991344830011
Energy: 1.3947975497855023
Energy: 1.3889349663741117
Energy: 1.3960334092763795
Energy: 1.6987238500572188
Energy: 1.7352100772337582
Energy: 1.1478425721146759
Energy: 1.359041203938762
Energy: 1.3033406129223073
Energy: 1.1496627122776708
Energy: 1.399808396189914
Energy: 1.1458153644717124
Energy: 1.1392322303468818
Energy: 1.362445460463221
Energy: 1.3472462531054368
Energy: 1.138212844203136
Energy: 1.4012955502427435
Energy: 1.1890086230325008
Energy: 1.503616403671818
Energy: 1.268625710216946
Energy: 1.4320145235831676
Energy: 1.4358920122334506
Energy: 1.3061183252248518
Energy: 1.375182882013486
Energy: 1.7827504862661794
Energy: 1.2426252583236395
Energy: 1.3442098816402015
Energy: 1.5430319967029216
Energy: 1.4808479113627728
Energy: 1.3276246713805548
Energy: 1.6986609935802297
Energy: 1.1993468205488864
Energy: 1.2533927089227883
Energy: 1.7116115718265439
Energy: 1.1993151120549619
Energy: 1.4253474704873201
Energy: 1.7292632495170723
Energy: 1.176791368573438
Energy: 1.1770892684857714
Energy: 1.3461066844949354
Energy: 1.2170536457016876
Energy: 1.2771055696950775
Energy: 1.9689854538211122
Energy: 1.140637400283886
Energy: 1.1419891102594633
Energy: 1.9591468332154116
Energy: 1.14775751609102
Energy: 1.5601484705632538
Energy: 2.0238411736981785
Energy: 1.3413050144076955
Energy: 1.4660999074375118
Energy: 1.3675776545591734
Energy: 1.2736903390881955
Energy: 1.4685696452551433
Energy: 1.317286800465728
Energy: 1.1395136028238133
Energy: 1.1949112413521525
Energy: 1.3131297836649167
Energy: 1.2168020369524548
Energy: 1.2259460112750231
Energy: 1.0480377700993078
Energy: 1.2417860794620756
Energy: 1.2555619634466155
Energy: 1.0499138888205901
Energy: 1.211941915738275
Energy: 1.1036991224868267
Energy: 1.1610415391002036
Energy: 1.3643228816807338
Energy: 1.3390373245700011
Energy: 1.163248132062469
Energy: 1.346779377758668
Energy: 1.2997825460696868
Energy: 1.51932520387732
Energy: 1.5398653337994148
Energy: 1.5392101420030075
Energy: 1.7164395583592222
Energy: 1.9521358601522456
Energy: 1.9026561605039694
Energy: 1.348138971727466
Energy: 1.514845756565174
Energy: 1.3105853160546652
Energy: 1.3455393718465838
Energy: 1.5291412398409931
Energy: 1.3124418132817852
Energy: 1.1250967629709019
Energy: 1.1425725839397378
Energy: 1.2359666357273316
Energy: 1.12701625614728
Energy: 1.0911189927192795
Energy: 1.1805503561586799
Energy: 1.223774141207394
Energy: 1.0794266653333648
Energy: 1.0858097754952825
Energy: 1.1236195146880006
Energy: 1.1150088664637632
Energy: 1.1387569692774748
Energy: 2.216868933271303
Energy: 1.3513535916156356
Energy: 1.3591868042842141
Energy: 1.5144715215709124
Energy: 1.3657383819109006
Energy: 1.3105277030302553

minimum gb energy = 1.0301373401408602 eV
minimum distance =  2.56835854133969 Angstroms
sigma value = 57


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

Energy: 0.523379589619963
Energy: 1.618668443128935
Energy: 0.5347520657283725
Energy: 0.527361079771123
Energy: 1.6224099618821468
Energy: 0.5240121888296753
Energy: 0.6244959190817794
Energy: 0.7010738672253052
Energy: 0.7019563007504324
Energy: 0.5710394550915124
Energy: 0.5718405135265194
Energy: 0.7018213488763257
Energy: 0.6253362560515456
Energy: 0.716977447545358
Energy: 0.717174942674055
Energy: 0.6269858336029658
Energy: 0.5708986890889148
Energy: 0.7170962026521773
Energy: 0.6239019427609495
Energy: 0.7388730604007543
Energy: 0.7387505597601823
Energy: 0.6282497322582611
Energy: 0.6256293861140014
Energy: 0.7390329825846726
Energy: 0.6241515623386676
Energy: 0.5242634771775807
Energy: 0.5244645207558362
Energy: 0.6250409183888287
Energy: 0.5242041298939287
Energy: 0.7028647931987483
Energy: 0.5714007355115627
Energy: 0.5241825820472001
Energy: 0.5241600864098885
Energy: 0.5716644697242169
Energy: 0.5241326179574394
Energy: 0.5584851195523964
Energy: 0.5697170033759423
Energy: 0.701077752443906
Energy: 0.7008023896657789
Energy: 0.570570373678439
Energy: 0.7400270368231434
Energy: 0.7026303757881208
Energy: 0.5716692095845325
Energy: 0.7399568963228612
Energy: 0.7402129992298819
Energy: 1.2784382063604949
Energy: 0.6279767195330038
Energy: 0.7400464941381121
Energy: 0.6246727516913972
Energy: 0.7393116070058038
Energy: 0.7177225705142705
Energy: 0.6247711196548378
Energy: 0.6268436808337555
Energy: 0.7172668548800121
Energy: 0.5329594914989465
Energy: 0.7171891904012875
Energy: 0.6904725690087742
Energy: 0.5242726948815079
Energy: 0.629178065934639
Energy: 0.683607264600977
Energy: 0.5240283165542182
Energy: 0.6904774112601344
Energy: 0.6919691542570732
Energy: 0.5241081919708503
Energy: 0.5714707792475809
Energy: 0.5596029133908652
Energy: 0.6256042678915003
Energy: 0.7192673309043219
Energy: 0.7193618799650509
Energy: 0.6261462391439201
Energy: 0.5724673560409422
Energy: 0.7170916440923969
Energy: 1.7801189679260145
Energy: 1.387751672314405
Energy: 1.3892808033944815
Energy: 1.7903711540852443
Energy: 1.2368982051515625
Energy: 1.3935286958059372
Energy: 0.6249269011165897
Energy: 0.7194588521776248
Energy: 0.7187995404615871
Energy: 0.6249906883507107
Energy: 0.5716998131355061
Energy: 0.7195176192941957
Energy: 0.6254903114845892
Energy: 0.5240011441719011
Energy: 0.5240146998489604
Energy: 0.625349746285474
Energy: 0.5281126657706837
Energy: 0.6905303346860898
Energy: 0.571654666376558
Energy: 0.572355451528154
Energy: 0.7023794077682832
Energy: 0.5720815146769227
Energy: 0.5243042477781181
Energy: 0.702022015357427
Energy: 0.5717722928880997
Energy: 0.7173871762501287
Energy: 0.7171239549419347
Energy: 0.5713952155070251
Energy: 0.6266808095020499
Energy: 0.7169855061986542
Energy: 0.6253913873192585
Energy: 0.7394892531018242
Energy: 0.7393850000288427
Energy: 0.6256009864732037
Energy: 0.6279693539569563
Energy: 0.739392564260672
Energy: 0.5241671265951399
Energy: 0.7404293725900508
Energy: 0.701505644566433
Energy: 0.5242346077203938
Energy: 0.6248779111648568
Energy: 0.7029622026418714

minimum gb energy = 0.523379589619963 eV
minimum distance =  2.62353946793421 Angstroms
sigma value = 11


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

Energy: 1.7781257992967918
Energy: 2.000582907975343
Energy: 1.5236873258631352
Energy: 1.781460731121591
Energy: 2.1010590185451234
Energy: 1.6382870402672098
Energy: 1.0659961013726322
Energy: 0.9475850660766816
Energy: 0.973668365022964
Energy: 1.0101245662766312
Energy: 0.9058550083924878
Energy: 0.982930911960229
Energy: 0.9262641839843078
Energy: 0.9463150263674599
Energy: 0.9906851029362282
Energy: 0.9247980725865271
Energy: 0.9545919117128163
Energy: 1.0314228505181446
Energy: 0.9494183823025355
Energy: 0.990585860277489
Energy: 1.0213123885390223
Energy: 0.9516318155013996
Energy: 0.9088776012532744
Energy: 1.0079797732692566
Energy: 1.168199258157808
Energy: 1.4079113949361493
Energy: 1.3877072060692541
Energy: 1.1151589786293228
Energy: 1.4239935817463771
Energy: 1.154759483706061
Energy: 1.2901261535184991
Energy: 1.5827912084008882
Energy: 1.560886726614895
Energy: 1.392958093240712
Energy: 1.5810621991057674
Energy: 1.6779212885749026
Energy: 1.164966522705271
Energy: 1.1798462910367
Energy: 1.081095299043488
Energy: 0.9560633717312175
Energy: 1.1803284517436867
Energy: 0.9388995103251879
Energy: 1.036157449303013
Energy: 1.0083386172393383
Energy: 1.0634534868538954
Energy: 1.039113797307189
Energy: 0.9478877062999936
Energy: 1.1393607990310695
Energy: 1.4871379490064256
Energy: 0.9746193324303507
Energy: 1.01726635177032
Energy: 1.1740255244636844
Energy: 0.9714650431844228
Energy: 1.0097676652053613
Energy: 1.5623029575091125
Energy: 1.5359370443071712
Energy: 1.4237847862835284
Energy: 1.5654679500671704
Energy: 1.542888544996624
Energy: 1.5156973110919338
Energy: 1.9497722050066268
Energy: 1.533680296092688
Energy: 1.3836663356810806
Energy: 1.522049864843518
Energy: 1.7205525116651428
Energy: 1.4585579931634811
Energy: 1.3233917921792555
Energy: 1.1915390255831066
Energy: 1.2552251397238465
Energy: 1.3241857425838959
Energy: 1.241603528990068
Energy: 1.2980955420774984
Energy: 1.1263542093531427
Energy: 1.1855115281453434
Energy: 1.1908826569385427
Energy: 1.1060339197694629
Energy: 1.2368808385542083
Energy: 1.1677019549770986
Energy: 1.1406872440928226
Energy: 1.1464297796422682
Energy: 1.1262752480171772
Energy: 1.1409466750968111
Energy: 1.4891652468758487
Energy: 1.0659123310257328
Energy: 1.3981573645117475
Energy: 1.4003976658690873
Energy: 1.310672755943041
Energy: 1.3987977531332623
Energy: 1.3877588977124231
Energy: 1.521197159081831
Energy: 1.5950836807745907
Energy: 1.3480524019802547
Energy: 1.3449210619272
Energy: 1.591797130101208
Energy: 1.3998513217085216
Energy: 1.3940158693648643
Energy: 1.3527291701820368
Energy: 1.4569212077009663
Energy: 1.3869435023844197
Energy: 1.3554310107871543
Energy: 1.4356753806783868
Energy: 1.4465484559692474
Energy: 1.7987681680957677
Energy: 1.237184197515856
Energy: 1.2054767506103954
Energy: 1.3544160791595456
Energy: 1.2348764122602545
Energy: 1.1695081702281278
Energy: 1.6573958980053412
Energy: 1.1098821350268282
Energy: 1.134635097388048
Energy: 1.1762589217617512
Energy: 1.1089088404349645
Energy: 1.1857189409148123
Energy: 1.1848552905683725
Energy: 1.22468388694814
Energy: 1.2848242156870684
Energy: 1.1807890086423876
Energy: 1.1719042520921226
Energy: 1.3313271853689554
Energy: 1.5965360190360616
Energy: 1.3080892217872393
Energy: 1.3739805982372693
Energy: 1.5984783433088043
Energy: 1.4097198474365442
Energy: 1.4030025310884944
Energy: 1.685239201282468
Energy: 1.5022318818356069
Energy: 1.4117382813146933
Energy: 1.6859358587596773
Energy: 1.5116225847904825
Energy: 1.6128012562712448
Energy: 0.9725675669654504
Energy: 1.1340000066781422
Energy: 1.068668669562905
Energy: 0.970885260119484
Energy: 1.5165695613006291
Energy: 0.9915740353614053
Energy: 0.9673564539751339
Energy: 1.0963188959127215
Energy: 1.1301786739779076
Energy: 0.970160566491096
Energy: 1.1232358284599848
Energy: 1.0345662774228352
Energy: 0.9580424275500803
Energy: 1.0800379993438287
Energy: 1.0947630396166375
Energy: 0.9601730363608612
Energy: 1.120687735398014
Energy: 1.1274842901254447
Energy: 2.148678130061956
Energy: 1.3168335515443037
Energy: 1.1890985866452688
Energy: 1.725425109790381
Energy: 1.3537466377335714
Energy: 1.3789184165071455

minimum gb energy = 0.9058550083924878 eV
minimum distance =  2.52902799547272 Angstroms
sigma value = 41


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

Energy: 1.6984824474706828
Energy: 1.8444648314335332
Energy: 1.6099570645009362
Energy: 1.701429210700493
Energy: 1.8443113101240671
Energy: 1.3973838590955985
Energy: 0.9838432939435199
Energy: 1.017009186139744
Energy: 1.0177185308582757
Energy: 1.1313299327714461
Energy: 0.9857047509079241
Energy: 1.0849621758706924
Energy: 1.023807255805063
Energy: 1.0234938666090034
Energy: 1.0807094403560356
Energy: 1.0257044019144856
Energy: 1.049157355118885
Energy: 1.0989050431080207
Energy: 1.04763637509278
Energy: 1.0547054354670815
Energy: 1.0943594780458124
Energy: 1.0494441507731758
Energy: 0.9637878845764015
Energy: 1.0586042370025655
Energy: 1.2473314981996892
Energy: 1.4729883138315605
Energy: 1.4731202407512665
Energy: 0.9841374817168614
Energy: 1.2689481995803655
Energy: 1.1947623480283762
Energy: 1.214919586427951
Energy: 1.6436621481095204
Energy: 1.4572477099540186
Energy: 1.3755240808863105
Energy: 1.6436029900431897
Energy: 1.458050998187424
Energy: 1.3698849213248054
Energy: 1.1919255981540113
Energy: 1.2822148628347725
Energy: 1.047452214778354
Energy: 1.2444994741496085
Energy: 1.2788140051604004
Energy: 1.1869750579891887
Energy: 1.0782913333309403
Energy: 1.1458146982533794
Energy: 1.1899244289815598
Energy: 1.0916747152054287
Energy: 1.1968266654810242
Energy: 1.6757436417456797
Energy: 1.0358106729724281
Energy: 1.0343076223103467
Energy: 1.4951440461050505
Energy: 1.0377854124052897
Energy: 1.119238992372598
Energy: 1.4352931177716737
Energy: 1.3754311865700608
Energy: 1.4370522622815902
Energy: 1.4375460691667936
Energy: 1.3748323572152485
Energy: 1.4138253517655854
Energy: 1.4323291253119679
Energy: 1.4573285920967234
Energy: 1.3446776636934339
Energy: 1.4282798231996314
Energy: 1.4748248823085501
Energy: 1.3460263684077403
Energy: 1.47952842102996
Energy: 1.366055564154445
Energy: 1.3120434225593587
Energy: 1.4802618291077394
Energy: 1.4700440286858385
Energy: 1.354757557459988
Energy: 1.3032804446788955
Energy: 1.3660537259588517
Energy: 1.3117684411563222
Energy: 1.3114597641230803
Energy: 1.470348116657733
Energy: 1.3042807243349244
Energy: 1.0354993784205069
Energy: 1.1529111782998944
Energy: 1.1039135275268865
Energy: 1.0366487800056496
Energy: 1.0565283023722774
Energy: 1.071550191164089
Energy: 1.048492299959799
Energy: 1.3958228637295769
Energy: 1.2774098521649522
Energy: 1.0493402090700752
Energy: 1.3854912684777734
Energy: 1.2137792488008146
Energy: 1.2964393899463282
Energy: 1.0207592525120048
Energy: 1.025233699223298
Energy: 1.2846975132120444
Energy: 1.355376008341996
Energy: 1.0618989058666048
Energy: 1.7016735426449394
Energy: 1.5016661825654631
Energy: 1.62823442042553
Energy: 1.7040345201536715
Energy: 1.5015069378053396
Energy: 1.3328060846139265
Energy: 2.211569942769588
Energy: 1.1359508119535222
Energy: 1.1707547332651362
Energy: 1.5540221371188563
Energy: 0.9859189390429279
Energy: 1.2842025567063626
Energy: 1.0247006922553028
Energy: 1.0251923705565962
Energy: 1.0821074463459393
Energy: 0.9993900926102519
Energy: 1.047743182597764
Energy: 1.0798972956276507
Energy: 1.0575831208857198
Energy: 1.0722130990140073
Energy: 1.0615638028891163
Energy: 1.0505412503412923
Energy: 1.0039354185374538
Energy: 1.043778702626009
Energy: 1.0447324556804591
Energy: 1.1811440256709749
Energy: 1.0474805976474348
Energy: 0.9839461331909556
Energy: 1.1340057107710018
Energy: 1.047745801898965
Energy: 1.5131181093254262
Energy: 1.643922135929894
Energy: 1.6109393514040207
Energy: 1.528048506104298
Energy: 1.7273921224386566
Energy: 1.4542002115626345
Energy: 1.4566748971383607
Energy: 1.1403208012325083
Energy: 1.2822188380417787
Energy: 1.0446945854002248
Energy: 1.3069640838518681
Energy: 1.2802253834516284
Energy: 1.1850353664138185
Energy: 1.1146698674278732
Energy: 1.1463632274981073
Energy: 1.1876744452633032
Energy: 1.0694871186032426
Energy: 1.1054530015313633
Energy: 1.7321048834274326
Energy: 1.0359697668206458
Energy: 1.0732081091662684
Energy: 1.0540810059153913
Energy: 1.0365493545664357
Energy: 1.103903197295126
Energy: 1.4307617175977205
Energy: 1.3119350067537685
Energy: 1.3805250822181852
Energy: 1.4283466408982917
Energy: 1.0356411576659441
Energy: 1.3548090430831823
Energy: 1.4354151799419672
Energy: 1.4531157052562407
Energy: 1.4019103140042004
Energy: 1.429098690647107
Energy: 1.408556371366875
Energy: 1.5471256133615723
Energy: 1.739595647348217
Energy: 1.1094027717467707
Energy: 1.0965250070988874
Energy: 1.7202666827690116
Energy: 0.9507656790255979
Energy: 1.2586084437220566
Energy: 1.3917046417792145
Energy: 1.4820873053780923
Energy: 1.3538332691907673
Energy: 1.3935815525380517
Energy: 1.4762455350015298
Energy: 1.2864798737811767
Energy: 1.036981645925054
Energy: 1.250424560517834
Energy: 1.0718209736267024
Energy: 1.036108533822834
Energy: 1.1738575836209173
Energy: 1.0718823353938929
Energy: 1.031832845778871
Energy: 1.2829776979217968
Energy: 1.1872789360966631
Energy: 1.0284788684910016
Energy: 1.3189208905991403
Energy: 1.1873594258811904
Energy: 1.0563582259468984
Energy: 1.0348489723986471
Energy: 1.036620603791293
Energy: 1.0528127818737385
Energy: 0.9861514771371586
Energy: 1.062392214493834
Energy: 1.7141263597705796
Energy: 1.3016673246013868
Energy: 1.455667777931073
Energy: 1.7156633352440183
Energy: 1.2925690942832915
Energy: 1.5768600079293702

minimum gb energy = 0.9507656790255979 eV
minimum distance =  2.50690788186232 Angstroms
sigma value = 33


