Model name: model_name=Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917386054992676
cohesive_energy=5.770237530861869
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.00749527886932e-20, 1.3920671902172398e-19, 2.9286987781202996e-19, 4.37844432716154e-19, 5.61534071037588e-19, 6.61984137282852e-19, 7.4065261218888595e-19, 8.00064526130874e-19, 8.429820316258319e-19, 8.72039107060056e-19, 8.89582941202356e-19, 9.005081836696018e-19, 9.09281702917386e-19, 9.15993220837212e-19, 9.20713233200976e-19, 9.2350262272077e-19, 9.24420669932052e-19, 9.23419309535802e-19, 9.2014606267254e-19, 9.141379002950399e-19, 9.048340605814019e-19, 8.91552016285542e-19, 8.734586355577798e-19, 8.495301275289899e-19, 8.18502374834946e-19, 7.78800437844426e-19, 7.284600480041459e-19, 6.649994337080399e-19, 5.85262306987128e-19, 4.85212784900364e-19, 3.596085455013e-19, 2.0160028367958598e-19, 2.11349528497476e-21, -2.51184446148618e-19, -5.76612155340162e-19, -1.0001283224184538e-18, -1.558176057100458e-18, -2.301526734741e-18, -3.3001474089468596e-18, -4.65276901043502e-18, -6.536720449056599e-18, -9.24164321670612e-18, -1.3329693028955159e-17, -1.98738796211262e-17, -3.06166341697596e-17, -4.98703112158644e-17, -8.889292531356839e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01895239521048416
Energy: 0.8861048744514405
Energy: 0.8732755682100293
Energy: 0.0225114292907179
Energy: 0.8807820355597996
Energy: 0.019824010832366096
Energy: 0.8861048744511735
Energy: 0.8223231122753837
Energy: 0.5213005917915776
Energy: 0.5200851687582843
Energy: 0.8090365629752057
Energy: 0.5190997944444978
Energy: 0.8732755682113349
Energy: 0.5213005918135063
Energy: 0.12686907992428204
Energy: 0.8766765578678584
Energy: 0.5091393381902282
Energy: 0.1283182242230179
Energy: 0.022511429290984965
Energy: 0.5200851688096788
Energy: 0.8766765578668198
Energy: 0.01939329097936058
Energy: 0.5076774083903731
Energy: 0.01998699291011491
Energy: 0.8807820355579599
Energy: 0.8090365614811748
Energy: 0.5091393381902282
Energy: 0.5076774083903731
Energy: 0.7961923006137243
Energy: 0.5063946475788015
Energy: 0.019824010832366096
Energy: 0.5190997944434593
Energy: 0.12831822422432354
Energy: 0.01998699291011491
Energy: 0.5063946475788015
Energy: 0.02080780061814754

minimum gb energy = 0.01895239521048416 eV
minimum distance =  2.76127687834111 Angstroms
sigma value = 1


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

Energy: 1.7206647097820933
Energy: 1.7585116374104905
Energy: 1.4923834282790445
Energy: 1.7216025156335026
Energy: 1.9306336869515661
Energy: 1.5597323926845963
Energy: 1.5664147185256148
Energy: 1.1532552818242086
Energy: 1.1563660299979723
Energy: 1.5655814123278482
Energy: 1.155723227634703
Energy: 1.1528861552001366
Energy: 1.643106005691161
Energy: 1.1604178395353641
Energy: 1.1641467649256605
Energy: 1.613216440767586
Energy: 1.179062599737962
Energy: 1.1370948243987549
Energy: 1.7471040200765044
Energy: 1.6324041687859545
Energy: 1.5503646663948019
Energy: 1.7500751971184196
Energy: 1.7246128211377303
Energy: 1.5406719673590008
Energy: 1.5771261099296352
Energy: 1.270334800964972
Energy: 1.254408328842384
Energy: 1.4882138524396111
Energy: 1.2751702338589743
Energy: 1.2418109072374226
Energy: 1.487069980503936
Energy: 1.1769063307011347
Energy: 1.176555608144979
Energy: 1.4890879835186646
Energy: 1.2568249037077162
Energy: 1.1774316352064094
Energy: 1.5124192199038256
Energy: 1.4275412158715368
Energy: 1.4131811208111598
Energy: 1.5154565195442908
Energy: 1.4840678558057665
Energy: 1.395333771094738
Energy: 1.400056205192549
Energy: 1.330473647847686
Energy: 1.3057682224064475
Energy: 1.451703374021959
Energy: 1.3686088747306617
Energy: 1.4210083301744103
Energy: 1.2341141793704196
Energy: 1.1977025898393496
Energy: 1.2048054020710888
Energy: 1.2365842084791785
Energy: 1.4400833649348752
Energy: 1.1724897013160076
Energy: 1.2934870035805996
Energy: 1.306458949558623
Energy: 1.2795429203049549
Energy: 1.2826700652991283
Energy: 1.3640097919434913
Energy: 1.279588813600869
Energy: 1.7235747558717898
Energy: 1.5820919628521146
Energy: 1.5116166788532475
Energy: 1.726660132251958
Energy: 1.621097522384602
Energy: 1.5606550420528609
Energy: 1.1786877680334709
Energy: 1.1990000219610282
Energy: 1.1995061757014438
Energy: 1.1810066581693193
Energy: 1.5467319035314946
Energy: 1.1661347745653152
Energy: 1.2917268796056718
Energy: 1.2052406367030095
Energy: 1.208087108708966
Energy: 1.2825644570404582
Energy: 1.574381425117308
Energy: 1.1634944445863244
Energy: 1.9583936993114548
Energy: 1.6007219788015765
Energy: 1.5028238429910556
Energy: 1.9608040325082503
Energy: 1.780834801037172
Energy: 1.6823942713907023
Energy: 1.3267527843778013
Energy: 1.2627467104915517
Energy: 1.203417737858132
Energy: 1.2616981551434856
Energy: 1.3478845113642206
Energy: 1.2040202636930828
Energy: 1.183155045065787
Energy: 1.190738362936552
Energy: 1.1944798206562586
Energy: 1.179517034864661
Energy: 1.5392293661627385
Energy: 1.1936784214855436
Energy: 1.5783912510892826
Energy: 1.4095485380836348
Energy: 1.4121818661582046
Energy: 1.5334488760476526
Energy: 1.5186315529060777
Energy: 1.3108278544982557
Energy: 1.3390270631733965
Energy: 1.359831355870254
Energy: 1.3451943383442297
Energy: 1.3407990318162522
Energy: 1.494221974285137
Energy: 1.3221754561350383
Energy: 1.387444854874054
Energy: 1.2183027461773244
Energy: 1.1797496628866655
Energy: 1.3913196184755914
Energy: 1.3692080624732703
Energy: 1.1769208607237265
Energy: 1.5356982412532203
Energy: 1.3630988698870237
Energy: 1.3222408322396695
Energy: 1.4754023170835284
Energy: 1.3926225248403499
Energy: 1.3017772914684562
Energy: 1.5899335538305486
Energy: 1.5425884730607304
Energy: 1.4572776168114712
Energy: 1.592700543957191
Energy: 1.57443018273789
Energy: 1.4226690259036057
Energy: 1.5792397370128932
Energy: 1.1965752321160397
Energy: 1.17756901443258
Energy: 1.5827618250984334
Energy: 1.1855132054703417
Energy: 1.1546452482891651
Energy: 1.5689876536601848
Energy: 1.1916410647597033
Energy: 1.2222870313570005
Energy: 1.5145761160805815
Energy: 1.1900014411710091
Energy: 1.2200536505534192

minimum gb energy = 1.1370948243987549 eV
minimum distance =  2.48946927494115 Angstroms
sigma value = 33


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

Energy: 1.7648835014266064
Energy: 1.4135719010604284
Energy: 1.4107628068812903
Energy: 1.767160606020776
Energy: 1.7806328157804545
Energy: 1.5836592876383895
Energy: 1.6018025109619087
Energy: 1.153928179988833
Energy: 1.1546804814250757
Energy: 1.5114186300405117
Energy: 1.157658426768707
Energy: 1.106804937975279
Energy: 1.484708987466256
Energy: 1.1077343026745694
Energy: 1.1058026644171077
Energy: 1.4862480736796357
Energy: 1.1036716387442989
Energy: 1.0752909032985456
Energy: 1.506121660919429
Energy: 1.5678662275759192
Energy: 1.491895581901647
Energy: 1.5072064809878833
Energy: 1.4761045355662774
Energy: 1.3079599122930523
Energy: 1.5035601458929777
Energy: 1.207944352551932
Energy: 1.24846269046594
Energy: 1.5039174145764957
Energy: 1.2340268783386317
Energy: 1.2063773297920901
Energy: 1.5779133705593846
Energy: 1.2552387090938197
Energy: 1.2121537337061927
Energy: 1.55704184377652
Energy: 1.283140223294439
Energy: 1.2065047954340968
Energy: 1.5555311721093288
Energy: 1.3533898305361551
Energy: 1.3254606327800929
Energy: 1.5575921231483243
Energy: 1.3538688207253857
Energy: 1.3414048717728408
Energy: 1.3716308520983793
Energy: 1.1855377723965212
Energy: 1.2027833133208354
Energy: 1.3146467848622037
Energy: 1.1796875890424028
Energy: 1.215946700001387
Energy: 1.3013531121940116
Energy: 1.2254188750647115
Energy: 1.2351891220866662
Energy: 1.195843069692375
Energy: 1.3544392133009369
Energy: 1.1153783732653004
Energy: 1.243425348229508
Energy: 1.2066834716964057
Energy: 1.2082205177581766
Energy: 1.2457362880172314
Energy: 1.3712062377959273
Energy: 1.2058629759204176
Energy: 1.3885357652404664
Energy: 1.7120631913096005
Energy: 1.5855078986211912
Energy: 1.3909071286491952
Energy: 1.7717093572626588
Energy: 1.479490813552985
Energy: 1.1569951143338713
Energy: 1.322059010033135
Energy: 1.1528727370773817
Energy: 1.155513503188709
Energy: 1.6928569043536936
Energy: 1.1512869633495777
Energy: 1.1120635755656147
Energy: 1.1065496941055741
Energy: 1.1049797049268553
Energy: 1.1082968956508965
Energy: 1.2086326421462807
Energy: 1.1489470889038225
Energy: 1.7869937285687907
Energy: 1.3084877575137415
Energy: 1.304681888288437
Energy: 1.7865732249220827
Energy: 1.5081032811399693
Energy: 1.3072616810028765
Energy: 1.2325675630920103
Energy: 1.2099319739222751
Energy: 1.2078232536960762
Energy: 1.2345387179256255
Energy: 1.5118688047640472
Energy: 1.2100301635631332
Energy: 1.1946615815806998
Energy: 1.319505173427424
Energy: 1.1855114474128448
Energy: 1.190764173775912
Energy: 1.5319629987854653
Energy: 1.1906206993406558
Energy: 1.4350026674581322
Energy: 1.3031487682467866
Energy: 1.302002525260385
Energy: 1.4370061566031695
Energy: 1.481718326768036
Energy: 1.4112233908459617
Energy: 1.3149904514883282
Energy: 1.1925287275497762
Energy: 1.19419382733081
Energy: 1.2262636180016433
Energy: 1.3522711044238838
Energy: 1.2038723949832248
Energy: 1.3190195976285495
Energy: 1.1692680006091014
Energy: 1.1997772701574019
Energy: 1.224074157542099
Energy: 1.1947968264000097
Energy: 1.1172327385719547
Energy: 1.5916649282638347
Energy: 1.2068969056714842
Energy: 1.1900077342263544
Energy: 1.410627284193155
Energy: 1.255332863893669
Energy: 1.1856929815367425
Energy: 1.7695290955431102
Energy: 1.3924948736517277
Energy: 1.5113465630946923
Energy: 1.7718681285357258
Energy: 1.3925513970677472
Energy: 1.58733254939929
Energy: 1.7227910340081793
Energy: 1.1542831776990552
Energy: 1.151208095467039
Energy: 1.7484515432820051
Energy: 1.155245314130184
Energy: 1.1522841418458194
Energy: 1.6721264421127362
Energy: 1.1035326794433378
Energy: 1.1060369143565876
Energy: 1.5080284339130559
Energy: 1.1070122414483827
Energy: 1.1052486029511925
Energy: 1.5021027664881417
Energy: 1.8277386809564473
Energy: 1.8453773100606943
Energy: 1.5048035431094435
Energy: 1.7785533989780056
Energy: 1.3083772373384703
Energy: 1.672873024603621
Energy: 1.2115875130804692
Energy: 1.210631455509611
Energy: 1.4880542482999637
Energy: 1.2320386520244995
Energy: 1.2092544545712203
Energy: 1.5270420661059416
Energy: 1.195673602396845
Energy: 1.1984147611309193
Energy: 1.5291472858521813
Energy: 1.191273855003625
Energy: 1.1910165828061234
Energy: 1.4799344990376935
Energy: 1.3823707864463566
Energy: 1.4101367144920607
Energy: 1.4816533109722068
Energy: 1.434688805971917
Energy: 1.4108999682161538
Energy: 1.4566114465553053
Energy: 1.2169262262756722
Energy: 1.2062251418162258
Energy: 1.351151523328203
Energy: 1.2238370769472326
Energy: 1.193719392586597
Energy: 1.325050630598726
Energy: 1.2183770812297234
Energy: 1.214300652098516
Energy: 1.326928275106706
Energy: 1.2247590456372524
Energy: 1.1299304308961022
Energy: 1.2436578412696455
Energy: 1.2920307744329838
Energy: 1.2426778541051593
Energy: 1.1506281404096803
Energy: 1.247956044791867
Energy: 1.189268935876381
Energy: 1.3581614959852024
Energy: 1.7139209628893846
Energy: 1.603567093116645
Energy: 1.354008270206893
Energy: 1.7786781783535488
Energy: 1.5105270280036036
Energy: 1.1546336174419345
Energy: 1.4686640164708553
Energy: 1.278306066922952
Energy: 1.1529402932248578
Energy: 1.7530160533110903
Energy: 1.1518608670167352
Energy: 1.1101573876829527
Energy: 1.2106697700503006
Energy: 1.2072368778677733
Energy: 1.1099226390164083
Energy: 1.5129025937326366
Energy: 1.1111339651533483
Energy: 1.7825246237222105
Energy: 1.4832329818403598
Energy: 1.303663891759009
Energy: 1.7817117971455194
Energy: 1.5073428612867943
Energy: 1.3078580545487397
Energy: 1.2316369478675933
Energy: 1.2106770352212624
Energy: 1.2112295154035224
Energy: 1.230439364290702
Energy: 1.2449666661554766
Energy: 1.2130623894164982
Energy: 1.188329080510543
Energy: 1.3188794228876377
Energy: 1.1912347933580325
Energy: 1.1898165670811225
Energy: 1.5049686666835773
Energy: 1.1980143062386421
Energy: 1.43300017564144
Energy: 1.464716303677307
Energy: 1.3879285480617023
Energy: 1.4354371846072274
Energy: 1.4807572542163288
Energy: 1.378127600378936
Energy: 1.3400599173258982
Energy: 1.3138005793916485
Energy: 1.1929765370552248
Energy: 1.3440528899603161
Energy: 1.3699328849320973
Energy: 1.3120322728640126
Energy: 1.2245350325072406
Energy: 1.2981038427585039
Energy: 1.3000091364518302
Energy: 1.225676917855848
Energy: 1.353308100321383
Energy: 1.219394010047911
Energy: 1.589291208546197
Energy: 1.1861087991939738
Energy: 1.191254959419239
Energy: 1.2459676312194652
Energy: 1.1507227989770548
Energy: 1.2468016225106935
Energy: 1.7794509695894998
Energy: 1.3519919001199803
Energy: 1.5103199715388094
Energy: 1.7814078584816413
Energy: 1.3569737392915655
Energy: 1.2799029830543358

minimum gb energy = 1.0752909032985456 eV
minimum distance =  2.4992774872418 Angstroms
sigma value = 51


