Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.158251941204071
cohesive_energy=6.380583344111484
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.1436963145256598e-19, 3.22388380116846e-19, 4.1129476371414e-19, 4.864704935580539e-19, 5.51441960420022e-19, 6.09746770307916e-19, 6.6340526795721e-19, 7.1158592369485795e-19, 7.55405454634758e-19, 7.9474850405926185e-19, 8.30030035716576e-19, 8.6158650669984e-19, 8.89699900096638e-19, 9.146025315189e-19, 9.3649627522251e-19, 9.555557684605739e-19, 9.719332180133219e-19, 9.857616045413759e-19, 9.971594891156519e-19, 1.006232615393994e-18, 1.0132677729938879e-18, 1.018277779328406e-18, 1.021232193041502e-18, 1.022201509905072e-18, 1.0211472776799e-18, 1.017707404446702e-18, 1.0114124524517159e-18, 1.0016888424599698e-18, 9.87849240695478e-19, 9.690525044253899e-19, 9.442684340740439e-19, 9.13303166268726e-19, 8.74121936684256e-19, 8.246867766421859e-19, 7.63832903729598e-19, 6.873017324533199e-19, 5.912688671879939e-19, 4.70804410430802e-19, 3.1948523605603796e-19, 1.2882589617471118e-19, -1.1190002156014498e-19, -4.1638007235045597e-19, -8.07383268994986e-19, -1.3141661579188918e-18, -1.9748108755357197e-18, -2.85485445705924e-18, -4.04831583172584e-18, -5.700816833799779e-18, -8.04927132215064e-18, -1.148994564366564e-17, -1.6773988269662998e-17, -2.53538043623964e-17, -4.0426921917404994e-17, -7.00540517980062e-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: 0.01611960934128651
Energy: 0.01715911463474531
Energy: -2.294668502489122
Energy: -2.294788836712107
Energy: -2.294652377915455
Energy: 0.01615931240439272
Energy: 0.017159114635567064
Energy: -1.305745191414636
Energy: -2.2946009271962513
Energy: -2.29464921626298
Energy: -2.2945535625290163
Energy: -2.294722562904387
Energy: -2.294668502490309
Energy: -2.29460092719543
Energy: -1.295012848529996
Energy: 0.016371672336859974
Energy: -2.2948791785119553
Energy: -2.2946613763822956
Energy: -2.294788836712107
Energy: -2.294649216269372
Energy: 0.016371672338069774
Energy: 0.01643442934282989
Energy: -2.2948565532693426
Energy: -2.2947741508698636
Energy: -2.2946523779162304
Energy: -2.294553562530614
Energy: -2.2948791785131424
Energy: -2.2948565532701193
Energy: -1.2864863161232996
Energy: -2.2947834219881655
Energy: 0.016159312403593796
Energy: -2.2947225629031993
Energy: -2.2946613763811095
Energy: -2.294774150871462
Energy: -2.2947834219889414
Energy: 0.016189562963527217

minimum gb energy = -2.2948791785131424 eV
minimum distance =  2.73462711919905 Angstroms
sigma value = 1


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

Energy: 2.520807133094021
Energy: 2.0939424163473728
Energy: 2.2540529541044303
Energy: 2.2508367698763188
Energy: 2.2549209094525806
Energy: 2.093527772381487
Energy: 2.5125384822627175
Energy: 2.0643523329396976
Energy: 2.2596537462310784
Energy: 2.3388299551480993
Energy: 2.255912773754494
Energy: 2.127676445078494
Energy: 2.5797436127382003
Energy: 2.138442310703474
Energy: 2.0661684039254418
Energy: 2.429089044593162
Energy: 2.1539914468872055
Energy: 2.143869364792283
Energy: 2.5943026751396974
Energy: 2.1249836339929105
Energy: 2.015783671594597
Energy: 2.433493597021514
Energy: 2.1443762115976455
Energy: 2.134572194896697
Energy: 2.5581033366380352
Energy: 2.1463952457437174
Energy: 2.058042046281392
Energy: 2.3175187561021287
Energy: 1.9858712155343947
Energy: 2.157351914737301
Energy: 2.538318713041809
Energy: 1.9115035793815296
Energy: 2.2549955490554305
Energy: 2.2496558802336497
Energy: 1.946693058298667
Energy: 1.9285916739115225
Energy: 2.53751459238287
Energy: 1.9303129283499652
Energy: 1.9172268083460324
Energy: 1.9228052170695633
Energy: 1.94535177292549
Energy: 1.9306862809755254
Energy: 2.534879577345495
Energy: 2.0790502051534614
Energy: 2.252477202522777
Energy: 2.3348092124723183
Energy: 1.9454769989695408
Energy: 2.074592384875488
Energy: 2.4795712522815134
Energy: 1.9595360061912648
Energy: 1.9880073647773489
Energy: 2.16616241144538
Energy: 1.9911135596100786
Energy: 1.9500589186183304
Energy: 2.4743472347102853
Energy: 1.9896051080020847
Energy: 1.9901967549546462
Energy: 2.16733777636995
Energy: 1.9803654021113402
Energy: 1.944701784490435
Energy: 2.5835706225890993
Energy: 1.894122513378042
Energy: 2.1776366598574888
Energy: 2.1671614823074656
Energy: 2.1755511110699044
Energy: 1.8600698807458593
Energy: 2.7256286266265684
Energy: 1.8749217356278836
Energy: 1.8260486021726003
Energy: 2.193071642022634
Energy: 1.8636289067932563
Energy: 1.8896800205179658
Energy: 2.7340040498397795
Energy: 1.8749068390756092
Energy: 1.8362389884123536
Energy: 2.1910401677417037
Energy: 1.8646144347602882
Energy: 1.8899311616446788
Energy: 2.584430834629606
Energy: 1.88679913569856
Energy: 2.1797006127579217
Energy: 2.160831322469424
Energy: 2.16056493510973
Energy: 1.8932700610370614
Energy: 2.5093716092845297
Energy: 2.1522676415845075
Energy: 2.1439993559710033
Energy: 2.158665355416133
Energy: 2.134409106535356
Energy: 2.013165060824395
Energy: 2.5138569989654433
Energy: 2.1497473197480867
Energy: 2.12746473123036
Energy: 2.1499884107756304
Energy: 2.1348251593652035
Energy: 1.8554454903314457
Energy: 2.528873947407886
Energy: 1.8643976712120538
Energy: 2.353359686521523
Energy: 2.3453790565700796
Energy: 1.9218477636309714
Energy: 1.8648084792507365
Energy: 2.736802191167726
Energy: 1.9358554518789315
Energy: 1.9297209305955887
Energy: 1.9277753913690203
Energy: 1.9256211727871846
Energy: 1.9196881039360163
Energy: 2.7380715293939177
Energy: 1.9254896686035678
Energy: 2.3447317954150657
Energy: 2.347110158153314
Energy: 1.9228328970639703
Energy: 1.918223320700069
Energy: 2.559958821260783
Energy: 1.9872676783147731
Energy: 2.173435793785827
Energy: 2.352325153763889
Energy: 1.975200220586947
Energy: 2.1470176407659145
Energy: 2.5983777177817564
Energy: 1.982147349527696
Energy: 1.9451211322767732
Energy: 2.35649696197728
Energy: 1.965689347339397
Energy: 1.9654975715589793
Energy: 2.577394216071599
Energy: 1.9743343099909532
Energy: 1.9577651427326384
Energy: 2.393987471121111
Energy: 1.970430614191454
Energy: 2.1481413676021086
Energy: 2.5179496923038904
Energy: 2.0664519861092674
Energy: 2.2570550387580046
Energy: 2.2469699029488734
Energy: 2.256277521951981
Energy: 2.123027785666726

minimum gb energy = 1.8260486021726003 eV
minimum distance =  2.53425799062489 Angstroms
sigma value = 33


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

Energy: 2.6088583912290777
Energy: 2.1939930496897433
Energy: 2.26272928340724
Energy: 2.25072330771604
Energy: 2.263431993288962
Energy: 2.0657905534054346
Energy: 2.5703231525961328
Energy: 2.083507843820564
Energy: 2.3174468280777787
Energy: 2.4091762012507165
Energy: 2.342451723524296
Energy: 2.094076328223868
Energy: 2.614604234658895
Energy: 2.0913068834937283
Energy: 2.197024270108534
Energy: 2.480980371944283
Energy: 2.0839819793992787
Energy: 2.0572853635344175
Energy: 2.9228599012462464
Energy: 2.0664210994255847
Energy: 2.100968574829065
Energy: 2.4817564027483883
Energy: 2.075061482213689
Energy: 2.2441143616295163
Energy: 2.6135652138868126
Energy: 2.0880979481588047
Energy: 2.260955950987248
Energy: 2.3920924223139846
Energy: 2.2143506751772684
Energy: 2.089895657549627
Energy: 2.721852810089916
Energy: 1.9562170558699445
Energy: 2.13613834017079
Energy: 2.308501549998939
Energy: 1.9395911713823455
Energy: 1.954214126446276
Energy: 2.7210099587878034
Energy: 1.9383244744679098
Energy: 1.9555495959263376
Energy: 2.0102641568387423
Energy: 1.961599965644298
Energy: 1.9556282290329416
Energy: 2.617079647770628
Energy: 2.261116004056265
Energy: 2.3209667002321948
Energy: 2.3669891428529697
Energy: 1.9607434901609353
Energy: 2.257640055463252
Energy: 2.6094751072559466
Energy: 2.0990370197488133
Energy: 2.09101668121264
Energy: 2.077407672984701
Energy: 2.090681089964264
Energy: 2.2982334310215853
Energy: 2.6106278015127655
Energy: 2.0922076507404666
Energy: 2.0836247964698273
Energy: 2.07746459989557
Energy: 2.085513374545282
Energy: 2.00995738889377
Energy: 2.617385769269581
Energy: 2.2637234861893116
Energy: 2.087981688170381
Energy: 2.3076325642809192
Energy: 2.096702265790026
Energy: 2.328751982188827
Energy: 2.6184414380400773
Energy: 2.310976229349204
Energy: 2.2718874674974083
Energy: 2.5302774476464274
Energy: 2.3249148398189603
Energy: 2.3032396154313095
Energy: 2.701979554514071
Energy: 2.3140899769280714
Energy: 2.2623816221259982
Energy: 2.5287774563057095
Energy: 2.326979868138504
Energy: 2.3077376865026853
Energy: 2.6226563696911955
Energy: 2.266631316703076
Energy: 2.0991127683799293
Energy: 2.410978808499639
Energy: 2.0909502558825093
Energy: 2.3659693096672734
Energy: 2.6983966426620163
Energy: 1.9474506797353417
Energy: 1.950771092854066
Energy: 2.0779721348364806
Energy: 1.9768267275980127
Energy: 1.9694348929898073
Energy: 2.613354764515945
Energy: 1.9687246585030063
Energy: 1.9669502919821014
Energy: 2.075939114468757
Energy: 1.979340728618536
Energy: 2.378850697702765
Energy: 2.6237740294521688
Energy: 2.4066303646582803
Energy: 2.091329842625879
Energy: 2.3585841338845075
Energy: 1.9745128717664793
Energy: 2.3558246799153344
Energy: 2.617296148188797
Energy: 1.9700012744129707
Energy: 1.9658151590145414
Energy: 1.9646070706492653
Energy: 1.9745198994708
Energy: 2.0115901096402626
Energy: 2.6139759292337232
Energy: 1.9718107457851888
Energy: 1.9607297257545928
Energy: 2.0712477384078802
Energy: 1.974834877422371
Energy: 1.9678914720436713
Energy: 2.707220279418915
Energy: 2.3401928260693943
Energy: 2.089147917894897
Energy: 2.6353147510393407
Energy: 2.071465908025823
Energy: 2.318832107002846
Energy: 2.700703247496188
Energy: 2.3181777513723185
Energy: 2.216797004654093
Energy: 2.5295325677962017
Energy: 2.3112635649787685
Energy: 2.318215836935577
Energy: 2.6193751738056408
Energy: 2.3189135381950474
Energy: 2.0846595933283703
Energy: 2.486709360149492
Energy: 2.308055200835354
Energy: 2.3035398993071388
Energy: 2.6144045850705973
Energy: 2.204198372212924
Energy: 2.092153998687147
Energy: 2.4166323220001114
Energy: 2.0940565775516347
Energy: 2.2634714224434673
Energy: 2.6108952132406777
Energy: 2.22307658423
Energy: 2.07123255751069
Energy: 2.0763742579526285
Energy: 2.2261164779311704
Energy: 2.043434540299372
Energy: 2.614522495166114
Energy: 2.2126490395123692
Energy: 2.091170380174903
Energy: 2.0786648533651206
Energy: 2.091422640626025
Energy: 2.2623858228871994
Energy: 2.6171493689205154
Energy: 1.9512203405564184
Energy: 1.9534429323477536
Energy: 2.3199538870117906
Energy: 1.963378326555601
Energy: 2.3284349222797673
Energy: 2.7891755410619403
Energy: 1.9566584058816985
Energy: 1.9556437149670702
Energy: 2.3241332843424978
Energy: 1.9600926365302611
Energy: 1.9569409533293318
Energy: 2.6169027772016826
Energy: 1.9543027171703653
Energy: 2.33121420937379
Energy: 2.4097477806447656
Energy: 1.959601577043641
Energy: 2.318886841241528
Energy: 2.935999093636081
Energy: 2.0922313463454505
Energy: 2.278033140728311
Energy: 2.4346437246411816
Energy: 2.0995217822240946
Energy: 2.0934513929251084
Energy: 2.934405286340882
Energy: 2.227049350499174
Energy: 2.0091897269156123
Energy: 2.053058957958406
Energy: 2.0569741609072985
Energy: 2.0673931485889603
Energy: 2.613435732801606
Energy: 2.0968458896482134
Energy: 2.2624432533485943
Energy: 2.3200349405407525
Energy: 1.9595419436260286
Energy: 2.097981935764701
Energy: 2.6074476639380455
Energy: 2.2684674350336675
Energy: 2.312556719148687
Energy: 2.3067685707955516
Energy: 2.3213431530414947
Energy: 2.3652228409243015
Energy: 2.6013048802244603
Energy: 2.327636696764726
Energy: 2.3197893989344975
Energy: 2.310839672763103
Energy: 2.321226663665966
Energy: 2.1414271833621172
Energy: 2.6135271071106003
Energy: 2.0976718457295918
Energy: 2.3333783158322885
Energy: 2.404301272911864
Energy: 2.26142236110461
Energy: 2.1042081991023656
Energy: 2.614438177210408
Energy: 1.978472452780267
Energy: 1.9505520320509049
Energy: 2.3700967169823843
Energy: 1.9684625085605105
Energy: 2.093065721264287
Energy: 2.924821769735564
Energy: 1.9821559200690781
Energy: 1.968369176836959
Energy: 2.3822353248092822
Energy: 1.9690389635380103
Energy: 1.9661058990704086
Energy: 2.6140449273550406
Energy: 2.0923984549552213
Energy: 2.3552832346706927
Energy: 2.3518905842257345
Energy: 2.3558491346930412
Energy: 2.063913158642324
Energy: 2.9268672244108727
Energy: 1.9793976839938556
Energy: 1.9689509166284003
Energy: 2.4643379264049896
Energy: 1.9718058911870093
Energy: 1.9670589059376917
Energy: 2.614346496551522
Energy: 1.9744344897063981
Energy: 1.9697962370361866
Energy: 2.465226588723838
Energy: 1.9703546722586
Energy: 2.0810000629312357
Energy: 2.6140121209574083
Energy: 2.0871234432922874
Energy: 2.3183832906769104
Energy: 2.399596997064243
Energy: 2.2599862681619696
Energy: 2.09107362060161
Energy: 2.6083012889484243
Energy: 2.322393980803623
Energy: 2.300537079391242
Energy: 2.296344740038488
Energy: 2.306610941677395
Energy: 2.064073778841914

minimum gb energy = 1.9383244744679098 eV
minimum distance =  2.52884103295631 Angstroms
sigma value = 51


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

Energy: 5.618320581629092
Energy: 2.307601757816911
Energy: 2.5471094434379786
Energy: 2.4773848060082515
Energy: 2.5453420065997623
Energy: 2.320253684932088
Energy: 2.7391349989124127
Energy: 2.0810208087055924
Energy: 2.5063759688709837
Energy: 2.9059526597459695
Energy: 2.500746777155331
Energy: 2.4733772593498893
Energy: 2.5560648603911673
Energy: 2.4747147796804105
Energy: 2.1411275437146755
Energy: 2.8454993239212074
Energy: 2.463111674699687
Energy: 2.4762874325443467
Energy: 2.4631238599944054
Energy: 2.47072132020835
Energy: 2.452233643920082
Energy: 2.7379166490264537
Energy: 2.466464683505981
Energy: 2.4722920991165083
Energy: 2.469162814628768
Energy: 2.4725532976584517
Energy: 2.0110319185742305
Energy: 2.8507303339977086
Energy: 2.1668198886593997
Energy: 2.465349089652314
Energy: 2.464820099795575
Energy: 2.286298485813481
Energy: 1.9772230993840365
Energy: 2.845789546655276
Energy: 2.3875472279405683
Energy: 2.241910820312981
Energy: 2.4624390562880234
Energy: 2.3928898521720985
Energy: 2.3754428653168147
Energy: 2.1309657827321757
Energy: 2.3790927503847468
Energy: 2.3133415964276587
Energy: 2.4566134827719712
Energy: 2.4562434332668652
Energy: 1.9928024708000676
Energy: 2.8350295105555174
Energy: 2.0452152483337565
Energy: 2.4555871645176417
Energy: 2.462501494300978
Energy: 2.0159398310151326
Energy: 1.9948868821878747
Energy: 2.030342740675077
Energy: 2.0390351633252886
Energy: 2.454342666580202
Energy: 2.4554802778332707
Energy: 1.9781290035639354
Energy: 2.0187804240633906
Energy: 2.655304513211166
Energy: 2.066435856279845
Energy: 1.996502678298088
Energy: 2.467499413262233
Energy: 2.4525292106069525
Energy: 2.0628436964856145
Energy: 2.847161419652809
Energy: 2.0683838619552457
Energy: 2.458538631339891
Energy: 2.6233917613187083
Energy: 2.589348399880751
Energy: 2.596115268457315
Energy: 2.7383096433250596
Energy: 2.591395717855276
Energy: 2.4561357786630205
Energy: 2.457604060114231
Energy: 2.587545935773019
Energy: 2.5891165232227857
Energy: 2.7388485738142823
Energy: 2.5955096249724035
Energy: 2.5921473867502836
Energy: 2.5583996136982208
Energy: 2.462800501174255
Energy: 1.9883062947665486
Energy: 2.8455030770910796
Energy: 2.024609955601077
Energy: 2.5536841082866095
Energy: 2.489294528207595
Energy: 2.1848323895271347
Energy: 2.1851798345717337
Energy: 2.8933317874597977
Energy: 2.1860848373364705
Energy: 2.0646605235470403
Energy: 2.555365336954723
Energy: 2.1846903936327924
Energy: 2.183698448669671
Energy: 2.6101909037665725
Energy: 2.185845309317996
Energy: 2.467147435569352
Energy: 2.5691811870876324
Energy: 2.4745145898820735
Energy: 2.493692815279442
Energy: 2.847749430851307
Energy: 2.020238647040219
Energy: 2.4768812364822037
Energy: 2.7452822523080607
Energy: 2.492645828934963
Energy: 2.4729773618381117
Energy: 2.507156682790774
Energy: 2.4979430914662353
Energy: 2.311316442316644

minimum gb energy = 1.9772230993840365 eV
minimum distance =  2.52570648211815 Angstroms
sigma value = 19