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

Energy: 1.3328674034095698
Energy: 1.7729183159283073
Energy: 1.3725231044291564
Energy: 1.3354278888256776
Energy: 1.7715560099177747
Energy: 1.6311805826915473
Energy: 1.4483121114141677
Energy: 1.1059507041933392
Energy: 1.1038662718219976
Energy: 1.5130847590316998
Energy: 1.0711098741127116
Energy: 1.1459625595501777
Energy: 1.1312951245231284
Energy: 1.1049942890147717
Energy: 1.0959372761943285
Energy: 1.1331655921212542
Energy: 1.1602046386876523
Energy: 1.2161183585196207
Energy: 1.151905888411998
Energy: 1.1729999328910552
Energy: 1.0822592824533879
Energy: 1.1534354586645421
Energy: 1.0360903706874918
Energy: 1.1364808738988554
Energy: 1.064730654302983
Energy: 1.3974836960198354
Energy: 1.1430524921911958
Energy: 1.0714646792304554
Energy: 1.4468097376168112
Energy: 1.1336232466623097
Energy: 1.37706059925101
Energy: 1.5295863643593446
Energy: 1.342980003374797
Energy: 1.3103126768995998
Energy: 1.7215333512642235
Energy: 1.186434429296896
Energy: 1.285676655480753
Energy: 1.0968950936415198
Energy: 1.364151689580353
Energy: 1.1589886013369644
Energy: 1.1562083460302075
Energy: 1.3628527426923054
Energy: 1.3341968840977534
Energy: 1.1545944936751802
Energy: 1.1598565527329219
Energy: 1.3374478894847281
Energy: 1.2119096957556958
Energy: 1.306468263396885
Energy: 1.4897254487166003
Energy: 1.0320756388599341
Energy: 1.025056576601084
Energy: 1.565839661693587
Energy: 1.0264678406228087
Energy: 1.0710759755425645
Energy: 1.706949887450277
Energy: 1.211335244781275
Energy: 1.1906400661526324
Energy: 1.5135332765834728
Energy: 1.1499002943430805
Energy: 1.1887086784555712
Energy: 1.5076551483925273
Energy: 1.3090902201898729
Energy: 1.402911359148115
Energy: 1.0560810141367325
Energy: 1.2374955297573296
Energy: 1.3646777088962414
Energy: 1.2495885991343945
Energy: 1.615388257174473
Energy: 1.4165347000329442
Energy: 1.2514683012442676
Energy: 1.3537434846297995
Energy: 1.4159465700301332
Energy: 1.2576766888715585
Energy: 1.6886924779528556
Energy: 1.6155087056873958
Energy: 1.258321533191081
Energy: 1.6885930865527259
Energy: 1.4183091066391869
Energy: 1.0647944584450333
Energy: 1.091029469748741
Energy: 1.1705656152952624
Energy: 1.0664051035966258
Energy: 1.0938227796092963
Energy: 1.1085416900448413
Energy: 0.9537725170599302
Energy: 1.2296878668303164
Energy: 1.2427385080771856
Energy: 1.1991761882274028
Energy: 1.1547043953536575
Energy: 1.17415789304418
Energy: 1.0278431862508783
Energy: 1.1056886095953418
Energy: 1.1084365348411171
Energy: 1.0196240250469577
Energy: 1.1643765293070856
Energy: 1.1487187875657598
Energy: 1.7179462773629879
Energy: 1.6814619222133353
Energy: 1.3210073781856855
Energy: 1.7198121233939816
Energy: 1.6727162340431816
Energy: 1.4816378015941747
Energy: 1.8703054805806816
Energy: 1.259069643793397
Energy: 1.1295934448771414
Energy: 1.657351103635752
Energy: 1.3246089758359816
Energy: 1.1267900381665776
Energy: 1.034918556528244
Energy: 1.3401816290244302
Energy: 1.2236066048061474
Energy: 1.0365159141569975
Energy: 1.3112938943140655
Energy: 1.249795586875852
Energy: 1.1288215023983528
Energy: 1.1845409040851895
Energy: 1.1488739443544411
Energy: 1.130394238076555
Energy: 1.3116656464352845
Energy: 1.1913241288435397
Energy: 1.0274275774915733
Energy: 1.26643275482952
Energy: 1.0614729821554867
Energy: 1.02914733126276
Energy: 1.1684317212036663
Energy: 1.0631677539343043
Energy: 1.1977484729552663
Energy: 1.5531286301921632
Energy: 1.5098524620594123
Energy: 1.199210728057788
Energy: 1.5372154800648508
Energy: 1.2627456037111588
Energy: 1.4039261463810393
Energy: 1.1080515364216301
Energy: 1.35747326565857
Energy: 1.4683514854317328
Energy: 1.0684280510852513
Energy: 1.402817232931808
Energy: 1.3348066137962227
Energy: 1.311844383799667
Energy: 1.347499381482173
Energy: 2.104524824785281
Energy: 1.31805805295966
Energy: 1.3481820012857912
Energy: 1.8866213123836022
Energy: 1.0652330520614601
Energy: 1.103342281545163
Energy: 1.4528191695725103
Energy: 1.0756425757104617
Energy: 1.141577388281285
Energy: 1.1261272009369132
Energy: 1.0999612670840409
Energy: 1.1008243497684551
Energy: 1.1279605063519058
Energy: 1.0997982236848738
Energy: 1.196943735622406
Energy: 1.1532044519609874
Energy: 1.1814012020156872
Energy: 1.0834323653288476
Energy: 1.1551086405142805
Energy: 1.0713396559680786
Energy: 1.134132559921977
Energy: 1.2264425871282238
Energy: 1.3678217820783765
Energy: 1.1341835975398313
Energy: 1.0760398162627582
Energy: 1.4983703583227628
Energy: 1.1372918447328328
Energy: 1.7210401087226435
Energy: 1.6403411359354374
Energy: 1.3735476314977666
Energy: 1.7230085721582389
Energy: 1.720130126749927
Energy: 1.2235255204601196
Energy: 1.2840793755752435
Energy: 1.150756780050228
Energy: 1.3639612426558312
Energy: 1.3071433601176161
Energy: 1.1534932149465797
Energy: 1.3623639662803018
Energy: 1.3337484197954401
Energy: 1.180569829834855
Energy: 1.087555216908396
Energy: 1.3369896403990849
Energy: 1.1832635047204663
Energy: 1.1209923855387096
Energy: 1.876312245427806
Energy: 1.025848943092541
Energy: 1.0237405537170985
Energy: 1.1822412142944192
Energy: 1.0292653004332888
Energy: 1.0982009480237158
Energy: 1.4829697005053715
Energy: 1.1246128705242164
Energy: 1.1880848826263832
Energy: 1.4361852819619654
Energy: 1.1316577440683226
Energy: 1.187927342453417
Energy: 1.5999201775277483
Energy: 1.2413121780615222
Energy: 1.4207656177251817
Energy: 1.5295198651354076
Energy: 1.173522959595517
Energy: 1.3673730941342832
Energy: 1.4631341792962178
Energy: 1.0284863173908194
Energy: 1.3568229642303646
Energy: 1.2600149443977624
Energy: 1.023616790603984
Energy: 1.2744021758833617
Energy: 1.2960003696245226
Energy: 1.69042888735285
Energy: 1.291876482715022
Energy: 1.2983190473282473
Energy: 1.709858110446479
Energy: 1.4219500502274294
Energy: 1.0637198594113546
Energy: 1.174969351812285
Energy: 1.1805329107674383
Energy: 1.0651661039526594
Energy: 1.0922432791029324
Energy: 1.108765414901157
Energy: 0.970990642608057
Energy: 1.226472779734853
Energy: 1.2241372774256922
Energy: 0.9703788189847508
Energy: 1.1539752854526861
Energy: 1.3478871925147993
Energy: 1.025616503737757
Energy: 1.1669789081545694
Energy: 1.1334671199154716
Energy: 1.0272323318568568
Energy: 1.1614655530249902
Energy: 1.137990331526072
Energy: 1.7011236889757326
Energy: 1.338901732983127
Energy: 1.2173307771198787
Energy: 1.7036708840692867
Energy: 1.3444569761965608
Energy: 1.4073343512769296
Energy: 1.7035263135903502
Energy: 1.166008516794979
Energy: 1.2310189336866137
Energy: 1.510120533684594
Energy: 1.3377589680779414
Energy: 1.2978706452422202
Energy: 1.0324228854943565
Energy: 1.3424158252600003
Energy: 1.1406261746047364
Energy: 1.03395506098228
Energy: 1.313078548328556
Energy: 1.1296404864610199
Energy: 1.209390515364891
Energy: 1.3605010138664302
Energy: 1.240659642657873
Energy: 1.211101286113729
Energy: 1.3289475387243106
Energy: 1.0980509911663752
Energy: 1.0236176967164197
Energy: 1.094874798107056
Energy: 1.0617510457235482
Energy: 1.0252894860265271
Energy: 1.1730315740450172
Energy: 1.0646854591526695
Energy: 1.2218639258354143
Energy: 1.6190130462076362
Energy: 1.389504333949009
Energy: 1.2238938902634566
Energy: 1.6169133404855944
Energy: 1.2357622612564523
Energy: 1.4016835042760993
Energy: 1.104428977048157
Energy: 1.297255476497604
Energy: 1.4020500350400473
Energy: 1.0672036601101476
Energy: 1.3609251466380627
Energy: 2.099199575595777
Energy: 1.3147908913448416
Energy: 1.3518565114923207
Energy: 1.9115862688943972
Energy: 1.311148096884197
Energy: 1.4175314669545613

minimum gb energy = 0.9537725170599302 eV
minimum distance =  2.55039989726923 Angstroms
sigma value = 67


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

Energy: 1.5409995296800953
Energy: 1.471804040225328
Energy: 1.1357267764324026
Energy: 1.5460096127103247
Energy: 1.4720554417553748
Energy: 1.5282163348740536
Energy: 1.1904909047878787
Energy: 0.9762028635791389
Energy: 1.0315861181698964
Energy: 1.1836049074586155
Energy: 0.9846541052332815
Energy: 0.8840155505886723
Energy: 1.2597685032327288
Energy: 0.9537793738475432
Energy: 1.1191259189135045
Energy: 1.2613486301501737
Energy: 0.9536764327382184
Energy: 1.3946552065776208
Energy: 1.2742894567194076
Energy: 1.120186986336398
Energy: 1.2497938535959219
Energy: 1.2328783792917377
Energy: 1.0884698008129754
Energy: 1.1208024908668497
Energy: 1.290518481457017
Energy: 1.252849235304681
Energy: 1.2494050021791812
Energy: 1.3079958554703428
Energy: 1.029622868616669
Energy: 1.121823937830168
Energy: 1.306993232229044
Energy: 1.2543728793752698
Energy: 1.459900325486373
Energy: 1.3076834563962207
Energy: 1.1806785091585006
Energy: 1.4595971662054854
Energy: 1.4885452214880999
Energy: 1.2225629318915407
Energy: 1.2512608848208224
Energy: 1.4907809803496244
Energy: 1.0689528384030345
Energy: 1.0317537570719946

minimum gb energy = 0.8840155505886723 eV
minimum distance =  2.59546085524681 Angstroms
sigma value = 3