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

Energy: 1.6609716539806842
Energy: 1.6622173036693366
Energy: 1.7189477876611632
Energy: 1.664475812652415
Energy: 1.8800485752818266
Energy: 1.4674141514586618
Energy: 1.7102039688365893
Energy: 1.111028164502865
Energy: 1.1776297198724788
Energy: 1.608924844964655
Energy: 1.1121223314979063
Energy: 1.177121860224257
Energy: 1.5340255461549956
Energy: 1.1676528833851587
Energy: 1.1683616696906722
Energy: 1.6212517398400472
Energy: 1.189973749745528
Energy: 1.1070065979394026
Energy: 1.480989990227296
Energy: 1.64960266381837
Energy: 1.6653885040454022
Energy: 1.4830483958631613
Energy: 1.5489830586373297
Energy: 1.3759442118435545
Energy: 1.5374280822509678
Energy: 1.308959928642466
Energy: 1.3111694935707436
Energy: 1.5381320152247062
Energy: 1.34051203407378
Energy: 1.325602946253835
Energy: 1.3534421429220238
Energy: 1.347726724631824
Energy: 1.2904424933037082
Energy: 1.3433491886954947
Energy: 1.3310840144667015
Energy: 1.2679651463408164
Energy: 1.3414141326545888
Energy: 1.3518403887999695
Energy: 1.3460308971509116
Energy: 1.34233281579878
Energy: 1.3521548367837106
Energy: 1.3210303468608224
Energy: 1.4271790616229938
Energy: 1.6199083003130503
Energy: 1.2386610736512575
Energy: 1.4277184171903055
Energy: 1.6812616837762422
Energy: 1.389569076762828
Energy: 1.2601359947404234
Energy: 1.279877520410702
Energy: 1.238905304975661
Energy: 1.18983660173492
Energy: 1.669112546654793
Energy: 1.1383347091816873
Energy: 1.1839948855017115
Energy: 1.1304581793706454
Energy: 1.1398011259999523
Energy: 1.146567639092655
Energy: 1.3537825431539003
Energy: 1.177658576736638
Energy: 1.8931106976600836
Energy: 1.7349534803457551
Energy: 1.6259058492668885
Energy: 1.895487818644204
Energy: 1.770675247280898
Energy: 1.5650416958872664
Energy: 1.2235127121220313
Energy: 1.1316938954130802
Energy: 1.1301623924265736
Energy: 1.2233439068456162
Energy: 1.3591986123105237
Energy: 1.2519508614668713
Energy: 1.2354078703442393
Energy: 1.291387549176431
Energy: 1.2508414131305443
Energy: 1.2376265889037537
Energy: 1.553369740647808
Energy: 1.243561373202406
Energy: 1.3164897146611019
Energy: 1.4257312405300009
Energy: 1.3906239930999316
Energy: 1.3164440511588402
Energy: 1.4718605271842429
Energy: 1.378934664631663
Energy: 1.4350451020746722
Energy: 1.3690247149217718
Energy: 1.3637205147195202
Energy: 1.4389720748177282
Energy: 1.5449210215470035
Energy: 1.3554999957448868
Energy: 1.3504038596845
Energy: 1.30246353357165
Energy: 1.319867427185909
Energy: 1.31980117933366
Energy: 1.286774428613514
Energy: 1.2890117188234456
Energy: 1.607210026659284
Energy: 1.1915232690250557
Energy: 1.2265325036061274
Energy: 1.5413813721602827
Energy: 1.1766386295787177
Energy: 1.2250722812908004
Energy: 1.766431466673613
Energy: 1.2434716608955048
Energy: 1.185556061745433
Energy: 1.76690324306903
Energy: 1.2437787050363576
Energy: 1.186518302346836

minimum gb energy = 1.1070065979394026 eV
minimum distance =  2.47921705163273 Angstroms
sigma value = 19


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

Energy: 1.288251109151288
Energy: 1.115551201280348
Energy: 1.236717695925459
Energy: 1.2912845920127367
Energy: 1.5424460054419524
Energy: 1.231971002083558
Energy: 1.463555184840393
Energy: 1.1092034340708246
Energy: 1.1101593581112215
Energy: 1.4748262737201763
Energy: 1.0637052580174369
Energy: 1.1092904239910069
Energy: 1.4987088055587041
Energy: 1.1091826281832686
Energy: 1.1097194955544547
Energy: 1.4772866589029314
Energy: 1.1096323445762717
Energy: 1.1089027594045666
Energy: 1.6972927398050524
Energy: 1.218853195819883
Energy: 1.2177107850696303
Energy: 1.496606233600619
Energy: 1.1644563258859006
Energy: 1.2173440667222324
Energy: 1.501640411226591
Energy: 1.2346125622604383
Energy: 1.0634719515005757
Energy: 1.4930195524953827
Energy: 1.2342748357695568
Energy: 1.0652873946428738
Energy: 1.2200492800725038
Energy: 1.1773759776705353
Energy: 1.2575890861686976
Energy: 1.220000418833127
Energy: 1.082384739161473
Energy: 1.2602362706618306
Energy: 1.308133760944556
Energy: 1.2964303841726719
Energy: 1.168859511392179
Energy: 1.308131567115256
Energy: 1.4530373805979075
Energy: 1.169009555343078
Energy: 1.2823623567896782
Energy: 1.2322017092838493
Energy: 1.233255746552818
Energy: 1.2830155174260123
Energy: 1.2899183718930203
Energy: 1.2310846652410792
Energy: 1.1889809565247385
Energy: 1.3822862512598568
Energy: 1.3285215132414372
Energy: 1.1895696824958106
Energy: 1.4501484707039434
Energy: 1.3271943134379136
Energy: 1.1092480099963111
Energy: 1.0638385026637518
Energy: 1.0666461103420126
Energy: 1.1093769982048856
Energy: 1.5021489448259269
Energy: 1.0638172386628864
Energy: 1.5431030002519122
Energy: 1.2804407896379133
Energy: 1.2873983092077743
Energy: 1.542883700015078
Energy: 1.2034383892664335
Energy: 1.6234228032295934
Energy: 1.2607883958685941
Energy: 1.1233218464796455
Energy: 1.122726131068497
Energy: 1.273600559773727
Energy: 1.5001811108251961
Energy: 1.065636506293701
Energy: 1.156713315540961
Energy: 1.2563171332321343
Energy: 1.2050576772097077
Energy: 1.2000476029229006
Energy: 1.2769631506553094
Energy: 1.2037644768345857
Energy: 1.4468123296943483
Energy: 1.204858179149355
Energy: 1.1711226264853125
Energy: 1.4528932822069465
Energy: 1.2205435803948823
Energy: 1.1694429080285123
Energy: 1.4437546422203467
Energy: 1.2819102074495752
Energy: 1.2577772224318107
Energy: 1.4493691791669778
Energy: 1.282164577861401
Energy: 1.3279725505455398
Energy: 1.2887344480476237
Energy: 1.110587381273099
Energy: 1.2289632648483235
Energy: 1.2893280415710908
Energy: 1.1100956750552782
Energy: 1.2327544735360507
Energy: 1.4994764156071783
Energy: 1.064148065589958
Energy: 1.064445133482831
Energy: 1.4889053113754298
Energy: 1.1096123239707791
Energy: 1.064458689497696
Energy: 1.4640242816046731
Energy: 1.1096567048154786
Energy: 1.1094844684462828
Energy: 1.4198749925686727
Energy: 1.1116388260720405
Energy: 1.2586136948594076
Energy: 1.6974264781512718
Energy: 1.0636196798879218
Energy: 1.1229742661114108
Energy: 1.4968159484663655
Energy: 1.2799327275597572
Energy: 1.1229273370522097
Energy: 1.277112941812365
Energy: 1.07957325944151
Energy: 1.2346948504682023
Energy: 1.2768547119257323
Energy: 1.0839534961185076
Energy: 1.2347681096948457
Energy: 1.2203625535143194
Energy: 1.2938959121953157
Energy: 1.293162157334793
Energy: 1.2224036587675828
Energy: 1.2570898565548017
Energy: 1.2028670454323136
Energy: 1.2590067185387377
Energy: 1.257196811416362
Energy: 1.2358556630585893
Energy: 1.2588047994245952
Energy: 1.4749012530075867
Energy: 1.2340218928583526
Energy: 1.246945054387335
Energy: 1.233828888753748
Energy: 1.2323971589831748
Energy: 1.1638047605663304
Energy: 1.2949824476694483
Energy: 1.2348361161489383
Energy: 1.063733282341739
Energy: 1.363612518350634
Energy: 1.1102601730257429
Energy: 1.0635858721622418
Energy: 1.463099107752763
Energy: 1.109050069926155
Energy: 1.1134588991549048
Energy: 1.2831899021865538
Energy: 1.0657237573371692
Energy: 1.110464838114573
Energy: 1.2574919480131619
Energy: 1.063766617322603
Energy: 1.5687705165829637
Energy: 1.2016693405200831
Energy: 1.2506977738159046
Energy: 1.5685444891945892
Energy: 1.1814822084287562
Energy: 1.6346940867835642
Energy: 1.3575121548001088
Energy: 1.124745749158152
Energy: 1.296611114227404
Energy: 1.261100061653259
Energy: 1.495167783648672
Energy: 1.0638152953920919
Energy: 1.156464923502843
Energy: 1.2024584973500723
Energy: 1.2049092737522975
Energy: 1.0831024638902302
Energy: 1.2203920529155454
Energy: 1.2577711429570397
Energy: 1.4462735216991478
Energy: 1.1725688691353013
Energy: 1.1688157793292855
Energy: 1.4540126524784212
Energy: 1.220837879365275
Energy: 1.1689226420254697
Energy: 1.288820428014058
Energy: 1.2821153508724574
Energy: 1.2309777975433096
Energy: 1.2892211300970349
Energy: 1.2827020008453556
Energy: 1.2289978100893943

minimum gb energy = 1.0634719515005757 eV
minimum distance =  2.47429402391758 Angstroms
sigma value = 27


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

Energy: 1.7698145969037764
Energy: 1.3722086250349048
Energy: 1.3752246665894898
Energy: 1.132419873750143
Energy: 1.7913362476886616
Energy: 1.524166102182245
Energy: 1.7142587914882614
Energy: 1.0929558480904151
Energy: 1.0933658753946947
Energy: 1.5184289243249596
Energy: 1.0928199035595811
Energy: 1.093839972188841
Energy: 1.5591019730478561
Energy: 1.0799650145443882
Energy: 1.0790630607062603
Energy: 1.233941575929022
Energy: 1.0828108638296718
Energy: 1.1181157213660795
Energy: 1.4515125065189272
Energy: 1.407130004188502
Energy: 1.1732944369505511
Energy: 1.4816710154885484
Energy: 1.3499136003784749
Energy: 1.150982799729211
Energy: 1.4104619491133235
Energy: 1.3190711186506447
Energy: 1.2060455946956041
Energy: 1.2072160695381902
Energy: 1.3656313465403116
Energy: 1.2632872702452442
Energy: 1.1057030741775606
Energy: 1.127308789587548
Energy: 1.1193297682346837
Energy: 1.0975261773387865
Energy: 1.1427993800091636
Energy: 1.1495709381329842
Energy: 1.1391933972745234
Energy: 1.0496349366723352
Energy: 1.0901074751547415
Energy: 1.1403837311675966
Energy: 1.145929305931989
Energy: 1.1421689212782828
Energy: 1.0521857582316936
Energy: 1.323082959461001
Energy: 1.3249835609275824
Energy: 1.049041124091863
Energy: 1.441962512489897
Energy: 1.312967099180957
Energy: 1.2886704723398996
Energy: 1.2607221485992999
Energy: 1.4138076762683518
Energy: 1.122279072616828
Energy: 1.582375576948519
Energy: 0.9325392788584255
Energy: 1.0874094145695818
Energy: 1.246570486728557
Energy: 1.2433810144078228
Energy: 1.1201025355583707
Energy: 1.311218339698444
Energy: 1.1201604583932168
Energy: 1.2173838796837617
Energy: 1.0960006408647767
Energy: 1.09719401938153
Energy: 1.2118548794295467
Energy: 1.0985332144263174
Energy: 1.2082870548579632
Energy: 1.7142587913861478
Energy: 1.1224111062440039
Energy: 1.1200309360606349
Energy: 1.4739554006351907
Energy: 1.236020759683847
Energy: 1.1196884773023421

minimum gb energy = 0.9325392788584255 eV
minimum distance =  2.53444587661538 Angstroms
sigma value = 9