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

Energy: 2.8770015351872478
Energy: 2.6578102356133915
Energy: 2.640875957583982
Energy: 2.670500962258109
Energy: 2.7837336153872627
Energy: 2.6566496064715217
Energy: 2.885516053809212
Energy: 2.3068651760926415
Energy: 2.651903999828869
Energy: 2.7910300180019725
Energy: 2.4044610799688773
Energy: 2.3429425237924266
Energy: 2.898874656215828
Energy: 2.3198081569035645
Energy: 2.2703146089886106
Energy: 2.791569098888307
Energy: 2.307242644594103
Energy: 2.3123797144818155
Energy: 2.900717040539555
Energy: 2.3398912722154783
Energy: 2.2993264367870396
Energy: 2.613170692760903
Energy: 2.330419241017815
Energy: 2.3257555377905046
Energy: 2.9031274117724197
Energy: 2.3356685372967
Energy: 2.44822583708474
Energy: 2.792474227845751
Energy: 2.3221714606714725
Energy: 2.2882612650154246
Energy: 2.902124232092555
Energy: 2.2599215325019473
Energy: 2.377404259597068
Energy: 2.796202574367131
Energy: 2.280876736411391
Energy: 2.2622967716048663
Energy: 2.902292753995377
Energy: 2.3169972176277462
Energy: 2.070145746015587
Energy: 2.060922894723085
Energy: 2.322651677232527
Energy: 2.309105742236512
Energy: 2.8871292188521123
Energy: 2.2376443514645197
Energy: 2.4073244697150105
Energy: 2.793645405661901
Energy: 1.881221474725302
Energy: 2.286146424610361
Energy: 2.8738315785607624
Energy: 2.305624514800795
Energy: 2.619110841106574
Energy: 2.7967291880938094
Energy: 2.5800747317319574
Energy: 2.2801922909308914
Energy: 2.8808481874826835
Energy: 2.627977736994649
Energy: 2.650042219420546
Energy: 2.6454822240519102
Energy: 2.6355641272695496
Energy: 2.422233231195751
Energy: 2.8859436105065273
Energy: 2.275796827758089
Energy: 2.6461542121272075
Energy: 2.6306233407049584
Energy: 2.4567475987900296
Energy: 2.3316708135658657
Energy: 2.901414328289725
Energy: 1.9457904048313706
Energy: 1.9666335392513432
Energy: 2.3286628851706728
Energy: 1.9250211199669123
Energy: 2.261500931004629
Energy: 2.8830206568412136
Energy: 1.938541307395816
Energy: 1.8911706365786747
Energy: 2.465985053743501
Energy: 1.9818635224993977
Energy: 1.8895488723107947
Energy: 2.888866258407888
Energy: 1.9107123579347136
Energy: 2.3380807092757054
Energy: 2.6255887441609427
Energy: 2.3133140355297948
Energy: 2.424207294878055
Energy: 2.8854646842090714
Energy: 2.5194701918616325
Energy: 2.3254705238139755
Energy: 2.8233977440882803
Energy: 2.3901910944115183
Energy: 2.6131667056502876
Energy: 2.7943097456215558
Energy: 2.6333433205742494
Energy: 2.6462060101917917
Energy: 2.8656902443309575
Energy: 2.6384940688377685
Energy: 2.6304915439971346
Energy: 2.8874996296551916
Energy: 2.420703447599856
Energy: 2.342246764530093
Energy: 2.6319625631956183
Energy: 2.3337798607634563
Energy: 2.6422693754196858
Energy: 2.5089453418727716
Energy: 2.302157619444714
Energy: 2.336112417023448
Energy: 3.0019092843859796
Energy: 2.311951312263398
Energy: 2.3014353944539567
Energy: 2.873861915998845
Energy: 2.3201051804641173
Energy: 2.3262378308275244
Energy: 2.3214001785935108
Energy: 2.329504920498271
Energy: 2.2796285447245808
Energy: 2.886890596021743
Energy: 2.450732746319147
Energy: 2.299094916523219
Energy: 3.004945874492236
Energy: 1.8403062716198293
Energy: 2.6436139146715916
Energy: 2.886222688144476
Energy: 2.3208096468243506
Energy: 2.244393052616325
Energy: 2.287845532251223
Energy: 2.255967136888048
Energy: 2.2905701599348576
Energy: 2.878319102587257
Energy: 2.3243381801371044
Energy: 2.3130903009250354
Energy: 2.630168185160163
Energy: 2.32779951882833
Energy: 2.0322278690331927
Energy: 2.8881167222593294
Energy: 2.403110353402127
Energy: 2.289534498231201
Energy: 2.625719823872078
Energy: 2.271835088597513
Energy: 2.640515616536711
Energy: 2.457612942961488
Energy: 2.631140009841817
Energy: 2.4147424345479016
Energy: 2.864985095241668
Energy: 2.60094377999958
Energy: 2.6284053515995613
Energy: 3.0534387851507927
Energy: 2.6159856850555463
Energy: 1.808368830015982
Energy: 2.8654806231348195
Energy: 2.6542459424306633
Energy: 2.615827794381466
Energy: 2.888490762941009
Energy: 2.271597606932956
Energy: 2.2724146277484656
Energy: 2.6260550376789387
Energy: 2.2465326406408246
Energy: 2.6378624181509744
Energy: 2.888942779144145
Energy: 1.9599619503047978
Energy: 1.8553631913224065
Energy: 2.3461886008515616
Energy: 1.932975232954883
Energy: 1.9221055479096916
Energy: 2.9031819325802397
Energy: 1.8562822374340393
Energy: 1.929037658005976
Energy: 2.0643736179316887
Energy: 1.972773598366202
Energy: 2.220261298759687
Energy: 2.88658494733349
Energy: 2.3274348840901395
Energy: 2.3837108124181636
Energy: 2.621700470833579
Energy: 2.41019779502219
Energy: 2.4516936594748695
Energy: 2.86385574116157
Energy: 2.366054541580139
Energy: 2.635210945020426
Energy: 2.6354058259220086
Energy: 2.63363460023761
Energy: 2.5538940271297674

minimum gb energy = 1.808368830015982 eV
minimum distance =  2.51810593145522 Angstroms
sigma value = 27


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

Energy: 3.779183595461229
Energy: 1.6097679277974781
Energy: 2.320803755619192
Energy: 2.785724599293355
Energy: 2.283997853814497
Energy: 1.6393725893045414
Energy: 2.8260118984905183
Energy: 1.3592128434535955
Energy: 2.3116995860608887
Energy: 2.803396916448348
Energy: 1.4448167472755813
Energy: 2.323065391185505
Energy: 2.843678580190458
Energy: 2.297920326693715
Energy: 1.506760917074703
Energy: 2.802276649474966
Energy: 2.30416904714483
Energy: 2.308577197609979
Energy: 2.8290310398401037
Energy: 2.288000961217016
Energy: 2.295987279865545
Energy: 2.1338325999541015
Energy: 2.3138136709554553
Energy: 2.2884360614149037
Energy: 2.846117199896597
Energy: 2.2952489741774507
Energy: 1.4401003325133068
Energy: 2.798524281243764
Energy: 1.370833024696593
Energy: 2.2796826153117222
Energy: 2.846495639342746
Energy: 2.277403743077672
Energy: 1.5172631836099362
Energy: 2.7978600872462027
Energy: 1.3507714898939287
Energy: 2.2889478984662457
Energy: 2.8461779000953427
Energy: 2.3191328184097393
Energy: 1.55514849313581
Energy: 1.4407570453475254
Energy: 2.3192024252298147
Energy: 2.270668303407008
Energy: 2.8440758130274637
Energy: 2.3107715430731206
Energy: 1.4083565262247328
Energy: 2.7979438297058445
Energy: 1.3643201760807764
Energy: 2.8062659254815365
Energy: 2.8452902892596956
Energy: 1.4027380784754795
Energy: 2.2946567179597865
Energy: 2.797171931792337
Energy: 2.2874120880832005
Energy: 0.8568745615972844
Energy: 2.8449017855313254
Energy: 2.3128936664573856
Energy: 2.2665017549769813
Energy: 2.3062849854283884
Energy: 2.294973762173786
Energy: 1.4165428199451957
Energy: 2.8441223459091205
Energy: 1.0635192704650591
Energy: 2.289151526520858
Energy: 2.799968474320074
Energy: 1.3792487118319636
Energy: 2.284403212461734
Energy: 2.8260118984375335
Energy: 1.4882919815140137
Energy: 2.2957383153475295
Energy: 2.8022392373171865
Energy: 1.3250726418882517
Energy: 1.4081483461999156

minimum gb energy = 0.8568745615972844 eV
minimum distance =  2.54707999400805 Angstroms
sigma value = 9


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

Energy: 3.437123853416927
Energy: 2.832872438895315
Energy: 2.849013799112565
Energy: 2.8749670600518877
Energy: 2.848726443276533
Energy: 2.663997393849132
Energy: 2.8506615029453535
Energy: 2.2713964569200975
Energy: 2.8478991105279627
Energy: 2.9146965388712363
Energy: 2.8443421525754147
Energy: 2.571741146985708
Energy: 2.91332212073245
Energy: 2.2589348302515773
Energy: 2.256457074782642
Energy: 3.0393879344024834
Energy: 2.2624685675307283
Energy: 2.8699291331912904
Energy: 2.8463210967672223
Energy: 2.2286028117296337
Energy: 2.2565849142085117
Energy: 2.968654383632337
Energy: 2.255797393824596
Energy: 2.215003796214765
Energy: 2.9663586578165013
Energy: 2.257811809887999
Energy: 2.2620275303654123
Energy: 2.8874589633633776
Energy: 2.262337271366238
Energy: 2.243413783408185
Energy: 2.9156822895803978
Energy: 2.8431529224997987
Energy: 2.270949434276623
Energy: 2.8832527401249908
Energy: 2.277237998593131
Energy: 2.84392650600272
Energy: 2.8569825895348178
Energy: 2.8478953512470424
Energy: 2.740339911650315
Energy: 2.5732518234402386
Energy: 2.848891043186265
Energy: 2.848125665262287
Energy: 2.8529668089648483
Energy: 2.8423574938646134
Energy: 2.269616059468366
Energy: 2.881590160379441
Energy: 2.2761587221090043
Energy: 2.8451958557588832
Energy: 2.863648456911129
Energy: 2.4346573798525046
Energy: 2.4350537017073357
Energy: 2.891385693019296
Energy: 2.4753956882487644
Energy: 2.41736312270448
Energy: 2.8641770342445265
Energy: 2.431604140629524
Energy: 2.4258861648405188
Energy: 3.0792136750847625
Energy: 2.428052340530777
Energy: 2.421922519597881
Energy: 2.8518470903099367
Energy: 2.4334110161856803
Energy: 2.4380042774839317
Energy: 2.9467340312000765
Energy: 2.4216920551677963
Energy: 2.732826231801878
Energy: 2.8557730149637526
Energy: 2.441364906846516
Energy: 2.7157923902129415
Energy: 2.91514887628775
Energy: 2.7136296912619273
Energy: 2.4355148056171423
Energy: 2.9616105757885
Energy: 2.716145781106983
Energy: 2.714913300039333
Energy: 2.8993324070878175
Energy: 2.713606884984788
Energy: 2.4907378102471704
Energy: 2.856453527128443
Energy: 2.416087822846517
Energy: 2.713503059781794
Energy: 2.883897181073855
Energy: 2.7131171075435114
Energy: 2.432690434849551
Energy: 2.8503962884928677
Energy: 2.4322021752283063
Energy: 2.713705129325966
Energy: 2.9026921283939378
Energy: 2.6923030232949867
Energy: 2.5845499044971927
Energy: 3.073845065605519
Energy: 2.711064660372297
Energy: 2.7113415674936605
Energy: 2.899329138053043
Energy: 2.7105226708810206
Energy: 2.6061394052495044
Energy: 2.84752514267759
Energy: 2.4405833996143733
Energy: 2.710006361627323
Energy: 2.9122447953918917
Energy: 2.711074352691963
Energy: 2.6235734808287736
Energy: 2.847716754734829
Energy: 2.446412671736479
Energy: 2.709586284279741
Energy: 2.8454122959112276
Energy: 2.426969064109746
Energy: 2.4223323610929532
Energy: 2.8641809156873816
Energy: 2.439491795930651
Energy: 2.4184691601900203
Energy: 2.3391227860104684
Energy: 2.4247528652441463
Energy: 2.4197555071230337
Energy: 2.8642054669359456
Energy: 2.4443251738226563
Energy: 2.4209796009368643
Energy: 2.853215793423438
Energy: 2.430773894689447
Energy: 2.424211307674259
Energy: 2.854651453648126
Energy: 2.5737823769648824
Energy: 2.2626060517116438
Energy: 2.849833069145848
Energy: 2.2754539261706133
Energy: 2.851324657315899
Energy: 2.854975370498274
Energy: 2.8469647192653134
Energy: 2.8298288350443332
Energy: 2.8430918169555284
Energy: 2.842541935569472
Energy: 2.8504209072811313
Energy: 2.9045362003940256
Energy: 2.8389625937494487
Energy: 2.2737468314646514
Energy: 2.8445161643711723
Energy: 2.5758154504733306
Energy: 2.8486693334123654
Energy: 2.915844960115724
Energy: 2.260417743946582
Energy: 2.2596097796158205
Energy: 2.8630245213336853
Energy: 2.2673765023347614
Energy: 2.8433736064215247
Energy: 2.9674413613019595
Energy: 2.2570081360502887
Energy: 2.2377408627057744
Energy: 2.852826905194826
Energy: 2.2581044798986722
Energy: 2.2567646207574996
Energy: 2.9155392330330345
Energy: 2.220290790239877
Energy: 2.2339054555008073
Energy: 2.846798089868009
Energy: 2.2578082751027346
Energy: 2.570902347489477
Energy: 2.9138993210508914
Energy: 2.2662458150619997
Energy: 2.8445437468248804
Energy: 2.910672428397207
Energy: 2.1937802449656396
Energy: 2.5741306702899354
Energy: 2.960413911295978
Energy: 2.843235463803476
Energy: 2.8459309419805288
Energy: 2.8719954524101343
Energy: 2.846486171431991
Energy: 2.7575060293795812
Energy: 2.858128431830878
Energy: 2.265592197956881
Energy: 2.850829917130728
Energy: 2.8542245972654094
Energy: 2.843885444441704
Energy: 2.498310620855375
Energy: 2.91552754886765
Energy: 2.26196472449578
Energy: 2.401276895410968
Energy: 2.8751416737475743
Energy: 2.4159804845173194
Energy: 2.710317586896187
Energy: 3.0780506322143495
Energy: 2.4335397609453273
Energy: 2.434673474097539
Energy: 2.3925921686906184
Energy: 2.4372013325649307
Energy: 2.433168380216329
Energy: 3.0782898833297687
Energy: 2.4274562778462188
Energy: 2.425752077941689
Energy: 2.8597774409208845
Energy: 2.4336688771687545
Energy: 2.2858175577213835
Energy: 2.9132443768586818
Energy: 2.7129007643868577
Energy: 2.4350510744179674
Energy: 2.8500090531950826
Energy: 2.435677753286938
Energy: 2.7235196720022254
Energy: 2.9145875344283607
Energy: 2.7089652892705907
Energy: 2.7097499416224653
Energy: 2.965345486359524
Energy: 2.7120158196157886
Energy: 2.7158908366827963
Energy: 2.9143182913715884
Energy: 2.709774243066519
Energy: 2.4188149017394838
Energy: 2.864474299519378
Energy: 2.7190713834572606
Energy: 2.715011133793201
Energy: 2.890833630941783
Energy: 2.589679431952264
Energy: 2.4343573956431546
Energy: 2.8482208273864535
Energy: 2.2161142160350358
Energy: 2.801889675951834
Energy: 2.9614928715742534
Energy: 2.709642602344877
Energy: 2.4395539200584686
Energy: 2.8482932603177518
Energy: 2.711200462086043
Energy: 2.7095954103959814
Energy: 2.9156930034041038
Energy: 2.7112156943866297
Energy: 2.5908978711886945
Energy: 3.074585345508371
Energy: 2.7132654614690574
Energy: 2.7126039828560264
Energy: 2.91378697364021
Energy: 2.711541423291001
Energy: 2.4410846601189227
Energy: 2.8505063922034326
Energy: 2.446781053191136
Energy: 2.7136639585959945
Energy: 2.9639662879650475
Energy: 2.423464334817607
Energy: 2.427100777526696
Energy: 2.857712691004095
Energy: 2.439881588215991
Energy: 2.424666208223785
Energy: 3.033891416068677
Energy: 2.4078826538614755
Energy: 2.430559527203767
Energy: 2.4000717790931647
Energy: 2.4468318347932754
Energy: 2.4340604513348785
Energy: 2.9157243063535363
Energy: 2.2560457916562444
Energy: 2.417704497405146
Energy: 2.8749426840157923
Energy: 2.43948879854927
Energy: 2.704711821551355
Energy: 2.8443834471003626
Energy: 2.277132807417811
Energy: 2.8810846393681158
Energy: 2.8517447354921446
Energy: 2.8385212278011815
Energy: 2.3095524653612354

minimum gb energy = 2.1937802449656396 eV
minimum distance =  2.51002941762591 Angstroms
sigma value = 57