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

Energy: 1.9615564128543261
Energy: 1.7269238303389745
Energy: 1.3589022475398038
Energy: 1.9451937413235396
Energy: 1.7112907658446572
Energy: 1.5192477775780364
Energy: 1.619747773296696
Energy: 1.3709345586877555
Energy: 1.37815306055218
Energy: 1.4499052863836872
Energy: 1.368805107613546
Energy: 1.4560081022370364
Energy: 1.4839822228131012
Energy: 1.4873702913233497
Energy: 1.4892729624544994
Energy: 1.3952889519105853
Energy: 1.6139594070599264
Energy: 1.5599374524863632
Energy: 1.0384286816172814
Energy: 1.5244121155932164
Energy: 1.3441212986871731
Energy: 1.0490490609512515
Energy: 1.5596109435783072
Energy: 1.1149134430542809
Energy: 1.1563144290628846
Energy: 1.4332096241531727
Energy: 1.344321429598997
Energy: 1.0570334628009364
Energy: 1.4382169279114132
Energy: 1.1831650446970003
Energy: 1.424981130174143
Energy: 1.433679349816744
Energy: 1.4360807519762104
Energy: 1.3432270975803906
Energy: 1.5035758058986675
Energy: 1.4734080935495935
Energy: 1.511891764325144
Energy: 1.3123743041108205
Energy: 1.276080741054523
Energy: 1.1575066161810992
Energy: 1.2967954710055611
Energy: 1.3387208761087417
Energy: 1.8321399661721656
Energy: 1.662693023721061
Energy: 1.3701311784450436
Energy: 1.852858089825895
Energy: 1.632218180423847
Energy: 1.5227102700981971
Energy: 1.573950065876699
Energy: 1.4598229266906957
Energy: 1.5388751986232942
Energy: 1.494261533284177
Energy: 1.5499309320768913
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Energy: 1.6176737868795974
Energy: 1.6130288300323112
Energy: 1.4851790475181823
Energy: 1.5927769001547325
Energy: 1.8209231671922788
Energy: 1.6331046500133588
Energy: 1.258614441978707
Energy: 1.4510041135707175
Energy: 1.2936083335513222
Energy: 1.2595825721987663
Energy: 1.3970420634560157
Energy: 1.2542688744532333
Energy: 1.5166053867238172
Energy: 1.41395304213035
Energy: 1.4314523037538236
Energy: 1.4748188932743018
Energy: 1.3905595945418268
Energy: 1.4128028754255304
Energy: 1.4958312961697615
Energy: 1.2303675834972534
Energy: 1.2485533644014204
Energy: 1.4561888274462076
Energy: 1.2413433278515535
Energy: 1.4085314726325198
Energy: 1.5876553391925614
Energy: 1.039111333764431
Energy: 1.0856762173859256
Energy: 1.5375826430872848
Energy: 1.0339422549578783
Energy: 1.05749713432814
Energy: 1.5978599163072453
Energy: 1.4205590852327623
Energy: 1.5297778869438103
Energy: 1.6004537171038862
Energy: 1.1836433228621046
Energy: 1.5510805539436012
Energy: 1.5662112913958257
Energy: 1.1578967572311223
Energy: 1.5222900461259035
Energy: 1.4654436559993584
Energy: 1.4266885714942945
Energy: 1.577838359512979
Energy: 1.628727681851909
Energy: 1.6216777712419372
Energy: 1.5189156584990164
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Energy: 1.9686518177333965
Energy: 1.60050659138304
Energy: 1.510318015505004
Energy: 1.4380394392883729
Energy: 1.1552794949581062
Energy: 1.4802854865089072
Energy: 1.2467484761602974
Energy: 1.4071679286228493
Energy: 1.9772949675250941
Energy: 1.5245270453342696
Energy: 1.5265573768498102
Energy: 1.7446991030237529
Energy: 1.437074047825149
Energy: 1.4815473323396537
Energy: 1.8684096643561692
Energy: 1.1088752585863386
Energy: 1.0967440021101271
Energy: 1.6768132537386664
Energy: 1.1116198534871633
Energy: 1.2774671139126714
Energy: 1.5355458089631016
Energy: 1.1386118271462684
Energy: 1.209218097195173
Energy: 1.3771830541316095
Energy: 1.2189453154393886
Energy: 1.2179199340255016
Energy: 1.38783559676016
Energy: 1.494253622215749
Energy: 1.5236571907460064
Energy: 1.389388664380174
Energy: 1.4588092824561978
Energy: 1.501647221334143
Energy: 1.1639543222318105
Energy: 1.2852700383637323
Energy: 1.1713820060440399
Energy: 1.1380447524143587
Energy: 1.2072492403503234
Energy: 1.1757161902103077
Energy: 1.2184028284917368
Energy: 1.6224028869256273
Energy: 1.5454387069325195
Energy: 1.2183111471304084
Energy: 1.7609541531632265
Energy: 1.4975355658970324
Energy: 1.5623450037503341
Energy: 1.513256048361103
Energy: 1.5595592181899762
Energy: 1.5544840956741521
Energy: 1.5294734137466834
Energy: 1.5391526753057252
Energy: 2.022164091139737
Energy: 1.5516807401541624
Energy: 1.526217740654495
Energy: 1.5128982386617205
Energy: 1.545816996875859
Energy: 1.4946218273061718
Energy: 1.7637716167987487
Energy: 1.49181200620517
Energy: 1.4261191418299493
Energy: 1.661615899186357
Energy: 1.491503363607245
Energy: 1.4508569166385081
Energy: 1.549065424212866
Energy: 1.5334033539100953
Energy: 1.4938527445701322
Energy: 1.5496393091018563
Energy: 1.599917042184868
Energy: 1.4693149785872803
Energy: 1.1632501401377
Energy: 1.4927765282632173
Energy: 1.5524559259742252
Energy: 1.1649546860517437
Energy: 1.6303303918332415
Energy: 1.4357851661774605
Energy: 1.0484011315755115
Energy: 1.3547711477218125
Energy: 1.0545159194183065
Energy: 1.051292228579049
Energy: 1.426360493463922
Energy: 1.066162823732809
Energy: 1.266122288997306
Energy: 1.580035840808603
Energy: 1.5877102439829986
Energy: 1.2468514210110377
Energy: 1.6033824599861082
Energy: 1.4867465037128318
Energy: 1.4221092629801182
Energy: 1.3825525328758712
Energy: 1.3502802921307882
Energy: 1.3503799576905129
Energy: 1.320500905748904
Energy: 1.3653746284152528
Energy: 1.9214003539021236
Energy: 1.3015868347454969
Energy: 1.3010932955631005
Energy: 1.7622205401241642
Energy: 1.3230148132350679
Energy: 1.5274822829970418
Energy: 1.7165936830410937
Energy: 1.5373148374882362
Energy: 1.5491915876512352
Energy: 1.650199329878221
Energy: 1.5158499995359707
Energy: 1.5516220680472939
Energy: 1.5518472958865084
Energy: 1.4334875282067785
Energy: 1.4575018551748633
Energy: 1.5171955149749243
Energy: 1.4258677991629165
Energy: 1.5077977575604073
Energy: 1.357432384022269
Energy: 1.636729095547965
Energy: 1.5350216223571738
Energy: 1.3845996963199898
Energy: 1.7839890564889975
Energy: 1.3856285394018324
Energy: 1.366405444924481
Energy: 1.3512399621376903
Energy: 1.336722556117554
Energy: 1.3220207563134991
Energy: 1.3760359867535372
Energy: 1.344473775432847
Energy: 1.4900230308717257
Energy: 1.2687943986872452
Energy: 1.4557319577058274
Energy: 1.4935172673729853
Energy: 1.2862408626649315
Energy: 1.5561719697503558
Energy: 1.6054307089794515
Energy: 1.0417132857815652
Energy: 1.0520347997549344
Energy: 1.6053565281977007
Energy: 1.0346606807575274
Energy: 1.1228631241568052
Energy: 1.6099152922110003
Energy: 1.1546614621955733
Energy: 1.1533326454265174
Energy: 1.6083247310934117
Energy: 1.1718637080211376
Energy: 1.4590587167167381
Energy: 1.7038889111239166
Energy: 1.479662392749101
Energy: 1.5171998389997436
Energy: 1.6629724834220032
Energy: 1.4091818204192403
Energy: 1.513856999469645
Energy: 1.604791582509328
Energy: 1.5252538728232767
Energy: 1.4587428343560878
Energy: 1.597387859154584
Energy: 1.9642562420811276
Energy: 1.3634752742606886
Energy: 1.6862884102540827
Energy: 1.670139830451582
Energy: 1.5201049654020626
Energy: 1.6886730047330676
Energy: 1.771917407949647
Energy: 1.6180218211858048
Energy: 1.6237976842570627
Energy: 1.5964795979328976
Energy: 1.5374994209502535
Energy: 1.4143517952072788
Energy: 1.5198670994317705
Energy: 1.5441135930116456
Energy: 1.7189859446494429
Energy: 1.3228098248347127
Energy: 1.3127023139534681
Energy: 1.7280190733953793
Energy: 1.2341113679475344
Energy: 1.4884419335295922
Energy: 1.4295444581225585
Energy: 1.1120485445593962
Energy: 1.1331190069410353
Energy: 1.381147384768213
Energy: 1.097983029431352
Energy: 1.127975011526912
Energy: 1.434372261561564
Energy: 1.3497884164582425
Energy: 1.405194528998425
Energy: 1.430326549470398
Energy: 1.3492233547787609
Energy: 1.495280971564561
Energy: 1.2762226538216281
Energy: 1.389787373328565
Energy: 1.3687448618896232
Energy: 1.1913659607931102
Energy: 1.398982066514483
Energy: 1.2871818469434209
Energy: 1.1762076005724715
Energy: 1.606249300852155
Energy: 1.3596011224566176
Energy: 1.18179869690248
Energy: 1.613039936589694
Energy: 1.1209553548050373
Energy: 1.6205080309048538
Energy: 1.532692099681385
Energy: 1.4635912915337623
Energy: 1.498618641237571
Energy: 1.6555018754000752
Energy: 1.6361719094577483
Energy: 1.618366355277026
Energy: 1.477550852047355
Energy: 1.3763267408663327
Energy: 1.3840000456789456
Energy: 1.445576858787641
Energy: 1.4944924010093268

minimum gb energy = 1.0339422549578783 eV
minimum distance =  2.50473205467053 Angstroms
sigma value = 81


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

Energy: 2.0841641105647075
Energy: 1.5083997220974896
Energy: 1.176044181550322
Energy: 2.0407883016767943
Energy: 1.4933256215161712
Energy: 1.6118320247897857
Energy: 1.6777780969418152
Energy: 1.137453949349323
Energy: 1.1381318605935213
Energy: 1.2212288124028767
Energy: 1.1399469626187486
Energy: 1.2441598757848666
Energy: 1.5073328025258033
Energy: 1.3927544381168757
Energy: 1.404335401325856
Energy: 1.4471149702458739
Energy: 1.4190776947013597
Energy: 1.5846854749918393
Energy: 1.264132788961512
Energy: 1.213118744171851
Energy: 1.2166719280408427
Energy: 1.1263966705548651
Energy: 1.3661959878622052
Energy: 1.1001819852814827
Energy: 1.1483753538692585
Energy: 1.5473231616814955
Energy: 1.5087818723533
Energy: 1.1345918322872457
Energy: 1.5503811884559575
Energy: 1.1548802377533163
Energy: 1.4998066761835378
Energy: 1.457541560989484
Energy: 1.4676570625296246
Energy: 1.4738510125384845
Energy: 1.4608642347686325
Energy: 1.47756059328398
Energy: 1.2244073675335103
Energy: 1.1170919102870567
Energy: 1.113553653933638
Energy: 1.4338741726482886
Energy: 1.124112089195469
Energy: 1.4177466789693511
Energy: 1.7968691279024591
Energy: 1.7489515970847715
Energy: 1.7298753859665785
Energy: 1.803831989919062
Energy: 1.748017988380818
Energy: 1.2014997345563625
Energy: 1.499095913690427
Energy: 1.206234324248401
Energy: 1.4363285232724226
Energy: 1.4283901548617342
Energy: 1.2061265513668817
Energy: 1.4636893539945448
Energy: 1.4671866412180712
Energy: 1.5061701491310093
Energy: 1.5065466012852196
Energy: 1.43635270504459
Energy: 1.5348813967091526
Energy: 1.3427803271417986
Energy: 1.1777559546280567
Energy: 1.4556166687849261
Energy: 1.1969869268722144
Energy: 1.2002735824995499
Energy: 1.6523827518391299
Energy: 1.1869211235542336
Energy: 1.419823565052283
Energy: 1.3534654728035498
Energy: 1.29322281730995
Energy: 1.3875427352814746
Energy: 1.3845202257881588
Energy: 1.313051911916229
Energy: 1.4194590612332196
Energy: 1.369194114342985
Energy: 1.2671513627333681
Energy: 1.4181072112847903
Energy: 1.351875369564198
Energy: 1.2644893279839116
Energy: 1.615128717186578
Energy: 1.1722001809902705
Energy: 1.1792875338911346
Energy: 1.6131886508267426
Energy: 1.1301147083061336
Energy: 1.177189407299995
Energy: 1.7739756577668662
Energy: 1.4624397456962446
Energy: 1.5215482284267854
Energy: 1.770057675967011
Energy: 1.501901466361963
Energy: 1.4730991941875333
Energy: 1.499920762951292
Energy: 1.4350963182959335
Energy: 1.4379852962812918
Energy: 1.497734002920924
Energy: 1.4519985356994498
Energy: 1.445799913714198
Energy: 1.7130309741653857
Energy: 1.7943858997953477
Energy: 1.46603268274283
Energy: 1.7143723030684677
Energy: 1.805545919826495
Energy: 1.2026129635627256
Energy: 1.3234470153453979
Energy: 1.1301905123903824
Energy: 1.3938833975328109
Energy: 1.286604246306606
Energy: 1.266088574386208
Energy: 1.2289039842678446
Energy: 1.6500294702969287
Energy: 1.3915770823161462
Energy: 1.306722228118175
Energy: 1.6514269304299034
Energy: 1.3747461008402226
Energy: 1.363032148510594
Energy: 1.6433146190064332
Energy: 1.1612904234894554
Energy: 1.1700000021889523
Energy: 1.5906817366009838
Energy: 1.1698631705622642
Energy: 1.1691720716921745
Energy: 1.4577216191642157
Energy: 1.1293656890766137
Energy: 1.129604939262634
Energy: 1.38491712262722
Energy: 1.1839339575221248
Energy: 1.2659399226655605
Energy: 1.448088436621302
Energy: 1.538458520966717
Energy: 1.4817421771318577
Energy: 1.4427180022795392
Energy: 1.4637965324573583
Energy: 1.494818903214824
Energy: 1.1508715560458207
Energy: 1.2830586974268354
Energy: 1.1316890340900556
Energy: 1.1519392613109691
Energy: 1.1968131293813442
Energy: 1.1785528927947888
Energy: 1.2630348369165534
Energy: 1.527188972879548
Energy: 1.5099269666357165
Energy: 1.2520851174925705
Energy: 1.5843951442889337
Energy: 1.1996188164314332
Energy: 1.4808284082247285
Energy: 1.1757885571995101
Energy: 1.4377430425815805
Energy: 1.4784015999815736
Energy: 1.483472881318356
Energy: 1.437507195490819
Energy: 1.7947848541569003
Energy: 1.4492843774295203
Energy: 1.449153046684034
Energy: 1.785855773353019
Energy: 1.4589125192960293
Energy: 1.4818918919626403
Energy: 1.8288699422652743
Energy: 1.5449371361088682
Energy: 1.5538363734994562
Energy: 1.6263657708740016
Energy: 1.733265004634673
Energy: 1.552736212416233
Energy: 1.4081700595341395
Energy: 1.4480577402542971
Energy: 1.4917964149227567
Energy: 1.3900884630491173
Energy: 1.6104499545586894
Energy: 1.4493636644528443
Energy: 1.2021418474965557
Energy: 1.5068585095626665
Energy: 1.5068421426537972
Energy: 1.2176455865211302
Energy: 1.5101800449508214
Energy: 1.1527676912003024
Energy: 1.1980597477124455
Energy: 1.3077213790551585
Energy: 1.1676724303893402
Energy: 1.1639927407053534
Energy: 1.2057404997391712
Energy: 1.1483224679628528
Energy: 1.4514840802666893
Energy: 1.429376307197183
Energy: 1.546344146025502
Energy: 1.4544019540775417
Energy: 1.4529122773708145
Energy: 1.4104052908782079
Energy: 1.232246352569489
Energy: 1.1082020673073276
Energy: 1.1028778550991496
Energy: 1.1705396472723255
Energy: 1.110513500752254
Energy: 1.0904839214542
Energy: 1.8508202238239722
Energy: 1.1807285139958685
Energy: 1.1770263014884181
Energy: 1.5318741370010283
Energy: 1.182639495691314
Energy: 1.4777308716010902
Energy: 1.507141201301814
Energy: 1.419218763529852
Energy: 1.5376985997323471
Energy: 1.5019732717023706
Energy: 1.4724778748942606
Energy: 1.4382376098742664
Energy: 1.11929396970322
Energy: 1.2941622813038143
Energy: 1.3491508574530908
Energy: 1.113039514262028
Energy: 1.5956494309288203
Energy: 1.1188056581389765
Energy: 1.6233410571312044
Energy: 1.544024225757467
Energy: 1.2479984702331248
Energy: 1.5436600721753846
Energy: 1.7856366170883886
Energy: 1.5871282117290244
Energy: 1.6771216036741248
Energy: 1.4073218494343258
Energy: 1.4069047992443924
Energy: 1.5967381161147933
Energy: 1.3566236397906153
Energy: 1.5029512862978016
Energy: 2.083465400384933
Energy: 1.2044249742880324
Energy: 1.1735867647696154
Energy: 2.041877175701555
Energy: 1.2516060304092167
Energy: 1.5661713868877156

minimum gb energy = 1.0904839214542 eV
minimum distance =  2.53206384826982 Angstroms
sigma value = 43


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

Energy: 2.069054732578868
Energy: 1.5894198788998055
Energy: 1.3225816953430303
Energy: 2.070680565188836
Energy: 1.7832692253139266
Energy: 1.2171781936239958
Energy: 1.5896337497169715
Energy: 1.12806996308811
Energy: 1.128591225464014
Energy: 1.416108913327008
Energy: 1.4383020812871605
Energy: 1.2446147285974607
Energy: 1.4860344891621062
Energy: 1.4867443734679158
Energy: 1.4407235677019212
Energy: 1.396867311953489
Energy: 1.5348173792708655
Energy: 1.4724588399474794
Energy: 0.9981353851161124
Energy: 1.468426418299345
Energy: 1.0878650192933081
Energy: 0.9994306172043232
Energy: 1.4528104315838857
Energy: 0.9969529871760748
Energy: 1.05258927892852
Energy: 1.3223103276594308
Energy: 1.241251131336855
Energy: 1.0582650528592197
Energy: 1.3215547643961434
Energy: 1.105913197717027
Energy: 1.4601040913035075
Energy: 1.2877032254210545
Energy: 1.15646186921471
Energy: 1.4240264830163565
Energy: 1.299293281197282
Energy: 1.3154753352168826
Energy: 1.453772557076364
Energy: 0.9974076813103623
Energy: 0.9976205589324006
Energy: 1.3611990095144326
Energy: 1.006120622972804
Energy: 0.99811365386819
Energy: 1.7250775859897005
Energy: 1.0776948864998281
Energy: 1.4624507884413556
Energy: 1.7277778486907127
Energy: 1.0782800885885149
Energy: 1.4860538474611202
Energy: 1.4335442697610385
Energy: 1.2392639197713666
Energy: 1.33226397887626
Energy: 1.435402461911023
Energy: 1.4730683601303278
Energy: 1.5023133529208155
Energy: 1.5471738347381512
Energy: 1.6137812807905583
Energy: 1.5325256657363344
Energy: 1.545129837927034
Energy: 1.613797154111596
Energy: 1.3322956979872407
Energy: 1.37180446283216
Energy: 1.4069164571755695
Energy: 1.610679670338927
Energy: 1.377028458854637
Energy: 1.5648485322688372
Energy: 1.3142600881656097
Energy: 1.478730479563274
Energy: 1.408848199098285
Energy: 1.5030553253653867
Energy: 1.6096060996833075
Energy: 1.4503332911441966
Energy: 1.503284771163586
Energy: 1.915997669666323
Energy: 1.1150264863845223
Energy: 1.091731815248712
Energy: 1.54348831862142
Energy: 1.1153182836209632
Energy: 1.439718070655949
Energy: 1.5940915565668836
Energy: 1.1911013784915605
Energy: 1.2160510614032531
Energy: 1.23142676673077
Energy: 1.1503462741236654
Energy: 1.2478540651105512
Energy: 1.2496186756429144
Energy: 1.4832474425399997
Energy: 1.5045124675993427
Energy: 1.2497486247059533
Energy: 1.445686901959284
Energy: 1.498485625165647
Energy: 0.9587384573166857
Energy: 1.309889100888037
Energy: 1.055322716439912
Energy: 0.9611326536642806
Energy: 1.3890686310407625
Energy: 0.9572228641120378
Energy: 1.135198415559151
Energy: 1.3886440298221099
Energy: 1.388202322575267
Energy: 1.1352573149365968
Energy: 1.461626314809209
Energy: 1.3569063769232168
Energy: 1.4841408885627514
Energy: 1.4080590968448714
Energy: 1.382583402229172
Energy: 1.3731837074550777
Energy: 1.3465940298428796
Energy: 1.3843585895806547
Energy: 1.7259923697703579
Energy: 1.3402429427904023
Energy: 1.3324005589223007
Energy: 1.6013263457638975
Energy: 1.336468373620734
Energy: 1.2602566862521385
Energy: 1.6497456135089756
Energy: 1.4526735497728456
Energy: 1.5598139430338822
Energy: 1.597565748714688
Energy: 1.4774247746666187
Energy: 1.4452448225173533
Energy: 1.4262502969133646
Energy: 1.2625684618435808
Energy: 1.4030920403724931
Energy: 1.4282511857350837
Energy: 1.4165624258411451
Energy: 1.1683515013487946
Energy: 1.3548131375892762
Energy: 1.5319256411211346
Energy: 1.4710526448468402
Energy: 1.354486741687956
Energy: 1.882091026415793
Energy: 1.2125422307254816
Energy: 1.2217966993936589
Energy: 1.1960674579721597
Energy: 1.1701126050312904
Energy: 1.2183659312577177
Energy: 1.322747739667162
Energy: 1.410596500174774
Energy: 1.5900993123518243
Energy: 1.4006518739907736
Energy: 1.4620289871807162
Energy: 1.4636215320174535
Energy: 1.3921757235444874
Energy: 1.4272506173957904
Energy: 1.3622573269655809
Energy: 0.9573309356300648
Energy: 0.9639083578701182
Energy: 1.345105895796004
Energy: 0.9573960108684594
Energy: 1.0052494763123156
Energy: 1.5625322429791098
Energy: 1.0208915437523092
Energy: 1.0947380482608062
Energy: 1.3857811869804912
Energy: 1.0204571246570404
Energy: 1.2099709460189345
Energy: 1.3915107535260127
Energy: 1.2783022602722882
Energy: 1.3787371723283366
Energy: 1.3659450723269226
Energy: 1.32833792796237
Energy: 1.359196404623874
Energy: 1.108944369005972
Energy: 1.3173917646729243
Energy: 1.2030987361254308
Energy: 1.1103454679438052
Energy: 1.2178050847009956
Energy: 1.104996582163278
Energy: 1.4285662947396691
Energy: 1.5278707487157521
Energy: 1.405893303441588
Energy: 1.430264485780448
Energy: 1.7518844782913616
Energy: 1.4210607405829092
Energy: 1.3981931746373197
Energy: 1.1288226623945377
Energy: 1.352029739127133
Energy: 1.3731316101290072
Energy: 1.177433832169221
Energy: 1.4179777453181475
Energy: 2.072357403133825
Energy: 1.6507450827672405
Energy: 1.4321673336921583
Energy: 1.551885977674451
Energy: 1.6038737140604442
Energy: 1.5871535055645407

minimum gb energy = 0.9572228641120378 eV
minimum distance =  2.54266567198399 Angstroms
sigma value = 57