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

Energy: 1.600940505222648
Energy: 1.5482652074723946
Energy: 1.2859283896900713
Energy: 1.60394966732191
Energy: 1.764234155800513
Energy: 1.3985761920390998
Energy: 1.6179468258990846
Energy: 0.9133067853508076
Energy: 0.9149970115880524
Energy: 1.4702275640084725
Energy: 0.9931983639810248
Energy: 0.97418415194987
Energy: 1.1341338089926196
Energy: 0.9075268592474924
Energy: 0.9202504699766167
Energy: 0.9346053255417935
Energy: 0.9004708576287814
Energy: 0.9222491484208223
Energy: 1.1295631451615207
Energy: 1.184770018876869
Energy: 1.0255729161767126
Energy: 1.130316235867218
Energy: 1.0368653031152657
Energy: 1.0637269474320055
Energy: 1.366682935100612
Energy: 1.2034839610609265
Energy: 1.1697710574319837
Energy: 1.3694632370444453
Energy: 1.1901670379446478
Energy: 1.0758320609375989
Energy: 0.9540988906439736
Energy: 1.3061510979149107
Energy: 1.3193478444763218
Energy: 0.9574695677053714
Energy: 1.3383438960042546
Energy: 1.0978984226162
Energy: 0.9326494588258947
Energy: 0.9721198564096981
Energy: 0.9344737814799883
Energy: 0.9357230380225433
Energy: 1.2996985963313332
Energy: 0.9331392413173855
Energy: 0.9849808174608079
Energy: 1.223753197781355
Energy: 1.1870150745549317
Energy: 0.9853356585643366
Energy: 1.1817388857470401
Energy: 0.95095660600323
Energy: 1.4093335333435304
Energy: 1.0129677847480778
Energy: 1.1561723860976283
Energy: 1.4117708116247687
Energy: 1.096692676826747
Energy: 1.0299056971937441
Energy: 1.331663121142983
Energy: 1.1712009835879587
Energy: 0.9746758964666894
Energy: 1.3356374208467165
Energy: 1.1953420844170217
Energy: 1.1430540665393583
Energy: 1.380219580539873
Energy: 0.8993111144366088
Energy: 0.8989519619442022
Energy: 1.0976434226530087
Energy: 0.9038865581036033
Energy: 0.8990059328918518
Energy: 1.5410653863151442
Energy: 0.8934752031363281
Energy: 0.8935102465237865
Energy: 1.5208864105088473
Energy: 0.8995546132764639
Energy: 0.8940718630075702
Energy: 1.4241544064010143
Energy: 1.425218204216677
Energy: 1.1825431052997486
Energy: 1.427679304679177
Energy: 1.42710318617977
Energy: 1.2790228069662217
Energy: 1.5372536806833434
Energy: 1.086665756372753
Energy: 1.1922951175303946
Energy: 1.3816768291541868
Energy: 1.3527658979475197
Energy: 1.0430060693404075
Energy: 0.9901980424544122
Energy: 0.9381842213896647
Energy: 1.056520789687798
Energy: 0.9931076997618262
Energy: 0.9383235771211355
Energy: 1.1112950195063191
Energy: 0.9350221951055837
Energy: 0.94929194952043
Energy: 0.9547965479175026
Energy: 0.9368914838185909
Energy: 1.1218909352998092
Energy: 0.9548290065701776
Energy: 0.9178381859860794
Energy: 1.267214751253343
Energy: 1.0626793519145372
Energy: 0.9977699855908488
Energy: 1.3372621793639685
Energy: 0.9154530963897793
Energy: 1.2040272288621978
Energy: 1.4416902988534954
Energy: 1.388171333053628
Energy: 1.133147164939272
Energy: 1.5135063012098617
Energy: 1.1811752572956191
Energy: 1.054187672881128
Energy: 1.2057887249709838
Energy: 0.9528610814276833
Energy: 1.0538310284434276
Energy: 1.2112520330933048
Energy: 1.0244166671391366
Energy: 0.9195965754236927
Energy: 0.9808048540839998
Energy: 0.9991181346081484
Energy: 0.9190629861118651
Energy: 0.9175379459829853
Energy: 0.9628258739862416
Energy: 1.1783130465825769
Energy: 1.0448294075470557
Energy: 0.9964548678551479
Energy: 1.0633976700986008
Energy: 1.0480376869834458
Energy: 1.0518324896517592
Energy: 1.6326931599577983
Energy: 1.092952120338559
Energy: 1.0660612547924018
Energy: 1.6324987699282747
Energy: 1.2083129347130805
Energy: 1.3864659738720926
Energy: 1.7041677455352315
Energy: 1.015759573499211
Energy: 0.916863917243838
Energy: 1.3473672844386895
Energy: 1.0152642954886297
Energy: 1.0712061305573457
Energy: 1.3116055335942782
Energy: 0.938886833661812
Energy: 0.938896888127618
Energy: 1.3137928088551456
Energy: 0.9411754204645201
Energy: 0.9402096388094171
Energy: 1.0908300711915304
Energy: 0.9726760155519335
Energy: 1.0552979035826635
Energy: 1.0941774779992115
Energy: 0.9898258462513979
Energy: 1.0565911182522434
Energy: 1.2835368783165526
Energy: 1.2322569815463018
Energy: 1.1308547422197186
Energy: 1.2851388558131276
Energy: 1.262929433245212
Energy: 1.15739762547459
Energy: 1.473040595751086
Energy: 1.160834886626
Energy: 1.2641757305566343
Energy: 1.4745703989105614
Energy: 1.2523617874471717
Energy: 1.429118815726967
Energy: 0.965263380696708
Energy: 1.10034563097575
Energy: 0.982995568233133
Energy: 0.8992225942041512
Energy: 1.2914421601835724
Energy: 0.8937914550821694
Energy: 0.899294016409051
Energy: 1.1593387684008223
Energy: 0.8769536977572938
Energy: 0.902626728536502
Energy: 1.0598318075847075
Energy: 0.8990852983221795
Energy: 1.3129926821495292
Energy: 1.2105589725189265
Energy: 1.219706252313166
Energy: 1.3295751325660885
Energy: 1.1791109002350164
Energy: 1.1117094021214504
Energy: 1.34915107632074
Energy: 1.144776551194878
Energy: 0.9789381540332343
Energy: 1.101978902906511
Energy: 1.277287753917868
Energy: 1.1288091607592377
Energy: 1.2558673294374976
Energy: 0.9943059083863144
Energy: 0.9977027487228136
Energy: 1.2588431796226978
Energy: 0.9800635339191445
Energy: 1.2479937235121932
Energy: 1.458741977013248
Energy: 0.9169369092232211
Energy: 0.877084563946949
Energy: 1.4596077542284729
Energy: 0.9628719738734791
Energy: 0.877130379751378
Energy: 1.448366354244345
Energy: 0.898100466923532
Energy: 0.9032489296924249
Energy: 1.440436501683622
Energy: 0.8996591548447672
Energy: 1.2943727772123292
Energy: 1.5403420157247205
Energy: 1.0963742062849104
Energy: 1.0915620231948104
Energy: 1.2474023272581438
Energy: 1.2083229947552685
Energy: 1.210167536168373
Energy: 1.1880926661428304
Energy: 1.0769779426162707
Energy: 1.1128681511827365
Energy: 1.1612766730862842
Energy: 1.0236338569043852
Energy: 1.0785448418165138
Energy: 0.9012583701429769
Energy: 1.0386544210286073
Energy: 1.0807987766182456
Energy: 0.9040009486398495
Energy: 1.0482866892523957
Energy: 0.9032925485980936
Energy: 0.9130332298296053
Energy: 1.176787941735407
Energy: 1.1978493275421833
Energy: 0.9127804877946571
Energy: 1.2208324402926192
Energy: 0.9178405421118445
Energy: 1.0350683405473704
Energy: 1.3134388899390965
Energy: 1.371688522341891
Energy: 1.7784913020566815
Energy: 1.4280677167740545
Energy: 1.415425079904271
Energy: 1.0695697020891946
Energy: 1.2977050609888825
Energy: 1.2115826695452
Energy: 1.0698620233574745
Energy: 1.2208375164255334
Energy: 1.0224533930251285
Energy: 0.9183198512906603
Energy: 0.9299803258307171
Energy: 1.1339302397395266
Energy: 0.9192233177059693
Energy: 1.0313079403135663
Energy: 0.9619103117549408
Energy: 1.0354367187588949
Energy: 1.020012765150996
Energy: 1.018420264461083
Energy: 1.1066927518985206
Energy: 1.0150916204896305
Energy: 1.0572874620177146
Energy: 1.6197417948674129
Energy: 1.0755497037300104
Energy: 1.0743115245650696
Energy: 1.3571469750957212
Energy: 1.1188932516344392
Energy: 1.0667498411140959

minimum gb energy = 0.8769536977572938 eV
minimum distance =  2.56405507177119 Angstroms
sigma value = 57


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

Energy: 0.4400848796122908
Energy: 0.4358449839266689
Energy: 0.4523059561476192
Energy: 0.3401869196151884
Energy: 0.7984517609169189
Energy: 0.44223556286251847
Energy: 0.44148324924188737
Energy: 0.6405765277652365
Energy: 0.8314587387209911
Energy: 0.7045833447690455
Energy: 0.7399221212072615
Energy: 0.6208190044684886
Energy: 0.6319241248203182
Energy: 0.5899195125381598
Energy: 0.6308283680504564
Energy: 0.6452180812222228
Energy: 0.5960146068244372
Energy: 0.6285673421655005
Energy: 1.5311030758257815
Energy: 0.6243237294253473
Energy: 0.6436915975560714
Energy: 1.4730725250281096
Energy: 0.6952685505179471
Energy: 0.6620332639823441
Energy: 0.7152712977457696
Energy: 0.3370613046585377
Energy: 0.33729450713938786
Energy: 0.6418936269306252
Energy: 0.33692424902327595
Energy: 0.6645966714076028
Energy: 0.5756433801547309
Energy: 0.3368555493014254
Energy: 0.3371020486670628
Energy: 0.5752980425920361
Energy: 0.33694921583207615
Energy: 0.37442380648164236
Energy: 0.5733695589673661
Energy: 0.629377224635055
Energy: 0.6238553092390225
Energy: 0.5738790966073215
Energy: 0.6226896685714852
Energy: 0.6606955865046142
Energy: 0.5769849223467148
Energy: 1.1766497439295478
Energy: 1.2603284449800591
Energy: 0.5773209835462518
Energy: 1.46380968257597
Energy: 0.6428766279398663
Energy: 0.6343433762576034
Energy: 0.6364279400359987
Energy: 0.6893980739646803
Energy: 0.6565166833231127
Energy: 0.6326985521893534
Energy: 0.6235489844330767
Energy: 0.3459507428370251
Energy: 0.7335214104190385
Energy: 0.42343740112802475
Energy: 0.3367646230471305
Energy: 0.6848003202956824
Energy: 0.4761613012148801
Energy: 0.3368501932005808
Energy: 0.676967813181462
Energy: 0.658912209965494
Energy: 0.3368537339241648
Energy: 0.6224032559865547
Energy: 0.37923238694003836
Energy: 0.6326145430424467
Energy: 0.5756387170204724
Energy: 0.6461543542715575
Energy: 0.6335767585612897
Energy: 0.5760384316558288
Energy: 0.6451735935468017
Energy: 1.4185028410653637
Energy: 1.2182051830207725
Energy: 1.1920975796406423
Energy: 1.418470555946538
Energy: 1.1238934638930624
Energy: 1.1721410946536606
Energy: 0.6321938135788906
Energy: 0.63348570601128
Energy: 0.623082023967735
Energy: 0.6326696423454895
Energy: 0.6213394904553423
Energy: 0.6719721463083754
Energy: 0.6335669210998172
Energy: 0.33663874740236305
Energy: 0.33664065008454896
Energy: 0.6811955780269857
Energy: 0.3442118530761669
Energy: 0.631353355106913
Energy: 0.6606074204442561
Energy: 0.6235014896896781
Energy: 0.6394453378042662
Energy: 0.5862344585293809
Energy: 0.3374630124643469
Energy: 0.655223518948027
Energy: 0.5807846527579427
Energy: 0.6191951630647036
Energy: 0.6872951076671955
Energy: 0.5862724784843134
Energy: 0.6497152267042221
Energy: 0.6856295802579488
Energy: 0.6321770972484569
Energy: 0.6425825573547991
Energy: 0.710111594944705
Energy: 0.6471422175415873
Energy: 1.4795117353355813
Energy: 0.7109865406499565
Energy: 0.44138165888198516
Energy: 0.7226588746793517
Energy: 0.8216735018878987
Energy: 0.3371819623413971
Energy: 0.7796070344571778
Energy: 0.5692865285602425

minimum gb energy = 0.33663874740236305 eV
minimum distance =  2.58131101786424 Angstroms
sigma value = 11