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

Energy: 5.361146648775049
Energy: 2.4261972196412693
Energy: 2.509772632618136
Energy: 2.6009982298419896
Energy: 2.5126781844266906
Energy: 2.4242628873493626
Energy: 2.5919727457614545
Energy: 2.4076499347656424
Energy: 2.5086834440209596
Energy: 2.5957008433538613
Energy: 2.344546146247102
Energy: 2.3398063017002833
Energy: 2.637042026584038
Energy: 2.3857943871548017
Energy: 2.3925094081095466
Energy: 2.5884474301910037
Energy: 2.3822275146396663
Energy: 2.498691748777645
Energy: 2.5920915839757988
Energy: 2.3981214545064526
Energy: 2.3838838230056263
Energy: 2.584774590339525
Energy: 2.395689943759441
Energy: 2.573531291826285
Energy: 2.590149016896324
Energy: 2.3997284326130632
Energy: 2.3486896173211944
Energy: 2.5968303531612236
Energy: 2.396969733904914
Energy: 2.4959511637629723
Energy: 2.6369587664440286
Energy: 2.5130660207643403
Energy: 2.402732473335531
Energy: 2.5791275375160168
Energy: 2.3484911073566854
Energy: 2.518800606760628
Energy: 2.6007654883917417
Energy: 2.5113958349533028
Energy: 2.5071242253190684
Energy: 2.712413140064288
Energy: 2.515348021743213
Energy: 2.5082270057820573
Energy: 2.605743577277548
Energy: 2.508280286304864
Energy: 2.406035833195522
Energy: 2.5131382933259894
Energy: 2.348842978498287
Energy: 2.5005787402749715
Energy: 2.603701875605023
Energy: 2.3458969702766335
Energy: 2.343239276390952
Energy: 2.5982113904222564
Energy: 2.332670862118346
Energy: 2.590023970053033
Energy: 2.604320886542322
Energy: 2.502379437016787
Energy: 2.4241240685380436
Energy: 2.5935417529719333
Energy: 2.5009545981212375
Energy: 2.488230165170779
Energy: 2.6058181651220287
Energy: 2.5070206595014324
Energy: 2.408761437140293
Energy: 2.5920761586141197
Energy: 2.3519003647267223
Energy: 2.5974310215804772
Energy: 2.6094963568853067
Energy: 2.3402960484202593
Energy: 2.3552686104562977
Energy: 2.595699533799
Energy: 2.400647216645288
Energy: 2.483016171742148
Energy: 2.6054573285455898
Energy: 2.382921127569293
Energy: 2.3802906717242487
Energy: 2.508688030623605
Energy: 2.3883164370347503
Energy: 2.398132068262152
Energy: 2.6063591673058366
Energy: 2.383800940981646
Energy: 2.3826092355591717
Energy: 2.59228988938081
Energy: 2.386295686455034
Energy: 2.340073598108967
Energy: 2.635712070350016
Energy: 2.4018519927892577
Energy: 2.502221977401106
Energy: 2.605283775515258
Energy: 2.3029305734211336
Energy: 2.3391380525693117
Energy: 2.583377622230789
Energy: 2.5060315803288495
Energy: 2.5016446836486836
Energy: 2.598129467087885
Energy: 2.503096749496619
Energy: 2.612792009610291
Energy: 2.5852802034723816
Energy: 2.5128231055483785
Energy: 2.507099486760449
Energy: 2.5847045568548954
Energy: 2.5135719523907594
Energy: 2.4064680042828033
Energy: 2.6379489080727936
Energy: 2.4024150186537607
Energy: 2.498067564543607
Energy: 2.59411308287427
Energy: 2.336724250349992
Energy: 2.359224624947072
Energy: 2.6029293249587657
Energy: 2.348270452946965
Energy: 2.519063411045433
Energy: 2.5930055174882507
Energy: 2.5134099371559637
Energy: 2.3396018007556556

minimum gb energy = 2.3029305734211336 eV
minimum distance =  2.52018766007589 Angstroms
sigma value = 11


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

Energy: 2.2225223986755487
Energy: 2.2835333513260134
Energy: 2.2390491239704486
Energy: 2.2368846387784918
Energy: 2.272658498913261
Energy: 2.2826392740950787
Energy: 2.250275674203126
Energy: 2.3950302558482366
Energy: 2.300819619586097
Energy: 2.265524438956467
Energy: 2.2533487444531115
Energy: 2.3962948870102934
Energy: 2.237194424721661
Energy: 2.4024972605421526
Energy: 2.255032197936663
Energy: 2.2427355454804463
Energy: 2.3538096996077993
Energy: 2.3709487972608505
Energy: 2.2475464242554573
Energy: 2.343794931738623
Energy: 2.251864452106649
Energy: 2.2363258391452256
Energy: 2.353329145082383
Energy: 2.3042153399861856
Energy: 2.246452635864964
Energy: 2.3469836592287825
Energy: 2.2591828518448698
Energy: 2.264708043228829
Energy: 2.35394005008076
Energy: 2.3040431377779473
Energy: 2.241638108096356
Energy: 2.384319521998908
Energy: 2.3493365693528427
Energy: 2.301378225925675
Energy: 2.320670770953979
Energy: 2.238035918122982
Energy: 2.2403711924087295
Energy: 2.3797195662360675
Energy: 2.3379087754115475
Energy: 2.2351738580056857
Energy: 2.332566589275083
Energy: 2.274594468277891
Energy: 2.237875417382075
Energy: 2.3674790814832285
Energy: 2.3381606654630382
Energy: 2.2616134847198026
Energy: 2.3584613456739025
Energy: 2.370840800449616
Energy: 2.2764891446833966
Energy: 2.271899124204554
Energy: 2.3956491266319477
Energy: 2.2602350570412426
Energy: 2.3401386260698835
Energy: 2.271109958859709
Energy: 2.239609275468761
Energy: 2.2689406512488
Energy: 2.2738532853641122
Energy: 2.419452400731916
Energy: 2.2698677472738362
Energy: 2.275004037092237
Energy: 2.2424415815273573
Energy: 2.272461892464089
Energy: 2.3024954222305563
Energy: 2.2398250615999906
Energy: 2.302203226884115
Energy: 2.2691149844934135
Energy: 2.2372667672556434
Energy: 2.27132245312743
Energy: 2.394393893642295
Energy: 2.338270975013288
Energy: 2.2611448089824338
Energy: 2.2362080019399304
Energy: 2.240945255737488
Energy: 2.2919045445020334
Energy: 2.3554989051243
Energy: 2.2396427184711483
Energy: 2.296059242916387
Energy: 2.2406895109729525
Energy: 2.238196133563205
Energy: 2.272294380126608
Energy: 2.2964810616781532
Energy: 2.227704345966014
Energy: 2.274732159816215
Energy: 2.2411027458008066
Energy: 2.269300995074572
Energy: 2.2701000072409663
Energy: 2.3966595732578946
Energy: 2.262951641920031
Energy: 2.3444828689739583
Energy: 2.2647653725102446
Energy: 2.2513339729844972
Energy: 2.355328294725584
Energy: 2.3615685304388423
Energy: 2.280743757037659
Energy: 2.346282785555806
Energy: 2.2537894868150157
Energy: 2.2397224995682246
Energy: 2.339249230055159
Energy: 2.4251235760765235
Energy: 2.2423820343557237
Energy: 2.3380642662655475
Energy: 2.274069381917934
Energy: 2.2789581241775774
Energy: 2.36640824569374
Energy: 2.350543273383414
Energy: 2.248360361998769
Energy: 2.348260696083068
Energy: 2.2932937783826937
Energy: 2.2577608945121184
Energy: 2.327460346850465
Energy: 2.343427209674182
Energy: 2.288413592916836
Energy: 2.3779158951668085
Energy: 2.3449954059113303
Energy: 2.2418779076718427
Energy: 2.338654714576133
Energy: 2.25054707330052
Energy: 2.2691474870014896
Energy: 2.3498779833432435
Energy: 2.3429086564759016
Energy: 2.2468628220408466
Energy: 2.34433980489677
Energy: 2.3812743309156823
Energy: 2.2338411503614837
Energy: 2.3706101292480626
Energy: 2.3433155489267863
Energy: 2.2470026869789503
Energy: 2.3432766713340882
Energy: 2.271945773778859
Energy: 2.267491182892787
Energy: 2.276980255566678
Energy: 2.397087276525626
Energy: 2.2355827158256294
Energy: 2.2697700278031236
Energy: 2.267933553792978
Energy: 2.2357497810985336
Energy: 2.2712528606265847
Energy: 2.4266999864432095
Energy: 2.241842406252266
Energy: 2.257232019428993
Energy: 2.2782376246118767
Energy: 2.2386032060883614
Energy: 2.2963348743215097
Energy: 2.398702926222235
Energy: 2.289873428391937
Energy: 2.31759363485643
Energy: 2.237267003805849
Energy: 2.2363253186383636
Energy: 2.257095405156917
Energy: 2.3952658274239482
Energy: 2.235145974193876
Energy: 2.2941825398734355
Energy: 2.242904046236797
Energy: 2.238316645997661
Energy: 2.2772230034487158
Energy: 2.401051928688715

minimum gb energy = 2.2225223986755487 eV
minimum distance =  2.48099363972135 Angstroms
sigma value = 41


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

Energy: 1.9736548523663928
Energy: 2.0630119144872294
Energy: 1.922737021186954
Energy: 1.9230036994742197
Energy: 1.9815879403666201
Energy: 2.2545771366433227
Energy: 1.9226213825331844
Energy: 2.075272321642545
Energy: 1.9240678072023116
Energy: 1.9842904416203961
Energy: 1.9243188375995404
Energy: 2.138793388477805
Energy: 1.9224436189094354
Energy: 2.184942898599186
Energy: 1.922905692824575
Energy: 1.9951284061544845
Energy: 1.9233152512933813
Energy: 2.167931657600348
Energy: 1.925033250740184
Energy: 2.061640593236622
Energy: 1.9226631819162538
Energy: 1.9240865690194195
Energy: 2.1151361163691575
Energy: 2.2219195025146434
Energy: 1.923691920064764
Energy: 2.0769498536362923
Energy: 2.094414479342637
Energy: 1.9217479016545318
Energy: 1.9236162446073193
Energy: 2.2229161402192203
Energy: 2.0594976498014277
Energy: 2.193060301150666
Energy: 2.1418593070203684
Energy: 2.085706504505697
Energy: 2.0831466019616083
Energy: 2.1781754743708284
Energy: 1.9230493836875184
Energy: 2.0840241545447427
Energy: 2.1930916127240963
Energy: 2.1202021580295765
Energy: 2.1915696649004683
Energy: 2.140876347246046
Energy: 1.9251102256752641
Energy: 2.1926849336719196
Energy: 2.0839677203289555
Energy: 2.051553898481435
Energy: 2.170234751394718
Energy: 2.2329861692207142
Energy: 1.9232341871487122
Energy: 2.090144353332439
Energy: 2.1521900342855376
Energy: 2.021581277264996
Energy: 2.170821461919391
Energy: 2.0831425051555685
Energy: 1.9219915414519646
Energy: 2.108242603241339
Energy: 2.065579819792203
Energy: 1.930370938568474
Energy: 1.9222370682109429
Energy: 1.922842623488051
Energy: 1.9247590272366057
Energy: 2.05903300972954
Energy: 2.1690831365905217
Energy: 1.9294537436024641
Energy: 2.067775561401805
Energy: 1.922219855563433
Energy: 2.00832686131185
Energy: 1.9218801777130123
Energy: 2.1597236974183027
Energy: 2.165540603166723
Energy: 1.921584367221523
Energy: 1.9232952976905215
Energy: 1.920589722019274
Energy: 1.9235678550434574
Energy: 1.9217432952553826
Energy: 2.2461722302603406
Energy: 1.9231687660846606
Energy: 1.923526849493086
Energy: 1.9229753480535183
Energy: 1.9805737442535416
Energy: 1.937987401622354
Energy: 2.260434440775391
Energy: 1.9710763972159735
Energy: 1.9218472347588955
Energy: 1.92182239403998
Energy: 1.9229048513897027
Energy: 2.1358051776586677
Energy: 2.1710103559644565
Energy: 1.9663153430770035
Energy: 1.92211681950717
Energy: 1.9236991718106593
Energy: 1.9216963105412697
Energy: 2.079136074544373
Energy: 2.1709478098481023
Energy: 1.921473339798161
Energy: 1.9216883139670757
Energy: 1.9229487141070258
Energy: 1.9223435542436056
Energy: 1.9213819113680646
Energy: 1.9327499734470661
Energy: 1.9707948098324177
Energy: 1.922107887480264
Energy: 1.920593696302091
Energy: 1.9234255555010795
Energy: 2.078287080666298
Energy: 2.211279622330996
Energy: 1.9236595179978226
Energy: 1.9212671710743254
Energy: 2.006166080294742
Energy: 1.9712462059997236
Energy: 2.1554499290075486
Energy: 2.157755431830249
Energy: 1.922719177300445
Energy: 1.9233625328344344
Energy: 2.0034982399104218
Energy: 1.9216044421354432
Energy: 2.16151782925408
Energy: 2.2347798751710766
Energy: 2.0758913133057053
Energy: 1.9231789757811
Energy: 1.9226092427859849
Energy: 2.1120202233988623
Energy: 2.2337075759273617
Energy: 2.228968937994574
Energy: 2.1210557713843956
Energy: 1.9233229315032536
Energy: 1.922641162786047
Energy: 2.0888747076456062
Energy: 2.158813115514179
Energy: 1.9219222916769694
Energy: 2.170814736094263
Energy: 2.067704091464541
Energy: 2.058832026060187
Energy: 2.193420407367529
Energy: 2.085615375733122
Energy: 2.066969643383562
Energy: 2.170609959192902
Energy: 2.1965177606295465
Energy: 1.9416921179629392
Energy: 2.085454641766684
Energy: 2.193445633975037
Energy: 1.9225046803757655
Energy: 2.19193241687698
Energy: 2.135728798615033
Energy: 2.061591638543876
Energy: 2.193330965287751
Energy: 2.139500788421096
Energy: 1.9229333220096865
Energy: 2.1217388996585846
Energy: 2.181369448763943
Energy: 1.9490845128800773
Energy: 2.074648505650236
Energy: 2.049263230589178
Energy: 1.9215466323050916
Energy: 1.9235110210261435
Energy: 2.084388150978821
Energy: 1.9481989700175848
Energy: 2.0620822974975352
Energy: 1.9219991542878405
Energy: 1.9234704949228913
Energy: 2.0524962242314904
Energy: 2.074890217574903
Energy: 2.0614861311190382
Energy: 2.08552137539064
Energy: 1.9215088979996364
Energy: 1.9229969342233508
Energy: 1.9235987570400257
Energy: 2.167356545316076
Energy: 2.059455055196404
Energy: 1.9759291945784336
Energy: 1.9244840267820942
Energy: 1.9844487005015075
Energy: 1.9234185262983416
Energy: 2.129804424019385
Energy: 1.9382351475831094
Energy: 1.9817560526633562
Energy: 1.9817565058762914
Energy: 1.9231362680430704
Energy: 1.9806468654262515
Energy: 1.9376382496018847
Energy: 2.0601821777986005
Energy: 1.9646467134115337
Energy: 1.9554788956979916
Energy: 1.9243057186571269
Energy: 2.0434668541671868
Energy: 2.1242123880592167
Energy: 1.9230909643644383
Energy: 1.9232044412240108
Energy: 1.921180876142739
Energy: 1.9228877266832982
Energy: 1.965738865895111
Energy: 2.143051878094835
Energy: 1.9250927646759346
Energy: 1.9224014411366013
Energy: 1.9219445012950271
Energy: 1.923066592563696
Energy: 1.9217822888932303
Energy: 1.9234464818165424

minimum gb energy = 1.920589722019274 eV
minimum distance =  2.52810194554305 Angstroms
sigma value = 33