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

Energy: 1.5888665769834565
Energy: 1.5726055649737174
Energy: 1.0864277701058762
Energy: 1.5914072023219856
Energy: 1.5747467429103807
Energy: 1.673823133581635
Energy: 1.495764513419408
Energy: 1.094650338067353
Energy: 1.169891506153545
Energy: 1.318427965825081
Energy: 1.0945672496424779
Energy: 1.1650673720235936
Energy: 1.3607271679754338
Energy: 1.3015143234284776
Energy: 1.3083427950660127
Energy: 1.361076518725178
Energy: 1.3989501584596082
Energy: 1.397835923080135
Energy: 0.997177222324198
Energy: 1.3221839864060692
Energy: 1.3087553060997217
Energy: 0.9986960741778178
Energy: 1.3567261282267988
Energy: 0.9957817818422363
Energy: 1.1186685509289194
Energy: 1.3078117954515498
Energy: 1.2999711883448943
Energy: 1.1185713759960136
Energy: 1.2746095576144554
Energy: 1.0928013773685135
Energy: 1.4138908001105188
Energy: 1.223925566882331
Energy: 1.2240613356949392
Energy: 1.348186755288876
Energy: 1.0204200646889392
Energy: 1.2234456882211129
Energy: 1.4075011256093546
Energy: 1.0164770172167317
Energy: 1.0178266303727008
Energy: 1.4088823920776108
Energy: 1.0209067979349415
Energy: 1.0174818123783953
Energy: 1.5888748946552458
Energy: 1.4342611264345182
Energy: 1.4438250148875045
Energy: 1.4237570926028937
Energy: 1.3253223745298643
Energy: 1.3643638124916526
Energy: 1.412519996296714
Energy: 1.165364716387204
Energy: 1.1659177947910688
Energy: 1.4076508551672025
Energy: 1.301555402085606
Energy: 1.3423305781425454
Energy: 1.3528851562508148
Energy: 1.4484748762187059
Energy: 1.4509839812187786
Energy: 1.3528629282751363
Energy: 1.4485308782195447
Energy: 1.3734821065410157
Energy: 1.3471539093903382
Energy: 1.1807682205907457
Energy: 1.3362592772770567
Energy: 1.224447830323191
Energy: 1.3188798785211293
Energy: 1.2818818376243992
Energy: 1.4784200033434673
Energy: 1.334254307153525
Energy: 1.3467089396110727
Energy: 1.4804339973600813
Energy: 1.2614115210581032
Energy: 1.2757879114190436
Energy: 1.4837335497846382
Energy: 1.1623102829241294
Energy: 1.270797853907058
Energy: 1.616837066688932
Energy: 1.155527826526888
Energy: 1.2708211372171527
Energy: 1.5278654719981388
Energy: 1.0934095880556678
Energy: 1.1656585574988454
Energy: 1.2959032243340696
Energy: 1.0953331312553238
Energy: 1.207596890783863
Energy: 1.285643030052287
Energy: 1.3610592533857957
Energy: 1.3591955497071
Energy: 1.3834463445197132
Energy: 1.5955741777520993
Energy: 1.401437083477936
Energy: 1.0161659782834824
Energy: 1.2153405759715195
Energy: 1.048463505203298
Energy: 1.018165840976702
Energy: 1.1843299741289273
Energy: 1.012180457485857
Energy: 1.2907214043876531
Energy: 1.3059847107145548
Energy: 1.3058665222439811
Energy: 1.2610362413649352
Energy: 1.4998590830149758
Energy: 1.299201924034132
Energy: 1.2985057052900189
Energy: 1.0178353576690302
Energy: 1.2579151203867225
Energy: 1.2868942414270632
Energy: 1.081643049975709
Energy: 1.2266031224928917
Energy: 1.4160618462265473
Energy: 0.9954441335246665
Energy: 0.9994890944147521
Energy: 1.4072518630491244
Energy: 0.9996229664068352
Energy: 1.1383263176095781
Energy: 1.4083272574413683
Energy: 1.3464104645099069
Energy: 1.3639352198238792
Energy: 1.4076116063704422
Energy: 1.400403407662965
Energy: 1.3647795795919038
Energy: 1.2183746262915547
Energy: 1.1668651128021945
Energy: 1.166065896360871
Energy: 1.0942406507290756
Energy: 1.2683341953527605
Energy: 1.0964668866782423
Energy: 1.5436422724997592
Energy: 1.4536745881268462
Energy: 1.4539797279474929
Energy: 1.5454081688922028
Energy: 1.8814897087470581
Energy: 1.2724822966173113
Energy: 1.3476560718615649
Energy: 1.0931026894609561
Energy: 1.1655868101497695
Energy: 1.4487012472817764
Energy: 1.2975066448013846
Energy: 1.0926394723839132
Energy: 1.484119978379583
Energy: 1.4021366465236325
Energy: 1.3126483656510253
Energy: 1.5453414211576715
Energy: 1.3365213744004005
Energy: 1.4548952237854809

minimum gb energy = 0.9954441335246665 eV
minimum distance =  2.54274193724847 Angstroms
sigma value = 17


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

Energy: 1.8190853531401987
Energy: 1.580066525722099
Energy: 1.2716491190371895
Energy: 1.8217175983651732
Energy: 1.5908132621700644
Energy: 1.286879021672476
Energy: 1.416343654970408
Energy: 1.2905003741280998
Energy: 1.30214194461497
Energy: 1.276274177174951
Energy: 1.229346511299848
Energy: 1.2532334331887234
Energy: 1.3881011029738959
Energy: 1.2645961451206558
Energy: 1.264245765289943
Energy: 1.3902608311311595
Energy: 1.2664734431325604
Energy: 1.2641045011862075
Energy: 1.103168839126188
Energy: 1.2647413929721618
Energy: 1.2644988380041544
Energy: 1.1036631803301664
Energy: 1.3722883914290114
Energy: 1.1619421348691998
Energy: 1.1380568732501422
Energy: 1.2663765161300486
Energy: 1.2365845359354666
Energy: 1.1384881703777732
Energy: 1.1295925264385813
Energy: 1.2297665296233007
Energy: 1.5713490749542591
Energy: 0.9487204799217611
Energy: 1.0761986979912859
Energy: 1.573418809372158
Energy: 0.9632085939605574
Energy: 1.2398698508250994
Energy: 1.3661968931583341
Energy: 0.9443995415920404
Energy: 0.9443944983044774
Energy: 1.2661887769079085
Energy: 0.9505365758725718
Energy: 1.0582987727107518
Energy: 1.4964449701505558
Energy: 1.33512524000137
Energy: 1.300920130460167
Energy: 1.4988882689868592
Energy: 1.3360483862826935
Energy: 1.1976521597019805
Energy: 0.9483552920766293
Energy: 1.2694450309967928
Energy: 1.2012162550757446
Energy: 0.9504428498272998
Energy: 1.266530623052386
Energy: 0.9459384606018139
Energy: 0.9628460260241257
Energy: 1.2477932918108472
Energy: 1.247961391772197
Energy: 0.9629184781092675
Energy: 1.2484095254868914
Energy: 1.2161461056347023
Energy: 1.5779319070362943
Energy: 1.2904454965847465
Energy: 1.2220805777482382
Energy: 1.314663750681277
Energy: 1.227718952428204
Energy: 1.222766072575684
Energy: 1.3956406909413352
Energy: 1.0993850936004297
Energy: 1.0992933266175076
Energy: 1.3967048894875402
Energy: 1.1065719150649704
Energy: 1.1001069490791144
Energy: 1.4451677574203508
Energy: 1.3621116220891498
Energy: 1.3591166979379417
Energy: 1.4475020908002587
Energy: 1.4261304847448075
Energy: 1.4104612826113043
Energy: 1.359486893384406
Energy: 1.266337925805144
Energy: 1.2309406851764408
Energy: 1.3593865578769273
Energy: 1.3569357623379796
Energy: 1.310309082033489
Energy: 1.4774304212744982
Energy: 1.3710445521229435
Energy: 1.4194852619671707
Energy: 1.4783860845801602
Energy: 1.3717696694020642
Energy: 1.3558704537840776
Energy: 1.3722766831305604
Energy: 1.318591550382748
Energy: 1.2674485845832866
Energy: 1.371634238406002
Energy: 1.5409035447370802
Energy: 1.2295900462229237
Energy: 1.364829024911012
Energy: 1.4157115643884177
Energy: 1.354424787414271
Energy: 1.3649484877212124
Energy: 1.4158581092679476
Energy: 1.3429477384245962

minimum gb energy = 0.9443944983044774 eV
minimum distance =  2.54908316841286 Angstroms
sigma value = 17


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

Energy: 1.9546935767189813
Energy: 1.5112931582854126
Energy: 1.2196013577880394
Energy: 1.958239544457968
Energy: 1.5101913083083753
Energy: 1.2241757678756104
Energy: 1.5562105051434643
Energy: 1.257809323945881
Energy: 1.2078586459522156
Energy: 1.3818272559620426
Energy: 1.3168863472455956
Energy: 1.3092658452183927
Energy: 1.3388383343960053
Energy: 1.190484948318048
Energy: 1.1860130217256093
Energy: 1.3390022711671972
Energy: 1.117278718086538
Energy: 1.197809965226116
Energy: 1.1002048242190072
Energy: 1.1866243415691073
Energy: 1.1857405308034654
Energy: 1.1019507881110835
Energy: 1.1436125440574405
Energy: 1.1217828886002021
Energy: 1.1941591473817352
Energy: 1.1549961523200336
Energy: 1.1563142438066203
Energy: 1.1960735576426906
Energy: 1.3951137537447909
Energy: 1.1607899348722284
Energy: 1.7160255552991264
Energy: 0.9695698252500624
Energy: 1.0865549054027528
Energy: 1.4467856023370078
Energy: 0.9692890376869969
Energy: 1.1402168919718325
Energy: 1.311949487907824
Energy: 0.9425176568570062
Energy: 0.9334154455227374
Energy: 1.3138809853738653
Energy: 0.936491356897953
Energy: 1.0283161052973635
Energy: 1.3811414635415618
Energy: 1.1607301155327274
Energy: 1.1863348503689908
Energy: 1.38114862899743
Energy: 1.2081056878851009
Energy: 1.1839060667668186
Energy: 0.8897198767484983
Energy: 1.1599337100776494
Energy: 1.0261111562884662
Energy: 0.8913517964717931
Energy: 1.1398523882908869
Energy: 0.9020270534978072
Energy: 0.9225302901137241
Energy: 1.1159929050489041
Energy: 1.1130759976099165
Energy: 0.9361986948664922
Energy: 1.1438615061896646
Energy: 1.0879124036066035
Energy: 1.3159174295180072
Energy: 0.9357743354970112
Energy: 1.085818771859488
Energy: 1.1427768632095956
Energy: 0.9362713293615966
Energy: 1.0864601811422168
Energy: 1.1344908847519526
Energy: 0.9143472858224909
Energy: 0.9022138932222504
Energy: 1.1367296579739152
Energy: 0.9079681286562107
Energy: 1.018473708320825
Energy: 1.2723786956196246
Energy: 1.2887315536263508
Energy: 1.134056517963987
Energy: 1.1866604902878144
Energy: 1.3543714398660551
Energy: 1.146162726240204
Energy: 0.9334414575867209
Energy: 1.1801856732399556
Energy: 1.1611821298988563
Energy: 0.9335211238996804
Energy: 1.2245925993826574
Energy: 0.9334492458189687
Energy: 0.9701477016252079
Energy: 1.1472216173949858
Energy: 1.1480095649853328
Energy: 0.9697620718398329
Energy: 1.146538719413857
Energy: 1.171737515208546
Energy: 1.3764648549204628
Energy: 1.1599409066691073
Energy: 1.1524502846998181
Energy: 1.3349004208771036
Energy: 1.0999475573967574
Energy: 1.1475729603511329
Energy: 1.2124396560342767
Energy: 1.0973960431545142
Energy: 1.0980106566747347
Energy: 1.244330647377448
Energy: 1.106597716680513
Energy: 1.0980404233651853
Energy: 1.201755633591801
Energy: 1.2902659575780457
Energy: 1.2667916502016026
Energy: 1.1061451840741008
Energy: 1.3403928980379112
Energy: 1.2141661574459317
Energy: 1.3639173579116002
Energy: 1.2011354280061821
Energy: 1.409699306560922
Energy: 1.364289482682335
Energy: 1.4790855959590397
Energy: 1.3220880050204007
Energy: 1.476654109831996
Energy: 1.1901500721684564
Energy: 1.1915040566385773
Energy: 1.4765992374735568
Energy: 1.4706816174862258
Energy: 1.2617603740230272
Energy: 1.4147106726363385
Energy: 1.3324981004514531
Energy: 1.1875162844606557
Energy: 1.4144664222193593
Energy: 1.5167041641573817
Energy: 1.2691349922333621
Energy: 1.25419319209339
Energy: 1.351381716951108
Energy: 1.283079077517087
Energy: 1.231831422987097
Energy: 1.3422043890501152
Energy: 1.1970813513516694
Energy: 1.2243412371088735
Energy: 1.25673688952053
Energy: 1.2528215409376737
Energy: 1.2266085624160872
Energy: 1.2529720409392686
Energy: 1.2808092136856712
Energy: 1.3479382633844035
Energy: 1.4131818312421953
Energy: 1.2707874002604669
Energy: 1.3494712956579482
Energy: 1.2748721532546479
Energy: 1.2767970963654571
Energy: 1.098455542073008
Energy: 1.1934565954973482
Energy: 1.186373583397179
Energy: 1.0987862517767673
Energy: 1.4584358537862605
Energy: 1.1983645818029007
Energy: 1.1754087046445123
Energy: 1.196634645400698
Energy: 1.1810034237127607
Energy: 1.131838551139221
Energy: 1.1243988442734596
Energy: 1.1624709769823727
Energy: 1.4249997244269639
Energy: 1.3108575407586522
Energy: 1.2426170390790054
Energy: 1.4467800105427118
Energy: 1.3107060382039706
Energy: 1.1397859596100748
Energy: 1.2292171805506877
Energy: 0.9420499219538071
Energy: 0.9470347353631066
Energy: 1.2300715250682124
Energy: 0.9362808008796885
Energy: 0.9460359668639268
Energy: 1.4393690269584851
Energy: 1.111290647763862
Energy: 1.117906771893574
Energy: 1.396072146130934
Energy: 0.9809998424037166
Energy: 1.1378364322154872
Energy: 0.9359671640266394
Energy: 1.1609194456502536
Energy: 1.1397431462991017
Energy: 0.937306930179091
Energy: 1.20740770312753
Energy: 1.0876786986865608
Energy: 0.9084427301093775
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Energy: 1.1457210829822533
Energy: 0.9101271165580875
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Energy: 1.0265631527055872
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Energy: 1.18736550159106
Energy: 1.1849682476003407
Energy: 1.4589896930131216
Energy: 1.192155427612052
Energy: 1.17996571424603
Energy: 1.2907843901891671
Energy: 0.896427364146186
Energy: 0.888493574266634
Energy: 1.2182240438132308
Energy: 0.8898382297866254
Energy: 0.8884623138395487
Energy: 1.6200052578060382
Energy: 1.0130029303788715
Energy: 1.1076165629446866
Energy: 1.6226535342369341
Energy: 1.011942957011696
Energy: 1.134029329463636
Energy: 0.9842429192245875
Energy: 1.1964038489459297
Energy: 1.1413445137851994
Energy: 0.985948217421783
Energy: 1.2237449886517069
Energy: 1.157776360798162
Energy: 0.9722729546791002
Energy: 1.163889067001662
Energy: 1.1711963741115767
Energy: 0.9740141375314493
Energy: 1.1635565398035432
Energy: 0.9627937939460148
Energy: 1.3297304490068513
Energy: 1.1509755391315837
Energy: 1.1424480052990187
Energy: 1.3303325191391326
Energy: 1.189325149692336
Energy: 1.160690712157167
Energy: 1.3903111786922766
Energy: 1.0899020339428829
Energy: 1.081935103480184
Energy: 1.1885989503379109
Energy: 1.0839518989807337
Energy: 1.0818762410269054
Energy: 1.4326774276067007
Energy: 1.3450390800183318
Energy: 1.2374659382156612
Energy: 1.4707203916217237
Energy: 1.340395264054843
Energy: 1.1705753054530008
Energy: 1.3795171495138585
Energy: 1.1796365500380483
Energy: 1.1737134635042994
Energy: 1.3668129677475815
Energy: 1.1877615045389125
Energy: 1.2920964907028856
Energy: 1.3997685085411053
Energy: 1.2313177436965876
Energy: 1.2956316650341122
Energy: 1.4014241568726995
Energy: 1.2598972673005253
Energy: 1.2908066815273744
Energy: 1.417970112814717
Energy: 1.3169441154762458
Energy: 1.18666283388284
Energy: 1.4172681382734666
Energy: 1.3681784937385788
Energy: 1.3639567902128076
Energy: 1.2739395100312578
Energy: 1.344266643440775
Energy: 1.3440126186170396
Energy: 1.2741371188192538
Energy: 1.3532928701401956
Energy: 1.280919409044951

minimum gb energy = 0.8884623138395487 eV
minimum distance =  2.54223340803425 Angstroms
sigma value = 57