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

Energy: 1.3510822849997646
Energy: 1.452414082537171
Energy: 1.2197247130767481
Energy: 1.3533072135400086
Energy: 1.6608553996936402
Energy: 1.2308906907549233
Energy: 1.0473184917486553
Energy: 0.7325637797725552
Energy: 0.9779864930989826
Energy: 1.1960429074568575
Energy: 0.8523068390962771
Energy: 0.9756184003582573
Energy: 0.9118322179245935
Energy: 0.7008281932428476
Energy: 0.7473257848610616
Energy: 0.8351975193452039
Energy: 0.7464412321683561
Energy: 0.8599296593055626
Energy: 0.8662872131168189
Energy: 1.006394331619616
Energy: 0.9715882868544505
Energy: 0.8684927496203736
Energy: 0.7952383877615866
Energy: 0.973005934145464
Energy: 0.9291423400626909
Energy: 1.2883585515979408
Energy: 1.2588175104891028
Energy: 0.9306758968041151
Energy: 1.5260186020595445
Energy: 1.1820457957328014
Energy: 1.2268481639402948
Energy: 1.367100451449437
Energy: 1.3333116796205904
Energy: 1.1503859567959998
Energy: 1.5230930038376072
Energy: 1.2712101720540463
Energy: 1.166269475659771
Energy: 1.1684263782907063
Energy: 1.1439636613545383
Energy: 1.1635165932651628
Energy: 1.2321390864228667
Energy: 1.141999234123732
Energy: 0.8970409179191565
Energy: 0.8024032708189658
Energy: 0.9120401917593404
Energy: 0.8984238534552388
Energy: 0.8001905768363089
Energy: 1.0181485764538034
Energy: 0.9792727825304907
Energy: 0.8200000801553272
Energy: 0.8823997226148611
Energy: 0.9815539625793054
Energy: 0.9127182954467932
Energy: 0.7702507615903963
Energy: 1.4208427982951721
Energy: 1.2701355478007033
Energy: 1.2694302321284785
Energy: 1.4236726982794754
Energy: 1.2772554281160582
Energy: 1.2634808885637197
Energy: 1.519360237533224
Energy: 1.3916055394167903
Energy: 1.1848315162914265
Energy: 1.521946358915665
Energy: 1.4259979855327338
Energy: 1.2768658271429087
Energy: 1.220802609710048
Energy: 1.1051154314279352
Energy: 1.0948769495764463
Energy: 1.2187202065132086
Energy: 1.139176531938221
Energy: 1.1468075848190136
Energy: 0.9083802071240504
Energy: 1.1125087500107402
Energy: 1.0813406486825614
Energy: 0.9112726813631536
Energy: 1.0600379206797044
Energy: 0.9069974797783682
Energy: 0.9704737142706668
Energy: 1.1014602270221974
Energy: 0.9786037348266442
Energy: 0.9699732137972208
Energy: 1.2997082706074186
Energy: 1.0123956491351338
Energy: 1.1132090147836307
Energy: 1.1679424224433899
Energy: 1.1416587956425095
Energy: 1.1160149849805756
Energy: 1.224547336696704
Energy: 1.11453252680494
Energy: 1.3758265854086205
Energy: 1.144653407750088
Energy: 1.2062265324719958
Energy: 1.33106283605168
Energy: 1.2610240125561136
Energy: 1.1805382777212718
Energy: 1.2766107085003802
Energy: 1.1411849467440838
Energy: 1.1266649359078196
Energy: 1.175109485145059
Energy: 1.1394554513770394
Energy: 1.1769955769127636
Energy: 1.533196344508334
Energy: 1.0204369113639307
Energy: 1.0235629194840783
Energy: 1.4040318831804284
Energy: 1.0119686250113262
Energy: 1.0789924283779544
Energy: 1.3393700826704773
Energy: 0.917321330487886
Energy: 0.9412064614167802
Energy: 1.1908815628062575
Energy: 0.9151073437064254
Energy: 1.0026628091775944
Energy: 1.1373087668378672
Energy: 0.9586605933945594
Energy: 1.0416424468575216
Energy: 1.0362942877425125
Energy: 0.9107718903219172
Energy: 1.080938343129388
Energy: 1.3646539705670122
Energy: 1.1818077691527642
Energy: 1.2295941525257796
Energy: 1.3666565830832467
Energy: 1.397631751696795
Energy: 1.1988705624847356
Energy: 1.3277161978679253
Energy: 1.2781769022213063
Energy: 1.2255151680681629
Energy: 1.3283581257351316
Energy: 1.368811089924357
Energy: 1.2645267891402405
Energy: 0.8907552132005447
Energy: 1.2075473942871764
Energy: 0.9211665346824064
Energy: 0.813082386389838
Energy: 1.2108072697937224
Energy: 0.9546919170190924
Energy: 0.7939063601562134
Energy: 0.8849621225157428
Energy: 0.936146666334116
Energy: 0.7969238745729341
Energy: 0.8097253648287878
Energy: 0.8277582672754715
Energy: 0.868842732969679
Energy: 0.947845128057304
Energy: 0.9718172578216157
Energy: 0.8651168667217966
Energy: 0.9590368946469392
Energy: 0.9756170370615487
Energy: 1.6793772820777173
Energy: 1.062488678995524
Energy: 1.2155720691316232
Energy: 1.683498396656611
Energy: 1.0322480165961627
Energy: 1.354675195197737

minimum gb energy = 0.7008281932428476 eV
minimum distance =  2.51957479500709 Angstroms
sigma value = 41


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

Energy: 1.3503721625376126
Energy: 1.2987345650093827
Energy: 1.3002306818698257
Energy: 1.3538399390551277
Energy: 1.4927273588158074
Energy: 1.0324177196564275
Energy: 1.0593649195442192
Energy: 0.769714995585779
Energy: 1.0241604433679283
Energy: 0.9491855276592686
Energy: 0.9121744391062078
Energy: 0.9479156527912413
Energy: 0.6861705126580961
Energy: 0.7748322036011746
Energy: 0.8344588698176394
Energy: 0.6830750977230351
Energy: 0.7745748529641369
Energy: 0.9275608374703056
Energy: 1.007097359784524
Energy: 1.0338241795827903
Energy: 1.0505085929885944
Energy: 1.00987036860366
Energy: 0.816514115397343
Energy: 1.0486851615186534
Energy: 0.9590459008637815
Energy: 1.1798581342635215
Energy: 1.2952867446213103
Energy: 0.9589520825132124
Energy: 1.2980975090333178
Energy: 1.002610804170928
Energy: 1.2990952646789946
Energy: 1.3164825209177449
Energy: 1.2377390728488835
Energy: 1.0809345136895412
Energy: 1.3351623324811408
Energy: 1.2372161317048564
Energy: 1.3821646089973203
Energy: 1.0861900684651062
Energy: 1.2081476910399274
Energy: 0.9594586522340068
Energy: 1.2144979659537822
Energy: 1.0062926591810748
Energy: 0.9469694466373519
Energy: 0.8921103370707124
Energy: 0.8973453898060771
Energy: 1.0199697573004372
Energy: 0.8974562339441308
Energy: 1.1962316320781163
Energy: 1.1993379346137698
Energy: 0.8215186420972282
Energy: 0.8537464350915711
Energy: 1.1974551051863367
Energy: 0.8239448477528579
Energy: 0.9833287080832321
Energy: 1.3382613770064147
Energy: 1.1521024712195893
Energy: 1.1049650173984773
Energy: 1.1989521198727053
Energy: 1.1520337091057544
Energy: 1.106821911462666
Energy: 1.4648982298716775
Energy: 1.2952673614767098
Energy: 1.1470527293202746
Energy: 1.4669332893404012
Energy: 1.3799427405978926
Energy: 1.0946116026106893
Energy: 1.4296168930407311
Energy: 1.1073657799794216
Energy: 1.0778624369838323
Energy: 1.432326363329849
Energy: 1.1675562377989626
Energy: 1.3281827809912246
Energy: 1.117139089381605
Energy: 1.0796338047785552
Energy: 1.0793568086641683
Energy: 1.1173675658297582
Energy: 1.166672853347837
Energy: 0.9820011560731813
Energy: 0.8838496390972709
Energy: 1.0046623213130232
Energy: 0.9423741726307444
Energy: 0.8860350833014079
Energy: 1.1873429823434964
Energy: 0.9381487493401529
Energy: 0.9323046814397628
Energy: 1.140186718901325
Energy: 1.030825333566055
Energy: 0.8417268183106
Energy: 1.1546306426817212
Energy: 0.8383873254943729
Energy: 1.0595319510698473
Energy: 0.9824421061810085
Energy: 1.1480687160340974
Energy: 1.092497751814098
Energy: 1.0714467587740173
Energy: 1.2885752480896844
Energy: 1.550544491882269
Energy: 0.9979260097876952
Energy: 1.2917713028693365
Energy: 1.456120294752273
Energy: 0.9985144597634996
Energy: 1.2234577961264697
Energy: 1.2189859488530403
Energy: 0.9124577743056626
Energy: 1.0029262381107282
Energy: 1.294060156081431
Energy: 0.9111257288272175
Energy: 1.2968036463228656
Energy: 1.029616338841654
Energy: 0.836057279013379
Energy: 0.8807423254202696
Energy: 0.9994304182398418
Energy: 0.772405629242028
Energy: 0.9177170568385786
Energy: 1.0061295851827738
Energy: 0.8750791066633764
Energy: 1.0380018256989272
Energy: 0.9145776819188275
Energy: 0.8167996303628562
Energy: 0.9071016231366429
Energy: 0.6803231470391016
Energy: 1.0634824896352386
Energy: 0.8929065960263303
Energy: 0.6719715498510284
Energy: 1.379652679935189
Energy: 0.8802568998571634
Energy: 0.9937565370183891
Energy: 1.4472269596588359
Energy: 1.2388011775622658
Energy: 0.9943902512606004
Energy: 1.4427093791089625
Energy: 1.134339649415876
Energy: 1.0905118283817163
Energy: 1.086753891597691
Energy: 0.9417165333522228
Energy: 1.0908207175487452
Energy: 1.3952323303147416
Energy: 0.8817034115383299
Energy: 0.946234926296551
Energy: 0.9104090294398666
Energy: 0.8922634563312664
Energy: 0.9472191825773726
Energy: 0.8925538085773357
Energy: 1.1519421632837885
Energy: 1.098247532036597
Energy: 0.8891129578435947
Energy: 0.9407058540259784
Energy: 1.1286508154296113
Energy: 0.8911190164537657
Energy: 0.9816535370701667
Energy: 1.5483053196295486
Energy: 1.106614628637624
Energy: 1.1065316066628492
Energy: 1.1953826812207538
Energy: 1.1374557971893773
Energy: 1.185095537799545
Energy: 1.4540506616283086
Energy: 1.2876379398107212
Energy: 1.105398836366386
Energy: 1.334681629619069
Energy: 1.2108801553221276
Energy: 1.1069847157360257
Energy: 1.4361469881281395
Energy: 1.260810544373414
Energy: 1.0935049650089765
Energy: 1.4380802248860902
Energy: 1.5028327636728842
Energy: 1.1704083280961355
Energy: 1.1052836758842008
Energy: 1.1655658627871957
Energy: 1.0794876577890886
Energy: 1.1052467398523897
Energy: 1.1461980214631284
Energy: 1.051633811340889
Energy: 0.8124255687356013
Energy: 0.9924015211163458
Energy: 0.8090508052167921
Energy: 0.8133036884241365
Energy: 1.4274524791071845
Energy: 0.8091216116396871
Energy: 0.9021101304715147
Energy: 0.9884246849211422
Energy: 0.8347505457798291
Energy: 0.8394593650176501
Energy: 0.9421153960244193
Energy: 0.8397599433035362
Energy: 1.018063875787836
Energy: 0.8333833368194795
Energy: 0.9829753901066492
Energy: 1.0182711811860004
Energy: 0.6804482915131224
Energy: 1.1112935965361
Energy: 1.6760149516606644
Energy: 0.9825393180255316
Energy: 1.2247662461377253
Energy: 1.67786576755785
Energy: 1.1624987170871053
Energy: 1.2489693561591393

minimum gb energy = 0.6719715498510284 eV
minimum distance =  2.49100912918078 Angstroms
sigma value = 33