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

Energy: 1.5824870492947314
Energy: 1.678445594487316
Energy: 1.47821975805573
Energy: 1.4812966395040918
Energy: 1.5734038926213234
Energy: 1.8453526008084582
Energy: 1.4987708506611057
Energy: 1.6682900236973972
Energy: 1.475940851297593
Energy: 1.5798266887643029
Energy: 1.4686703416621714
Energy: 1.8183089331257798
Energy: 1.832572116112544
Energy: 1.662630402005476
Energy: 1.4712719338776115
Energy: 1.8491301567067913
Energy: 1.4694412504289034
Energy: 1.8231806136883888
Energy: 1.5677136359209047
Energy: 1.674323997283414
Energy: 1.4724025510203476
Energy: 1.4742328151714008
Energy: 1.478727137258817
Energy: 1.8436580025420946
Energy: 1.5668388789510854
Energy: 1.6656632713907331
Energy: 1.4708504570554768
Energy: 1.4700507106878113
Energy: 1.4693810807727725
Energy: 1.853288150793994
Energy: 1.4870884831008409
Energy: 1.8324346930510764
Energy: 1.6584163052001164
Energy: 1.6952166851039125
Energy: 1.6602101690416147
Energy: 1.8550390648187924
Energy: 1.4702528363425722
Energy: 1.8371568975472752
Energy: 1.8368365155278876
Energy: 1.6875647814118235
Energy: 1.835029920192801
Energy: 1.8342570082182064
Energy: 1.5153043168034732
Energy: 1.8236354119938314
Energy: 1.6571930447204866
Energy: 1.6854348443468485
Energy: 1.8244815411628925
Energy: 1.840167701180894
Energy: 1.4828472223222893
Energy: 1.833625449375429
Energy: 1.8344227981366255
Energy: 1.6698011255283236
Energy: 1.847988701571764
Energy: 1.8325333319286643
Energy: 1.6961897186919215
Energy: 1.8419888175441868
Energy: 1.85205893236689
Energy: 1.8385949435365663
Energy: 1.8387219189726138
Energy: 1.8403052979895673
Energy: 1.4806677199243707
Energy: 1.8622360987575872
Energy: 1.838202858828979
Energy: 1.8370162524131497
Energy: 1.8432617523621377
Energy: 1.8451970827505335
Energy: 1.4932069632616194
Energy: 1.8372262767711365
Energy: 1.8263652050619785
Energy: 1.7083186411200821
Energy: 1.8676016398996307
Energy: 1.8380449312829727
Energy: 1.4769666930621852
Energy: 1.8740200685840693
Energy: 1.8382330900317871
Energy: 1.8333139788209338
Energy: 1.8406388056665866
Energy: 1.661662494604828
Energy: 1.4720548373135072
Energy: 1.6632794089629224
Energy: 1.6646379074390774
Energy: 1.857423657328015
Energy: 1.823382177949052
Energy: 1.6662673653283193
Energy: 1.5012908992632312
Energy: 1.8285633914244148
Energy: 1.8330861242409329
Energy: 1.8434270974589182
Energy: 1.8378665311688522
Energy: 1.6972209248380214
Energy: 1.474383051466412
Energy: 1.653879914453355
Energy: 1.822202707967507
Energy: 1.8409671656860382
Energy: 1.6622907835662795
Energy: 1.6573158901141178
Energy: 1.4662246426176042
Energy: 1.743440275681471
Energy: 1.884500203850576
Energy: 1.8624230935277513
Energy: 1.7437896110476385
Energy: 1.4688779176393705
Energy: 1.4759152479114166
Energy: 1.4702732517739112
Energy: 1.6575500770393872
Energy: 1.8466151418970809
Energy: 1.661103258405766
Energy: 1.469073301391463
Energy: 1.8473411741599788
Energy: 1.471390988070707
Energy: 1.664934132633568
Energy: 1.8571844730833442
Energy: 1.6654440381616982
Energy: 1.4722671741367401
Energy: 1.4644506681089073
Energy: 1.4671093089579732
Energy: 1.4752662987015364
Energy: 1.847261840184044
Energy: 1.4698918739489488
Energy: 1.4760337810777804
Energy: 1.480047012456884
Energy: 1.4748005292100255
Energy: 1.4993388988024405
Energy: 1.8766497106010032
Energy: 1.583462593399201
Energy: 1.4748012726078654
Energy: 1.480224482931235
Energy: 1.4681195801629174
Energy: 1.8362192770409544
Energy: 1.8377031878680534
Energy: 1.4737436122199847
Energy: 1.4753698322287003
Energy: 1.4664148884483228
Energy: 1.469355120486395
Energy: 1.669909058059579
Energy: 1.829939884489031
Energy: 1.4715116414530987
Energy: 1.4697277138106175
Energy: 1.4819317591511545
Energy: 1.476173129182616
Energy: 1.5108005060383556
Energy: 1.8557529573677896
Energy: 1.5754880905174855
Energy: 1.4755304364205144
Energy: 1.4630752370746953
Energy: 1.5476368034018124
Energy: 1.6713092439193444
Energy: 1.8532616949815326
Energy: 1.4740461063345793
Energy: 1.4710177198440977
Energy: 1.523972913375211
Energy: 1.4709762372095603
Energy: 1.8246938765246272
Energy: 1.8496943341753997
Energy: 1.6644910920919198
Energy: 1.4707197246435968
Energy: 1.5200877284158667
Energy: 1.4722272640518148
Energy: 1.6621849247012221
Energy: 1.8451922898904487
Energy: 1.6706197898971378
Energy: 1.4725188972747179
Energy: 1.4681168673197527
Energy: 1.470383674143409
Energy: 1.8370817080531134
Energy: 1.8516589223802877
Energy: 1.7771626729169887
Energy: 1.4696378363214913
Energy: 1.4753497702575662
Energy: 1.6586191591522847
Energy: 1.835202337018223
Energy: 1.842729352034822
Energy: 1.6628827574374374
Energy: 1.6662795426811305
Energy: 1.5837915854054787
Energy: 1.831654298901494
Energy: 1.833319772636657
Energy: 1.832585176838894
Energy: 1.837412340905455
Energy: 1.8412575459122507
Energy: 1.5877223571150612
Energy: 1.6618650008573814
Energy: 1.8387896058269828
Energy: 1.8515696641741346
Energy: 1.8230365595273321
Energy: 1.662710958006218
Energy: 1.479325340520168
Energy: 1.8332624759719847
Energy: 1.8349447573359503
Energy: 1.8308878360929315
Energy: 1.8376109993878955
Energy: 1.844549304934726
Energy: 1.4765587953645785
Energy: 1.8411352625127548
Energy: 1.8400926713673293
Energy: 1.8396626081612146
Energy: 1.837224175588133
Energy: 1.8411802384005322
Energy: 1.4700468736498342
Energy: 1.8391164772435475
Energy: 1.8406176285791045
Energy: 1.84037913984762
Energy: 1.8399116783813612
Energy: 1.8393453465157488
Energy: 1.69507800408041
Energy: 1.8412482162427366
Energy: 1.8411628049928004
Energy: 1.842488106438371
Energy: 1.8213323983535055
Energy: 1.8387464777723461
Energy: 1.484053926966399
Energy: 1.8358798701013395
Energy: 1.8348608510777094
Energy: 1.6720572824153392
Energy: 1.8489127206125195
Energy: 1.8351725532249152
Energy: 1.5731289830944628
Energy: 1.8225239567117189
Energy: 1.6622008320718251
Energy: 1.6872067562075364
Energy: 1.82603130196538
Energy: 1.8456733907424163
Energy: 1.479810254009325
Energy: 1.83573312768312
Energy: 1.8347851738416179
Energy: 1.6982403943779334
Energy: 1.8347416839297346
Energy: 1.832502568218815
Energy: 1.8363243560552365
Energy: 1.661625417914745
Energy: 1.6580133764654639
Energy: 1.6986921711530596
Energy: 1.661883976820446
Energy: 1.8334981307933662
Energy: 1.5674603757797683
Energy: 1.4682480332824044
Energy: 1.4702489650706563
Energy: 1.4696026219271079
Energy: 1.4722626796889708
Energy: 1.8634811100731046
Energy: 1.49630704102402
Energy: 1.6650920207477808
Energy: 1.4695905693194975
Energy: 1.484398188913819
Energy: 1.4707403361964202
Energy: 1.6606681869098923
Energy: 1.8337657070297606
Energy: 1.6648633971498017
Energy: 1.4723451302530781
Energy: 1.473357308461854
Energy: 1.4716988516272813
Energy: 1.6597822825799669
Energy: 1.8831258638103474
Energy: 1.4704152765471314
Energy: 1.4716065113663335
Energy: 1.4691954701553236
Energy: 1.4719366562061755
Energy: 1.8241023703249368
Energy: 1.5700875528376084
Energy: 1.578370966755934
Energy: 1.4753258789419434
Energy: 1.479437638014821
Energy: 1.574612905807458
Energy: 1.8679470640890374
Energy: 1.842104017304426
Energy: 1.6825661045104696
Energy: 1.467566284440107
Energy: 1.472694803901559
Energy: 1.4676165639829226
Energy: 1.8280136532017586
Energy: 1.8357492793306993
Energy: 1.6782053209681027
Energy: 1.4714141514279382
Energy: 1.4776813104626134
Energy: 1.4718953516221303
Energy: 1.8263048361415746
Energy: 1.520971462527177
Energy: 1.4727527019568216
Energy: 1.4747369606159608
Energy: 1.4779532638643837
Energy: 1.4739110978045322
Energy: 1.8572889547363167

minimum gb energy = 1.4630752370746953 eV
minimum distance =  2.53911076068686 Angstroms
sigma value = 67


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

Energy: 0.32977269990090813
Energy: 0.32834916911490386
Energy: -1.8633023422916772
Energy: -1.8829795888317324
Energy: -1.8856616764941738
Energy: 0.3279951226667926
Energy: -1.040850550906378
Energy: -1.8551175838879395
Energy: -1.908987071653824
Energy: -1.9083422157292864
Energy: -1.8926949984038055
Energy: -1.8564769124489942
Energy: -1.943950017102837
Energy: -1.8884969527793631
Energy: -1.8338238682972872
Energy: -1.846477495999353
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Energy: -1.8832362646845155
Energy: -1.8650079512679083
Energy: -1.8505909724907754
Energy: -1.8362604463179348
Energy: 0.33009885836558783
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Energy: -1.9064545401811757
Energy: -1.8863861615852575
Energy: -1.8687739485579284
Energy: -1.9144051203003156
Energy: -3.106370749057942
Energy: -1.945829322555149
Energy: -1.8537709580445298
Energy: -1.8955261584869352
Energy: -1.864900078528718
Energy: -1.8616917458047342
Energy: -2.0015027148699733
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Energy: -1.8900793551065302
Energy: -1.8998553919049097
Energy: -1.8760165458110838
Energy: -1.8973624207206587
Energy: -1.9050335967691963

minimum gb energy = -3.1275803284675345 eV
minimum distance =  2.61571130827206 Angstroms
sigma value = 3


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

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Energy: -3.0314071059716525
Energy: -2.9527678083075086
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Energy: 1.8029629034203123
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Energy: 1.8256245907580397
Energy: 1.81391705868693
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Energy: 1.810901496045957
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Energy: 1.8014980339187283
Energy: 1.6637414206087888
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Energy: 1.8210414415813825
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Energy: 1.8252079649987702
Energy: 1.6500449716226768
Energy: 1.8303432435482874
Energy: 1.8128290678497063
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Energy: 1.8308554579517162
Energy: 1.6321437200435425
Energy: 1.824114467060617
Energy: 1.817049311485144
Energy: -2.7195504990013912
Energy: 1.8170990173980832
Energy: 1.828050777263128
Energy: -2.14595508036028
Energy: 1.8188446425458367
Energy: 1.815594980907205
Energy: -3.49785385838598
Energy: 1.8172716082714897
Energy: 1.6450871894809813
Energy: -2.5333040571340795
Energy: 1.6449654415625732
Energy: 1.8103744320476018
Energy: -1.6719487117627292
Energy: 1.83308886986512
Energy: 1.6192865717911398
Energy: -3.0178049392652135
Energy: -3.211258586781587
Energy: 1.8207082095715679
Energy: -0.9612141474475994
Energy: -1.823068929305227
Energy: 1.6217194477931591
Energy: -3.0161872641739866
Energy: 1.6219028506414475
Energy: 1.8324332569643904

minimum gb energy = -4.058125244176426 eV
minimum distance =  2.54735523195068 Angstroms
sigma value = 81


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

Energy: -0.7751917025547022
Energy: -0.04064035319522384
Energy: -1.22531578818703
Energy: -1.236345241810897
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Energy: 2.1631400433991925
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Energy: 2.1781359106615485
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Energy: 2.1967507003712723
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Energy: 2.1720406221294963
Energy: -0.77733690346447
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Energy: 2.17856906271436
Energy: -0.5848043400255
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Energy: 2.1943468277140123
Energy: -0.8175127992013795
Energy: 2.1909515160365918
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Energy: -1.19681201753953
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Energy: 2.188317339840227
Energy: -0.6051818460822
Energy: 2.1933343900869473
Energy: 2.2053898262456277
Energy: -1.693056554792933
Energy: 2.1934515674875654
Energy: 2.1768849820382243
Energy: -1.1576064549952452
Energy: 2.1880344407684693
Energy: -1.9466876080748967
Energy: -1.908391374169097
Energy: -0.9339072493760691
Energy: 2.145039416236683
Energy: -0.5460129582911399
Energy: 0.08579699789782795
Energy: -1.2991488079429385
Energy: -1.1943830079260798
Energy: -1.2476893410510084
Energy: 0.011449546722221942
Energy: -0.7684515511824025
Energy: 0.006007369424857811
Energy: -1.2535550304926777
Energy: -1.9777211290425245
Energy: -1.2163978104748385
Energy: 2.212487751700156
Energy: -0.49727301017638953
Energy: -1.2432704863685684
Energy: -1.1939398121063178
Energy: -1.1957709720352712
Energy: -0.9011417353596649
Energy: 2.2185776928724987

minimum gb energy = -1.9777211290425245 eV
minimum distance =  2.56420507087625 Angstroms
sigma value = 43


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

Energy: 1.7020078890376993
Energy: 1.7602400473900486
Energy: 1.7690164732721578
Energy: 1.7665740417088647
Energy: 1.7784079850206784
Energy: 2.5166049150456273
Energy: 1.7635259283822926
Energy: 2.421650834699615
Energy: 1.7602500483192527
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Energy: 2.4942947003281954
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Energy: 2.1307240306230146
Energy: 1.7640067197849865
Energy: 2.131528366512483
Energy: 2.5067857738227475
Energy: 1.7604964157094496
Energy: 2.4052241248287096
Energy: 1.7784094205686767
Energy: 1.7731508379873586
Energy: 1.7802855980751735
Energy: 2.3701985434139297
Energy: 1.7638797964929753
Energy: 2.422335493496673
Energy: 2.1376770970165633
Energy: 1.758000655320068
Energy: 2.132820990985761
Energy: 2.427809264039476
Energy: 1.740745611271314
Energy: 2.4167843479364852
Energy: 2.199216638287674
Energy: 1.7561829936558335
Energy: 2.4728832897041513
Energy: 1.781128949010567
Energy: 1.7670747315630921
Energy: 2.3872882248638945
Energy: 1.7847836804970034
Energy: 1.7536688065126678
Energy: 2.1300277484941144
Energy: 2.126356672195357
Energy: 1.755373957563476
Energy: 2.419908442210948
Energy: 2.4333227180632906
Energy: 1.7800970087691081
Energy: 2.4397311417620475
Energy: 2.422465093716915
Energy: 1.7626955123269805
Energy: 2.130388629218679
Energy: 2.4440767461121276
Energy: 1.7556627960330426
Energy: 2.423051523250718
Energy: 1.7834613637945922
Energy: 1.759915388218971
Energy: 2.4292433927096746
Energy: 2.4359567314854425
Energy: 1.7576238956436656
Energy: 2.451622130885656
Energy: 2.131175909936666
Energy: 1.7561415902916802
Energy: 1.765212111184734
Energy: 1.7574912284679236
Energy: 2.4652962935202685
Energy: 2.442322208303769
Energy: 1.7801161519378599
Energy: 1.762761295295888
Energy: 2.132027029080547
Energy: 2.129322302774157
Energy: 1.7613217088094102
Energy: 2.1261449849129437
Energy: 1.782276119640916
Energy: 1.7740845349046366
Energy: 1.7812418436083186
Energy: 2.129342105363586
Energy: 1.7817885980557011
Energy: 1.779949838363985
Energy: 1.7743634092867087
Energy: 1.7627921834164768
Energy: 1.787634946434038
Energy: 1.7524352522112414
Energy: 1.7102929266375875
Energy: 2.1345847836801304
Energy: 1.763875946471826
Energy: 1.7542037856081236
Energy: 1.7615134261235985
Energy: 2.1301322156123526
Energy: 2.4878084917644134
Energy: 1.7861856855155474
Energy: 1.76059333126133
Energy: 1.7591054465194875
Energy: 1.757541915665404
Energy: 2.401953370352987
Energy: 2.431527677207599
Energy: 1.778087696126019
Energy: 1.758096231000451
Energy: 1.758914830419145
Energy: 1.7629968738811144
Energy: 2.1303781601084735
Energy: 1.7382350870975616
Energy: 2.131435803358164
Energy: 1.7623389827377667
Energy: 1.76328754960848
Energy: 2.13168083844551
Energy: 2.129780467171434
Energy: 2.4713827827331714
Energy: 2.1315674183223328
Energy: 1.777288670173344
Energy: 1.7753265787656518
Energy: 1.7830345010237305
Energy: 2.39599628918569
Energy: 1.776211159490522
Energy: 1.7792848299472475
Energy: 1.7815485827712232
Energy: 1.7573342915733086
Energy: 2.1356246425865946
Energy: 2.4238326985248664
Energy: 1.773849015694592
Energy: 2.130197949733908
Energy: 2.1346044152455748
Energy: 1.7543180760826564
Energy: 2.4208805555533117
Energy: 2.4677581851115167
Energy: 1.7385750985765056
Energy: 2.4465395926434796
Energy: 2.1353689325034115
Energy: 1.7688633673464245
Energy: 2.1308256352647197
Energy: 2.3844914470564706
Energy: 1.771220326925312
Energy: 2.4179736619811765
Energy: 2.1309159761489482
Energy: 1.7578663754666972
Energy: 2.432239034488738
Energy: 2.4145884029432456
Energy: 1.7570469227280445
Energy: 2.419323336474029
Energy: 2.1316594669514433
Energy: 1.7543444504911436
Energy: 2.4298305136373566
Energy: 2.376831309877266
Energy: 1.7846273158312216
Energy: 2.4278262770115573
Energy: 2.4182918607340045
Energy: 1.737317287342915
Energy: 2.4284057558888215
Energy: 1.7731325950617471
Energy: 1.761856274666634
Energy: 2.4325570620400856
Energy: 2.4273122496154187
Energy: 1.7374133777125254
Energy: 2.4189339119981557
Energy: 1.7742336934497724
Energy: 1.756691079857023
Energy: 1.7786412049868805
Energy: 2.4363773970810065
Energy: 1.7677420878363346
Energy: 2.4036677527749215
Energy: 2.1326246498278527
Energy: 1.7622450844952162
Energy: 2.1326645464931175
Energy: 1.781354013282707
Energy: 1.7708149690676176
Energy: 1.772139233523504
Energy: 1.7805537325139251
Energy: 1.7767111003088167
Energy: 1.7807295247784565
Energy: 2.3768306740155993
Energy: 1.6947248017881682
Energy: 2.131999815432593
Energy: 2.1331453888009775
Energy: 1.7622430199343613
Energy: 2.135231213112322
Energy: 2.50118110152897

minimum gb energy = 1.6947248017881682 eV
minimum distance =  2.56864120040701 Angstroms
sigma value = 57


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

Energy: 3.810926354921616
Energy: 1.9472341675132234
Energy: 1.966836689832079
Energy: 1.9660576755761319
Energy: 1.9728238327501326
Energy: 1.949391818675485
Energy: 1.9276650296085285
Energy: 1.970898915084596
Energy: 1.9518810606746142
Energy: 1.9487942637238926
Energy: 1.9520196647845443
Energy: 2.7796097253138297
Energy: 1.9504486392370677
Energy: 1.9735871744269176
Energy: 1.950205662098696
Energy: 1.9466922948004328
Energy: 1.949984180505915
Energy: 2.7991878439412257
Energy: 1.9267156720393812
Energy: 1.972142000272185
Energy: 1.9556314580333962
Energy: 1.9559289158937303
Energy: 1.957138450472917
Energy: 1.919957353504091
Energy: 1.9256284465160023
Energy: 1.9715488362328595
Energy: 1.9622092871466592
Energy: 1.9627379485247727
Energy: 1.9739231880113215
Energy: 1.9179691256248317
Energy: 1.950807171425512
Energy: 1.9746757673986506
Energy: 1.9646707364354448
Energy: 1.9721983209448373
Energy: 1.9733975109751198
Energy: 2.5129527277035186
Energy: 1.953745148330348
Energy: 2.7840138785187882
Energy: 1.9758418701571412
Energy: 1.9562919695721734
Energy: 1.9751885061270715
Energy: 2.5148054143476197
Energy: 1.9298794918396893
Energy: 2.4985189785768913
Energy: 2.520215201736769
Energy: 1.9549927725271559
Energy: 2.8062734372061495
Energy: 1.97412650616304
Energy: 1.954465611350642
Energy: 2.7834162057276464
Energy: 1.941893603043285
Energy: 1.9464197493756423
Energy: 2.76192337113846
Energy: 2.5243243543100364
Energy: 1.9562887662286113
Energy: 1.974267123143304
Energy: 2.5117184629997698
Energy: 1.952006389908255
Energy: 2.7813348881140914
Energy: 1.9619793604518918
Energy: 1.9685712081144464
Energy: 1.9651297656076963
Energy: 2.7815789433980043
Energy: 1.9513057476784132
Energy: 1.9763227676485677
Energy: 1.9568892399896778
Energy: 1.9646931878238139
Energy: 1.9645393027920048
Energy: 1.9715391463135135
Energy: 1.9274726269746316
Energy: 1.971185924197772
Energy: 1.9588265691574964
Energy: 1.9561497765201947
Energy: 1.9574617470614342
Energy: 1.938382707108525
Energy: 1.9450725950852257
Energy: 1.9719434327391954
Energy: 1.9563021235546594
Energy: 1.945535187095176
Energy: 1.950253595731842
Energy: 1.9779478218606732
Energy: 1.9510376057245213
Energy: 1.956552468802649
Energy: 1.950135841975431
Energy: 1.947082696845216
Energy: 1.9513420970935829
Energy: 1.9753716431980919
Energy: 1.9528470897233814
Energy: 1.970948321037378
Energy: 1.9513679475237002
Energy: 1.9617938109341084
Energy: 1.9608175897311355
Energy: 1.9185183119944658
Energy: 1.9314834258245908
Energy: 1.97198569872542
Energy: 1.9593199701546675
Energy: 1.9657223559899812
Energy: 1.976057930728584
Energy: 1.9727674057492866
Energy: 1.9542961062964441
Energy: 1.972752014036576
Energy: 1.9581850825283986
Energy: 1.9623803497813241
Energy: 1.9778444746731856
Energy: 2.7761812870361626
Energy: 1.9523857101104531
Energy: 1.9727579949151022
Energy: 1.9580860542946923
Energy: 1.9540678566887608
Energy: 1.9710446236326218
Energy: 1.9726851052806411
Energy: 1.9600076730719262
Energy: 2.7803706435538755
Energy: 1.965479302714649
Energy: 1.9554809092824637
Energy: 2.512712901704394
Energy: 1.9732655220383322
Energy: 1.9583350535902375
Energy: 2.7822911777302446
Energy: 2.5134736065029717
Energy: 1.942763591594493
Energy: 2.5078648136290855
Energy: 2.520605042984491
Energy: 1.9546663557249493
Energy: 2.515505631606693
Energy: 1.9410468292293583
Energy: 1.952636345593334
Energy: 2.782118517864025
Energy: 1.966075222509574
Energy: 1.959622969558787
Energy: 1.973986128553516
Energy: 2.514533980674567
Energy: 1.9508306302551346
Energy: 1.9773031010120599
Energy: 1.9723847602934803
Energy: 1.9609903512145777
Energy: 1.9746465277412213
Energy: 2.78834033160132
Energy: 1.9209500348437987
Energy: 1.9729740117964076
Energy: 1.9670828571901995
Energy: 1.9634398872875962
Energy: 1.9732543031977692
Energy: 1.949704163895334

minimum gb energy = 1.9179691256248317 eV
minimum distance =  2.56996142468492 Angstroms
sigma value = 17