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

Energy: 1.8022839345978088
Energy: 1.4489304903276776
Energy: 1.156309274934227
Energy: 1.80492435713622
Energy: 1.444434001563431
Energy: 1.1596822867484673
Energy: 1.3985943789765116
Energy: 1.19764253631245
Energy: 1.152532372455685
Energy: 1.3104830150648876
Energy: 1.186341890936405
Energy: 1.178623096913592
Energy: 1.2613292984457485
Energy: 1.129069280357192
Energy: 1.1128230027231019
Energy: 1.2641070410702986
Energy: 1.081300314082777
Energy: 1.1321929823217585
Energy: 1.0615709302911842
Energy: 1.1309684804009759
Energy: 1.1197902769605745
Energy: 1.1346563843306106
Energy: 1.1586974482481993
Energy: 1.071100992170409
Energy: 1.2032717397848154
Energy: 1.1047537485079142
Energy: 1.0961873859090756
Energy: 1.2036485913246289
Energy: 1.2409589194865835
Energy: 1.1021471513841192
Energy: 1.329189331093688
Energy: 0.9360792499129074
Energy: 1.0248987156180016
Energy: 1.36729372657716
Energy: 0.9558017739403754
Energy: 1.0757327760879039
Energy: 1.2290639450643805
Energy: 0.9179022536587512
Energy: 0.922894808526956
Energy: 1.2120319795070997
Energy: 0.9159108929545953
Energy: 1.0636065155752652
Energy: 1.2684028869081858
Energy: 1.083522005717511
Energy: 1.1036005236010207
Energy: 1.2709543825619822
Energy: 1.089550152547029
Energy: 1.11341714318046
Energy: 0.8581343647552536
Energy: 1.0727178114571037
Energy: 0.8722957385508563
Energy: 0.858542068205347
Energy: 1.1906372689990603
Energy: 0.8724537145812026
Energy: 0.9089206004098203
Energy: 1.0427796213006926
Energy: 1.0405811739248112
Energy: 0.9092201821976388
Energy: 1.0777339931613317
Energy: 1.025347198671634
Energy: 1.2621679124480012
Energy: 0.8585633217284592
Energy: 1.0050370071383543
Energy: 1.1104183994503731
Energy: 0.8739401330160218
Energy: 1.0486658963594961
Energy: 1.055379867434253
Energy: 0.8473561714048204
Energy: 0.8545190822067761
Energy: 1.0560830409082351
Energy: 0.8326216967335738
Energy: 1.0403838184498433
Energy: 1.341921310249832
Energy: 1.0826914819397855
Energy: 1.0762151711712384
Energy: 1.147073350480331
Energy: 1.2174055971893765
Energy: 1.1172217787337975
Energy: 0.8280304347674258
Energy: 1.0792376659405538
Energy: 0.8264025320233893
Energy: 0.8303799973327577
Energy: 1.166981464519431
Energy: 0.8446266110571159
Energy: 0.858029682664725
Energy: 1.0578679844151193
Energy: 1.0536203514164109
Energy: 0.8586035601549061
Energy: 1.0414674939961062
Energy: 1.0311565419918285
Energy: 1.2094799853839584
Energy: 0.8869971075029184
Energy: 1.0223939792085857
Energy: 1.1105096893983015
Energy: 0.9179543167232675
Energy: 1.020739180705508
Energy: 1.2038700797611883
Energy: 0.8853119643172944
Energy: 0.8918561442966162
Energy: 1.108594964536151
Energy: 0.8799960757158083
Energy: 0.9713858384824445
Energy: 1.0770679158043286
Energy: 1.0610431037333012
Energy: 1.0641364804387692
Energy: 1.2282330740037832
Energy: 1.2906472408968437
Energy: 1.111524897561565
Energy: 0.9098468089339405
Energy: 1.1344361135313985
Energy: 0.9088194464926612
Energy: 0.9126686557022704
Energy: 1.22500263445459
Energy: 0.9212800090624336
Energy: 1.2160310178139435
Energy: 1.0808042319514595
Energy: 1.0787894507926536
Energy: 1.211661694854701
Energy: 1.3691933628853714
Energy: 1.1094231570140236
Energy: 1.296934438874176
Energy: 1.058606333365553
Energy: 1.1637008295428266
Energy: 1.358920294678335
Energy: 1.0681791885083414
Energy: 1.0812998828568305
Energy: 1.415957418582283
Energy: 1.0722698619165068
Energy: 0.9388496282922049
Energy: 1.0905213788085744
Energy: 1.0684379342102754
Energy: 1.1082981049579914
Energy: 1.1880854696961864
Energy: 1.2165360198456507
Energy: 1.200433583133091
Energy: 1.281230325775648
Energy: 1.2640125998101517
Energy: 1.1997202692938247
Energy: 1.288213557376263
Energy: 1.283759649526248
Energy: 1.290852385326632
Energy: 1.290324365792027
Energy: 1.3628059304917137
Energy: 1.2567693034921144
Energy: 1.3812019259659272
Energy: 1.1061683580613764
Energy: 1.1050599164147095
Energy: 1.381150915819745
Energy: 1.1086446576456006
Energy: 1.1258824887650933
Energy: 1.3851861397297167
Energy: 1.1578859230722776
Energy: 1.1462972099470834
Energy: 1.33237967335651
Energy: 1.3345860076191949
Energy: 1.2388601056679958
Energy: 1.473377278621992
Energy: 1.275743063348424
Energy: 1.051860521288349
Energy: 1.5201659557946758
Energy: 1.3394813879827914
Energy: 1.1203107416644529

minimum gb energy = 0.8264025320233893 eV
minimum distance =  2.54885260731068 Angstroms
sigma value = 43


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

Energy: 1.7210940829658852
Energy: 1.1537715011942689
Energy: 1.0244701453874012
Energy: 1.7229434723143218
Energy: 1.1519790854079426
Energy: 0.9730845147567805
Energy: 1.1776243324956088
Energy: 1.0384890125179815
Energy: 1.0241366974958912
Energy: 1.1067565581306162
Energy: 1.0382758751541548
Energy: 1.016195683348346
Energy: 1.0962626490464482
Energy: 0.9371722136982917
Energy: 0.9565044096326044
Energy: 1.0955349799598633
Energy: 0.9328856697940362
Energy: 0.9464322174301331
Energy: 0.9987746128132773
Energy: 0.9558911013353337
Energy: 0.9596705085120277
Energy: 0.9996282481929492
Energy: 1.0083032697287346
Energy: 0.8714247355812265
Energy: 1.0473445364984149
Energy: 0.9037597539073108
Energy: 0.951757950217706
Energy: 1.0101528636850707
Energy: 1.0764136539716658
Energy: 0.9666125977519736
Energy: 1.252098610318097
Energy: 0.8409528827396199
Energy: 0.8086142475203021
Energy: 1.262892522088196
Energy: 0.8406526517751568
Energy: 0.9498683107928354
Energy: 1.1232300703178697
Energy: 0.8236227509395759
Energy: 0.8945000353024795
Energy: 1.050183451433248
Energy: 0.8292586502340606
Energy: 1.0197650254054773
Energy: 1.096822731221014
Energy: 0.9047280290044648
Energy: 0.9165791903665005
Energy: 1.0842724965398636
Energy: 0.9045792632662375
Energy: 0.9101380332456703
Energy: 0.7734799695322884
Energy: 0.9042541228678205
Energy: 0.782214897134888
Energy: 0.7752908924868543
Energy: 1.0224411295780973
Energy: 0.7825556911322499
Energy: 0.7967214567339636
Energy: 0.9196282143142454
Energy: 0.9008773667693782
Energy: 0.7822117758052191
Energy: 0.9378774283867991
Energy: 0.9019347502587172
Energy: 1.15540259628194
Energy: 0.7541231713214125
Energy: 0.8770606681418873
Energy: 1.2040396394342583
Energy: 0.7539570996950573
Energy: 0.8955697581992103
Energy: 1.023844214082247
Energy: 0.7343088571116326
Energy: 0.7342285926496546
Energy: 0.9979801938856275
Energy: 0.7343931973128087
Energy: 0.8972328750428352
Energy: 1.1504132560045817
Energy: 0.884126450994801
Energy: 0.911756826178724
Energy: 0.9848717862968575
Energy: 0.8847327240455553
Energy: 0.9178779786651117
Energy: 0.712800552164666
Energy: 1.0221609559997427
Energy: 0.7248321630257636
Energy: 0.7149197683397804
Energy: 0.9926359735267862
Energy: 0.7123818604897564
Energy: 0.7294520531030192
Energy: 0.8867691027486407
Energy: 0.8791396408204152
Energy: 0.7347689941137096
Energy: 0.8877877928551134
Energy: 0.9054735436715052
Energy: 0.9793582016181117
Energy: 0.7232017651220974
Energy: 0.7192135182010849
Energy: 0.9400546816948597
Energy: 0.7230323794912226
Energy: 0.8719739448456224
Energy: 0.8515650600176942
Energy: 0.7150584858187189
Energy: 0.714994414484406
Energy: 0.8528846306173963
Energy: 0.7150699850034264
Energy: 0.8687821295516025
Energy: 0.9903941800699574
Energy: 0.9385850745654376
Energy: 0.9316972159811391
Energy: 0.9927938638726377
Energy: 1.3242348659515386
Energy: 0.9490073177371765
Energy: 0.7022418817359899
Energy: 0.9786127855980066
Energy: 0.7020796338866864
Energy: 0.7038281958787063
Energy: 0.9833221203535285
Energy: 0.7021675367397809
Energy: 1.0663123946623947
Energy: 0.9365372369638338
Energy: 0.9421704885602739
Energy: 1.0137838304755982
Energy: 1.425207600029901
Energy: 0.9587541590978129
Energy: 0.8776645408172078
Energy: 0.7187056822600919
Energy: 0.7263830892149177
Energy: 0.8798638282523691
Energy: 0.7263369869080274
Energy: 0.8766266917275889
Energy: 0.8367887532136353
Energy: 0.7329582725963185
Energy: 0.7247271978793941
Energy: 1.0299040596780678
Energy: 0.7330513979682324
Energy: 0.8888166151933489
Energy: 0.7546809222761737
Energy: 0.907607917089627
Energy: 0.8760567516849448
Energy: 0.7452999389363822
Energy: 0.9066263243565681
Energy: 0.9143728037334096
Energy: 0.7349321920865568
Energy: 1.0386823482610295
Energy: 0.7467681427595158
Energy: 0.7370428719420766
Energy: 1.0055932355175827
Energy: 0.7406757902613753
Energy: 1.1052942350493162
Energy: 0.8898419048376964
Energy: 0.9019104738100786
Energy: 1.0331643468161555
Energy: 0.8902470042706649
Energy: 0.9017976149091568
Energy: 1.1215583839434198
Energy: 0.7702683429147773
Energy: 0.7700560251804331
Energy: 1.008168938682559
Energy: 0.7701503876182121
Energy: 0.927347609566012
Energy: 1.2522404455199176
Energy: 0.7887451347299296
Energy: 0.8481268714128565
Energy: 1.2633158117615602
Energy: 0.7887065079500292
Energy: 0.9082412883280493
Energy: 0.9737420185765687
Energy: 0.9282137459888037
Energy: 0.9318849713827119
Energy: 0.9647150200171624
Energy: 1.003411870992239
Energy: 0.9120550720336325
Energy: 0.8347862703378546
Energy: 0.9211761133682378
Energy: 0.8380952634135879
Energy: 0.8364433787931976
Energy: 1.0740176095925609
Energy: 0.8383424777123819
Energy: 1.0743985513449683
Energy: 0.9152885671280908
Energy: 0.9328490935323138
Energy: 1.07637254313709
Energy: 0.9150637201246494
Energy: 0.9262500937306813
Energy: 1.2238459475003087
Energy: 0.9269384091102654
Energy: 1.030934053737518
Energy: 0.960457878970949
Energy: 0.9327784167187436
Energy: 1.0624434968494085
Energy: 1.3191846292612337
Energy: 0.9386588671114071
Energy: 0.9018129657060413
Energy: 1.3307227407777438
Energy: 0.9392651637355104
Energy: 0.9689705147057649
Energy: 1.087207405248752
Energy: 0.992156645992631
Energy: 0.9820236205036881
Energy: 1.0598279013121075
Energy: 1.0994783335053755
Energy: 0.9819464491273472
Energy: 1.1431930111485913
Energy: 0.9887173660696421
Energy: 0.9865309863137279
Energy: 1.1436423368668287
Energy: 1.0379261327844556
Energy: 0.9876622733896274
Energy: 1.1564841458190593
Energy: 0.9403159224604293
Energy: 0.9865539645295853
Energy: 1.1553281169035123
Energy: 0.9268930404019364
Energy: 0.9087242093822526
Energy: 1.1799417642597385
Energy: 1.0626677353641127
Energy: 0.9903415798563406
Energy: 1.0997932441529268
Energy: 1.105203995012952
Energy: 0.9772463597391284

minimum gb energy = 0.7020796338866864 eV
minimum distance =  2.56896848049796 Angstroms
sigma value = 81


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

Energy: 0.26991373004046043
Energy: 0.6038367242749892
Energy: 0.07592365552439943
Energy: 0.0781444309320883
Energy: 0.6035579368627169
Energy: 0.2698096461275541
Energy: 0.5212600764356181
Energy: 0.6598800864006258
Energy: 0.46945859325303646
Energy: 0.5828737694382937
Energy: 0.469280534228371
Energy: 0.4680400820285299
Energy: 0.5204269861588515
Energy: 0.07583057168767539
Energy: 0.0759611190039908
Energy: 0.5110836974771842
Energy: 0.07582524040931399
Energy: 0.07617853950227597
Energy: 0.5082130213418775
Energy: 0.07591000728745737
Energy: 0.07541728362959131
Energy: 0.5484615116849
Energy: 0.07591890459814614
Energy: 0.12468415711874369
Energy: 0.12384038777495285
Energy: 0.5000720390057348
Energy: 0.5064151007539966
Energy: 0.1251492792355962
Energy: 0.5065564440365692
Energy: 0.5024992693282933
Energy: 0.07665571524737905
Energy: 0.4623940026892413
Energy: 0.07624966393622706
Energy: 0.0787468988812679
Energy: 0.32785963845957217
Energy: 0.07579770983399944
Energy: 0.5002226479447409
Energy: 0.46209493170196025
Energy: 0.4621864595125755
Energy: 0.37597675354713367
Energy: 0.4617696417881234
Energy: 0.4627510496440533
Energy: 0.5505867530129989
Energy: 0.0758991997432046
Energy: 0.07582043385818966
Energy: 0.5954454356985639
Energy: 0.07562894629749857
Energy: 0.07609219229685245
Energy: 0.4774747370246601
Energy: 0.0760596496620613
Energy: 0.12480665361279739
Energy: 0.5384291916709698
Energy: 0.07595434691397995
Energy: 0.12651567709270364
Energy: 0.26934125002834053
Energy: 0.5110988460535857
Energy: 0.5140710468515809
Energy: 0.07525191998779472
Energy: 0.5138382312490852
Energy: 0.702731341655916

minimum gb energy = 0.07525191998779472 eV
minimum distance =  2.53599117671496 Angstroms
sigma value = 3