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

Energy: 1.4415146708536188
Energy: 1.1516138364308617
Energy: 1.152507924814624
Energy: 1.441864474007834
Energy: 1.476983682653323
Energy: 1.15674305696649
Energy: 1.5985522886521415
Energy: 0.8666123038394837
Energy: 0.9943079603513159
Energy: 1.4002205242355465
Energy: 0.8672992919569797
Energy: 0.8582585824476927
Energy: 0.7663968313804804
Energy: 0.917906162574402
Energy: 0.918025174526683
Energy: 0.7688645430925011
Energy: 0.9345033487323928
Energy: 0.9709693427542448
Energy: 1.073650706107818
Energy: 1.0939683259344921
Energy: 1.0627159127726589
Energy: 1.0755235230257967
Energy: 1.0425870842030918
Energy: 1.1643558588126335
Energy: 0.858564064597195
Energy: 1.276098106518033
Energy: 1.2427426014125265
Energy: 0.8344068093996657
Energy: 1.3324556748620615
Energy: 1.2418229571113177
Energy: 1.0633201243120036
Energy: 1.2127529415210208
Energy: 1.2473523127625614
Energy: 1.0519411176517082
Energy: 1.422628119013903
Energy: 1.235419969919858
Energy: 1.5483907604722646
Energy: 1.0445014007630231
Energy: 1.302596610036828
Energy: 1.1766541458160016
Energy: 1.0405563335762154
Energy: 1.1769029678146774
Energy: 0.7857716725579276
Energy: 1.01481926303318
Energy: 1.0972786779156962
Energy: 0.7976476746482054
Energy: 1.0122015868054721
Energy: 1.0717732306229355
Energy: 1.173819456780302
Energy: 0.8724212499051501
Energy: 0.9340387955151059
Energy: 1.1982440610773302
Energy: 0.9054652543310577
Energy: 0.92032454470091
Energy: 1.3467950996194835
Energy: 0.9637827362073325
Energy: 0.9611608724266887
Energy: 1.2934818488807636
Energy: 0.96344424749603
Energy: 0.9591907057234349
Energy: 1.2178174629230292
Energy: 0.9718468712024749
Energy: 0.9531754458438244
Energy: 1.2169082019992121
Energy: 1.1535290597960455
Energy: 1.1085071376882392
Energy: 1.175884299733686
Energy: 1.2012486247630672
Energy: 1.1779699519355178
Energy: 1.1772193487560558
Energy: 0.8546222178841889
Energy: 1.1483497583884803
Energy: 0.9661965642366996
Energy: 1.3896207566365986
Energy: 1.1753332711195807
Energy: 0.9696485199610435
Energy: 1.3850260126304974
Energy: 1.148098019944854
Energy: 0.839664810823674
Energy: 0.8676277258729831
Energy: 0.8634524051592202
Energy: 0.8427970043878122
Energy: 1.2083129522292055
Energy: 0.9210284945689688
Energy: 0.8875961329945576
Energy: 1.0481107751039878
Energy: 0.8695604614445217
Energy: 0.9455656030282885
Energy: 0.9828945347594565
Energy: 0.8697299799422505
Energy: 0.7649917267349008
Energy: 1.1849941797858237
Energy: 0.963314119425502
Energy: 0.7849942675154825
Energy: 0.9182426755043986
Energy: 1.184281920573566
Energy: 1.413470049828155
Energy: 0.9612027899264061
Energy: 1.0470571639974777
Energy: 1.4105044954625716
Energy: 0.959094892972284
Energy: 1.3361690605049972
Energy: 1.666418817404192
Energy: 0.9004572921874554
Energy: 1.2400280423958672
Energy: 1.517661140136323
Energy: 0.822571587714887
Energy: 1.239902422702103
Energy: 1.0412724573172911
Energy: 1.2813703971266917
Energy: 1.0781607520654493
Energy: 1.042180963998439
Energy: 0.7829378603278044
Energy: 1.1710958833729312
Energy: 1.017764794392319
Energy: 1.12167681441017
Energy: 1.121111459299517
Energy: 1.0196468559513447
Energy: 0.7823868482121057
Energy: 1.1024619719285311
Energy: 0.8992528139719015
Energy: 0.9292696626151888
Energy: 0.940345900708683
Energy: 0.9008200804435631
Energy: 1.1966102472221392
Energy: 0.9540161495595582
Energy: 0.9628910665931877
Energy: 1.0303418368890485
Energy: 1.1112832191556787
Energy: 0.9655895496189756
Energy: 1.1832333060834372
Energy: 0.9470272775096644
Energy: 1.1562311628146122
Energy: 0.8674037930582142
Energy: 0.9503312560047195
Energy: 1.1948623257615447
Energy: 1.200113077394627
Energy: 0.8441845418722157
Energy: 1.4995420693498314
Energy: 1.2513338083831635
Energy: 1.1632652436220132
Energy: 1.6726612022751457
Energy: 1.255273939029507
Energy: 1.1781894089945346
Energy: 1.6041811238037438
Energy: 0.8681079219429769
Energy: 0.9927013402571137
Energy: 1.6043487819179492
Energy: 0.8625204654551807
Energy: 0.9574303795813244
Energy: 0.7675463334968177
Energy: 0.9295800611171704
Energy: 0.9183640755089483
Energy: 0.768201523692823
Energy: 0.8415649904842837
Energy: 0.8660271802424439
Energy: 0.926809636166478
Energy: 1.0228754024066875
Energy: 1.0308703310429241
Energy: 0.9264746366738933
Energy: 1.0434160652323388
Energy: 1.0267552754634157
Energy: 0.8967378315163702
Energy: 1.182859049963851
Energy: 0.9733497586791527
Energy: 0.8375085183405485
Energy: 1.198486723520667
Energy: 0.9689942508273992
Energy: 0.9700562358665518
Energy: 1.042241997074481
Energy: 1.2496919144045535
Energy: 1.4380553739225352
Energy: 1.4248270453697014
Energy: 1.1703088838643427
Energy: 1.1836269093975125
Energy: 1.151046444904532
Energy: 1.1772403225918875
Energy: 0.9045629474189256
Energy: 1.1202342439518251
Energy: 1.1814674867972619
Energy: 1.0251050933426025
Energy: 1.0061698477998087
Energy: 1.1927073590099126
Energy: 0.7891640071107506
Energy: 1.019023132540686
Energy: 0.8742382875021928
Energy: 1.5646531606535266
Energy: 0.8750124062705918
Energy: 0.9338848666721189
Energy: 1.2853566093052504
Energy: 0.870584020683642
Energy: 0.9212286283427875
Energy: 1.0955186553237948
Energy: 0.9625949612523182
Energy: 0.961288579699578
Energy: 1.089932518562893
Energy: 0.96033639942027
Energy: 0.9603353006677364
Energy: 1.0954062279659253
Energy: 0.9397341983531272
Energy: 0.9538910853532977
Energy: 1.0853673328816869
Energy: 0.94175876967965
Energy: 1.0833290061935636
Energy: 1.1786021925428072
Energy: 0.8487383006974516
Energy: 0.9709127114044023
Energy: 1.1773225676524386
Energy: 0.9550479968421024
Energy: 1.112264055048837
Energy: 0.9670536500191435
Energy: 1.2858947750523628
Energy: 1.1489460559255087
Energy: 0.9654617652452102
Energy: 1.5644242536551982
Energy: 1.1485748538137928
Energy: 0.8696543508917012
Energy: 0.8630369967806146
Energy: 0.8267978845118864
Energy: 0.8714210770948431
Energy: 1.1835544634164679
Energy: 0.8316414203860739
Energy: 0.9125785966051843
Energy: 1.0229644555550284
Energy: 0.8255193696017149
Energy: 0.912950405077837
Energy: 0.9764096166920042
Energy: 0.9912061992902236
Energy: 0.7682281160354371
Energy: 0.9182610787986114
Energy: 1.167638215704931
Energy: 0.7902602909066639
Energy: 0.9176660072901252
Energy: 1.1697371905891771
Energy: 1.3238147404417633
Energy: 1.0676483192230086
Energy: 1.0663687945871427
Energy: 1.3249097448328095
Energy: 1.0745574773090658
Energy: 1.2570905805673422
Energy: 1.5981760179026756
Energy: 0.9053165388348404
Energy: 1.2461729659133614
Energy: 1.6000052688365483
Energy: 1.0229789250638885
Energy: 1.2446896864522254
Energy: 1.04222032141885
Energy: 1.1798620446836177
Energy: 1.1214364880714516
Energy: 1.0421432099127899
Energy: 1.0109402978215842
Energy: 1.1753507586032086
Energy: 1.0212756541657704
Energy: 1.28069017561768
Energy: 1.079664575001674
Energy: 1.02286787890891
Energy: 1.0876141532903272
Energy: 1.0797206649871915
Energy: 0.9007181842905847
Energy: 0.9863951083073157
Energy: 0.9534342831801925
Energy: 0.8993890771370994
Energy: 1.2059490787814133
Energy: 0.9526249288876315
Energy: 1.0308383939098913
Energy: 1.329362967412983
Energy: 0.9672764827835588
Energy: 1.0340558928210568
Energy: 1.3515744830628669
Energy: 0.9641217283752547
Energy: 1.1562163988178917
Energy: 0.9526849557612042
Energy: 0.9200508514902452
Energy: 1.1973219167538227
Energy: 1.2308659279138898
Energy: 0.8459646172788856
Energy: 1.677423280373275
Energy: 0.9694402266061475
Energy: 1.161901631488353
Energy: 1.3926072853577798
Energy: 0.9703504614841503
Energy: 1.1486092626242768

minimum gb energy = 0.7649917267349008 eV
minimum distance =  2.55822233666871 Angstroms
sigma value = 67


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

Energy: 1.2862658977375159
Energy: 0.7782044571067659
Energy: 0.7798808296608911
Energy: 1.2890498369845855
Energy: 0.7898835349891169
Energy: 1.3318745180331437
Energy: 1.1060449600173945
Energy: 0.7972677789297251
Energy: 0.7751420036886647
Energy: 1.013730318524303
Energy: 0.799119616917551
Energy: 0.7376757740300229
Energy: 0.8351486717707727
Energy: 0.7324198057545972
Energy: 0.7870932514244039
Energy: 0.8262747848260213
Energy: 0.7307454142017514
Energy: 0.9566668540969959
Energy: 1.0135487681588735
Energy: 0.8291456460811472
Energy: 0.7863671390211576
Energy: 0.8146948286541406
Energy: 0.8258183918547172
Energy: 0.8308799114518153
Energy: 0.8342555004301379
Energy: 0.7877587162252934
Energy: 0.8172146316101598
Energy: 0.8344258772806158
Energy: 0.9474212709202195
Energy: 0.834951681668981
Energy: 0.8370014565344795
Energy: 0.7333369837745607
Energy: 0.830967067120748
Energy: 0.8312067133603334
Energy: 1.2544246073152931
Energy: 0.8322469485225823
Energy: 1.0916404178466548
Energy: 0.7869952099365367
Energy: 0.7397211483097652
Energy: 1.0910966466190422
Energy: 0.8353720492757591
Energy: 0.7394233420421719

minimum gb energy = 0.7307454142017514 eV
minimum distance =  2.64335740881741 Angstroms
sigma value = 3


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

Energy: 1.867617619955669
Energy: 1.4486737791253894
Energy: 1.196897994556533
Energy: 1.8322622158166153
Energy: 1.6859038452808035
Energy: 1.1620770498850839
Energy: 1.5704312446133966
Energy: 1.2960496561376107
Energy: 1.299318469803473
Energy: 1.1854228348399698
Energy: 1.2911890583779317
Energy: 1.039136617462966
Energy: 1.3233174881621046
Energy: 1.2606515577643786
Energy: 0.9972736130652468
Energy: 1.3236066203495431
Energy: 1.491877677713735
Energy: 1.1036157728970872
Energy: 0.9157196392706212
Energy: 0.8455191034078141
Energy: 0.8988889613837469
Energy: 0.910383439827949
Energy: 1.2626507502734305
Energy: 0.9087288291134282
Energy: 0.913938463125282
Energy: 1.1366725056682307
Energy: 0.9370453331956434
Energy: 0.9115639314708072
Energy: 1.260352548421193
Energy: 0.9708926847389084
Energy: 1.2731970629114922
Energy: 1.3002414108879325
Energy: 1.2551428165012475
Energy: 1.2619339315398745
Energy: 1.1593335016636563
Energy: 1.203532566314157
Energy: 1.42423582977438
Energy: 1.166272863231749
Energy: 1.1206242874150718
Energy: 1.156908129120093
Energy: 1.1590265719696942
Energy: 1.0886575610215925
Energy: 1.6999531069634617
Energy: 1.496170271745243
Energy: 1.2502879214797944
Energy: 1.7022454807473766
Energy: 1.4763135158995506
Energy: 1.256017503771396
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Energy: 1.2266342031575335
Energy: 1.1566010674938518
Energy: 1.1683538001063294
Energy: 1.387467098097692
Energy: 1.0870106346754067
Energy: 1.468694006016787
Energy: 1.240551560984745
Energy: 1.1144802989730538
Energy: 1.4687374367352282
Energy: 1.3902109876488116
Energy: 1.2059239241817283
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Energy: 1.1737432810756023
Energy: 1.1464501315550355
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Energy: 1.1257626225563282
Energy: 1.1907889417560975
Energy: 1.1603709147078822
Energy: 1.14388028154793
Energy: 1.2015523850295742
Energy: 1.3212440561123588
Energy: 1.1408469847944893
Energy: 1.3421454010930165
Energy: 0.9592604708898798
Energy: 0.9802794241102131
Energy: 1.2994231678090724
Energy: 0.9436340130324455
Energy: 1.166784814988664
Energy: 1.3987917923856485
Energy: 0.9149066387916148
Energy: 0.9545968634715382
Energy: 1.381388114562127
Energy: 0.9129890942712584
Energy: 0.8965890582719135
Energy: 1.4129892348228354
Energy: 1.2180943724870097
Energy: 1.4356886890982015
Energy: 1.4158831145220014
Energy: 0.9749094155342561
Energy: 1.3076317779550555
Energy: 1.3206177551693692
Energy: 1.098061743281382
Energy: 1.0201257893406215
Energy: 1.3191789872157917
Energy: 1.2566620553222567
Energy: 1.0283835824236325
Energy: 1.4427785959386101
Energy: 1.202774000616765
Energy: 1.2506108489091001
Energy: 1.4465037492286656
Energy: 1.789484247329997
Energy: 1.3980012875264225
Energy: 1.404332696275903
Energy: 1.3553466123229105
Energy: 1.1943282868186873
Energy: 1.372153020151183
Energy: 1.3853638674179392
Energy: 1.3344322859484363
Energy: 1.5686300104509163
Energy: 1.143130737549387
Energy: 1.1311410092182232
Energy: 1.312865550486083
Energy: 1.410877856114013
Energy: 0.9266776268053023
Energy: 1.3886685167910198
Energy: 1.0461682637805092
Energy: 1.025663303233479
Energy: 1.075479876418852
Energy: 1.04610895145925
Energy: 1.0062340109871224
Energy: 1.3483892024351702
Energy: 1.0109050999273448
Energy: 1.0248296277627287
Energy: 1.1126510017754851
Energy: 1.0745961398081862
Energy: 1.1050745007509188
Energy: 1.222290705982517
Energy: 1.3671134991054772
Energy: 1.274719746376877
Energy: 1.2252339770557579
Energy: 1.2713865241557392
Energy: 1.3211176953604722
Energy: 0.9950211273773553
Energy: 1.1410548051780411
Energy: 1.0134668307448031
Energy: 0.9979219079541322
Energy: 1.4767420384311059
Energy: 1.0088973053299883
Energy: 1.1628993075832652
Energy: 0.9288354388458926
Energy: 1.0774319409632183
Energy: 1.1643706869870547
Energy: 1.5865095146689545
Energy: 1.152469783694847
Energy: 1.3427608407765321
Energy: 1.413401789149164
Energy: 1.231764033758855
Energy: 1.3504252391060054
Energy: 1.2764229261623923
Energy: 1.0525311308332788
Energy: 1.5234215056279954
Energy: 1.4212339434616397
Energy: 1.3073474748709328
Energy: 1.23622476997076
Energy: 1.4017470048940122
Energy: 1.2420756426319426
Energy: 1.3675475780442903
Energy: 1.3913604761839125
Energy: 1.2608774317978355
Energy: 1.342925274148834
Energy: 1.371987178282613
Energy: 1.1254955826664756
Energy: 1.4136202109787372
Energy: 1.3641394224117147
Energy: 1.1694427425543878
Energy: 1.352052459042745
Energy: 1.214157173772681
Energy: 1.0385926066620685
Energy: 1.1053028301319776
Energy: 1.0776479770273024
Energy: 0.9562144924604681
Energy: 1.0988572267390107
Energy: 1.4889941610357955
Energy: 1.050924950949653
Energy: 0.8991982314344632
Energy: 0.9196878115282486
Energy: 0.9167584832836337
Energy: 0.9023775350411875
Energy: 1.5021595852394682
Energy: 0.9176402006935844
Energy: 1.1217453787818361
Energy: 1.313794882911029
Energy: 1.3504104571593165
Energy: 1.1235848099775614
Energy: 1.427239005344509
Energy: 1.0907350935170737
Energy: 1.2343450732892916
Energy: 1.132277420002245
Energy: 1.2050322727793852
Energy: 1.2102534955281585
Energy: 1.1867631344039629
Energy: 1.0747787643847582
Energy: 1.6519451942566596
Energy: 1.2349921376023076
Energy: 1.2230708583991583
Energy: 1.5348708104794133
Energy: 1.235580164221003
Energy: 1.1473196346445622
Energy: 1.4754220676008318
Energy: 1.2332707961392095
Energy: 1.2106197516205404
Energy: 1.4062221477648784
Energy: 1.401040188128741
Energy: 1.1727977518387376
Energy: 1.428292898802598
Energy: 1.2625513552837198
Energy: 1.1266374521135667
Energy: 1.3938857218774743
Energy: 1.16425951815197
Energy: 1.1621415476445407
Energy: 1.2918565305148542
Energy: 1.1227708482077612
Energy: 1.0853772842584086
Energy: 1.2937447169112193
Energy: 1.6645988119924628
Energy: 1.2033219336869894
Energy: 1.152138561082611
Energy: 1.0526123698818088
Energy: 1.0645928858116473
Energy: 1.1338970517531413
Energy: 1.2124460462443472
Energy: 1.0509618661846616
Energy: 1.3273399179211034
Energy: 1.0807993149649417
Energy: 1.3178286600323696
Energy: 1.3302266501251296
Energy: 1.0807716261852602
Energy: 1.3440378857896715
Energy: 1.3944881808825553
Energy: 0.9175682216519034
Energy: 0.8982785610451122
Energy: 1.3965744119446706
Energy: 0.9108549184065231
Energy: 0.8959629903825779
Energy: 1.471715837742784
Energy: 1.0716647402104558
Energy: 1.0790510629956258
Energy: 1.4573358528885334
Energy: 0.9434909660741506
Energy: 0.9888030825684916
Energy: 1.3805428518654055
Energy: 1.148444507409925
Energy: 1.140867260129257
Energy: 1.361002931026275
Energy: 1.3847638904327415
Energy: 1.0399640256135252
Energy: 1.369207975277219
Energy: 1.3707236156304976
Energy: 1.3150369345720356
Energy: 1.3388684378761637
Energy: 1.6810624830343028
Energy: 1.3511758316721445
Energy: 1.4900346248933969
Energy: 1.281485585677508
Energy: 1.242801575501279
Energy: 1.4918321755140942
Energy: 1.1098622963646256
Energy: 1.3122626335157856
Energy: 1.3517508182407187
Energy: 1.129069509350616
Energy: 1.0041747558285035
Energy: 1.3240047743116483
Energy: 1.280569109029359
Energy: 1.0490456645651545
Energy: 1.526037282273283
Energy: 1.1421756363227817
Energy: 1.076340928181283
Energy: 1.5295265360525363
Energy: 1.1599305104633801
Energy: 1.0763852271871788
Energy: 1.3406711744345228
Energy: 0.9813392782587004
Energy: 0.9892733978361913
Energy: 1.2905825038022203
Energy: 0.9729974701201873
Energy: 0.9859573482413744
Energy: 1.3516069771191577
Energy: 1.2057623035629517
Energy: 1.1869884514471754
Energy: 1.2966372361116476
Energy: 1.210475071003997
Energy: 1.3112524754174104
Energy: 1.0057886579097175
Energy: 1.1498887203486454
Energy: 1.1146359590308879
Energy: 0.9996638475441152
Energy: 1.1734222705996789
Energy: 1.089535010811277
Energy: 1.0472085932178998
Energy: 1.1979708622156913
Energy: 0.9914689087170938
Energy: 1.0465500643250476
Energy: 1.3879694352752454
Energy: 1.0026410639983696
Energy: 1.3993922779543566
Energy: 1.1570823652882003
Energy: 1.0831566187971176
Energy: 1.39831996404093
Energy: 1.3833538030585855
Energy: 1.1160301219462556
Energy: 1.3979506578138385
Energy: 1.298755458731927
Energy: 1.1613492478784253
Energy: 1.2074662166374346
Energy: 1.4012814176842177
Energy: 1.0426336464017536