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

Energy: 5.1834747739916756
Energy: 3.322219862741893
Energy: 2.24654501733053
Energy: 2.240191319914744
Energy: 2.247092586362946
Energy: 3.323652327518018
Energy: 2.212025469272326
Energy: 2.2524178025962898
Energy: 2.2267920990389762
Energy: 2.2272508830532796
Energy: 2.2267809070829965
Energy: 2.2327156872924565
Energy: 2.233320050340216
Energy: 2.2511563330873154
Energy: 2.2259258287453507
Energy: 2.223926095674139
Energy: 2.225196848411938
Energy: 2.2383194660380603
Energy: 2.199924026067982
Energy: 2.2492571189479884
Energy: 2.2317798793761567
Energy: 2.234476246722819
Energy: 2.2323241181412037
Energy: 2.4349442373815804
Energy: 2.198191782751411
Energy: 2.4388363869588803
Energy: 2.235928068294124
Energy: 2.239562036938414
Energy: 2.242352212781726
Energy: 2.434407621872627
Energy: 2.235912291051006
Energy: 2.4360548747832134
Energy: 2.242762709963453
Energy: 2.212065797579451
Energy: 2.2523816806666193
Energy: 2.244497609609338
Energy: 2.242109239405
Energy: 2.2485507370383244
Energy: 2.235898327316569
Energy: 2.236829729365113
Energy: 2.434577178459658
Energy: 2.233039728705797
Energy: 2.2440110523412025
Energy: 2.2585752509615196
Energy: 2.244036450636142
Energy: 2.2356028286992045
Energy: 2.2528134921018093
Energy: 2.2330742668529786
Energy: 2.2420565420050558
Energy: 2.2536319804227287
Energy: 2.2156704157270974
Energy: 2.2127509898773243
Energy: 2.248758696069555
Energy: 2.240741847396841
Energy: 2.2290124917392533
Energy: 2.2288518946677263
Energy: 2.4390149149852784
Energy: 2.2121152288806
Energy: 2.234817778803294
Energy: 2.2289158561905213
Energy: 2.2213772962533502
Energy: 2.2252227564949476
Energy: 2.252858715599928
Energy: 2.235001852429265
Energy: 2.2260654135198656
Energy: 2.225736610383318
Energy: 2.230678705242539
Energy: 2.230174673641402
Energy: 2.4372573622164166
Energy: 2.1997057207952446
Energy: 2.2507603201316058
Energy: 2.230290175695176
Energy: 2.2415558839149767
Energy: 2.246456137599441
Energy: 2.439789558278169
Energy: 2.2009997855270855
Energy: 2.2500877752047663
Energy: 2.2436557447718197
Energy: 2.2125704088064704
Energy: 2.2489862854994644
Energy: 2.435308014866412
Energy: 2.2349152380382926
Energy: 2.2515972780003004
Energy: 2.2079390982242706
Energy: 2.2386703488822013
Energy: 2.24523354516832
Energy: 2.2348805924182793
Energy: 2.2387237841284335
Energy: 2.433219040467861
Energy: 2.2341322339446426
Energy: 2.236156160355343
Energy: 2.4383273590160015
Energy: 2.2478013598659103
Energy: 2.232184071312468
Energy: 2.251065749616488
Energy: 2.2335500126850136
Energy: 2.214112951032599
Energy: 2.4391127732174476
Energy: 2.2441443606406857
Energy: 2.2429197577091005
Energy: 2.243863363922299
Energy: 2.214431642050353

minimum gb energy = 2.198191782751411 eV
minimum distance =  2.5547341283997 Angstroms
sigma value = 17


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

Energy: 6.227235195551069
Energy: 2.0538680469866075
Energy: 2.055767978504291
Energy: 2.0549573700696095
Energy: 2.0557249957854995
Energy: 2.053697523456538
Energy: 2.4162173127962694
Energy: 2.231544902099833
Energy: 2.232409832708385
Energy: 2.231118667770484
Energy: 2.2327187233024297
Energy: 2.220940770264856
Energy: 2.236829882762775
Energy: 2.2395631695785547
Energy: 2.2327746453103003
Energy: 2.230826946337164
Energy: 2.2321371975937803
Energy: 2.0510030680700084
Energy: 2.6931136443803463
Energy: 2.207750010165122
Energy: 2.2360318833454826
Energy: 2.2394100048600527
Energy: 2.2379810232164834
Energy: 2.2428746603548984
Energy: 2.244968311721487
Energy: 2.242552788185055
Energy: 2.244321777598995
Energy: 2.2418766446919283
Energy: 2.243626874625529
Energy: 2.24389718849391
Energy: 2.2374843780727103
Energy: 2.236505300622601
Energy: 2.0449634052772563
Energy: 2.0461192949238423
Energy: 2.2106519130841815
Energy: 2.236934194887055
Energy: 2.230659475408286
Energy: 2.233264093105859
Energy: 2.2458269316649786
Energy: 2.2403920515749096
Energy: 2.234351167203201
Energy: 2.232971476243581
Energy: 2.2299187968180214
Energy: 2.233044976871964
Energy: 2.2316126432838925
Energy: 2.2340717882538317
Energy: 2.2304388750515747
Energy: 2.2326092419579284
Energy: 2.238896757112213
Energy: 2.23438963572794
Energy: 2.3875334705004367
Energy: 2.8057318824041015
Energy: 2.2372698949167713
Energy: 2.2346112475695135
Energy: 2.8826147216748774
Energy: 2.234011044967348
Energy: 2.2326973459726562
Energy: 2.413142395961682
Energy: 2.2340605412516013
Energy: 2.2330897608624927
Energy: 2.887192154577462
Energy: 2.2336840802537545
Energy: 2.0513502255712464
Energy: 2.236842834782593
Energy: 2.7963909636063846
Energy: 2.2332349843058403
Energy: 2.9492838349008044
Energy: 2.234332465730615
Energy: 2.0489328848042305
Energy: 2.0565444826535884
Energy: 2.6583940743074534
Energy: 2.2353840105242684
Energy: 2.432210618641039
Energy: 2.050057479926026
Energy: 2.048622720036388
Energy: 2.5262683764953895
Energy: 2.0488209454390467
Energy: 2.2397207355585342
Energy: 2.0468663145332373
Energy: 2.050989963338702
Energy: 2.0518669640639904
Energy: 2.051830994982386
Energy: 2.0551750542690423
Energy: 2.43088798475981
Energy: 2.9549555193651487
Energy: 2.0487434617191735
Energy: 2.0487109352035406
Energy: 2.050391135041399
Energy: 2.0487291850658913
Energy: 2.4143456339267177
Energy: 2.4295194663259947
Energy: 2.0477169663937747
Energy: 2.0480279041275553
Energy: 2.047825759218551
Energy: 2.048144450415715
Energy: 2.0537889932548254
Energy: 2.2364459390568587
Energy: 2.0498049446999596
Energy: 2.049192977250784
Energy: 2.05221877694152
Energy: 2.049390765847152
Energy: 2.23765097521805
Energy: 2.2408698784037138
Energy: 2.6575519345614604
Energy: 2.0496746925862492
Energy: 2.6840697638278965
Energy: 2.049817479032281
Energy: 2.2386770848405013
Energy: 2.4306944806697066
Energy: 2.799037645058266
Energy: 2.048632714811664
Energy: 2.0452132587900573
Energy: 2.0488787200257055
Energy: 2.240328696663156
Energy: 2.880269705247994
Energy: 2.2343506268511057
Energy: 2.0497414286425926
Energy: 2.6840866638580296
Energy: 2.6566896910903126
Energy: 2.234967124764281
Energy: 2.903402000655088
Energy: 2.232127272021432
Energy: 2.6608848231441615
Energy: 2.237245993647805
Energy: 2.2327141761115827
Energy: 2.2311616039410618
Energy: 2.240873302248048
Energy: 2.2347798095090092
Energy: 2.045773708671896
Energy: 2.4221465593953
Energy: 2.235570267868804
Energy: 2.234971209346413
Energy: 2.232365980901858
Energy: 2.234132584494099
Energy: 2.2328168259714762
Energy: 2.9540048323242853
Energy: 2.2347230902231128
Energy: 2.2327614512616654
Energy: 2.2318569708736784
Energy: 2.2337169153735505
Energy: 2.0520440870506937
Energy: 2.239899776860115
Energy: 2.230592423641742
Energy: 2.2335518475266993
Energy: 2.233508036517041
Energy: 2.2347225808103777
Energy: 2.243615150321176
Energy: 2.769904036873823
Energy: 2.2396113237663733
Energy: 2.233535638863979
Energy: 2.240108011293084
Energy: 2.2080690079458267
Energy: 2.2415003699862996
Energy: 2.6086306830473123
Energy: 2.2105452476977825
Energy: 2.2391067388569863
Energy: 2.0488435474283913
Energy: 2.2086191905091863
Energy: 2.238433092985243
Energy: 2.2382692608316592
Energy: 2.2077120738498603
Energy: 2.044883887556864
Energy: 2.0481955828862426
Energy: 2.2091738621157853
Energy: 2.234164701009064
Energy: 2.235415737144404
Energy: 2.2350807467625584
Energy: 2.240218195789523
Energy: 2.2369191406738116
Energy: 2.2331179686848976
Energy: 2.2304230418939266
Energy: 2.2424851819820013
Energy: 2.232149511190341
Energy: 2.052397658329887
Energy: 2.234619656671105
Energy: 2.2350609695705317
Energy: 2.234262640609157
Energy: 2.235483171322077
Energy: 2.2340525809278917
Energy: 2.3851898071295263
Energy: 2.2337993662832663
Energy: 2.235733406493388
Energy: 2.2346326636377523
Energy: 2.243189680140124
Energy: 2.2355337959613912
Energy: 2.3879455997726535
Energy: 2.235174934339909
Energy: 2.232008937109794
Energy: 2.231357558834305
Energy: 2.231646341863579
Energy: 2.234027795484205
Energy: 2.0529082940397223
Energy: 2.6844270387907785
Energy: 2.049397067687122
Energy: 2.2351797308346826
Energy: 2.879658700048916
Energy: 2.2340138046500497
Energy: 2.0495937195469365
Energy: 3.2662292336170897
Energy: 2.0492591434852065
Energy: 2.237844176432309
Energy: 2.4322550589265415
Energy: 2.660181462224144
Energy: 2.0490083078993675
Energy: 2.0524076961199746
Energy: 2.0498928189475163
Energy: 3.144097388946835
Energy: 2.049597315632403
Energy: 2.050049366663707
Energy: 2.0553118290473
Energy: 2.0503773116472597
Energy: 2.049287788570756
Energy: 2.6579799866197527
Energy: 2.049371281402271
Energy: 2.049350014528034
Energy: 2.049028526858004
Energy: 2.044955941911233
Energy: 2.0480491362353463
Energy: 2.7406050295846676
Energy: 2.430265998800528
Energy: 2.047774776610518
Energy: 2.0478910283655773
Energy: 2.0484583139062984
Energy: 2.0486947041148715
Energy: 2.401742107603294
Energy: 2.950675729064675
Energy: 2.0485476822650344
Energy: 2.0485695712116025
Energy: 2.052342338756634
Energy: 2.054981888957557
Energy: 2.236101076439867
Energy: 2.259990996669305
Energy: 2.0513036957763258
Energy: 2.052191950472643
Energy: 2.6326611725310243
Energy: 2.0486307601731024
Energy: 2.39259493931583
Energy: 2.432263920279432
Energy: 2.0500129262488693
Energy: 2.0485908341433787
Energy: 2.686259326094889
Energy: 2.049045255999906
Energy: 2.2343715832828352
Energy: 2.8721405595672658
Energy: 2.798519293510842
Energy: 2.0490470737522144
Energy: 2.7634458688855537
Energy: 3.1011659958218365
Energy: 2.232761433818917
Energy: 2.2320486375667943
Energy: 2.231361210715825
Energy: 2.052394918140887
Energy: 2.952770767546827
Energy: 2.2325679026236522
Energy: 2.2331192738188075
Energy: 2.882051761294099
Energy: 2.234287701556062
Energy: 2.045419524202254

minimum gb energy = 2.044883887556864 eV
minimum distance =  2.57895574574665 Angstroms
sigma value = 57


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

Energy: -1.164831848930091
Energy: -0.9465505091038946
Energy: -1.0986587159913903
Energy: -1.108726450558856
Energy: -1.1016596068461872
Energy: -0.954600340772648
Energy: -1.6901825709179439
Energy: -1.086802420646694
Energy: -1.0762207907475345
Energy: -1.3134837050453263
Energy: -1.0680237392608236
Energy: -0.7853426844351272
Energy: -1.7988150393447233
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Energy: -1.086649028352395
Energy: -1.0793099016965249
Energy: -1.0857517035575546
Energy: -1.8355440290060456
Energy: -1.4867691411758912
Energy: -1.8457223513946601
Energy: -1.1013290737500578
Energy: -1.0995112163153349
Energy: -0.975366950700817
Energy: -1.8240628438913629
Energy: -1.796844231885611
Energy: -1.8241586589406356
Energy: -1.7759747038539992
Energy: -1.7835217932851162
Energy: -1.7773019531174497
Energy: -1.8336619318533718
Energy: -1.8105990324536976
Energy: -1.813838961939544
Energy: -1.77611788268496
Energy: -1.7866091898727259
Energy: -1.8199655452213692
Energy: -1.8121479147729822
Energy: -1.800723132018061
Energy: -1.837121168332376
Energy: -1.770967346046118
Energy: -1.3768418728035778
Energy: -1.8106012762130854
Energy: -1.8358319345907543
Energy: -1.8130865525058895
Energy: -1.810501263466531
Energy: -1.8329669545517255
Energy: -1.1078508225809685
Energy: -1.8114264158575273
Energy: -1.810239636717437
Energy: -1.815059242437965
Energy: -1.8139337490637903
Energy: -1.7318379170330918
Energy: -0.7732666543469277
Energy: -1.8360137752499666
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Energy: -0.807482437097319
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Energy: -1.8386574463766976
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Energy: -2.139790104433493
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Energy: -1.8387398330487237
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Energy: -2.1391572356125836
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Energy: -1.8414885867574065
Energy: -1.492318871510936
Energy: -1.8475250233905331
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Energy: -1.1984729210993685
Energy: -2.143370122156948
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Energy: -1.8412190803993396
Energy: -1.854516346035751
Energy: -1.8510528395277142
Energy: -1.3492196285946667
Energy: -1.8535883862406168
Energy: -1.8493785885507923
Energy: -1.8327473515232249
Energy: -1.7656232192567054
Energy: -1.7818746429640062
Energy: -1.7859540750460354
Energy: -1.851177396037066
Energy: -1.837763951402129
Energy: -1.8379229250434161
Energy: -1.8377565979582133
Energy: -1.8515173484118548
Energy: -1.1064965335824704
Energy: -0.15907571892143169
Energy: -1.8391334891608706
Energy: -1.836441499067183
Energy: -1.8379780127794922
Energy: -0.14590332000349643
Energy: -1.0908325237594672
Energy: -0.06440990428010475
Energy: -1.8352559440615774
Energy: -1.7599990473529197
Energy: -1.836235873660918
Energy: -0.7446577652709592
Energy: -1.5167964597780663
Energy: -1.8344212372169784
Energy: -1.8374845774835211
Energy: -1.840183951914562
Energy: -1.8092576097838107
Energy: -0.12612174143131955
Energy: -0.7200243904252701
Energy: -1.7889744780215437
Energy: -1.8106443802022478
Energy: -1.6635603849802387
Energy: -0.07202155289605763
Energy: -1.0832690230378381
Energy: -1.1299465154294652
Energy: -1.024629400243207
Energy: -0.061569854995261984
Energy: -1.8386810638470081
Energy: -1.8091563026010564
Energy: -1.0888489204146858
Energy: 0.6735112774983775
Energy: -1.0959817463841939
Energy: -1.8379517697884666
Energy: -1.6906275677011433
Energy: -1.0989142664206348
Energy: -1.0979327699709631
Energy: -1.0833761274776728
Energy: -1.0800141286548313
Energy: -1.8087711204679828
Energy: -1.2484100878182762
Energy: -1.033676873044168
Energy: -1.0405078801405845
Energy: -1.1260917285447811
Energy: -1.0973457670432356
Energy: -1.776098234569732

minimum gb energy = -2.152395629896774 eV
minimum distance =  2.52804356658775 Angstroms
sigma value = 43