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

Energy: 1.7736470569441196
Energy: 1.0955833290876689
Energy: 1.0354708343987356
Energy: 1.775813166297238
Energy: 1.09601430738406
Energy: 1.0453434127103505
Energy: 1.090655863413195
Energy: 1.036775102855842
Energy: 1.0314404106705248
Energy: 1.0525339879383036
Energy: 1.0400587798914593
Energy: 1.0663732435486954
Energy: 1.035624227969283
Energy: 1.0408708130466464
Energy: 1.0410192747228901
Energy: 1.0356334416100355
Energy: 1.0412562007854103
Energy: 0.9692630025567088
Energy: 0.9849444070696044
Energy: 1.0477778558616853
Energy: 1.0492402999897523
Energy: 0.9859980141705604
Energy: 1.009508329151773
Energy: 1.145553159019348
Energy: 0.962072115757175
Energy: 1.045139373982468
Energy: 1.0658459996810596
Energy: 0.9623058760444622
Energy: 1.0493809389746411
Energy: 1.0660301034659507
Energy: 1.7003695315515273
Energy: 1.0723340422609218
Energy: 1.0409218867890273
Energy: 1.3803370525377956
Energy: 1.0140620655753125
Energy: 1.003270295721555
Energy: 0.9503626275203741
Energy: 0.9601524475361792
Energy: 0.8879557034529704
Energy: 0.9525762496009154
Energy: 0.9859358619713591
Energy: 1.08232698200342
Energy: 0.9372896379763723
Energy: 0.9704986569381715
Energy: 0.9725444202697938
Energy: 0.9375949624864722
Energy: 0.9533761310467647
Energy: 0.9599348683566443
Energy: 1.1434302187486376
Energy: 0.9943851122150478
Energy: 1.0635280783006302
Energy: 1.1451808932865573
Energy: 0.9008995218993066
Energy: 1.041686240955785
Energy: 0.9723393261402632
Energy: 0.848296097371434
Energy: 0.8502755707435751
Energy: 0.9402794293950417
Energy: 0.8527545810497383
Energy: 0.9087317880921499
Energy: 1.363453343144523
Energy: 0.9649985873522513
Energy: 0.978281536891628
Energy: 0.9911737220539597
Energy: 0.9498164392447584
Energy: 0.9407872577668961
Energy: 0.7980706317569675
Energy: 1.0068837490436269
Energy: 0.9898573277861255
Energy: 0.7980465223477534
Energy: 1.0399701873830496
Energy: 0.8475544096158119
Energy: 0.7939475010472712
Energy: 0.9392191292123594
Energy: 0.9322957855534649
Energy: 0.7940118847929472
Energy: 0.9300634973753654
Energy: 0.9318342004576898
Energy: 1.2362878345885757
Energy: 0.960034220186814
Energy: 0.9464785170549587
Energy: 1.0388443382597239
Energy: 0.8840443318934208
Energy: 0.9403019482403688
Energy: 0.9697200298089723
Energy: 0.7601874484817136
Energy: 0.7603702942944556
Energy: 0.84830439710371
Energy: 0.7644891340937067
Energy: 0.8436082319141734
Energy: 0.8762442439470602
Energy: 0.9301440832204457
Energy: 0.9321994443443031
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Energy: 0.8940045665008877
Energy: 0.9224582277832029
Energy: 0.7467736260412453
Energy: 0.9261540966591517
Energy: 0.9289629655243481
Energy: 0.747007936315617
Energy: 0.8929491362968809
Energy: 0.7959058103717307
Energy: 0.7451417864988165
Energy: 0.9521644490187249
Energy: 0.9560955078144145
Energy: 0.7453267773225506
Energy: 1.2953320618185298
Energy: 0.9520558869146178
Energy: 1.297885073882811
Energy: 0.8897886357902913
Energy: 0.9273038117320767
Energy: 1.0783330415924217
Energy: 0.8954787748938625
Energy: 0.9272448626143421
Energy: 0.9396937787588342
Energy: 0.740978079387055
Energy: 0.7460031919342828
Energy: 0.8412790381914906
Energy: 0.7461666903481974
Energy: 0.7962381156863373
Energy: 0.8687096423794641
Energy: 0.9660378604383739
Energy: 0.9695155592626086
Energy: 0.8906378926384181
Energy: 0.8784177924669193
Energy: 0.9678916060015883
Energy: 0.763518007399811
Energy: 0.9066509889419777
Energy: 0.9218883540196784
Energy: 0.7651978476518296
Energy: 0.9085152131436657
Energy: 0.7603843953137959
Energy: 0.7681976389137293
Energy: 1.0248152108863178
Energy: 1.0233910149291483
Energy: 0.7680862219343951
Energy: 0.9328285088930808
Energy: 0.9551957090097747
Energy: 1.4790163549814535
Energy: 0.7938814148240106
Energy: 0.9476366063535616
Energy: 1.479993413389901
Energy: 0.7936298312490676
Energy: 0.948901417100077
Energy: 0.9470550069567121
Energy: 0.7934904069458028
Energy: 0.8473736794032815
Energy: 0.9302160378621976
Energy: 0.7940200058055911
Energy: 0.8475835406534667
Energy: 0.946759082315927
Energy: 0.9737989595985836
Energy: 0.9734477779793086
Energy: 0.948678665291681
Energy: 0.9417038067199164
Energy: 1.0150080751993762
Energy: 0.850826911175236
Energy: 0.9746888170401895
Energy: 0.9787223400425199
Energy: 0.8529727461048775
Energy: 0.9023635678823616
Energy: 0.8499299817749119
Energy: 0.8186547875749268
Energy: 1.0396421514760699
Energy: 1.0426542025721077
Energy: 0.8194684384725155
Energy: 1.0564807771400142
Energy: 0.9549703472803011
Energy: 1.3851934544623639
Energy: 0.9365199652645563
Energy: 0.9904647105433929
Energy: 1.2992253107513132
Energy: 0.9364343161830156
Energy: 0.9703668509807674
Energy: 0.9859504935666334
Energy: 0.9725393039236431
Energy: 0.9922564590597446
Energy: 0.9865139756872895
Energy: 0.9790257211046844
Energy: 1.0402581144622827
Energy: 0.9553394091604254
Energy: 0.9927549783092791
Energy: 0.9926975574717779
Energy: 0.9555882238219918
Energy: 0.9695144111415278
Energy: 0.9959938009316738
Energy: 1.0449020870809749
Energy: 1.0121502352476477
Energy: 1.055283497200015
Energy: 1.0470873049225742
Energy: 1.0095380547955857
Energy: 1.0657682140785174
Energy: 1.0049310983338462
Energy: 0.9820605010059641
Energy: 0.98243683639802
Energy: 1.0305004797745179
Energy: 0.9858063889820743
Energy: 1.0879554005328864

minimum gb energy = 0.740978079387055 eV
minimum distance =  2.5200503617303 Angstroms
sigma value = 67


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

Energy: 1.6827338254854585
Energy: 1.6162688976793718
Energy: 1.1802011090917546
Energy: 1.6786644845099328
Energy: 1.6053046703810896
Energy: 1.2480817790686598
Energy: 1.2666313426919142
Energy: 1.1887405376899642
Energy: 1.1946415987858017
Energy: 1.236318906848144
Energy: 1.1906943614350665
Energy: 1.2464434430958515
Energy: 1.2110624088029136
Energy: 1.2224893338170797
Energy: 1.345283219859376
Energy: 1.212552955954599
Energy: 1.1377879686468844
Energy: 1.2480447580711813
Energy: 1.0897327460356736
Energy: 1.351772423109864
Energy: 1.3652529140507357
Energy: 1.089970366620699
Energy: 1.156265060512324
Energy: 1.3686970564678704
Energy: 1.0467510347851114
Energy: 1.2353124826668596
Energy: 1.2399996198481662
Energy: 1.0470096368003843
Energy: 1.212953064343816
Energy: 1.2573876329068423
Energy: 1.4809375061331864
Energy: 1.262129359623419
Energy: 1.2391252152991095
Energy: 1.5496563690365426
Energy: 1.280292043464572
Energy: 1.243432408066244
Energy: 1.0603635502166124
Energy: 1.1991784326981683
Energy: 1.2416347540914845
Energy: 1.0616769146638652
Energy: 1.188333330328226
Energy: 1.1449661471797496
Energy: 1.0620182011397854
Energy: 1.1350086587558512
Energy: 1.1324747864618774
Energy: 1.0637018438998243
Energy: 1.1388297763757913
Energy: 1.1863371250549488
Energy: 1.3637221460253142
Energy: 1.1791876918756896
Energy: 1.2080785690326798
Energy: 1.1987042472497316
Energy: 1.0148146404017577
Energy: 1.1963152993749282
Energy: 1.141168661083615
Energy: 0.959968157689655
Energy: 0.9542810531070239
Energy: 1.1384566709654886
Energy: 0.9559736670608855
Energy: 1.0612795267154205
Energy: 1.087666439223908
Energy: 1.1056173565673273
Energy: 1.136476684403113
Energy: 1.1251879090400778
Energy: 1.0726027612076643
Energy: 1.1374013717987093
Energy: 0.9156616100117343
Energy: 1.1798373802739708
Energy: 1.150468626654862
Energy: 0.9172495825495328
Energy: 1.2707122404486408
Energy: 0.9810518674101142
Energy: 0.9147533296832814
Energy: 1.1653959652855916
Energy: 1.1529827659403291
Energy: 0.9163237297829151
Energy: 1.4072475707640322
Energy: 1.0108265275445558
Energy: 1.0587653615048598
Energy: 1.1195242188005843
Energy: 1.111129483526643
Energy: 1.0940784099629672
Energy: 1.0463735758248514
Energy: 1.1063197374466933
Energy: 1.0947841431759113
Energy: 0.9119053855507326
Energy: 0.9198016752630794
Energy: 1.0945781351719064
Energy: 0.9075360326822103
Energy: 0.9917798098168722
Energy: 1.2278441291300561
Energy: 1.1272997595902639
Energy: 1.1245150798704626
Energy: 1.062981088026353
Energy: 1.033689381908313
Energy: 1.1537457155576978
Energy: 0.9567506552076036
Energy: 1.1142043223634033
Energy: 1.140597197709068
Energy: 0.9581710636758513
Energy: 1.1121290305143532
Energy: 1.0954304551776952
Energy: 0.9568420935130948
Energy: 1.2118658979703614
Energy: 1.2053095056494487
Energy: 0.9572423659097395
Energy: 1.2116784575461017
Energy: 1.076535416304436
Energy: 1.4782933979232322
Energy: 1.139353680087104
Energy: 1.186341200328168
Energy: 1.4324306417986366
Energy: 1.1348462413971134
Energy: 1.1631477479680319
Energy: 1.135972546717429
Energy: 1.1058670845908274
Energy: 1.1473979017148939
Energy: 1.0721918335439702
Energy: 1.0660935131857006
Energy: 1.1346967871668163
Energy: 1.2104526615668376
Energy: 1.2515107383957336
Energy: 1.2619728866723898
Energy: 1.2126890597396778
Energy: 1.1251273203561714
Energy: 1.257428937105779
Energy: 1.216277311685945
Energy: 1.1853857320716361
Energy: 1.2414665417732738
Energy: 1.2177924363766621
Energy: 1.1160324828985906
Energy: 1.190636144281442
Energy: 1.1670260937192896
Energy: 1.142427968576271
Energy: 1.1945299569776056
Energy: 1.1002944656972609
Energy: 1.1384314830340356
Energy: 1.2459111399030516

minimum gb energy = 0.9075360326822103 eV
minimum distance =  2.49772141056451 Angstroms
sigma value = 33


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

Energy: 1.8269209637690387
Energy: 1.4332153439012114
Energy: 1.5702807508655208
Energy: 1.8310067090799769
Energy: 1.4402898969359552
Energy: 1.3086433890652853
Energy: 1.3052810087927578
Energy: 1.2601187527144544
Energy: 1.2663549337507856
Energy: 1.3048854440335849
Energy: 1.2607834908126965
Energy: 1.3168640342866162
Energy: 1.3014490583482985
Energy: 1.4406047608579204
Energy: 1.4305653803754366
Energy: 1.3033407202649865
Energy: 1.4302368316622676
Energy: 1.3348670958112379
Energy: 1.148628375010119
Energy: 1.469148930856092
Energy: 1.472586760052269
Energy: 1.1504427267921868
Energy: 1.1889343558763836
Energy: 1.472201048522919
Energy: 1.0936711384776918
Energy: 1.3134057115375264
Energy: 1.3377704740958676
Energy: 1.0927405163585306
Energy: 1.3387636090042945
Energy: 1.3336765269061213
Energy: 1.6915996930774233
Energy: 1.3935942702563964
Energy: 1.4226928927338973
Energy: 1.6938971052528247
Energy: 1.39625314385533
Energy: 1.2973349447723364
Energy: 1.0935798103839571
Energy: 1.293216753556546
Energy: 1.3207130918219303
Energy: 1.0929896132071302
Energy: 1.2925008077262765
Energy: 1.2135250990225792
Energy: 1.1111704777160067
Energy: 1.2770515452924258
Energy: 1.259337627612719
Energy: 1.112973488791691
Energy: 1.2768641659662205
Energy: 1.164119031652963
Energy: 1.3143261791755954
Energy: 1.255892408436432
Energy: 1.2524866495964049
Energy: 1.3167430653608496
Energy: 1.0722681302964587
Energy: 1.2512059523664774
Energy: 1.2391004017348843
Energy: 1.0107024409196324
Energy: 1.010192511274242
Energy: 1.1797656644025583
Energy: 1.0135399260618514
Energy: 1.1397137178952745
Energy: 1.1863064298820463
Energy: 1.186179518205476
Energy: 1.218742414845111
Energy: 1.1775005703033925
Energy: 1.1320897029221917
Energy: 1.233272706078103
Energy: 1.0171698364493984
Energy: 1.277895581945564
Energy: 1.2772516320948104
Energy: 1.0189206321858626
Energy: 1.3740988116284258
Energy: 1.122654445174179
Energy: 1.018760496235698
Energy: 1.3144751016291523
Energy: 1.3044009684970148
Energy: 1.010204480200061
Energy: 1.3386634163069062
Energy: 1.1516103887681721
Energy: 1.4257096034394015
Energy: 1.1944161939907747
Energy: 1.2616365743802371
Energy: 1.4064211211500168
Energy: 1.1883600818380184
Energy: 1.2415600781340772
Energy: 1.1694562446036887
Energy: 1.1771265252533247
Energy: 1.1752849646820787
Energy: 1.1823130839738158
Energy: 1.113365423822907
Energy: 1.224032103377559
Energy: 1.2967903054205348
Energy: 1.301373110133113
Energy: 1.304196611930812
Energy: 1.2991743154675295
Energy: 1.0314666701013353
Energy: 1.252219493623202
Energy: 1.3119193601730574
Energy: 1.3152450332230508
Energy: 1.3227969180415915
Energy: 1.3051466041629423
Energy: 1.3150970679279506
Energy: 1.2545250297289627
Energy: 1.3085323595734768
Energy: 1.1991076096077036
Energy: 1.2586843682202975
Energy: 1.310457469554956
Energy: 1.2147247006580495
Energy: 1.2973732320229037
Energy: 1.82820727333305
Energy: 1.3697564973925958
Energy: 1.54312506834982
Energy: 1.830941909707408
Energy: 1.3669015777119884
Energy: 1.3326111774309546
Energy: 1.1516905683140286
Energy: 1.2597733570869527
Energy: 1.2589205132600876
Energy: 1.1517565913603123
Energy: 1.2604734563688895
Energy: 1.2586293694336992
Energy: 1.2979120068535939
Energy: 1.339063352701711
Energy: 1.339723145396988
Energy: 1.2649843119658861
Energy: 1.3087880502916205
Energy: 1.3349477354753743
Energy: 1.1902451625610022
Energy: 1.4438595912836516
Energy: 1.4500625613886344
Energy: 1.1795852497210935
Energy: 1.4689457761629139
Energy: 1.4721098556016508
Energy: 1.0930542980436495
Energy: 1.33631637766278
Energy: 1.3407608560207034
Energy: 1.0930709049009908
Energy: 1.339140130576548
Energy: 1.3339031456850696
Energy: 1.6879640130145273
Energy: 1.4184607988471145
Energy: 1.422077833897048
Energy: 1.6890089525975251
Energy: 1.3585218672659582
Energy: 1.2832224806163306
Energy: 1.0927990667933214
Energy: 1.2921110104653162
Energy: 1.3199632659650329
Energy: 1.0931050826125874
Energy: 1.2902535478982342
Energy: 1.260409734016144
Energy: 1.1079734202061724
Energy: 1.2771037937025507
Energy: 1.2853754670808544
Energy: 1.1099304901170766
Energy: 1.2765339377101508
Energy: 1.1641353088787019
Energy: 1.312001387112572
Energy: 1.2509292293633985
Energy: 1.2964508340731375
Energy: 1.185735414842117
Energy: 1.0726862499682577
Energy: 1.329332701605626
Energy: 1.317301879960756
Energy: 1.0186954548238256
Energy: 1.0153750759532905
Energy: 1.2139374485718788
Energy: 1.0118483360893074
Energy: 1.139798158053183
Energy: 1.458593047313761
Energy: 1.1958162943263615
Energy: 1.2207549632616468
Energy: 1.4576631527567312
Energy: 1.1296467795504155
Energy: 1.2355406035754906
Energy: 1.0102050468065409
Energy: 1.2778079098166835
Energy: 1.2927297719940392
Energy: 1.0101793781638766
Energy: 1.353770511458014
Energy: 1.1730160928730349
Energy: 1.013669456582211
Energy: 1.352051963562074
Energy: 1.1513956674736459
Energy: 1.015401468603945
Energy: 1.3325393118904016
Energy: 1.1148101020486194
Energy: 1.381691974892982
Energy: 1.2563344930981097
Energy: 1.2602894193233751
Energy: 1.2226645525831406
Energy: 1.1893973798731639
Energy: 1.24048644686469
Energy: 1.1698766352167298
Energy: 1.117060005812353
Energy: 1.1707888208649386
Energy: 1.1422530037660483
Energy: 1.11101142900179
Energy: 1.2300022361092564
Energy: 1.295530417146733
Energy: 1.278747820087009
Energy: 1.2095823482632926
Energy: 1.29744972234993
Energy: 1.03135929202406
Energy: 1.2107442989052843
Energy: 1.3050837934291155
Energy: 1.3153621209974473
Energy: 1.3152260312071595
Energy: 1.3049747499044932
Energy: 1.4017798126262313
Energy: 1.3135859751129508
Energy: 1.3057483093528115
Energy: 1.1991907618504667
Energy: 1.3171037462196695
Energy: 1.2957976311224715
Energy: 1.2079299249857804
Energy: 1.3171711177717373
Energy: 1.4728622223937808
Energy: 1.3697942646777652
Energy: 1.554413631554674
Energy: 1.5912628678007632
Energy: 1.3749735504150231
Energy: 1.3631423768628161

minimum gb energy = 1.0101793781638766 eV
minimum distance =  2.53790470344278 Angstroms
sigma value = 41