minimum gb energy = 0.8455191034078141 eV
minimum distance =  2.5131009674336 Angstroms
sigma value = 81


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

Energy: 1.7284157814583778
Energy: 1.0217974981741227
Energy: 0.8432328012912317
Energy: 1.7385623917221347
Energy: 1.2413933575814107
Energy: 1.0222289676699117
Energy: 1.4606279253717518
Energy: 0.856861827666119
Energy: 0.9576987844229292
Energy: 1.148969016404029
Energy: 0.8586893702652653
Energy: 0.8863286556891927
Energy: 1.1738251884236164
Energy: 1.1072579762625687
Energy: 1.1799382222902042
Energy: 1.1748241063771039
Energy: 1.123869266672384
Energy: 0.9569214286643694
Energy: 0.8261697255549595
Energy: 0.9826637363514913
Energy: 0.9507739307397092
Energy: 0.8318704159557998
Energy: 0.9619065757167155
Energy: 0.8291395419045275
Energy: 0.8524915724801826
Energy: 0.9628312044553695
Energy: 0.9243606208424476
Energy: 0.8527168292414912
Energy: 1.2783072796493287
Energy: 0.9515497568942664
Energy: 1.2588322994598706
Energy: 0.9382034071491372
Energy: 0.9638777505614216
Energy: 1.2947312271586233
Energy: 1.1738582772444608
Energy: 0.9297327509188779
Energy: 1.139499644312862
Energy: 0.8561087984734401
Energy: 0.9589369532173361
Energy: 1.138881379138593
Energy: 1.1529897867097936
Energy: 0.8688722299440742
Energy: 1.4295768399631053
Energy: 1.2444467239079546
Energy: 1.2394068825571274
Energy: 1.4315096611934064
Energy: 1.2474456679997932
Energy: 1.1211357843750165
Energy: 1.0711695856189472
Energy: 1.1505164429035541
Energy: 0.8564662260518647
Energy: 1.0726627090249106
Energy: 1.1518740833181969
Energy: 0.8697200399036867
Energy: 0.9175557273641479
Energy: 0.811762570125575
Energy: 0.8120801159235088
Energy: 0.9191428792610833
Energy: 0.8115746726469036
Energy: 0.8123884709246314
Energy: 0.8614752778154982
Energy: 0.811914465776201
Energy: 0.8121665957095912
Energy: 0.8577166734692168
Energy: 1.4615308010673913
Energy: 0.9564313225576785
Energy: 1.1338252790617964
Energy: 0.9583810818866602
Energy: 0.9564537340521496
Energy: 0.8541059447283077
Energy: 1.1766945630072816
Energy: 0.963660941589662
Energy: 1.14024856347859
Energy: 0.8486892729883139
Energy: 0.9517425094097727
Energy: 1.123202809973988
Energy: 0.9753236458827281
Energy: 1.182707878566367
Energy: 1.178923775388054
Energy: 0.8477679822495666
Energy: 0.9204414422585452
Energy: 1.1735269163466118
Energy: 0.851375617019601
Energy: 0.9234336893644789
Energy: 1.4356939372288617
Energy: 1.2987138340287057
Energy: 0.9560509017214249
Energy: 1.4391870479585096
Energy: 0.9696486808239335
Energy: 0.9649799816783133
Energy: 1.1493572674330947
Energy: 0.9371115004331654
Energy: 0.9331561516381575
Energy: 1.150839207685054
Energy: 0.8596390082880573
Energy: 0.8886330608854284
Energy: 1.194865582619279
Energy: 1.3106388769875144
Energy: 1.2518542897787448
Energy: 1.2436806725532705
Energy: 1.3170675584664102
Energy: 1.249417633005115
Energy: 1.381326793033611
Energy: 0.8672693936489917
Energy: 0.867247333461883
Energy: 1.3619229430726605
Energy: 0.8581553326719952
Energy: 0.8892491611630248
Energy: 1.4627386809062586
Energy: 0.8553527861409429
Energy: 0.8145572510272387
Energy: 1.4620526887722485
Energy: 1.199218984916861
Energy: 0.8133924048751492
Energy: 1.5000225592316287
Energy: 0.9412236861518343
Energy: 0.8161345362169826
Energy: 1.4625214518963066
Energy: 0.8554382851984501
Energy: 0.8183875948681145
Energy: 1.402442194777594
Energy: 0.8566171155914625
Energy: 0.8651717648608991
Energy: 1.157212226950716
Energy: 0.8566749851938738
Energy: 0.8690605173290148
Energy: 0.9994497996849389
Energy: 1.1911729100604558
Energy: 1.2333224620879113
Energy: 0.9820189044049352
Energy: 1.16447874946968
Energy: 1.2315141989334868
Energy: 0.8237870390181514
Energy: 0.925272581922131
Energy: 0.9190612405144837
Energy: 0.8250372314003626
Energy: 1.177379413903119
Energy: 0.8285990240978972
Energy: 0.974512069638412
Energy: 0.9637363036997354
Energy: 0.9651493342297348
Energy: 0.9729350699190265
Energy: 1.0070490173207378
Energy: 0.9526737640908159
Energy: 1.1405016259479344
Energy: 1.174345778477029
Energy: 0.9336234170605254
Energy: 1.1418435868272094
Energy: 1.1803067296850707
Energy: 0.9469383771672776
Energy: 1.5978849653947569
Energy: 1.2413353623252361
Energy: 1.2399368473163295
Energy: 1.3182311152363075
Energy: 1.2432158614205648
Energy: 1.1114410712213025
Energy: 1.3361666132138044
Energy: 1.2805834560923817
Energy: 1.109770679634195
Energy: 1.3068102667092187
Energy: 1.2084390703866053
Energy: 0.8642844687119048
Energy: 1.1432452047829658
Energy: 1.175168727690647
Energy: 0.8875909099344748
Energy: 1.1397092360429015
Energy: 1.4674214312538565
Energy: 0.9567196481933039
Energy: 0.8554268955141625
Energy: 0.8143278246088018
Energy: 0.817597955246431
Energy: 0.855143651365075
Energy: 1.317777836912125
Energy: 0.8124858250483034
Energy: 0.858130404586569
Energy: 0.8698966778428616
Energy: 0.8692910715470393
Energy: 0.8586731176263324
Energy: 1.1507354629041728
Energy: 0.8892349740131822
Energy: 1.1418509548191556
Energy: 1.0443942767588983
Energy: 1.0430150417431991
Energy: 1.1157020660996053
Energy: 0.9704911875827286
Energy: 1.2400906438743784
Energy: 0.8766240786308495
Energy: 0.8244513292392885
Energy: 0.8243840080253827
Energy: 0.8784179345245091
Energy: 0.825465273520594
Energy: 0.8240167284042733
Energy: 0.9922226070564807
Energy: 0.9562408845727666
Energy: 0.9572080889081737
Energy: 0.8501661893927309
Energy: 0.8480033730661484
Energy: 0.9239555897158
Energy: 1.173288324148835
Energy: 0.961039863345965
Energy: 0.9317883182112637
Energy: 1.1732080942602892
Energy: 1.1616942500890965
Energy: 0.967056741434143
Energy: 1.170651899467756
Energy: 0.8647580036570565
Energy: 0.8673297230542744
Energy: 1.1730538817401732
Energy: 1.3226206819675166
Energy: 0.9573135760275974
Energy: 1.4332371320055717
Energy: 1.082052452528602
Energy: 1.1220226110750229
Energy: 1.4357415766001098
Energy: 1.431783507150477
Energy: 1.2400240049401146
Energy: 1.3606365565723841
Energy: 0.8557312404900164
Energy: 0.9387918679108538
Energy: 1.152877279714965
Energy: 0.8586432573200863
Energy: 0.8671454401161225
Energy: 1.7291839263785638
Energy: 1.0071547324533272
Energy: 0.939629426293479
Energy: 1.7394008784470072
Energy: 1.0027030913587651
Energy: 0.8995069365029271

minimum gb energy = 0.8115746726469036 eV
minimum distance =  2.6018731393297 Angstroms
sigma value = 43