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

Energy: 3.6802431131830198
Energy: 2.2376550784520526
Energy: 1.4135786731950104
Energy: 1.404894223945603
Energy: 1.4112413404622195
Energy: 3.453102904510642
Energy: 0.7740093299206066
Energy: 2.4018802760998144
Energy: 2.401717635176273
Energy: 2.4025808589912843
Energy: 2.4020528872245066
Energy: 2.4045868873746072
Energy: 2.609930809145454
Energy: 2.4016869484966494
Energy: 2.4005957178284163
Energy: 2.4013236640316844
Energy: 2.401015724346923
Energy: 2.4031909237613704
Energy: 2.5604372629466763
Energy: 2.8676072768093475
Energy: 2.4047432117497967
Energy: 2.4062938210803244
Energy: 2.4038640733346117
Energy: 2.2353907722341173
Energy: 2.6127215410977
Energy: 2.863827799556683
Energy: 2.40261152284629
Energy: 2.5624379300904514
Energy: 2.8588582688613813
Energy: 2.234399029426367
Energy: 2.236567441343375
Energy: 2.239367634317158
Energy: 3.376473565949387
Energy: 2.233478174563299
Energy: 2.8570374852358724
Energy: 2.2388784901659426
Energy: 2.235074281263803
Energy: 2.2329411210437935
Energy: 2.4020174875708884
Energy: 2.403508247602307
Energy: 2.233571547959223
Energy: 2.232974717300053
Energy: 2.2335697491132893
Energy: 2.233040758166445
Energy: 2.4016994951468598
Energy: 2.4043655193170625
Energy: 2.2331083364769464
Energy: 2.232972077104811
Energy: 2.2366231552940623
Energy: 2.2386023088792237
Energy: 2.8558739070217207
Energy: 2.231732286280905
Energy: 2.8572481249549377
Energy: 2.2380477918603714
Energy: 2.5701532272244765
Energy: 2.2350669384813857
Energy: 2.402457730163215
Energy: 1.1431936261954785
Energy: 2.857748158698339
Energy: 2.2347992957453755
Energy: 2.574051530926225
Energy: 2.864998005634437
Energy: 2.404804977424549
Energy: 2.4067925148704337
Energy: 2.4034576656306728
Energy: 2.2309604090498905
Energy: 2.6098779443947144
Energy: 2.400984741481
Energy: 2.401036322626183
Energy: 2.401619408103674
Energy: 2.4011341230068384
Energy: 2.404178629838589
Energy: 2.403454784710949
Energy: 2.401150787166428
Energy: 2.4007323285414635
Energy: 2.4013324880599765
Energy: 2.401003089088366
Energy: 2.407986889606917
Energy: 2.5513478774443543
Energy: 2.4044102872577575
Energy: 2.4064934072535067
Energy: 2.4066243783192314
Energy: 2.406514857570705
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Energy: 2.3984726214693626
Energy: 2.402104001706947
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Energy: 2.4044381998763544
Energy: 2.4024762669182667
Energy: 2.4054445156832833
Energy: 2.6096603101732314
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Energy: 2.3999816415760202
Energy: 2.402075942189356
Energy: 2.400903273548208
Energy: 2.4056363244454606
Energy: 2.6148056117228218
Energy: 2.4011293539431295
Energy: 2.4046740576952157
Energy: 2.61004990227531
Energy: 1.4915816948877265
Energy: 2.401624763769551
Energy: 2.614713695853973
Energy: 2.4023094300208894
Energy: 2.4016555075256947
Energy: 1.4146319015500985
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Energy: 2.237431056507744
Energy: 3.441898713525312
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Energy: 2.402954002858013
Energy: 2.4018797564809256
Energy: 2.401405650079653
Energy: 2.2340527525989478
Energy: 2.40245336113725
Energy: 2.4017359505154507
Energy: 2.401267242513341
Energy: 2.400387332083881
Energy: 2.238111693375521
Energy: 2.6096809310820426
Energy: 2.4022865115233363
Energy: 2.400887313208126
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Energy: 2.404504644565252
Energy: 2.867178331313634
Energy: 2.2338124805227966
Energy: 2.8607729168934557
Energy: 2.4049822483008048
Energy: 2.562650340098826
Energy: 2.8573822780598648
Energy: 2.2344456085319964
Energy: 2.405311690552794
Energy: 2.861270159288988
Energy: 2.4015844134702173
Energy: 2.5684741349695117
Energy: 2.855843205794443
Energy: 2.2392121913511436
Energy: 2.2367911918618546
Energy: 2.2385647252013774
Energy: 2.232526830340634
Energy: 2.4036645287204754
Energy: 2.234149051072226
Energy: 2.2329793660949218
Energy: 2.2373356557822985
Energy: 2.233054402233285
Energy: 1.1413360625044522
Energy: 2.4041296566552384
Energy: 2.2338219324794166
Energy: 2.2330613952932814
Energy: 2.235871204586969
Energy: 2.2328659467723546
Energy: 1.144183475162559
Energy: 2.600743182228045
Energy: 2.8564010075586808
Energy: 2.2384338425585177
Energy: 2.236720401553364
Energy: 2.238288989729097
Energy: 2.231664466930424
Energy: 2.612615372741145
Energy: 2.4023920766944156
Energy: 2.2348471245611026
Energy: 2.612584915369965
Energy: 2.8589785839025628
Energy: 2.4025094440009735
Energy: 2.406979564091268
Energy: 2.4048114281969664
Energy: 2.868203304280123
Energy: 2.2321608022794313
Energy: 2.8620229732860407
Energy: 2.405040198489191
Energy: 2.401470642576435
Energy: 2.4008392840008415
Energy: 2.237314013289328
Energy: 2.610109651717897
Energy: 2.4019894075722266
Energy: 2.4014072013635213
Energy: 2.401855748582986
Energy: 2.4007996151792144
Energy: 2.401190583886392
Energy: 2.403723217289544
Energy: 2.4013281422580572
Energy: 2.4009507184002845
Energy: 2.4066938523046777
Energy: 2.40643429851897
Energy: 2.8666027502825706
Energy: 2.2326873916089287
Energy: 2.4059649161745864
Energy: 2.406360224553479
Energy: 2.612696558204239
Energy: 2.4026396715900242
Energy: 2.4023023065499407
Energy: 2.3990266109792824
Energy: 2.402181639182875
Energy: 2.402747756647734
Energy: 2.6085426066552397
Energy: 2.400639888696736
Energy: 2.405524808599502
Energy: 2.609553764787654
Energy: 2.407025406021446
Energy: 2.400594937057061
Energy: 2.6098920562556684
Energy: 2.403897172615537
Energy: 2.4014420828445178
Energy: 2.4033635792971815
Energy: 2.400034421281022
Energy: 2.404875956545631
Energy: 0.7739374154946851
Energy: 2.401583137449279
Energy: 2.4022218306440153
Energy: 2.4066063881999686
Energy: 2.4019284101485074
Energy: 3.433574018342758

minimum gb energy = 0.7739374154946851 eV
minimum distance =  2.53470848426992 Angstroms
sigma value = 81


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

Energy: 2.543724862023394
Energy: 2.5441355765080775
Energy: 2.756028561332346
Energy: 2.7566112631882103
Energy: 2.758982954542131
Energy: 2.544041491201522
Energy: 2.5450981907235795
Energy: 2.75813973953483
Energy: 2.5550228753262827
Energy: 2.5541633403960393
Energy: 2.5541513981878303
Energy: 2.7580324268451624
Energy: 2.7625963397857216
Energy: 2.7574999571424064
Energy: 2.554527668140857
Energy: 2.5539310901503796
Energy: 2.555303936687804
Energy: 2.7578916337441655
Energy: 2.756679266499591
Energy: 2.759030084701487
Energy: 2.55580963200164
Energy: 2.554196421633188
Energy: 2.7576973526508244
Energy: 2.757518655127143
Energy: 2.756460074766915
Energy: 2.764410991936133
Energy: 2.758757670864795
Energy: 2.5442257610050922
Energy: 2.7624045302170126
Energy: 2.7581691585528723
Energy: 2.554849338700983
Energy: 2.554799981768725
Energy: 2.5442955230169866
Energy: 2.5473122062927556
Energy: 2.7585253563040024
Energy: 2.554933483798129
Energy: 2.554370377201383
Energy: 2.554715530749268
Energy: 2.758108011138545
Energy: 2.757431916312068
Energy: 2.762419211701932
Energy: 2.5546345240128168
Energy: 2.5543797534917245
Energy: 2.554687436868023
Energy: 2.7583002089541173
Energy: 2.765782271800037
Energy: 2.758120351510539
Energy: 2.554624009000855
Energy: 2.5549211176802613
Energy: 2.5546673844283307
Energy: 2.7575836747400033
Energy: 2.7572249383524006
Energy: 2.7586757396427855
Energy: 2.554915507226901
Energy: 2.5440996847722093
Energy: 2.75837588288747
Energy: 2.7591583365720633
Energy: 2.7566771590615478
Energy: 2.7612895821464503
Energy: 2.7580244819947612

minimum gb energy = 2.543724862023394 eV
minimum distance =  2.55516959729265 Angstroms
sigma value = 3


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

Energy: 1.6054070184907447
Energy: 0.4890133997588062
Energy: 0.5009931410697472
Energy: 0.526776461039574
Energy: 0.5079551120919362
Energy: -0.27009610214973706
Energy: 1.2007056800164335
Energy: 1.4624290274842298
Energy: 0.28828894168798985
Energy: 0.2428174997083508
Energy: 0.6428366222788543
Energy: 0.9389245240320216
Energy: 0.9815149896656821
Energy: 0.5299872666750637
Energy: 1.6048958237427275
Energy: 1.038145054773326
Energy: 0.7703738667498992
Energy: 0.9360422242752272
Energy: 0.896105836820018
Energy: 0.9759470968116501
Energy: 0.45692858301042344
Energy: 0.8775430320115616
Energy: 0.5171888594152337
Energy: 0.9756475679514413
Energy: 0.8215036640174757
Energy: 0.974675881162302
Energy: 1.491174427915243
Energy: 2.19704169785077
Energy: 0.8912630162574687
Energy: 0.8518864931984154
Energy: 0.6099811133479681
Energy: 0.6936774404470217
Energy: 0.6707221268701187
Energy: 2.0150858022027265
Energy: 0.9744960123473374
Energy: 0.6984662085408881
Energy: 0.5419722424643826
Energy: 0.9477934435658968
Energy: 1.2362591265518654
Energy: 0.8415959078158366
Energy: 1.1657814894631422
Energy: 0.8507823262397607
Energy: 0.5961668883279376
Energy: 0.7068640468147765
Energy: 0.9176973459039791
Energy: 0.695353997154706
Energy: 0.8371420119647193
Energy: 0.929400095007408
Energy: 0.8157769097603729
Energy: 2.0313343580240244
Energy: 0.6944167633896058
Energy: 1.0440219589031412
Energy: 1.0720083280832062
Energy: 1.2353599847202483
Energy: 0.8094742605853833
Energy: 1.6314009318464227
Energy: -0.164717359449834
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Energy: 0.7990080609104044
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Energy: 1.1719211272267351
Energy: 0.9038686843204692
Energy: 0.755263870196305
Energy: 0.18036912669412916
Energy: 0.4797552822428495
Energy: 2.437956940449888
Energy: 2.348988336978655
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Energy: 1.2997189840827024
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Energy: 2.360268178562422
Energy: 2.36242471587753
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Energy: 1.3392540003650937
Energy: 2.352107481316525
Energy: 2.361230246885623
Energy: 2.366166748564244
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Energy: 0.8059191400561155
Energy: 2.372123585767023
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Energy: 2.096113127405109
Energy: 0.46435708073621174
Energy: 0.41677713324871907
Energy: 0.6913515914050256
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Energy: -0.5914168661569058
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Energy: 0.826169794726347
Energy: 0.2604397010323665
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Energy: 0.6451120568180955
Energy: 0.8361341931674162
Energy: 0.8517825079342495
Energy: 0.5954487108735601
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Energy: 0.8439296425016445
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Energy: 0.5417655620889069
Energy: 1.2515915727628024
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Energy: 0.9575569368187831
Energy: 0.5792889229213272
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Energy: 0.6061191157921028
Energy: 0.2979902724754095
Energy: 2.8740960060856904
Energy: 0.8503131425822611
Energy: 1.196521496471768
Energy: 0.8747068018846306
Energy: 2.0042780835641594
Energy: 0.8002992558136564
Energy: 2.047310298279606
Energy: 1.1905369267829873
Energy: 0.617367793060787
Energy: 0.4098854090373821
Energy: 0.5985541889057866
Energy: 1.6238036469300585
Energy: 0.6878534393631803
Energy: 0.7138795705186126
Energy: 1.1948753634319325
Energy: 0.7561186552737702
Energy: 0.7349612831059403
Energy: 1.2616804082047137
Energy: 0.7613421086681182
Energy: 1.1910113794246444
Energy: 1.192489097571349
Energy: -0.1649462019592204
Energy: 0.8803013123737385
Energy: 0.8777027675715361
Energy: 0.7268322278187318
Energy: 0.6596195552064572
Energy: 0.5030615586811809
Energy: 1.8162850024591481
Energy: 0.8358857359497202
Energy: 0.841335870627846
Energy: 0.859069381552362
Energy: -0.5994203705825256
Energy: 1.3081742540246408
Energy: 0.7605076364244578
Energy: 0.8718359168776102
Energy: 0.9730641668185758
Energy: 0.8612025699192136
Energy: 0.7085007994111931
Energy: 0.7543460108134964
Energy: 1.0799522122140124
Energy: 0.8047200760113056
Energy: 0.6613050999419084
Energy: 0.68749551932585
Energy: 0.9105264867722833
Energy: 0.007917450364301677
Energy: 0.6094898688517039
Energy: 0.6573312207099602
Energy: 0.6785332075027858
Energy: 0.6071423580852917
Energy: 0.6599586351831485
Energy: 0.6629900131734774
Energy: 0.6617610918617691
Energy: 0.6080816138334888
Energy: 1.2266782085232992
Energy: 0.877288023402645
Energy: 0.5560993153615996
Energy: 0.0525937381874804
Energy: 0.6460821202805002
Energy: 1.764167312054592

minimum gb energy = -0.6306279967034952 eV
minimum distance =  2.55036502415684 Angstroms
sigma value = 67


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

Energy: 2.9180294658737305
Energy: -0.5202185343164545
Energy: 1.5866216035444622
Energy: 1.6126803249543056
Energy: 1.57933950754286
Energy: 0.07944831934949081
Energy: -0.06959109335563746
Energy: 0.2602984421011342
Energy: 1.7948610673794718
Energy: 1.8992395215448759
Energy: 0.21242291499329358
Energy: -0.039270620220091645
Energy: 2.4511188396410355
Energy: 1.4018169159631266
Energy: 1.432623462108646
Energy: 1.8565613804995598
Energy: 1.411850700191853
Energy: 2.4375675423172725
Energy: 2.417476335269959
Energy: 2.4065232604431515
Energy: 0.32000968571863037
Energy: 1.5224715212183135
Energy: 0.30414772049842204
Energy: 2.416876776248688
Energy: 2.4288725356504925
Energy: 2.4311319786423384
Energy: -0.0680640847406444
Energy: 1.5771470367451408
Energy: -0.05060871029878803
Energy: 2.4396114803098734
Energy: -0.008409406308726771
Energy: -0.08904332673128149
Energy: 0.2860772758580775
Energy: 2.13601822406102
Energy: 0.7341472276634095
Energy: -0.07815772086060749
Energy: -0.7523992919963838
Energy: -0.04672458894626154
Energy: 2.81707614806194
Energy: 1.5390071860376953
Energy: 1.8996458788824753
Energy: -0.19951695806455635
Energy: -0.6147263549094911
Energy: -0.05326903890738928
Energy: 1.8087082095641485
Energy: 1.8717245491492787
Energy: 1.948312429154087
Energy: 2.9388429934136484
Energy: 1.2646270134252242
Energy: 1.992107368445926
Energy: 1.9458371882994852
Energy: 1.8874904715278313
Energy: 1.8156145941578363
Energy: -0.12502892944831906
Energy: 0.7492176757208701
Energy: -0.47619460499039723
Energy: 1.880332628339865
Energy: 1.8560649415004866
Energy: 1.5812376275392341
Energy: 1.5294676491100827
Energy: 0.7229458456764422
Energy: 1.5434228658524982
Energy: 0.21412097059584984
Energy: 1.464177080906545
Energy: 0.24824142094359314
Energy: 1.5213333668946136
Energy: 1.3110425676666988
Energy: 1.5326663982681983
Energy: 1.541230802757812
Energy: 1.9011160082360172
Energy: -0.4886378950256595
Energy: 1.3887344019178824
Energy: -0.03477283134482521
Energy: 1.540055272335518
Energy: 1.5414018591291847
Energy: 1.901726158098884
Energy: 1.5383073126614015
Energy: 1.5093640158927644
Energy: 0.05691622435195962
Energy: 1.5346801508466328
Energy: -0.532437610847661
Energy: 1.459614825684037
Energy: 1.5511976878214417
Energy: 1.5169350848108023
Energy: -0.01128676078568155
Energy: 1.56011713138263
Energy: 2.9779822477581592
Energy: 2.9790339403586725
Energy: -0.48372667287986465
Energy: 1.5313777210166895
Energy: 1.6119947627046014
Energy: 2.6225659883220565
Energy: 2.978189315856583
Energy: 2.984529686118227
Energy: 2.613326431807112
Energy: 1.074866158039289
Energy: 0.5224573186392959
Energy: 2.209064210547995
Energy: 2.989747129150108
Energy: 1.8858447812483963
Energy: 2.9891407490363657
Energy: 1.9657220138803657
Energy: 0.4287781186616231
Energy: 2.1648397684645664
Energy: 2.985066350737882
Energy: 2.6518467413911204
Energy: 2.9838389767311666
Energy: 2.252607312226408
Energy: 1.596981999483988
Energy: 1.0747141345005002
Energy: 0.12490041134297782
Energy: 1.7115086707953628
Energy: 0.14996134551540985
Energy: 1.074831669629101
Energy: 1.6139861836681306
Energy: 1.6149929044498204
Energy: 2.1132468928814325
Energy: 2.6508537562279515
Energy: 1.078744724239073
Energy: 1.6146527243977105
Energy: 1.6619366289286228
Energy: 1.6189933099456855
Energy: 1.5457358631395828
Energy: 0.20071476861861354
Energy: 1.6205887688079859
Energy: 1.6260770978571362
Energy: 1.622480130261897
Energy: 1.5902269663170645
Energy: 1.4363342309503766
Energy: 1.8566224591082747
Energy: 0.9168369297884719
Energy: 1.611717061135937
Energy: -0.11802920781892232
Energy: 1.5982874949486743
Energy: 0.42091968087757264
Energy: 0.16745725546487236
Energy: 0.18383752587427452
Energy: 0.0076850468999061445

minimum gb energy = -0.7523992919963838 eV
minimum distance =  2.55665760928634 Angstroms
sigma value = 33