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

Energy: 1.6378487039732277
Energy: 1.5906284449823143
Energy: 1.6896450655501845
Energy: 1.642084430866974
Energy: 2.006067650407987
Energy: 1.6924214567305458
Energy: 1.3595747119173092
Energy: 1.326579282456628
Energy: 1.3221964144448026
Energy: 1.35491283964289
Energy: 1.3261915402302988
Energy: 1.3994130641067217
Energy: 1.271117814075123
Energy: 1.549231476513742
Energy: 1.5457635637392848
Energy: 1.4364997874952512
Energy: 1.3240543218779406
Energy: 1.4160255167157436
Energy: 1.4164285875551874
Energy: 1.5678990850363994
Energy: 1.5942747484264868
Energy: 1.4071537071811626
Energy: 1.5095158358763736
Energy: 1.3252425343869514
Energy: 1.1427401483594797
Energy: 1.4216328397393723
Energy: 1.5352797221757448
Energy: 1.1427871826061766
Energy: 1.421806914517233
Energy: 1.5419248222043382
Energy: 1.5102743008545318
Energy: 1.4749549855964472
Energy: 1.5373223195045453
Energy: 1.5120560321326098
Energy: 1.498164615714355
Energy: 1.542662645161721
Energy: 1.1437156257652135
Energy: 1.3621725798119335
Energy: 1.3892895578458826
Energy: 1.143688662576259
Energy: 1.3268985281567052
Energy: 1.294065372148556
Energy: 1.155970439275699
Energy: 1.3806314638475314
Energy: 1.3117333808113738
Energy: 1.1578247781778086
Energy: 1.522917001943034
Energy: 1.2303682213379596
Energy: 1.516565808668233
Energy: 1.377208736330037
Energy: 1.3679942965931886
Energy: 1.5180884537447792
Energy: 1.2307946612473886
Energy: 1.3697502170245115
Energy: 1.3383322026659292
Energy: 1.2422948174683666
Energy: 1.2491326245217167
Energy: 1.2823453837088667
Energy: 1.160673517339306
Energy: 1.2500080147857098
Energy: 1.4315851414440612
Energy: 1.3801413652417502
Energy: 1.377579142261607
Energy: 1.4334391924016885
Energy: 1.0982971521833027
Energy: 1.2941755264501924
Energy: 1.2711395678027018
Energy: 1.402629803287052
Energy: 1.426234572948237
Energy: 1.30601363278486
Energy: 1.5423372138011835
Energy: 1.408759022141263
Energy: 1.3537470606643682
Energy: 1.2320939804966653
Energy: 1.3779689950327254
Energy: 1.355820320203483
Energy: 1.271629243912437
Energy: 1.39792766447227
Energy: 1.7587822862817704
Energy: 1.4570295777614204
Energy: 1.6816220059020062
Energy: 1.653178951070836
Energy: 1.4420702630098272
Energy: 1.6777450449962183

minimum gb energy = 1.0982971521833027 eV
minimum distance =  2.50711639273865 Angstroms
sigma value = 11


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

Energy: 2.0298703009790087
Energy: 1.574461507578426
Energy: 1.515304627508326
Energy: 2.0321017453431836
Energy: 1.5742391160076548
Energy: 1.7393200592214317
Energy: 1.541733926100642
Energy: 1.2319944958236955
Energy: 1.2596722537438372
Energy: 1.5472908673453452
Energy: 1.2662002461791626
Energy: 1.3538674232063206
Energy: 1.7365267649415892
Energy: 1.6959902726664917
Energy: 1.679610031283358
Energy: 1.7305976390922153
Energy: 1.6985617877122854
Energy: 1.6173675298680246
Energy: 1.6450452941265614
Energy: 1.5657058942066084
Energy: 1.5117541344862606
Energy: 1.647258912123909
Energy: 1.3064851942001772
Energy: 1.5013121798141793
Energy: 1.4115586127783086
Energy: 1.3128963852056281
Energy: 1.2979997645359822
Energy: 1.3161985359639188
Energy: 1.3145312063895227
Energy: 1.4123090852711015
Energy: 1.512305261120835
Energy: 1.3331255085419216
Energy: 1.4369163870540365
Energy: 1.5076335115984063
Energy: 1.3000206947414232
Energy: 1.4387711350349481
Energy: 1.3040643845274151
Energy: 1.432047380179352
Energy: 1.4487483173511413
Energy: 1.3062600766647687
Energy: 1.4228669125278877
Energy: 1.4473954053447544
Energy: 1.2382373116962235
Energy: 1.3406917425717197
Energy: 1.3702876881637525
Energy: 1.240474335899853
Energy: 1.3084202954459758
Energy: 1.3547122055994336
Energy: 1.4994387980395991
Energy: 1.58300893470691
Energy: 1.614387947323905
Energy: 1.4990021423654376
Energy: 1.6201382490517762
Energy: 1.7456354131256835
Energy: 1.4743829572843457
Energy: 1.6250692172931431
Energy: 1.6291051682923354
Energy: 1.2540258204522983
Energy: 1.6800028820198838
Energy: 1.746057591846146
Energy: 1.372831123409161
Energy: 1.3742960598780813
Energy: 1.45124015474756
Energy: 1.3754100191462293
Energy: 1.4587614710333674
Energy: 1.3401860522168914
Energy: 1.3266366465386854
Energy: 1.8569690991774799
Energy: 1.7713508281557446
Energy: 1.3255540780030044
Energy: 1.927662850308018
Energy: 1.7747542401760934
Energy: 1.2031928869447934
Energy: 1.5050470855199718
Energy: 1.4869496010986745
Energy: 1.20326026752594
Energy: 1.6059227413761403
Energy: 1.4440125772895955
Energy: 1.725157021814003
Energy: 1.6345564363259033
Energy: 1.6314842997020889
Energy: 1.7116347948828181
Energy: 1.633830539126559
Energy: 1.6653314402931676
Energy: 1.2047240186476047
Energy: 1.3793659591525498
Energy: 1.4246943878887732
Energy: 1.2045526723494242
Energy: 1.5957119108111752
Energy: 1.428652404886993
Energy: 1.2257125071618276
Energy: 1.3636646764471143
Energy: 1.3811339797449074
Energy: 1.2282315002095512
Energy: 1.3807851988979782
Energy: 1.2904844747763486
Energy: 1.230490055805482
Energy: 1.3825436224645165
Energy: 1.4094370283917352
Energy: 1.2303009448130637
Energy: 1.3718961139007346
Energy: 1.3887809113945393
Energy: 1.6041265763019803
Energy: 1.432174116673075
Energy: 1.4318488133812974
Energy: 1.5978351931897485
Energy: 1.4411448230549921
Energy: 1.5019815443243194
Energy: 1.2452084006690909
Energy: 1.361961704555009
Energy: 1.3982770121854728
Energy: 1.2451809102922053
Energy: 1.3578353108206471
Energy: 1.3588847821945709
Energy: 1.4236479806925386
Energy: 1.7884149647141714
Energy: 1.7345805523796467
Energy: 1.4484286487078555
Energy: 1.8296960976137862
Energy: 1.508819004852626
Energy: 1.4361740535486018
Energy: 1.6178748084055246
Energy: 1.482740274458825
Energy: 1.4900160580564978
Energy: 1.2952576230324802
Energy: 1.4194655960163252
Energy: 1.2651196145387944
Energy: 1.3354858785992505
Energy: 1.391233584019405
Energy: 1.2653814348592478
Energy: 1.4039363123479558
Energy: 1.419392589423413
Energy: 1.8680223769797892
Energy: 1.4238382827457998
Energy: 1.6450387315256234
Energy: 1.8406866544342102
Energy: 1.4532729291990636
Energy: 1.6205704561316852
Energy: 1.4005591184675352
Energy: 1.2664743742425015
Energy: 1.3336744503583269
Energy: 1.4018521345297144
Energy: 1.2350065340281198
Energy: 1.391976201875872
Energy: 1.4330828071163866
Energy: 1.6247671750272183
Energy: 1.5597702894747771
Energy: 1.4401779143819522
Energy: 1.5198730496103348
Energy: 1.5569897414513394
Energy: 1.5026339331528058
Energy: 1.3446081401916963
Energy: 1.3995804478891871
Energy: 1.3760154353293168
Energy: 1.2240053624438922
Energy: 1.4097417205069032
Energy: 1.4473388447889952
Energy: 1.240293925246789
Energy: 1.240402591386039
Energy: 1.3811243917841658
Energy: 1.24311249810658
Energy: 1.331388112365225
Energy: 1.6025060587959281
Energy: 1.378839300764486
Energy: 1.4073733204624637
Energy: 1.5407511532816542
Energy: 1.2370155463749828
Energy: 1.421170071308078
Energy: 1.6270286227825574
Energy: 1.6372949456645511
Energy: 1.6164494191867236
Energy: 1.630225332152918
Energy: 1.6026960269802244
Energy: 1.5544051296647055
Energy: 1.5533179498195573
Energy: 1.219438265697681
Energy: 1.2950679710828017
Energy: 1.543053529260716
Energy: 1.2194642270617833
Energy: 1.4007722384828036
Energy: 2.0410257192395234
Energy: 1.315477763876978
Energy: 1.6724121500343447
Energy: 2.045060743435256
Energy: 1.3153127859350717
Energy: 1.5114051519455265

minimum gb energy = 1.2031928869447934 eV
minimum distance =  2.50943945778111 Angstroms
sigma value = 57


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

Energy: 1.8302097739574177
Energy: 1.3868421255236685
Energy: 1.6282928186222008
Energy: 1.8341982233788605
Energy: 2.114768281234597
Energy: 1.7500616571047514
Energy: 1.2484978320683309
Energy: 1.3641043525067644
Energy: 1.3775763454927596
Energy: 1.2499642811482214
Energy: 1.311593981625899
Energy: 1.3674026421830092
Energy: 1.3094152303171436
Energy: 1.529043712923323
Energy: 1.4278794974393836
Energy: 1.3096208294413252
Energy: 1.5234719873189626
Energy: 1.3671081390626643
Energy: 1.4079680667211476
Energy: 1.452717418984573
Energy: 1.3126388834032283
Energy: 1.4095305981430066
Energy: 1.7576433986333786
Energy: 1.3136056818708015
Energy: 1.327031752651127
Energy: 1.3694802257751284
Energy: 1.553810924030073
Energy: 1.2926323352596172
Energy: 1.3542735875341125
Energy: 1.5365964579411435
Energy: 1.5152718035578971
Energy: 1.5088110401007153
Energy: 1.552153911802431
Energy: 1.516634409084165
Energy: 1.5108092719058202
Energy: 1.5504345561430517
Energy: 1.325541096896695
Energy: 1.179132224660905
Energy: 1.3378555566028096
Energy: 1.327461241149381
Energy: 1.1837803655676602
Energy: 1.480811752135157
Energy: 1.3128105657561566
Energy: 1.3541205852406641
Energy: 1.426646210871207
Energy: 1.2798507367101946
Energy: 1.312411003971998
Energy: 1.3149273229544007
Energy: 1.1000461475405725
Energy: 1.3931359686278268
Energy: 1.6175346093480463
Energy: 1.3935258717861971
Energy: 1.3954968169936839
Energy: 1.6205639897579447
Energy: 1.0996297222250226
Energy: 1.4314709740927867
Energy: 1.6180887527357486
Energy: 1.2244858348328231
Energy: 1.4309661235489484
Energy: 1.6211594202749655
Energy: 1.3124839953133025
Energy: 1.4565551417055382
Energy: 1.4272415458262342
Energy: 1.2800134093098379
Energy: 1.3604174132800324
Energy: 1.3148991236821157
Energy: 1.3960771178959293
Energy: 1.5129356335715975
Energy: 1.506450732845791
Energy: 1.3346539688197234
Energy: 1.5064719301508334
Energy: 1.8792854390929519
Energy: 1.3303856861978356
Energy: 1.434440483564113
Energy: 1.4140055915198504
Energy: 1.152733969621449
Energy: 1.4289670855240761
Energy: 1.415627925169521
Energy: 1.7082955307449705
Energy: 1.3262990752257602
Energy: 1.552006468882919
Energy: 1.6520911531394045
Energy: 1.3281547767799964
Energy: 1.5554470855350135
Energy: 1.3258191750601958
Energy: 1.198763983560201
Energy: 1.4507497235993705
Energy: 1.3432022916697082
Energy: 1.444875677373866
Energy: 1.4298505138554056
Energy: 1.2942292216139806
Energy: 1.199322186777271
Energy: 1.305569870572674
Energy: 1.2960927657602415
Energy: 1.2027013759088678
Energy: 1.380286577334846
Energy: 1.099751191212423
Energy: 1.217680946644914
Energy: 1.300280277553008
Energy: 1.0999234637483044
Energy: 1.2196487200712043
Energy: 1.367843596731006

minimum gb energy = 1.0996297222250226 eV
minimum distance =  2.52937870146775 Angstroms
sigma value = 9


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

Energy: 2.0600961799991215
Energy: 2.0012177190325966
Energy: 1.7278971216748857
Energy: 2.0641012427496754
Energy: 2.1330123093040028
Energy: 1.880718610154716
Energy: 1.56859023199684
Energy: 1.532685483002724
Energy: 1.4745512685098887
Energy: 1.5667578196626872
Energy: 1.51385773391574
Energy: 1.4827398671632184
Energy: 1.5120558860576703
Energy: 1.5150739761346192
Energy: 1.5533389741260657
Energy: 1.51363356474698
Energy: 1.5207548342167108
Energy: 1.5398841589788903
Energy: 1.508014666471977
Energy: 1.4744950768412926
Energy: 1.4385032466749221
Energy: 1.5098661395522301
Energy: 1.4344069032854225
Energy: 1.4517510672577358
Energy: 1.410768376022475
Energy: 1.3624235932444337
Energy: 1.4062902251782452
Energy: 1.4108513217005538
Energy: 1.348261211730503
Energy: 1.3941750339017251
Energy: 1.3296960527531678
Energy: 1.367105787559766
Energy: 1.3404751675296298
Energy: 1.3142678444031843
Energy: 1.3560007784175478
Energy: 1.3675526638835602
Energy: 1.4875659862811734
Energy: 1.6445761103746244
Energy: 1.412585395622525
Energy: 1.4701352625882271
Energy: 1.6457115375053344
Energy: 1.4139703305128195
Energy: 1.480222727256518
Energy: 1.4147565122584118
Energy: 1.4532116542952647
Energy: 1.4815991260471
Energy: 1.511328458296938
Energy: 1.4674926845472303
Energy: 1.7738229882372205
Energy: 1.493994444958019
Energy: 1.525784696810745
Energy: 1.777665686896832
Energy: 1.564354305494386
Energy: 1.5546699565843582
Energy: 1.8050851957131504
Energy: 1.4894321021195676
Energy: 1.5307113653161373
Energy: 1.5719923889245078
Energy: 1.4840482440920284
Energy: 1.5686361220683946
Energy: 1.4232493797330381
Energy: 1.4242433850111293
Energy: 1.395158333345613
Energy: 1.4246724959315398
Energy: 1.4004807387240403
Energy: 1.3843878221684018
Energy: 1.3614958913520812
Energy: 1.433413356260844
Energy: 1.4049193919060767
Energy: 1.3603057557401976
Energy: 1.3969069399534368
Energy: 1.4304171765828988
Energy: 1.6980262106499953
Energy: 1.438603445777715
Energy: 1.4878150291983232
Energy: 1.606205450773497
Energy: 1.454689203871168
Energy: 1.6252284721492998
Energy: 1.6207720502705498
Energy: 1.5269674279556038
Energy: 1.5623200739869552
Energy: 1.6237944364415406
Energy: 1.551813610863314
Energy: 1.5483291593690804
Energy: 1.5828163089342886
Energy: 1.579448408994033
Energy: 1.5887323134816056
Energy: 1.583988545775486
Energy: 1.623537730929108
Energy: 1.5152698318704014
Energy: 1.6690316955769826
Energy: 1.7428134419890855
Energy: 1.550702111267836
Energy: 1.6692770921666962
Energy: 1.7699026931556758
Energy: 1.538535805495707
Energy: 1.5506328776970553
Energy: 1.5080054171978923
Energy: 1.5088877664271305
Energy: 1.423127641488713
Energy: 1.498584969391512
Energy: 1.5122835929421359
Energy: 1.5507222434918086
Energy: 1.4185745905240392
Energy: 1.5169725792019204
Energy: 1.5505336023023837
Energy: 1.4251667057697037
Energy: 1.5490061289350714
Energy: 1.459459854087248
Energy: 1.5229625083003175
Energy: 1.5774374765553663
Energy: 1.4611109182861974
Energy: 1.4061817691158491
Energy: 1.5772534014042499
Energy: 1.5012440528249034
Energy: 1.5163445146438461
Energy: 1.5170906789160536
Energy: 1.5017307038531351
Energy: 1.4615662706123251
Energy: 1.5080209076201654
Energy: 1.7295773550251412
Energy: 1.5320558635791472
Energy: 1.5801500656911558
Energy: 1.5048864923357916
Energy: 1.5637159800124432
Energy: 1.4263888405044451

minimum gb energy = 1.3142678444031843 eV
minimum distance =  2.52613565713435 Angstroms
sigma value = 27