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

Energy: 1.943623360947821
Energy: 1.4618462733874202
Energy: 1.2286779810429993
Energy: 1.945915406737915
Energy: 1.5714204684687858
Energy: 1.1001598824236172
Energy: 1.3011830502969293
Energy: 0.9728203202225681
Energy: 1.1722753783076643
Energy: 1.1542519774400206
Energy: 0.9727030134369506
Energy: 1.0312828276182064
Energy: 1.2900023546046793
Energy: 0.8710318037889148
Energy: 0.8704106133321607
Energy: 1.2925999410443134
Energy: 0.8702611025749045
Energy: 1.0253631492034476
Energy: 0.9197635810038165
Energy: 0.8735406676740197
Energy: 0.8948296508880976
Energy: 0.9196004412998419
Energy: 1.2513635603203392
Energy: 0.8873317923213915
Energy: 0.9280677764310067
Energy: 1.3073591923392807
Energy: 1.1770107136564663
Energy: 0.9376873673896049
Energy: 1.2897237245475792
Energy: 0.9605893213866062
Energy: 1.3244700601954782
Energy: 1.1260899246576843
Energy: 1.112227942380592
Energy: 1.2635677524190227
Energy: 1.026639836500615
Energy: 1.1463465701820779
Energy: 1.3767494843328487
Energy: 0.9010403266754857
Energy: 0.9007585510081443
Energy: 1.0228738505315358
Energy: 0.9029625380972355
Energy: 0.8985750222600245
Energy: 1.5402125528798694
Energy: 0.9460968205989662
Energy: 1.2561553184296275
Energy: 1.5566404822603686
Energy: 0.9219500047843492
Energy: 1.0977430042660155
Energy: 1.1862889990966219
Energy: 0.9980941079604649
Energy: 0.9840748523905946
Energy: 1.1881172102696562
Energy: 1.1837012610648652
Energy: 1.0457655048458199
Energy: 1.3908684943721152
Energy: 1.1582101471294235
Energy: 1.1321269390956334
Energy: 1.3931845707555424
Energy: 1.0900826931137364
Energy: 1.1567420711996568
Energy: 1.2326308116670777
Energy: 1.112571794772463
Energy: 1.1949019716114808
Energy: 1.2327003353186305
Energy: 1.3490199284447042
Energy: 1.210243992400963
Energy: 1.3800304175451044
Energy: 1.1971052250308536
Energy: 1.0613899498575297
Energy: 1.4173266611699231
Energy: 1.2813624489681203
Energy: 0.88572663825226
Energy: 1.3841294684139593
Energy: 1.0277329146490202
Energy: 1.0431668391299687
Energy: 1.3446556007055763
Energy: 1.054849726392117
Energy: 1.0400560168275559
Energy: 1.2436523569741664
Energy: 0.9903821086138861
Energy: 1.1000079235603308
Energy: 1.2434576098740104
Energy: 0.9896850675598112
Energy: 1.0941232180013658
Energy: 1.1178075014626698
Energy: 1.3210668314310094
Energy: 1.3454190234341266
Energy: 1.1177478912812802
Energy: 1.2860635859972556
Energy: 1.2740976641914754
Energy: 0.9118759416153462
Energy: 0.9519683204895942
Energy: 0.8601017314239475
Energy: 0.8624951899406935
Energy: 1.1273152743522727
Energy: 0.8599180193985171
Energy: 0.9879660832698879
Energy: 0.923474574558722
Energy: 0.8782353632961274
Energy: 0.9549783794210447
Energy: 1.3517200096869288
Energy: 0.9106121558378792
Energy: 1.2739109816940737
Energy: 1.1433706528258425
Energy: 1.0692464454825727
Energy: 1.2868636286363675
Energy: 1.1077762500739523
Energy: 0.8712525339086917
Energy: 1.3239227150927957
Energy: 1.1537393697978848
Energy: 1.1324182950209716
Energy: 1.3519531414564194
Energy: 1.1408906973538877
Energy: 1.0618718684673973
Energy: 1.324881666159316
Energy: 1.2317178070154216
Energy: 1.164487914612559
Energy: 1.342907263056495
Energy: 1.3363715830576697
Energy: 1.122284819244996
Energy: 1.242471774744192
Energy: 1.1023727261525393
Energy: 1.192567208639244
Energy: 1.2440612519254022
Energy: 1.1935203346485113
Energy: 1.0732547226362514
Energy: 1.3143123249096083
Energy: 1.1181814083247934
Energy: 1.1172287041964484
Energy: 1.3144624637931936
Energy: 1.6437737803428378
Energy: 1.1845233036142677
Energy: 1.0281549719827427
Energy: 1.0569723728496683
Energy: 1.071112487254985
Energy: 1.0301727361442512
Energy: 1.1124931185377755
Energy: 1.0735241506083475
Energy: 1.3489095616622593
Energy: 1.3225743244837633
Energy: 1.1674094119378915
Energy: 1.3157882719047242
Energy: 1.212996582954279
Energy: 1.1673890204222717
Energy: 1.2435202911682022
Energy: 0.869496799752386
Energy: 0.8539288261376188
Energy: 1.2135191770522782
Energy: 0.8722801280216949
Energy: 0.8681894903224735
Energy: 1.2536698214408082
Energy: 0.8883560900104478
Energy: 0.9822605704406979
Energy: 1.191583650534118
Energy: 0.8709435449954269
Energy: 0.9813646682443351
Energy: 1.1731101732025542
Energy: 1.2329883257494059
Energy: 1.1896501579626604
Energy: 1.08551611202599
Energy: 1.2472065842385842
Energy: 1.1421334784991897
Energy: 0.9805165283599921
Energy: 1.1071161264258134
Energy: 0.9826371470491692
Energy: 0.9823346040363511
Energy: 1.1393897596693916
Energy: 0.963149440383046
Energy: 1.350869498213635
Energy: 1.1264822171644837
Energy: 0.9941700359149024
Energy: 1.249467329195861
Energy: 1.5443004633547663
Energy: 1.1956171512664504
Energy: 1.2982799157925087
Energy: 0.9726670238084703
Energy: 1.1110001648642804
Energy: 1.2704585269321669
Energy: 1.1397475516351698
Energy: 1.0299247085591035
Energy: 1.9678004617162186
Energy: 1.5914589998842812
Energy: 1.2597828295971976
Energy: 1.8737438838173934
Energy: 1.5189408563914217
Energy: 1.2597539228580905

minimum gb energy = 0.8539288261376188 eV
minimum distance =  2.52155438954526 Angstroms
sigma value = 57


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

Energy: 1.4052041584071444
Energy: 1.0970943898565917
Energy: 1.094528603470886
Energy: 1.407398127461928
Energy: 1.3561558047737379
Energy: 1.0922484274716209
Energy: 1.2482557297747663
Energy: 0.9475826117620291
Energy: 1.0999291444248374
Energy: 0.943231503551246
Energy: 0.9367974162318439
Energy: 1.0898481913425426
Energy: 1.2733615718682536
Energy: 1.1372870348200834
Energy: 1.1342696307781677
Energy: 1.2757238884158124
Energy: 0.8036044465936975
Energy: 1.2021580275315342
Energy: 0.8715230675662354
Energy: 0.8032813200524036
Energy: 0.8079768743655495
Energy: 0.8722122099703408
Energy: 1.3024823994478516
Energy: 0.8714726195620129
Energy: 0.9536988473819258
Energy: 0.8518472798398602
Energy: 1.1802694411827939
Energy: 0.9535873509446411
Energy: 0.9904632456856503
Energy: 1.0265447587034329
Energy: 1.213747264667572
Energy: 0.9760795049070722
Energy: 1.1291369633925457
Energy: 1.1899303815503317
Energy: 1.0607767402575337
Energy: 1.2162743955774218
Energy: 0.9605257513527465
Energy: 0.9298522034066504
Energy: 0.9303916668907686
Energy: 0.9637285351206373
Energy: 0.9331685870275227
Energy: 0.929584959205583
Energy: 1.2095146670669565
Energy: 1.417182468829648
Energy: 1.4198137174308305
Energy: 1.2482733256460024
Energy: 1.1087501607874055
Energy: 0.9269462655139761
Energy: 1.224873298684916
Energy: 1.082493861721414
Energy: 1.0884033151811507
Energy: 0.9730991161020962
Energy: 1.2689246544641382
Energy: 1.090157221658302
Energy: 1.2168345444249165
Energy: 0.9652325524485313
Energy: 1.4201203907881883
Energy: 1.2198663174889148
Energy: 1.1330719213569458
Energy: 1.3929468974067032
Energy: 1.3424286818709876
Energy: 1.0011590935192305
Energy: 1.1056868715030244
Energy: 1.3439436469319614
Energy: 1.225499765143719
Energy: 1.1402132716303055
Energy: 1.4026350785454649
Energy: 1.2683439233463931
Energy: 1.0995542196597794
Energy: 1.4037756848425276
Energy: 1.105108849355315
Energy: 0.9910462356158062
Energy: 1.248875358448168
Energy: 1.1000638465597092
Energy: 1.0453456407688089
Energy: 1.2512542361153685
Energy: 1.0994174656592568
Energy: 1.04484043487368
Energy: 1.3384593214609737
Energy: 0.9449568467653701
Energy: 1.0886244710503474
Energy: 1.3448697288173417
Energy: 0.9934086047280564
Energy: 0.8879329656628763
Energy: 1.060362443746853
Energy: 1.1455005881237317
Energy: 1.1484870573775023
Energy: 0.9358430452973094
Energy: 1.4370681885961387
Energy: 1.0417780130449144
Energy: 0.9214906850910427
Energy: 0.9258168972885062
Energy: 0.9556223422073671
Energy: 0.92330903340868
Energy: 1.066069904871726
Energy: 0.8750857734726049
Energy: 1.2356372314260773
Energy: 1.1776601253347512
Energy: 1.023900681133958
Energy: 1.1502052598028722
Energy: 1.3050377139112384
Energy: 1.1855691167620808
Energy: 1.2884318571275595
Energy: 0.9716609521746817
Energy: 0.8460399013873555
Energy: 1.2899969159398985
Energy: 0.9707792025075281
Energy: 0.8574705347833292
Energy: 0.9627643943246632
Energy: 0.926423957172305
Energy: 0.9263126870040237
Energy: 0.9622972086623647
Energy: 0.9259054264636196
Energy: 0.8857996637516321
Energy: 1.1140310870116839
Energy: 1.298728138952449
Energy: 0.9330340178876063
Energy: 1.2473668244714635
Energy: 1.273125574430949
Energy: 1.0854584358603476
Energy: 1.245465974450521
Energy: 1.0843350927138096
Energy: 1.085525234824188
Energy: 1.2471742027097519
Energy: 0.9929387412724938
Energy: 1.1411082424981025
Energy: 1.4846636912949207
Energy: 1.1513432078282957
Energy: 1.152287065759911
Energy: 1.4866269920231008
Energy: 1.7446839012716244
Energy: 1.1556689038306531
Energy: 1.3054655967606148
Energy: 0.9439960478115738
Energy: 1.0858831557121007
Energy: 1.0566334447625516
Energy: 1.1224497723024054
Energy: 1.1865389294926219
Energy: 1.2489002277356125
Energy: 1.265757860258413
Energy: 1.0460361749676832
Energy: 1.3995827097799372
Energy: 1.2645245675829775
Energy: 1.0458377716351055

minimum gb energy = 0.8032813200524036 eV
minimum distance =  2.59300578842425 Angstroms
sigma value = 17


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

Energy: 1.717463272782493
Energy: 1.2667451083507009
Energy: 1.2215883507676377
Energy: 1.7188685018711698
Energy: 1.3962677138598771
Energy: 1.321327895802221
Energy: 1.1549402063864322
Energy: 1.0104181193159232
Energy: 1.0094310013837924
Energy: 1.16851054544188
Energy: 1.0193078886242235
Energy: 1.0170083128646095
Energy: 1.2645369874939565
Energy: 0.9320316668809603
Energy: 0.8511772327071567
Energy: 1.267169268594847
Energy: 0.9316841604575168
Energy: 0.8526377803538252
Energy: 1.0670907794272342
Energy: 0.8509372654237068
Energy: 0.8517920199360931
Energy: 0.9835260798453704
Energy: 1.1573179878348328
Energy: 0.9780707800786447
Energy: 1.1152407559202786
Energy: 1.005631981640041
Energy: 0.9854632396950571
Energy: 1.1168594598462946
Energy: 1.1358748497164224
Energy: 1.156046434045123
Energy: 1.3592900678813178
Energy: 0.8295733394863842
Energy: 1.034595464000679
Energy: 1.2064558038269273
Energy: 0.8302462908164205
Energy: 1.1033812895609942
Energy: 1.1868226581808952
Energy: 0.8334904809046387
Energy: 0.833058461870297
Energy: 1.185104844856485
Energy: 0.8377506856397583
Energy: 0.9688024507175267
Energy: 1.268172669674202
Energy: 1.1220928947549447
Energy: 1.1583915636677746
Energy: 1.2705546570730808
Energy: 1.1497948887731686
Energy: 1.1578934829814609
Energy: 0.887750852106226
Energy: 0.9563813083224648
Energy: 1.0976500720736586
Energy: 0.890049055388589
Energy: 1.2197397188027628
Energy: 0.8245610872210283
Energy: 0.8916015889136911
Energy: 0.9420531567955024
Energy: 0.9402895088501261
Energy: 0.8293730972475821
Energy: 1.0758142611600816
Energy: 0.9402908325222264
Energy: 1.352875275801366
Energy: 0.9737394681207567
Energy: 1.1185542308742924
Energy: 1.2891603209971894
Energy: 1.021525331640347
Energy: 1.0489264134411493
Energy: 1.336531898076135
Energy: 1.006392225613455
Energy: 1.0065667658919968
Energy: 1.3303151235989856
Energy: 1.0059510783163503
Energy: 1.0063963041899164
Energy: 1.3887685713535023
Energy: 1.2422253771301117
Energy: 1.1583701982056096
Energy: 1.2407474975601316
Energy: 1.3425304130513986
Energy: 1.2032072494896435
Energy: 1.4202252253265242
Energy: 1.010799949749394
Energy: 1.0148627205532026
Energy: 1.2331224840283892
Energy: 1.2342738995156626
Energy: 1.306923817948529
Energy: 1.3595502407304465
Energy: 1.2053346614507467
Energy: 1.1535446854978508
Energy: 1.3152943779582984
Energy: 1.2680255589167482
Energy: 1.1523163898381312
Energy: 1.5050835077791191
Energy: 1.191069675552252
Energy: 1.0206885607183123
Energy: 1.452623474642108
Energy: 1.200992961427413
Energy: 1.241400422801834
Energy: 1.4446875523866856
Energy: 1.2404634388006581
Energy: 1.1537388927841152
Energy: 1.4444642278262065
Energy: 1.3929230500850514
Energy: 1.1538249022032443

minimum gb energy = 0.8245610872210283 eV
minimum distance =  2.59105223202915 Angstroms
sigma value = 17