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

Energy: 4.053658630152585
Energy: 1.392048560748323
Energy: 1.4129052785342981
Energy: 1.4132522606932516
Energy: 1.9555918483597723
Energy: 2.55345639559213
Energy: 1.3958700262121015
Energy: 2.6233980908692374
Energy: 2.6634443970801494
Energy: 1.9657470607894973
Energy: 2.661931614035461
Energy: 2.1303597463245887
Energy: 1.9543972640064942
Energy: 1.3783885523660826
Energy: 2.074137760901411
Energy: 2.489272681241407
Energy: 2.06650636719223
Energy: 1.941345037007643
Energy: 1.9561115286803787
Energy: 1.9643951416710452
Energy: 2.0656648219285145
Energy: 1.9588054032311804
Energy: 1.383453101624103
Energy: 1.9609278782856274
Energy: 1.9615655481501646
Energy: 1.9585843330437493
Energy: 1.501197938569398
Energy: 1.4086331658601536
Energy: 1.9565313568257918
Energy: 1.948106898075113
Energy: 1.4019987183433267
Energy: 1.3795175942378375
Energy: 1.9598082362267373
Energy: 1.9373283683777
Energy: 2.6535324623828807
Energy: 1.388105980020798
Energy: 1.412130100967825
Energy: 1.9716702124870638
Energy: 1.9344711539390513
Energy: 1.404968514635653
Energy: 1.956357002630633
Energy: 2.4774334331618
Energy: 1.4031061650902403
Energy: 1.5255568266915456
Energy: 1.9320813445550036
Energy: 1.9495201286777517
Energy: 1.9330908762191152
Energy: 2.5005463777940693
Energy: 1.95431614575692
Energy: 1.99143771314079
Energy: 1.9564937086123202
Energy: 1.9784243692995291
Energy: 1.9620723606038364
Energy: 2.0481610585114813
Energy: 1.9691991403567908
Energy: 2.085888016956263
Energy: 1.955653025760948
Energy: 1.9662588552047737
Energy: 1.9617787981793176
Energy: 2.0623017064185367
Energy: 1.9711787846441564
Energy: 2.0620455151581623
Energy: 1.3831034538855431
Energy: 1.9465750898073857
Energy: 2.1297941540208445
Energy: 2.043077294416533
Energy: 1.957901570400193
Energy: 1.9405306915996297
Energy: 1.3836586860083393
Energy: 1.9517167450737307
Energy: 2.115742315459592
Energy: 1.9535377537094536
Energy: 1.4204574522610034
Energy: 1.941092261454507
Energy: 1.3833709840031927
Energy: 1.9499119510364238
Energy: 1.954622278176045
Energy: 1.39441580596513
Energy: 1.3900196005150383
Energy: 2.070497301433093
Energy: 1.377156992217172
Energy: 1.397958136421647
Energy: 1.3759426478437866
Energy: 3.8394814873547363
Energy: 1.3902237410592093
Energy: 1.3733092408942664
Energy: 1.3748152530380446
Energy: 1.4016923063794529
Energy: 1.3747460295444127
Energy: 2.06346724642705
Energy: 1.4189201821062696
Energy: 1.3738659692347042
Energy: 1.380227847033551
Energy: 1.4039445140506464
Energy: 1.3774119226795394
Energy: 1.4972152145183164
Energy: 1.9363249423629993
Energy: 1.3839907158448583
Energy: 1.3779961651127324
Energy: 1.398081026535458
Energy: 1.372395833455342
Energy: 1.9624455829922478
Energy: 1.429151407574907
Energy: 2.061363369552091
Energy: 1.9586010511144298
Energy: 1.3998479996619733
Energy: 1.9658947546384837
Energy: 1.9571181833603393
Energy: 1.4242790747166265
Energy: 1.4129492694543826
Energy: 2.0539569036718146
Energy: 2.4398853102303857
Energy: 1.9368025321601419
Energy: 1.4196595166087258
Energy: 1.9646010721020974
Energy: 2.064592465327447
Energy: 1.384624534208715
Energy: 1.3931393934920557
Energy: 2.089376926162554
Energy: 1.9572814901981843
Energy: 2.5002656949772346
Energy: 2.111758280397756
Energy: 1.945515231076486
Energy: 1.9528758489983502
Energy: 1.517723824911397
Energy: 1.974861869361331
Energy: 1.9605402009923811
Energy: 1.5103448851984123
Energy: 1.962263734160591
Energy: 1.950761168007421
Energy: 1.9670594649149906
Energy: 1.945604108791444
Energy: 1.407894786788951
Energy: 1.9623885697934507
Energy: 1.96054253929611
Energy: 1.9619244344796756
Energy: 1.958820438915839
Energy: 1.4959889336602221
Energy: 1.4016335371821815
Energy: 1.372458690121294
Energy: 1.3835174814879758
Energy: 1.3987709495920932
Energy: 1.376632535160212
Energy: 1.4593722075629385
Energy: 1.4073183770117965
Energy: 1.9458986636310311
Energy: 1.9561372864181714
Energy: 1.3938555306533296
Energy: 1.9657481108784833
Energy: 1.9393417485530327
Energy: 1.9493617663824958
Energy: 1.927377772229174
Energy: 1.9457648419282276
Energy: 1.3673963672052414
Energy: 1.9566681165322415
Energy: 1.935035411751856
Energy: 1.9694083548505108
Energy: 1.9591733983433042
Energy: 1.9869011634299416
Energy: 1.9526328945312428
Energy: 1.9749400110146238
Energy: 1.956865793569109
Energy: 1.9690212705262151
Energy: 1.959252304276896
Energy: 2.0636701978693526
Energy: 1.9639641031414303
Energy: 1.5297690350633277
Energy: 1.9534810354504795
Energy: 1.949066890636205
Energy: 1.5018572075427825
Energy: 2.0669054252640806
Energy: 1.9692537469818359
Energy: 2.106429888656105
Energy: 1.9354677710568275
Energy: 1.3770201689626655
Energy: 1.381719568543558
Energy: 1.945167577655573
Energy: 1.958029020302496
Energy: 1.9468356876718227
Energy: 1.932786256169375
Energy: 1.3760768419090186
Energy: 1.3864708588807682
Energy: 1.9495024411516002
Energy: 1.4193082585320944
Energy: 1.9392700688216657
Energy: 1.9306212997969614
Energy: 1.4000270456307689
Energy: 1.5042691612960868
Energy: 2.0658489723447424
Energy: 1.3892076888071878
Energy: 2.0678072796716935
Energy: 1.3855250792856915
Energy: 1.4003343137198907
Energy: 1.375808617991496
Energy: 1.5192966723145565
Energy: 1.3894573426114523
Energy: 1.3714083105341355
Energy: 1.3782763280727863
Energy: 1.4305034268197454
Energy: 1.3784266378737298
Energy: 1.3746134864593846
Energy: 1.4184572325234606
Energy: 1.3749720365969165
Energy: 1.381780716422033
Energy: 1.4000588235900517
Energy: 1.375026445995865
Energy: 1.5114271921852365
Energy: 1.9691182960585125
Energy: 1.371275473740968
Energy: 1.381679728666563
Energy: 1.401319118667545
Energy: 1.9602875431419047
Energy: 2.0634542913403378
Energy: 1.9638099289056468
Energy: 2.606514227845138
Energy: 1.3873874228435732
Energy: 2.763378531869819
Energy: 1.3833092869409345
Energy: 1.41811653327692
Energy: 1.4216150604667235
Energy: 1.936990635889145
Energy: 2.4565252690411237

minimum gb energy = 1.3673963672052414 eV
minimum distance =  2.53831362143484 Angstroms
sigma value = 41


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

Energy: 4.034201267258357
Energy: 0.21501204270001897
Energy: 1.388890411088404
Energy: 1.4612675492093454
Energy: 1.3425813294798423
Energy: 0.21745951741353473
Energy: 2.29751219392938
Energy: 0.5060550306472574
Energy: 0.4308178907481756
Energy: 1.4885709013795088
Energy: 0.49416694570602143
Energy: 1.3776587145825896
Energy: 1.4576832090559164
Energy: 0.49811737860860067
Energy: 0.4533893303240532
Energy: 0.053800233853481524
Energy: 0.5033730632835477
Energy: 1.405564204236981
Energy: 1.4305692223216835
Energy: 0.4713365239632503
Energy: 0.41046845385019504
Energy: 1.4575684367981494
Energy: 0.5058794569254444
Energy: 0.44660091161672044
Energy: 1.5227060521599154
Energy: 1.3765888345104973
Energy: 0.41327326190934177
Energy: 1.458863481012755
Energy: 0.4943552916980114
Energy: 1.3983246493655712
Energy: 1.4785213755011155
Energy: 1.3773452303251896
Energy: 1.328799350628481
Energy: 1.1158332779739646
Energy: 1.3629550801625667
Energy: 1.4124138345095205
Energy: 2.299091490654152
Energy: 0.45208433400939496
Energy: 1.3869312567335716
Energy: 1.4513898947982857
Energy: 0.5070014021173894
Energy: 1.3969332111425483
Energy: 2.361311611344426
Energy: 0.49950612509276127
Energy: 1.3886107416396447
Energy: 1.4358660086801465
Energy: 1.3697852577546024
Energy: 1.4550634402530895
Energy: 1.4621735067427226
Energy: 0.48081456763111585
Energy: 0.40683795544298584
Energy: 0.04582168090890721
Energy: 0.4980622470644541
Energy: 1.3806251423657128
Energy: 1.5151147724892822
Energy: 0.4904907335237763
Energy: 0.453146857538819
Energy: 1.4610196270843618
Energy: 0.5022708788312998
Energy: 0.4494946778075268
Energy: 1.4472436252634544
Energy: 0.4718164488991713
Energy: 0.4525529399868598
Energy: 1.4396068082654834
Energy: 0.5279332882324574
Energy: 1.400571855581956
Energy: 1.4711223187746554
Energy: 1.3614892047306137
Energy: 0.426357392226036
Energy: 1.0980867852390337
Energy: 0.5020524062717618
Energy: 1.391914775305302
Energy: 1.5127885336529705
Energy: 1.396990815098735
Energy: 0.428980423031697
Energy: 1.4436074196821282
Energy: 0.4998895678911205
Energy: 1.3852360768880403
Energy: 2.318754650632332
Energy: 0.4499447633571378
Energy: 1.383652650434762
Energy: 1.4364982477051618
Energy: 1.3677858062820378
Energy: 1.4265069441861566

minimum gb energy = 0.04582168090890721 eV
minimum distance =  2.6554824747753 Angstroms
sigma value = 11


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

Energy: 2.0619041819464137
Energy: 2.0922924740460385
Energy: 2.1213865491799364
Energy: 2.118192399261331
Energy: 2.1201407341016267
Energy: 2.0521105518684752
Energy: 2.085942710702861
Energy: 2.1214344731667145
Energy: 2.1195278435686333
Energy: 2.115467068781349
Energy: 2.196990077998791
Energy: 2.1158625161106404
Energy: 2.1204049995689647
Energy: 2.108296618659333
Energy: 2.1806887456929034
Energy: 2.0867993675387306
Energy: 2.111662777158843
Energy: 2.1095773524165002
Energy: 2.112654977907233
Energy: 2.1213963352667724
Energy: 2.1229514953168986
Energy: 2.1258975274746086
Energy: 2.115980712240777
Energy: 2.1209990664135665
Energy: 2.1121263842478313
Energy: 2.12467208615564
Energy: 2.194853252421138
Energy: 2.1158951983516574
Energy: 2.1205689238346483
Energy: 2.124671819657484
Energy: 2.1230560856152443
Energy: 2.1185872230898988
Energy: 2.1841989125582617
Energy: 2.121082637121903
Energy: 2.184253312960631
Energy: 2.118280032384496
Energy: 2.08192739174649
Energy: 2.119188885306174
Energy: 2.1180096408711666
Energy: 2.1267387809665386
Energy: 2.1166194057987298
Energy: 2.1547570034712757
Energy: 2.08163974187499
Energy: 2.2045569649918466
Energy: 2.1111596787821556
Energy: 2.125109375811754
Energy: 2.1115822570305496
Energy: 2.0864657489880702
Energy: 2.124568540640877
Energy: 2.1149544442123607
Energy: 2.1934547662631783
Energy: 2.0929579994966026
Energy: 2.122311970149115
Energy: 2.1125626980094325
Energy: 2.1236889278800493
Energy: 2.113593348027104
Energy: 2.1160202598813647
Energy: 2.093270497744532
Energy: 2.120291699030338
Energy: 2.1130686698049606
Energy: 2.1096504249291903
Energy: 2.122146149412965
Energy: 2.116910726735408
Energy: 2.128758465277845
Energy: 2.193512289690299
Energy: 2.1185837134799503
Energy: 2.1163553789543923
Energy: 2.2059507014481747
Energy: 2.1237778053080127
Energy: 2.1112877585719896
Energy: 2.2004341321329943
Energy: 2.122018427834446
Energy: 2.1226724528023304
Energy: 2.1233955233442376
Energy: 2.115977436050853
Energy: 2.115672722430516
Energy: 2.116223679171746
Energy: 2.1084878224065666
Energy: 2.0746721806669353
Energy: 2.1193926924537467
Energy: 2.107008656486156
Energy: 2.1224132562845863
Energy: 2.1057835398784017
Energy: 2.1862543175688556
Energy: 2.122998527553642
Energy: 2.1981045168886286
Energy: 2.1158773113514253
Energy: 2.1232936228804156
Energy: 2.1202822029600314
Energy: 2.1213015101004427
Energy: 2.122070816676978
Energy: 2.113317773673808
Energy: 2.0937404320555575
Energy: 2.062167006812463
Energy: 2.1087955354315517
Energy: 2.117643949429257
Energy: 2.122141410145131
Energy: 2.1221449600212794
Energy: 2.120423453817839
Energy: 2.0873741724025434
Energy: 2.11562237653507
Energy: 2.119238037317045
Energy: 2.0876972611520044
Energy: 2.185980331193125
Energy: 2.110182563264808
Energy: 2.1183385027026804
Energy: 2.10830293214537
Energy: 2.0966790215584266
Energy: 2.1241842862115234
Energy: 2.1183099746280307
Energy: 2.1193392070851313
Energy: 2.115227867983529
Energy: 2.1193001322112015
Energy: 2.1212714630584206
Energy: 2.122655001128608
Energy: 2.1163936217430592
Energy: 2.121639426298545
Energy: 2.1099177030399536
Energy: 2.1213980071074694
Energy: 2.123396797944763
Energy: 2.1221054669921737
Energy: 2.1983198315903745
Energy: 2.1158978094853897
Energy: 2.1218327492219125
Energy: 2.1152516667563037
Energy: 2.204225346485044
Energy: 2.1263074619842546
Energy: 2.1177628606032726
Energy: 2.11642627853777
Energy: 2.0799332230461958
Energy: 2.1184163050265092
Energy: 2.1194118328581553
Energy: 2.1241423390658944
Energy: 2.111020735436389
Energy: 2.0658929295463837
Energy: 2.078698618890623
Energy: 2.122584491130967
Energy: 2.113503795476937
Energy: 2.095204096754594
Energy: 2.1205052789921397
Energy: 2.1118385441696494
Energy: 2.1262546479421793
Energy: 2.1151927545908022
Energy: 2.096029289266173
Energy: 2.0936188956567494
Energy: 2.122984787884546
Energy: 2.1086721266749158
Energy: 2.1234939167991893
Energy: 2.1104903448914962
Energy: 2.099994182159302
Energy: 2.127777428752409
Energy: 2.2033773290386898
Energy: 2.1227425879152966
Energy: 2.111506540029164
Energy: 2.123550099911773
Energy: 2.1109761877631223
Energy: 2.113348379678965
Energy: 2.2062873205337947
Energy: 2.114872832888036
Energy: 2.114632429650829
Energy: 2.2013295864699907
Energy: 2.1224809158763285
Energy: 2.1146278234666003
Energy: 2.116547543871031
Energy: 2.116258178880807
Energy: 2.126828733453494
Energy: 2.1217907598302603
Energy: 2.12085579144161
Energy: 2.1240319991926495
Energy: 2.106531068351228
Energy: 2.1219397703771117
Energy: 2.0785601567692846
Energy: 2.1143937125860557
Energy: 2.107991004297094
Energy: 2.1263426530021583
Energy: 2.1142895798147627
Energy: 2.200585473131867
Energy: 2.121935576768984
Energy: 2.1195313849170936
Energy: 2.1124403044085645
Energy: 2.0630752225403115
Energy: 2.1919576099770164
Energy: 2.1123308774877247
Energy: 2.125676372422022
Energy: 2.1099532507068357
Energy: 2.0957243372206507

minimum gb energy = 2.0521105518684752 eV
minimum distance =  2.51889078205394 Angstroms
sigma value = 57


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

Energy: 4.9535142363798155
Energy: 2.6812455885260396
Energy: 2.8389604266844493
Energy: 2.8360567068025073
Energy: 2.839813124471459
Energy: 2.67969733535224
Energy: 2.6565076591258445
Energy: 2.732593243049529
Energy: 2.6890501979183545
Energy: 2.6911842549440212
Energy: 2.730357850362115
Energy: 2.6908907016841406
Energy: 2.689673494228733
Energy: 2.6900792631911963
Energy: 2.730163022252043
Energy: 2.6872340988147148
Energy: 2.730021723501537
Energy: 2.6914008780278174
Energy: 2.6865556986392845
Energy: 2.6911504865635703
Energy: 2.6889046469893505
Energy: 2.692167051507124
Energy: 2.729970808253333
Energy: 2.6923679005728633
Energy: 2.68573996889271
Energy: 2.6911343277722497
Energy: 2.735067377053059
Energy: 2.6876199755021513
Energy: 2.7309794422116176
Energy: 2.6911314441694576
Energy: 2.6919289120593084
Energy: 2.6905888650547864
Energy: 2.7310125146219693
Energy: 2.694795952600594
Energy: 2.729164001897356
Energy: 2.6905479419591325
Energy: 2.668239675223346
Energy: 2.731870610414098
Energy: 2.6906573155072735
Energy: 2.6905800801176776
Energy: 2.691027143385442
Energy: 2.7363021548899797
Energy: 2.667905495483764
Energy: 2.728008889372082
Energy: 2.6907400300104367
Energy: 2.6918027858962796
Energy: 2.691115880944486
Energy: 2.729848466463615
Energy: 2.692038458875471
Energy: 2.689892560985556
Energy: 2.658886847898163
Energy: 2.6552900435407163
Energy: 2.7287753147863434
Energy: 2.690684985679967
Energy: 2.691697413232861
Energy: 2.6918083778554918
Energy: 2.658548469792688
Energy: 2.656863778139491
Energy: 2.730117881590243
Energy: 2.6923279810929603
Energy: 2.6634800696785583
Energy: 2.7310039278567277
Energy: 2.690843711826082
Energy: 2.6924202206649843
Energy: 2.7292657303382946
Energy: 2.7315993622368926
Energy: 2.6634944388165724
Energy: 2.732058646593774
Energy: 2.6919140191978714
Energy: 2.6872164616249026
Energy: 2.6912020800098864
Energy: 2.7347501096903546
Energy: 2.69083752146277
Energy: 2.7294508763240923
Energy: 2.6916919493533773
Energy: 2.6862830392306267
Energy: 2.690616168207488
Energy: 2.690089651312702
Energy: 2.693986686818129
Energy: 2.7301122768545008
Energy: 2.6901115042539283
Energy: 2.689801722382313
Energy: 2.6889685279278672
Energy: 2.7320083480329704
Energy: 2.6895585616685898
Energy: 2.729442705669026
Energy: 2.6899122872853924
Energy: 2.6911041547529706
Energy: 2.7320443985428406
Energy: 2.68641464975435
Energy: 2.8340927867868437
Energy: 2.691960517902289
Energy: 2.6901452248010806
Energy: 2.6632319283892874
Energy: 2.691132684370943
Energy: 2.8402089061938636
Energy: 2.65693360425532
Energy: 2.6910945571143294
Energy: 2.690653727817334
Energy: 2.691808675878283
Energy: 2.7310492744326025
Energy: 2.690576081552668

minimum gb energy = 2.6552900435407163 eV
minimum distance =  2.51942517661911 Angstroms
sigma value = 9