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

Energy: 1.6767344886268418
Energy: 2.01636315402388
Energy: 1.5771901162925315
Energy: 1.6807529073683605
Energy: 1.9798742623298928
Energy: 1.6182285495635569
Energy: 1.7236160107701686
Energy: 1.6504931711634963
Energy: 1.6529806942760148
Energy: 1.725085366113349
Energy: 1.6544547647025705
Energy: 1.6458706623408568
Energy: 1.5650671996065173
Energy: 1.577422456547162
Energy: 1.5704656160393753
Energy: 1.5666456187056903
Energy: 1.3502485268485156
Energy: 1.5798694199977683
Energy: 1.712948857046072
Energy: 1.5884619738062926
Energy: 1.609834886221839
Energy: 1.678599717240457
Energy: 1.5953861318240234
Energy: 1.5881219717871446
Energy: 1.36477794783073
Energy: 1.532790364736931
Energy: 1.5570093553023885
Energy: 1.3664019891068664
Energy: 1.5330338336042786
Energy: 1.5769776889773592
Energy: 1.4422530737817105
Energy: 1.465501225069496
Energy: 1.4734775538006968
Energy: 1.4439322232683593
Energy: 1.4303448374830985
Energy: 1.4726359650248941
Energy: 1.5190079728816366
Energy: 1.4975203936794497
Energy: 1.4981206079057243
Energy: 1.5179403287577953
Energy: 1.4968170751105452
Energy: 1.4953611253660568
Energy: 1.5073941759828235
Energy: 1.5239063098934968
Energy: 1.5427733414273486
Energy: 1.5410971719171809
Energy: 1.587210242399214
Energy: 1.498026420614366
Energy: 1.685672384793242
Energy: 1.489620660601755
Energy: 1.5056342922349055
Energy: 1.601200934031267
Energy: 1.4655731305229402
Energy: 1.6466907659658176
Energy: 1.7355795290468965
Energy: 1.3882015144595774
Energy: 1.4471805918449279
Energy: 1.7244909832054132
Energy: 1.3769170271568654
Energy: 1.477196630290618
Energy: 1.5397896292331656
Energy: 1.411405375347341
Energy: 1.417210448565761
Energy: 1.5391354885440989
Energy: 1.3465961349944935
Energy: 1.516545408560269
Energy: 1.4067266416805713
Energy: 1.359778363891955
Energy: 1.3985884871877732
Energy: 1.3802151296696794
Energy: 1.3586078046296604
Energy: 1.3955328369538222
Energy: 1.3095163127430074
Energy: 1.323053433462117
Energy: 1.3822687887667922
Energy: 1.3113587029036955
Energy: 1.2871073690852843
Energy: 1.3755648204289914
Energy: 1.3047207674069163
Energy: 1.3359831819083083
Energy: 1.3959090689485056
Energy: 1.303341022269103
Energy: 1.3358914375700335
Energy: 1.3957226707682615
Energy: 1.3198546485427587
Energy: 1.4182461990010007
Energy: 1.428134411839489
Energy: 1.319764400072409
Energy: 1.418186165787247
Energy: 1.537251310172496
Energy: 1.5059060994812985
Energy: 1.5660066258115544
Energy: 1.5660145756291342
Energy: 1.467456578110059
Energy: 1.5635018340976805
Energy: 1.4274303952724046
Energy: 1.364609050950868
Energy: 1.4346298674949522
Energy: 1.4462370303123104
Energy: 1.3642688165273267
Energy: 1.4347000123826454
Energy: 1.4621420800928373
Energy: 1.398193694788525
Energy: 1.5064864453303997
Energy: 1.494132314461781
Energy: 1.4308102285349096
Energy: 1.4703807116051764
Energy: 1.5110993372077481
Energy: 1.5686939380748
Energy: 1.4881710865420268
Energy: 1.4956018991165723
Energy: 1.4840780354756893
Energy: 1.4877508535542405
Energy: 1.4948684703021167
Energy: 1.5109600845017561
Energy: 1.4882840428338162
Energy: 1.4956423095180325
Energy: 1.4934063711310723
Energy: 1.487399598272333
Energy: 1.4952790347600242
Energy: 1.6927439263638615
Energy: 1.4396895560105403
Energy: 1.4641915921976525
Energy: 1.692314672162696
Energy: 1.4448800799045458
Energy: 1.5059362328023322
Energy: 1.3584096826121994
Energy: 1.5467598780120433
Energy: 1.5969504703414636
Energy: 1.3472484489948726
Energy: 1.55034913929883
Energy: 1.618668145478851
Energy: 1.7963030414507848
Energy: 1.5742772632853075
Energy: 1.5741141696093035
Energy: 1.6157688263684276
Energy: 1.575756165405865
Energy: 1.6279583597613705
Energy: 1.6204587691408607
Energy: 1.5692267459530675
Energy: 1.5888287551394835
Energy: 1.6223169625478109
Energy: 1.6144903409503497
Energy: 1.590875248522234
Energy: 1.896679119870987
Energy: 1.6010048737978022
Energy: 1.6449903104810828
Energy: 1.6780777219624012
Energy: 1.5948313145380877
Energy: 1.5826972717587198

minimum gb energy = 1.2871073690852843 eV
minimum distance =  2.51613692694642 Angstroms
sigma value = 19


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

Energy: 1.9826476808718558
Energy: 1.6217418519621007
Energy: 1.8824890325859662
Energy: 1.9855477441903306
Energy: 2.2466942282742246
Energy: 1.9654795400609368
Energy: 1.6847785531616875
Energy: 1.5035420368768497
Energy: 1.5131542020544668
Energy: 1.7234875163582812
Energy: 1.4904674773096958
Energy: 1.4846758486080691
Energy: 1.4777887143896584
Energy: 1.4966112424253302
Energy: 1.5112808296621822
Energy: 1.4515607474865262
Energy: 1.4639499125590456
Energy: 1.5078354196079808
Energy: 1.5516160946161348
Energy: 1.506192845115396
Energy: 1.4686606251230827
Energy: 1.4869460249276165
Energy: 1.4904772000235662
Energy: 1.4673976781866616
Energy: 1.3490672340106884
Energy: 1.4844445570231704
Energy: 1.533681752742348
Energy: 1.3521045663859947
Energy: 1.483016999448188
Energy: 1.5408959818418413
Energy: 1.5630446061608079
Energy: 1.6263857169860372
Energy: 1.4716275960965763
Energy: 1.5711695113055035
Energy: 1.569485303462503
Energy: 1.4729147014636235
Energy: 1.3626623489300564
Energy: 1.7101030940057358
Energy: 1.6437719217281461
Energy: 1.3625436649172256
Energy: 1.8875395916025561
Energy: 1.5805841357098291
Energy: 1.6450279300706956
Energy: 1.5044927800796597
Energy: 1.5104491458363651
Energy: 1.4955927786770125
Energy: 1.5619858920603689
Energy: 1.519479358367302
Energy: 1.3189353592931377
Energy: 1.4382209662086662
Energy: 1.4442680028505355
Energy: 1.3195224646307446
Energy: 1.4054599712605862
Energy: 1.433029337740314
Energy: 1.3719648581754647
Energy: 1.4338987040013367
Energy: 1.4757847460284697
Energy: 1.4416020733888262
Energy: 1.4420243468518323
Energy: 1.4485661383824247
Energy: 1.5221674167144288
Energy: 1.6523262392349485
Energy: 1.6354253902200606
Energy: 1.4919314050558714
Energy: 1.6140114861756654
Energy: 1.6518342332996052
Energy: 1.5129337610997782
Energy: 1.4592705920570064
Energy: 1.4770589639424057
Energy: 1.4381704526408898
Energy: 1.4621491365688344
Energy: 1.474032434035715
Energy: 1.7871670310376582
Energy: 1.3406180881016492
Energy: 1.3306394849134382
Energy: 1.7902055770604433
Energy: 1.3326655180971168
Energy: 1.4237247665608153
Energy: 1.7529561076279456
Energy: 1.3906784702437585
Energy: 1.5029002742912707
Energy: 1.6085723520058208
Energy: 1.4006731268927488
Energy: 1.5050107464028764
Energy: 1.382802287405632
Energy: 1.3215694749484959
Energy: 1.4329651911926378
Energy: 1.3673287418689637
Energy: 1.2820599422609507
Energy: 1.4228691732855354
Energy: 1.4546783291172536
Energy: 1.3831791092272703
Energy: 1.4278079632812382
Energy: 1.4208463819175687
Energy: 1.315592494533335
Energy: 1.4509318586421767
Energy: 1.6786318484147984
Energy: 1.4024847941742442
Energy: 1.4236469823973308
Energy: 1.6804945538897675
Energy: 1.39567822238199
Energy: 1.5002138464654398
Energy: 1.7108404389688716
Energy: 1.4088155284853554
Energy: 1.4886106767910225
Energy: 1.5066911700948888
Energy: 1.4204394245832257
Energy: 1.4657312121282715
Energy: 1.3923765480757397
Energy: 1.4948029394394795
Energy: 1.5968361291503612
Energy: 1.3947293331477801
Energy: 1.4762752804700872
Energy: 1.4361515779410803
Energy: 1.4110551749962397
Energy: 1.5650329539703463
Energy: 1.6221653420777582
Energy: 1.4136035354595624
Energy: 1.5645133923533776
Energy: 1.4321220462370514
Energy: 1.2916882239077891
Energy: 1.3883403990306113
Energy: 1.4461624534449602
Energy: 1.2914830609880557
Energy: 1.3882753204366027
Energy: 1.4340746317191628
Energy: 1.3455391768425635
Energy: 1.4467090347190172
Energy: 1.4607624720901868
Energy: 1.3449239699909692
Energy: 1.415242789816356
Energy: 1.440574827152129
Energy: 1.359722819792284
Energy: 1.61291821767917
Energy: 1.5318818463420676
Energy: 1.3599458994467788
Energy: 1.6168448070383743
Energy: 1.3790975945360635
Energy: 1.454298313660537
Energy: 1.5346325589427878
Energy: 1.5260142686888731
Energy: 1.353190267262068
Energy: 1.5671440534814802
Energy: 1.3818340331700512
Energy: 1.545396437231826
Energy: 1.424061456299799
Energy: 1.4819735291976572
Energy: 1.4570194806193413
Energy: 1.441446577277101
Energy: 1.5063184372580953
Energy: 1.4604391672942805
Energy: 1.4997052001210565
Energy: 1.4740063247024968
Energy: 1.4619035109555474
Energy: 1.497461672300906
Energy: 1.5177163122977444
Energy: 1.446054705248631
Energy: 1.4005320807011978
Energy: 1.440089383710034
Energy: 1.4296882487421387
Energy: 1.3546342710167378
Energy: 1.4767889693392162
Energy: 1.5070247584406542
Energy: 1.351135653373051
Energy: 1.4345362206425256
Energy: 1.4844059276946917
Energy: 1.3510752497073528
Energy: 1.4601031408477048
Energy: 1.8501347350078918
Energy: 1.460566949734655
Energy: 1.516484200561619
Energy: 1.6022020438501678
Energy: 1.3875489372544865
Energy: 1.3929467905205233

minimum gb energy = 1.2820599422609507 eV
minimum distance =  2.53130739119326 Angstroms
sigma value = 101


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

Energy: 1.8576021949559207
Energy: 1.6182659591086828
Energy: 1.9182429727136752
Energy: 1.8602825427290188
Energy: 2.159956074262614
Energy: 1.7051160490865496
Energy: 1.6474695354665796
Energy: 1.406715673035137
Energy: 1.471505925551726
Energy: 1.6481282536805595
Energy: 1.3444412605293412
Energy: 1.445343358843615
Energy: 1.476904676952596
Energy: 1.5226218289977518
Energy: 1.5513797628249602
Energy: 1.478524577628436
Energy: 1.4766909359853626
Energy: 1.4474755982479866
Energy: 1.4342807728508937
Energy: 1.4616055725794268
Energy: 1.396973433165308
Energy: 1.4937967812323
Energy: 1.4582631625091287
Energy: 1.391203399578969
Energy: 1.2579892417857663
Energy: 1.5029286737029164
Energy: 1.6148805816191125
Energy: 1.2607730518565265
Energy: 1.5075973682359651
Energy: 1.4110863322434475
Energy: 1.402224341148168
Energy: 1.45883274565697
Energy: 1.4133002039219942
Energy: 1.4022376560114294
Energy: 1.5757307132371823
Energy: 1.4130280522670031
Energy: 1.3952800651085693
Energy: 1.8885676067827961
Energy: 1.9205804938819322
Energy: 1.3950210425765246
Energy: 1.8880130936077264
Energy: 1.7857596345534144
Energy: 1.3912483416850234
Energy: 1.4453264545836981
Energy: 1.4139860497169814
Energy: 1.479058376161496
Energy: 1.4548980175558799
Energy: 1.4712600886056453
Energy: 1.2353105410350158
Energy: 1.4693017130278758
Energy: 1.443580469242475
Energy: 1.237187434993686
Energy: 1.416528163252152
Energy: 1.3897647591406355
Energy: 1.231377578840925
Energy: 1.459150909673742
Energy: 1.4373248375541992
Energy: 1.2312469345339205
Energy: 1.4363976253792985
Energy: 1.4047142723796493
Energy: 1.5733819009180077
Energy: 1.7555708015341498
Energy: 1.7500357646924916
Energy: 1.5320607514296003
Energy: 1.7595215302905862
Energy: 1.6583495503585124
Energy: 1.4505841076358692
Energy: 1.4498831954294762
Energy: 1.4271990161103694
Energy: 1.4137624167716218
Energy: 1.4321702769920317
Energy: 1.4061400931098234
Energy: 1.5721988565990224
Energy: 1.4046097872260848
Energy: 1.4426433649004309
Energy: 1.5737361560010277
Energy: 1.4093556449957256
Energy: 1.5162166238479236
Energy: 1.7225318345347587
Energy: 1.4060061644912845
Energy: 1.4274993523541177
Energy: 1.46130665022263
Energy: 1.5764857232058174
Energy: 1.4440291481799827
Energy: 1.3847989140900099
Energy: 1.2900040467556335
Energy: 1.408643794005669
Energy: 1.3870074507831676
Energy: 1.2363445562762214
Energy: 1.4095329161095
Energy: 1.5373628719082704
Energy: 1.3075444633026465
Energy: 1.3680955927813716
Energy: 1.5367162228829028
Energy: 1.3716411133064195
Energy: 1.410596191144553
Energy: 1.8698491683586582
Energy: 1.3731840160568427
Energy: 1.3860422063465172
Energy: 1.8624560142093267
Energy: 1.3999430795405536
Energy: 1.7303932142580944
Energy: 1.45290426259368
Energy: 1.4962593645512523
Energy: 1.4347274534977448
Energy: 1.4532844559047469
Energy: 1.5127081102983202
Energy: 1.4838201320153959
Energy: 1.4782329396965945
Energy: 1.5461196985389403
Energy: 1.5818751997324347
Energy: 1.4768835436782848
Energy: 1.3076222654490517
Energy: 1.5808216091766114
Energy: 1.4933169045536117
Energy: 1.5240396457214853
Energy: 1.5572245648802279
Energy: 1.5056849238889842
Energy: 1.5314289985174112
Energy: 1.5089468481300232
Energy: 1.2612393970484568
Energy: 1.459029762792575
Energy: 1.4928822315784418
Energy: 1.2634309267465944
Energy: 1.4622418023279937
Energy: 1.4169467122397095
Energy: 1.403586982763188
Energy: 1.474420394968956
Energy: 1.444025030191493
Energy: 1.3277457560878378
Energy: 1.544869809581024
Energy: 1.4154940394576783
Energy: 1.393835929588461
Energy: 1.5522331619182186
Energy: 1.532617908045845
Energy: 1.3690166811419797
Energy: 1.6066264622430784
Energy: 1.532876913379274
Energy: 1.4632033846968973
Energy: 1.4492336883237027
Energy: 1.5796386374446636
Energy: 1.4634298447236072
Energy: 1.4882952722229437
Energy: 1.4375741360968148
Energy: 1.2309691448116116
Energy: 1.4153170431152085
Energy: 1.4110083059619534
Energy: 1.2313004422996332
Energy: 1.4658437204111003
Energy: 1.3877262168767832
Energy: 1.2307126612544836
Energy: 1.4058464187433892
Energy: 1.4515836235526
Energy: 1.2312902389024936
Energy: 1.4102134674170284
Energy: 1.4364004948074671
Energy: 1.4953099756533967
Energy: 1.6670537090243485
Energy: 1.688077746556541
Energy: 1.496961876616162
Energy: 1.6818750379553424
Energy: 1.6595066947238475
Energy: 1.4310504770195214
Energy: 1.4119076817234606
Energy: 1.4667224849877178
Energy: 1.4326267304934521
Energy: 1.6777812625120565
Energy: 1.4743551600669391
Energy: 1.481064757263777
Energy: 1.404831399437918
Energy: 1.44231225405913
Energy: 1.4786560384106806
Energy: 1.406904994597679
Energy: 1.4705766088224705
Energy: 1.5620185961139845
Energy: 1.4176506425329314
Energy: 1.425840099881187
Energy: 1.563795393074371
Energy: 1.4494145901558624
Energy: 1.4655721186680741
Energy: 1.3999452520833007
Energy: 1.2872245591657543
Energy: 1.4132542081041288
Energy: 1.3994193326117361
Energy: 1.232212266189162
Energy: 1.430519937225847
Energy: 1.5361782850743229
Energy: 1.3074674540008289
Energy: 1.3745361711117028
Energy: 1.5368134982108752
Energy: 1.3068351479338784
Energy: 1.44055769320039
Energy: 1.7515751191235558
Energy: 1.3898014910417862
Energy: 1.429280655888639
Energy: 1.751588122810005
Energy: 1.4397901601303034
Energy: 1.4538302523079127

minimum gb energy = 1.2307126612544836 eV
minimum distance =  2.51852611657411 Angstroms
sigma value = 33


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

Energy: 0.021443149849899774
Energy: 0.8851517020641048
Energy: 0.02339192603955356
Energy: 0.02445963165189931
Energy: 0.8870524514417266
Energy: 0.022116897270661073
Energy: 0.8018388067144663
Energy: 0.13589228466848544
Energy: 0.13342922955793443
Energy: 0.13354208641860296
Energy: 0.13308436969664217
Energy: 0.13305890725186645
Energy: 1.5487413040418805
Energy: 0.8850136351641762
Energy: 0.8829261428499569
Energy: 0.8819790398292501
Energy: 1.3790253304962634
Energy: 0.8840280495516311
Energy: 0.02249439391806068
Energy: 0.13589228466814973
Energy: 0.13342922955793443
Energy: 0.13354208641860296
Energy: 0.13308436969664217
Energy: 0.13305890725224415

minimum gb energy = 0.021443149849899774 eV
minimum distance =  2.73564578984524 Angstroms
sigma value = 1