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

Energy: 5.156105323542229
Energy: 2.3198752799212614
Energy: 2.4973138565283612
Energy: 2.4938764461927727
Energy: 2.4947385131780435
Energy: 2.3238155971328873
Energy: 2.55156170514079
Energy: 2.372606064620533
Energy: 2.4821162975949225
Energy: 2.496480468914579
Energy: 2.3751249107652797
Energy: 2.4823377072811192
Energy: 2.4799224513996316
Energy: 2.47653526332711
Energy: 2.2848456296246265
Energy: 2.269380868525271
Energy: 2.3795026808176707
Energy: 2.4869572358182577
Energy: 2.477192866588731
Energy: 2.4787238470154334
Energy: 2.380836016202836
Energy: 2.4798222985263245
Energy: 2.379281551825534
Energy: 2.4871287053070827
Energy: 2.4740725901680864
Energy: 2.4558383797515377
Energy: 2.4770376996064747
Energy: 2.478582578325908
Energy: 2.4584724965024765
Energy: 2.489772387940494
Energy: 2.485576437135694
Energy: 2.4758544307929053
Energy: 2.485552502025155
Energy: 2.4772836441301744
Energy: 2.483630186672536
Energy: 2.4926910304751777
Energy: 2.493741635690084
Energy: 2.371123768118282
Energy: 2.4778793492110296
Energy: 2.4809236318532646
Energy: 2.4785272381675307
Energy: 2.378405699470874
Energy: 2.497173746090424
Energy: 2.373113121132317
Energy: 2.48675310165995
Energy: 2.4733692466161843
Energy: 2.3854466430626595
Energy: 2.378743894036782
Energy: 2.4893710941005196
Energy: 2.4841619515304156
Energy: 2.3763403514073382
Energy: 2.4563198299387414
Energy: 2.4834376199754677
Energy: 2.4842539291530574
Energy: 2.476687597280359
Energy: 2.4833938745795803
Energy: 2.37704446016508
Energy: 2.456699963669277
Energy: 2.374531430702135
Energy: 2.484940478571731
Energy: 2.5478716296654524
Energy: 2.3714025375661194
Energy: 2.4852203799874255
Energy: 2.4851593364006512
Energy: 2.484587184941204
Energy: 2.2787865921077315
Energy: 2.5498003784654726
Energy: 2.3774961471034235
Energy: 2.485962707556854
Energy: 2.4801435204261844
Energy: 2.479523815457002
Energy: 2.4774157219790047
Energy: 2.4723373871358554
Energy: 2.482889649330597
Energy: 2.377227216869135
Energy: 2.277596851375764
Energy: 2.3733137105359376
Energy: 2.4851615013117283
Energy: 2.4772826770412077
Energy: 2.48102761703777
Energy: 2.377240763888723
Energy: 2.2789400137904905
Energy: 2.3797180694044116
Energy: 2.4875302078271293
Energy: 2.4780626785046116
Energy: 2.481348823978762
Energy: 2.480270045949415
Energy: 2.4870095774545358
Energy: 2.3838048878739726
Energy: 2.489600811021378
Energy: 2.4761859930512715
Energy: 2.481377882026282
Energy: 2.457684641389635
Energy: 2.4581773523056603
Energy: 2.45728995491991
Energy: 2.48636807109816
Energy: 2.492454433637717
Energy: 2.376610198177346
Energy: 2.4773889379540734
Energy: 2.4839578673297935
Energy: 2.479220409234424
Energy: 2.482293710219266
Energy: -0.46626628806696535
Energy: 2.3759708239125965
Energy: 2.4807301938119317
Energy: 2.4779791930353747
Energy: 2.370886996762413
Energy: 2.347948009773926
Energy: 2.493062830392199
Energy: 2.4797665377607183
Energy: 2.375733479539775
Energy: 2.480471818156191
Energy: 2.372168970685821
Energy: 2.481662491463632
Energy: 2.493033622011545
Energy: 2.481735870549174
Energy: 2.4805340486784218
Energy: 2.4321468618229116
Energy: 2.481796832602518
Energy: 2.4975008248294714
Energy: 2.531318454079666
Energy: 2.3741719036875977
Energy: 2.486324328256432
Energy: 2.4781890396583326
Energy: 2.4790645085565153
Energy: 2.479484023760353

minimum gb energy = -0.46626628806696535 eV
minimum distance =  2.52893109770809 Angstroms
sigma value = 27


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

Energy: 2.8699241961351896
Energy: 2.68709449099084
Energy: 2.6297220147269136
Energy: 2.7078940425060134
Energy: 2.6319381008908396
Energy: 2.687879975825068
Energy: 2.7555431137002393
Energy: 2.629722498383338
Energy: 2.630127979809477
Energy: 2.6252042660031143
Energy: 2.630493446541008
Energy: 2.7180669593523645
Energy: 2.6250469015735014
Energy: 2.6273850367693927
Energy: 2.624289226565461
Energy: 2.624252323857959
Energy: 2.6254097113647323
Energy: 2.635252332307976
Energy: 2.6241409294846116
Energy: 2.628325585882919
Energy: 2.630538795810481
Energy: 2.624530581239408
Energy: 2.628467212755853
Energy: 2.634313643451667
Energy: 2.7550967652957
Energy: 2.9012561312453586
Energy: 2.692074819190007
Energy: 2.681024915184574
Energy: 2.9011757679344217
Energy: 2.8998852703848788
Energy: 2.6283786132318454
Energy: 2.6268186016562556
Energy: 2.6915970549034736
Energy: 2.6773392051084306
Energy: 2.677311494993368
Energy: 2.637027135767752
Energy: 2.624635614645127
Energy: 2.9012329561283368
Energy: 2.9006097116478564
Energy: 2.6758039289862245
Energy: 2.901689895460431
Energy: 2.6346668461205343
Energy: 2.623853737228132
Energy: 2.689933163298628
Energy: 2.69101234990632
Energy: 2.722426772205367
Energy: 2.6267120666508115
Energy: 2.6342186398227265
Energy: 2.6262273207987157
Energy: 2.628375684746289
Energy: 2.626180454312338
Energy: 2.626083772083433
Energy: 2.6264191695947243
Energy: 2.635421821358722
Energy: 2.6262959188323167
Energy: 2.626947344963363
Energy: 2.689149738172019
Energy: 2.6279031993851483
Energy: 2.6255656841116513
Energy: 2.6356863408745737
Energy: 2.629608675575714
Energy: 2.676756965695377
Energy: 2.6264654330822226
Energy: 2.7105370515679827
Energy: 2.679421826950639
Energy: 2.62891226567761
Energy: 2.6281223947841004
Energy: 2.6252292893742797
Energy: 2.6272060403389963
Energy: 2.7153377200016853
Energy: 2.677455178635063
Energy: 2.6387312167735426
Energy: 2.7064065495267715
Energy: 2.6359687950059145
Energy: 2.6294708310476334
Energy: 2.627560945374592
Energy: 2.6789687881669675
Energy: 2.6279169662764965
Energy: 2.6285203263768335
Energy: 2.6917041108946806
Energy: 2.690224513953323
Energy: 2.627540751798862
Energy: 2.6257594617469655
Energy: 2.678801233494114
Energy: 2.6210470128902026
Energy: 2.624553868560954
Energy: 2.6405271547532676
Energy: 2.6250268571469655
Energy: 2.625932972228861
Energy: 2.6280419874004517
Energy: 2.6226086764884124
Energy: 2.6862443050917215
Energy: 2.6261965490533914
Energy: 2.629035296925185
Energy: 2.6263390516615885
Energy: 2.6382486835218177
Energy: 2.678678426802636
Energy: 2.678579558634534
Energy: 2.8994051281838806
Energy: 2.624083518631682
Energy: 2.9017956896570243
Energy: 2.6858467891957427
Energy: 2.7118905159931384
Energy: 2.902002780048955
Energy: 2.6366724045145644
Energy: 2.625309970857122
Energy: 2.6870521974789368
Energy: 2.9005023979735522
Energy: 2.718323639365149
Energy: 2.9000016871782015
Energy: 2.636358070215179
Energy: 2.6253237433534182
Energy: 2.9046073456631154
Energy: 2.9006979411967673
Energy: 2.6801174802458374
Energy: 2.6777700522606214
Energy: 2.899267243085253
Energy: 2.623378280998975
Energy: 2.90766200257909
Energy: 2.686708706362449
Energy: 2.6260694128751956
Energy: 2.6263708364233196
Energy: 2.626594349256775
Energy: 2.6299838019131982
Energy: 2.636828814507723
Energy: 2.633357396321797
Energy: 2.69872326888922
Energy: 2.6245128198314163
Energy: 2.633822968818317
Energy: 2.6248088704306696
Energy: 2.625788811387813
Energy: 2.6250800966283014
Energy: 2.6277124960897513
Energy: 2.6825406554695923
Energy: 2.6364817135676986
Energy: 2.629202090815794
Energy: 2.6258560750897577
Energy: 2.628137288933892
Energy: 2.711365856441064
Energy: 2.63752469313326
Energy: 2.627282573016204
Energy: 2.629562304733165
Energy: 2.6794489287327616
Energy: 2.717819917490769
Energy: 2.626360961914051
Energy: 2.68738723536264
Energy: 2.6863976196269848
Energy: 2.7089921588971517
Energy: 2.6773796102871845
Energy: 2.6279254186503707

minimum gb energy = 2.6210470128902026 eV
minimum distance =  2.56260282047975 Angstroms
sigma value = 19


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

Energy: 2.488536396600845
Energy: 2.41676739056162
Energy: -0.2791275522778811
Energy: 2.4065939050030125
Energy: -0.28186181886324907
Energy: 2.4154320942544385
Energy: -0.27038102036412776
Energy: -0.27586603365919277
Energy: -0.28104764664725096
Energy: 2.4051786232204737
Energy: -0.27592701492462113
Energy: -0.2790521350210079
Energy: 0.039904882505466095
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Energy: 0.9346202706483876
Energy: 0.9422290611147699
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Energy: -0.27839511737507117
Energy: 0.02983829677822787
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Energy: -0.28362739499018524
Energy: -0.2759211849182649
Energy: 0.03812850995407872
Energy: 0.9456647988031853
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Energy: -0.28390335875791733
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Energy: -0.2832453024837507
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Energy: 0.03570466076070911
Energy: 2.472548628221117
Energy: 2.474220838832525
Energy: 2.6902396264729758
Energy: 2.472274807639164
Energy: 2.6873267274837174
Energy: 0.03803709384740187
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Energy: -0.2858686028534098
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Energy: -0.28134699818128533
Energy: -0.2803799571099658
Energy: -0.273932085707707
Energy: 0.030943002392644855
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Energy: 2.472556196265026
Energy: -0.275122982167873
Energy: 2.6877078528466978
Energy: 0.03175029375867024
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Energy: 2.442000102842835
Energy: -0.28218264712891716
Energy: -0.28007536211165757
Energy: 2.691669949349492
Energy: 2.68631958341857
Energy: -0.2813592566405058
Energy: -0.2730348564063637
Energy: 2.4447094514107537
Energy: 0.03819367394365874
Energy: 0.04107427190350207
Energy: -0.2837643197983064
Energy: 0.03720567329420441
Energy: -0.27550494452448904
Energy: -0.27497267308589773
Energy: -0.2842639002240887
Energy: -0.28271182329498207
Energy: 0.027785671751804755
Energy: -0.2834281355782025
Energy: -0.27788099301856894
Energy: -0.2763638165808027
Energy: -0.27657618445468524
Energy: -0.2813949456719559
Energy: 2.481920517689178
Energy: 0.0720082724649354
Energy: -0.2794174131676456
Energy: -0.2817352778061999
Energy: -0.2807804471118911
Energy: -0.2817961233131582
Energy: -0.27775056109369795
Energy: -0.28062510116559425
Energy: -0.2778670450151361
Energy: 2.4846360589262604
Energy: 0.17938510543382902
Energy: -0.27078461042001506
Energy: -0.28427863340777776
Energy: -0.2800280342546051
Energy: 0.028336926760388695
Energy: 0.07080386407731828
Energy: 0.07150367975347308
Energy: -0.2782897246505541
Energy: -0.2790535557360905
Energy: 2.4153068897816143
Energy: -0.27697439818823794
Energy: -0.2820122069376869
Energy: -0.28321510246486076
Energy: -0.2810918393260059
Energy: 2.347963205294643

minimum gb energy = -0.40952708871447047 eV
minimum distance =  2.58274563012759 Angstroms
sigma value = 101


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

Energy: 2.4375355123758364
Energy: 2.408143382761912
Energy: 2.3997705507796634
Energy: 2.3919011984724916
Energy: 2.401496821167005
Energy: 2.3769200715717775
Energy: 2.3750695699083098
Energy: 2.3933768300063836
Energy: 2.388921005691508
Energy: 2.393822905097636
Energy: 2.39515097766407
Energy: 2.3966134992158237
Energy: 2.4025805813754273
Energy: 2.3884814972187565
Energy: 2.400566428190874
Energy: 2.372785411946792
Energy: 2.3945468239477385
Energy: 2.3963950729657557
Energy: 2.395192580055888
Energy: 2.3997913060966565
Energy: 2.3961277607076132
Energy: 2.388023759423923
Energy: 2.3930481192684967
Energy: 2.3956112058007726
Energy: 2.3725629296614006
Energy: 2.4260881673970416
Energy: 2.430587313919045
Energy: 2.420268056929075
Energy: 2.419036117097564
Energy: 2.4083071168436647
Energy: 2.394642920942932
Energy: 2.3927828648734457
Energy: 2.4317575691321434
Energy: 2.417034369539038
Energy: 2.4211866316402557
Energy: 2.403497039402267
Energy: 2.3916582726683178
Energy: 2.6230654487387945
Energy: 2.62376515443346
Energy: 2.64949899166178
Energy: 2.626278861033486
Energy: 2.6216516965725196
Energy: 2.3876301502766357
Energy: 2.3876951372275643
Energy: 2.432550749210949
Energy: 2.4187200368953947
Energy: 2.4198771903561296
Energy: 2.3978738587388837
Energy: 2.392172062770021
Energy: 2.622905656217883
Energy: 2.622847545216111
Energy: 2.3873487357721612
Energy: 2.6246169232876793
Energy: 2.6208838845710996
Energy: 2.3926509139340495
Energy: 2.3937859811037865
Energy: 2.4213724803835093
Energy: 2.388399418463038
Energy: 2.6236418976949496
Energy: 2.4020111830286877
Energy: 2.398895254471757
Energy: 2.424469153194199
Energy: 2.387958922798308
Energy: 2.4214760306262986
Energy: 2.392918347036978
Energy: 2.42241468749274
Energy: 2.4105939013331277
Energy: 2.388031380141456
Energy: 2.3931296092615475
Energy: 2.3871242218298883
Energy: 2.393146808493804
Energy: 2.424124086292543
Energy: 2.396204195365318
Energy: 2.3944868193141304
Energy: 2.3936072580836667
Energy: 2.398087237391515
Energy: 2.393040720163479
Energy: 2.39835679311333
Energy: 2.3995976953896574
Energy: 2.395396469740988
Energy: 2.4619715319592124
Energy: 2.3791500359778412
Energy: 2.39291216553181
Energy: 2.429455224974951
Energy: 2.3773111827068685
Energy: 2.423601529497616
Energy: 2.3883462578633083
Energy: 2.3890685959619007
Energy: 2.397807465864484
Energy: 2.3928369839168435
Energy: 2.386973052037015
Energy: 2.4576224135810394
Energy: 2.3876332921051375
Energy: 2.398954446301694
Energy: 2.3959625355574694
Energy: 2.3998222623707446
Energy: 2.3971009255233597
Energy: 2.396008971216334
Energy: 2.3728099545050148
Energy: 2.417578075918986
Energy: 2.3925800112717788
Energy: 2.406076564024162
Energy: 2.3898168541787412
Energy: 2.404918669894218
Energy: 2.457262589884607
Energy: 2.416025330215986
Energy: 2.392740402631287
Energy: 2.3963675596112286
Energy: 2.4161473682467194
Energy: 2.3927169313481285
Energy: 2.394392441010171
Energy: 2.4142616826332723
Energy: 2.394412318940087
Energy: 2.409317756002431
Energy: 2.3648346679900394
Energy: 2.3926289357996207
Energy: 2.3959624751990196
Energy: 2.3962530658826964
Energy: 2.39671071305916
Energy: 2.3912463853948807
Energy: 2.4160425571478483
Energy: 2.4182535100038343
Energy: 2.4268372579591313
Energy: 2.3817790294721743
Energy: 2.4240358333973853
Energy: 2.428562852502548
Energy: 2.4202875037028093
Energy: 2.4193111860976395
Energy: 2.3972392117045644
Energy: 2.396520948216819
Energy: 2.4196738782309297
Energy: 2.4289079981214745
Energy: 2.3872686803120717
Energy: 2.6259794341568243
Energy: 2.393794598091033
Energy: 2.3890320577468787
Energy: 2.6242528417107795
Energy: 2.817656647299083
Energy: 2.4182601358623366
Energy: 2.41987725371132
Energy: 2.6222529647605195
Energy: 2.392675465107928
Energy: 2.625020032410689
Energy: 2.4271205719079183
Energy: 2.387249016886873
Energy: 2.6230387283779386
Energy: 2.6214491771067974
Energy: 2.3943289584324208
Energy: 2.82288297856984
Energy: 2.4201846003938305
Energy: 2.3873847698975967
Energy: 2.815564632551945
Energy: 2.3761204775826883
Energy: 2.3901754343096253
Energy: 2.6239727711928644
Energy: 2.626244452318939
Energy: 2.419219360105934
Energy: 2.425180229932101
Energy: 2.422405308874934
Energy: 2.412819692344253
Energy: 2.387723151663017
Energy: 2.4288726280311144
Energy: 2.3894592532750187
Energy: 2.4200262887954787
Energy: 2.421154104181047
Energy: 2.3985630333564236
Energy: 2.420893842739231
Energy: 2.422727892425003
Energy: 2.390955201336555
Energy: 2.3923728502641675
Energy: 2.395019400060596
Energy: 2.395170261890485
Energy: 2.394662506301667
Energy: 2.3946301700370323
Energy: 2.3944435609630212
Energy: 2.392916923105632
Energy: 2.4321722700140556
Energy: 2.4175095181880377
Energy: 2.41975027070657
Energy: 2.3917224529356695
Energy: 2.390229328451185
Energy: 2.38809349074243
Energy: 2.3939202850946404
Energy: 2.3864305098148337
Energy: 2.4222344306412924
Energy: 2.3956821551161696
Energy: 2.404975813923704
Energy: 2.3991803383086356
Energy: 2.392932253294066
Energy: 2.387048934759459
Energy: 2.422734033864812
Energy: 2.40807233065948
Energy: 2.36671436611613
Energy: 2.423346171540521
Energy: 2.4132696550677055
Energy: 2.4034959682194845
Energy: 2.4220165755758956
Energy: 2.3702009313333434

minimum gb energy = 2.3648346679900394 eV
minimum distance =  2.57631328897985 Angstroms
sigma value = 33


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

Energy: 0.018237256129650666
Energy: 0.008966719398554786
Energy: 0.005450792406013211
Energy: 0.00625620930654487
Energy: 0.009676465514331928
Energy: 0.01675589153781506
Energy: 0.018682419188687713
Energy: 0.2341568964972382
Energy: 0.241157239382034
Energy: 0.2520808946432347
Energy: 0.2279877016860253
Energy: 0.2465952478782409
Energy: 1.5045833506182333
Energy: 0.009117998668433668
Energy: 0.016595981160977945
Energy: 0.018882640208760928
Energy: 0.0033637267884459813
Energy: 0.008624846499253064
Energy: 0.01868241918642801
Energy: 0.2341568964978193
Energy: 0.24115723938032313
Energy: 0.2520808946432347
Energy: 0.22798770168489546
Energy: 0.24659524787940304

minimum gb energy = 0.0033637267884459813 eV
minimum distance =  2.70835637536867 Angstroms
sigma value = 1