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

Energy: 1.8374769554435628
Energy: 1.1835613275103223
Energy: 1.2082550697976169
Energy: 1.8434054119660417
Energy: 1.3161193688095034
Energy: 1.210955663885053
Energy: 1.4226445335495181
Energy: 0.9952454033660001
Energy: 1.0923942685677486
Energy: 1.2168679081888172
Energy: 1.183183316104982
Energy: 1.0901804334456633
Energy: 1.3053884875626696
Energy: 1.1700006801846594
Energy: 1.0475061224568532
Energy: 1.307763169843678
Energy: 1.2125695069879114
Energy: 1.0466127874570181
Energy: 1.085653299238696
Energy: 0.9344184132657362
Energy: 0.9361352461778225
Energy: 1.0861879102731027
Energy: 1.2181309478812852
Energy: 1.0956059792158317
Energy: 1.0377105295859317
Energy: 0.9652470827835146
Energy: 0.9352256191747211
Energy: 1.103092748588988
Energy: 1.0406587996393013
Energy: 1.065760169643435
Energy: 1.5492597386101008
Energy: 0.8146585718957835
Energy: 0.9663357803693404
Energy: 1.298825926278597
Energy: 0.8979683623363974
Energy: 0.9394229862965632
Energy: 1.1366387312309763
Energy: 0.9092702977176975
Energy: 0.8142507163407156
Energy: 1.1388363464821105
Energy: 0.9032956201340046
Energy: 0.9502255574042509
Energy: 1.1594488768201865
Energy: 1.0055556070990033
Energy: 0.9994278311174218
Energy: 1.1614838451875455
Energy: 1.0012267965830879
Energy: 0.9839413753992138
Energy: 0.8118548779365283
Energy: 0.9993014570783881
Energy: 0.7604493847146606
Energy: 0.7613393850842274
Energy: 1.057622933727478
Energy: 0.759387450436147
Energy: 0.9228319336222014
Energy: 0.9936650890527093
Energy: 0.9754336528247337
Energy: 0.9244307867019749
Energy: 0.9611378069610371
Energy: 0.9581968162867014
Energy: 1.2105019888313406
Energy: 0.8352928309996711
Energy: 0.9950753594037708
Energy: 1.1486006923098224
Energy: 0.835866014068389
Energy: 0.967655639854893
Energy: 1.0990618747380327
Energy: 0.7675162034343443
Energy: 0.7572405341843849
Energy: 1.1014140605602354
Energy: 0.8103451110942055
Energy: 0.8627729185631434
Energy: 0.9698210072544852
Energy: 1.0671745511335042
Energy: 1.0679977434627956
Energy: 0.995894403107876
Energy: 1.2375019995956362
Energy: 1.0725959441765214
Energy: 0.8548856981167711
Energy: 1.0843766720862866
Energy: 1.0842426089067492
Energy: 0.8566098126757351
Energy: 1.2480602816454134
Energy: 0.8519007899061257
Energy: 0.862847092733284
Energy: 1.153585932956075
Energy: 1.1000426730435622
Energy: 0.8520005764749554
Energy: 1.1431465166115968
Energy: 0.9508939177933203
Energy: 1.280026151852278
Energy: 1.201862900481432
Energy: 1.0399671573528033
Energy: 1.2886088663635697
Energy: 1.2100738360705385
Energy: 1.0427512951444335
Energy: 1.21354991700244
Energy: 1.0030616510122858
Energy: 1.0035051034724833
Energy: 1.187930818433217
Energy: 1.0513440787591641
Energy: 0.9605141506396634
Energy: 1.120915325993918
Energy: 1.2664059193852877
Energy: 1.003640982196881
Energy: 1.1523325410708447
Energy: 1.255378519229236
Energy: 0.925280067700698
Energy: 1.2665194746789505
Energy: 1.1591251204333561
Energy: 1.2919043704360065
Energy: 1.2684837290087052
Energy: 1.4711863022955738
Energy: 1.1414741028817887
Energy: 1.384438340383215
Energy: 1.304006469300694
Energy: 1.3040606679861444
Energy: 1.3849022662474066
Energy: 1.4929132768550557
Energy: 1.203547464491457
Energy: 1.3852308325924045
Energy: 1.0993144736460139
Energy: 1.0877880331449297
Energy: 1.3375973641488081
Energy: 1.4338654226936565
Energy: 1.0895630146942619
Energy: 1.196333659784253
Energy: 1.164815334315752
Energy: 1.244221650533985
Energy: 1.2403279892748913
Energy: 1.2422696638467376
Energy: 1.2329256463898488
Energy: 1.3025938286441674
Energy: 1.0648816086106414
Energy: 1.1357636800068955
Energy: 1.3340243034669301
Energy: 1.1962572274384147
Energy: 1.1434623271022473
Energy: 1.3304257545364009
Energy: 1.3319804877333257
Energy: 1.138973828449848
Energy: 1.3336012853358699
Energy: 1.3107981857925193
Energy: 1.0916577606532416
Energy: 1.0406379272152029
Energy: 1.172127821834231
Energy: 1.1748423245339148
Energy: 1.0408085676401295
Energy: 1.1864927970743886
Energy: 1.0463164970012393
Energy: 1.0586666085998595
Energy: 1.0840685576866358
Energy: 1.1040991898751729
Energy: 1.0587055625585065
Energy: 1.0446812819697575
Energy: 1.0576927798762503
Energy: 1.2711682729845928
Energy: 1.1340780980635272
Energy: 0.8853554511790214
Energy: 0.9986101807320229
Energy: 1.289740179443267
Energy: 1.0333442598394182
Energy: 1.0910895272039696
Energy: 0.8231298591487771
Energy: 0.8148427046305664
Energy: 1.0623750559400984
Energy: 0.9018608258199176
Energy: 0.8132548132100097
Energy: 1.2547196558783251
Energy: 1.0367637591476901
Energy: 1.020825199815087
Energy: 1.1016727777832298
Energy: 0.9851744260827394
Energy: 0.9635952335510352
Energy: 0.8399366482912933
Energy: 1.0042400626962293
Energy: 0.9736124546842855
Energy: 0.7563866606458912
Energy: 0.9983467882456848
Energy: 0.9600032477374197
Energy: 0.8632724017409391
Energy: 1.0368296385013838
Energy: 1.0182820649916242
Energy: 0.7709029912168234
Energy: 1.0661375378398046
Energy: 0.8858079233004772
Energy: 1.316129056026653
Energy: 0.9927768956438647
Energy: 1.0182557709420512
Energy: 1.317282747703302
Energy: 0.9745549349019532
Energy: 1.031672924956978
Energy: 1.0905819976921716
Energy: 0.766960971706452
Energy: 0.7588720920744595
Energy: 1.0906729548757028
Energy: 0.8104292881456481
Energy: 0.7595371461993263
Energy: 1.491563005171125
Energy: 0.8615462287740658
Energy: 0.9495638881493471
Energy: 1.4675738917581587
Energy: 0.8044039671988698
Energy: 0.9659737783450391
Energy: 0.8678465573619468
Energy: 1.097556632948274
Energy: 1.07388877251732
Energy: 0.8688742638174187
Energy: 1.1418723913841182
Energy: 1.0725550613710588
Energy: 0.862045988155857
Energy: 1.1075461810625469
Energy: 0.852156849479095
Energy: 0.8517422925636541
Energy: 1.1020032150987709
Energy: 0.8534509692262361
Energy: 1.232086395305696
Energy: 0.9293628841271981
Energy: 1.104422400360472
Energy: 1.2348384318818313
Energy: 1.1192247608670391
Energy: 1.0379252681187459
Energy: 1.2193169733739229
Energy: 0.9932813210306025
Energy: 0.9879543528541398
Energy: 1.1574461182304625
Energy: 1.0466939571566265
Energy: 1.0022231980393392
Energy: 1.694448627849527
Energy: 1.2704938738766565
Energy: 1.1470849977743174
Energy: 1.383542700745463
Energy: 1.3124281934566064
Energy: 1.0815693164484272
Energy: 1.297916631444167
Energy: 1.0929208580925633
Energy: 1.0933516389584077
Energy: 1.3002931228916106
Energy: 1.3498785775504978
Energy: 1.1232506435036762
Energy: 1.340645964629322
Energy: 1.3017051426383428
Energy: 1.3627831908138877
Energy: 1.314278100824312
Energy: 1.3144119780186383
Energy: 1.2528791525405776
Energy: 1.4038771799854552
Energy: 1.0609255231487176
Energy: 1.2051783983548119
Energy: 1.4064961039837063
Energy: 1.408356518364802
Energy: 1.1506003195095476
Energy: 1.3026638829839419
Energy: 1.1636825646529103
Energy: 1.0663982639709253
Energy: 1.3029956743944824
Energy: 1.2938511940268291
Energy: 1.143416383133477

minimum gb energy = 0.7563866606458912 eV
minimum distance =  2.5654919095641 Angstroms
sigma value = 57


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

Energy: 1.6096330075401006
Energy: 1.2051868511954438
Energy: 1.2875665790150044
Energy: 1.610680719361529
Energy: 1.4134280578850802
Energy: 1.2901876165538368
Energy: 1.4004968739487789
Energy: 1.2534965944839656
Energy: 1.1328609752129466
Energy: 1.266733292699772
Energy: 1.2331584067929529
Energy: 1.049864803166777
Energy: 1.2164987650202108
Energy: 1.0716312486519233
Energy: 1.0690158181057716
Energy: 1.218880337091209
Energy: 1.0579882173909387
Energy: 1.020750879675226
Energy: 1.0575437798024905
Energy: 1.0765979960908512
Energy: 0.9384098946056576
Energy: 1.0604477596947575
Energy: 1.1604002934524091
Energy: 1.0653006718049582
Energy: 1.1722048144862909
Energy: 0.9578102585090144
Energy: 0.9241777235815957
Energy: 1.174851012316327
Energy: 1.1081184757849742
Energy: 1.069781689918647
Energy: 1.300054025242056
Energy: 0.9095408486791025
Energy: 1.0427807815377441
Energy: 1.0494907377863798
Energy: 0.9031172317996646
Energy: 1.0532112766623443
Energy: 1.1887306063287795
Energy: 0.872847825724137
Energy: 0.8795326349266949
Energy: 1.1675610404954544
Energy: 0.8712337291073058
Energy: 1.007966725108339
Energy: 1.1978664053840176
Energy: 0.9449901312844051
Energy: 0.9136752346282928
Energy: 1.2006957540872283
Energy: 0.9536328126040704
Energy: 0.9398814583349955
Energy: 0.8072558636161051
Energy: 0.986410739301457
Energy: 0.7315984334950952
Energy: 0.8091042552666396
Energy: 1.0132145106677237
Energy: 0.8212677513167949
Energy: 0.8640536738704988
Energy: 0.8836419443904413
Energy: 0.9487793207427994
Energy: 0.8646849038069566
Energy: 0.9609177321946714
Energy: 0.9649377626767547
Energy: 1.1585592908062916
Energy: 0.7009494173298919
Energy: 0.886854302228261
Energy: 0.9532694469255792
Energy: 0.7782172692642395
Energy: 0.9146627941247772
Energy: 1.0344961330703435
Energy: 0.7156594176627715
Energy: 0.7054822211185292
Energy: 1.0017050559742426
Energy: 0.787234648381785
Energy: 0.9211811679329379
Energy: 1.0385436542823734
Energy: 0.915749898540786
Energy: 0.9165550170856746
Energy: 0.9881740504173637
Energy: 0.9295120394945195
Energy: 0.9170817357367548
Energy: 0.7375102751043204
Energy: 0.9651944472554599
Energy: 0.7043863020399042
Energy: 0.7397686598771862
Energy: 1.0628462040077882
Energy: 0.7566250330296701
Energy: 0.7641533561172268
Energy: 0.9078522059054357
Energy: 0.9198080261397928
Energy: 0.7652379678012569
Energy: 0.9164714456144448
Energy: 0.9070200988097912
Energy: 1.1483546636950526
Energy: 0.7869952805811894
Energy: 0.9447127117129802
Energy: 1.1034756161766708
Energy: 0.783806024458548
Energy: 0.9542838001573202
Energy: 1.1461052180961628
Energy: 0.7823738168565355
Energy: 0.7651202965429248
Energy: 1.0757179066012974
Energy: 0.7759292296261855
Energy: 0.8711393078376087
Energy: 1.1343712951111116
Energy: 1.0448951922033074
Energy: 0.9422786096662972
Energy: 1.1009076721336928
Energy: 1.1177969356482391
Energy: 0.9309371209402717
Energy: 0.9316623642795224
Energy: 0.9971638446542007
Energy: 0.8299269687196872
Energy: 0.8667145708278334
Energy: 1.1395535099397636
Energy: 0.863987990236015
Energy: 1.2587793934771907
Energy: 0.988740307572333
Energy: 0.9852729653616189
Energy: 1.2603664195789903
Energy: 0.9930493020290989
Energy: 0.9793019350696326
Energy: 1.2799228704426768
Energy: 1.1464284488457406
Energy: 1.0709345548655334
Energy: 1.2235509234116337
Energy: 1.143344334978791
Energy: 1.0595654467530329
Energy: 1.1219644522997094
Energy: 1.0545056769861698
Energy: 1.046836844545762
Energy: 1.054576260942472
Energy: 1.0504607380989666
Energy: 1.154437070830449
Energy: 1.215411928899247
Energy: 1.2572808133941182
Energy: 1.0110390532317939
Energy: 1.2170324235200762
Energy: 1.2191803813097437
Energy: 1.0227591004631384
Energy: 1.191379038084236
Energy: 1.1225189607306938
Energy: 1.1254291275658146
Energy: 1.1942872125106987
Energy: 1.3419545117779257
Energy: 1.2088602531045596
Energy: 1.4279621298144465
Energy: 1.162884796532511
Energy: 1.2152665949172414
Energy: 1.3884301789739706
Energy: 1.1624380839114066
Energy: 1.1386374560417138
Energy: 1.3615589564002544
Energy: 1.1147665223647936
Energy: 1.0515921772587382
Energy: 1.2587324077379851
Energy: 1.3248543706030296
Energy: 1.041720687470285
Energy: 1.395137218285669
Energy: 1.228744571062042
Energy: 1.1630874191923042
Energy: 1.0789501563131714
Energy: 1.2836576890040912
Energy: 1.004777098965433

minimum gb energy = 0.7009494173298919 eV
minimum distance =  2.54660826510632 Angstroms
sigma value = 43


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

Energy: 1.5651594927596537
Energy: 1.073620498209127
Energy: 1.0890839147650027
Energy: 1.5657914810276263
Energy: 1.1214741410876286
Energy: 1.0486172752367289
Energy: 1.1167213661834916
Energy: 1.0521327657347785
Energy: 1.0108055507889278
Energy: 1.0559463496472405
Energy: 1.1439687901475268
Energy: 0.9704273691396021
Energy: 1.1359524495585493
Energy: 0.9911127102859483
Energy: 1.0065865435438914
Energy: 1.138224962075513
Energy: 0.9902895424919899
Energy: 1.0087187448420827
Energy: 0.9849570978750116
Energy: 1.0086860610657207
Energy: 1.0082036940821901
Energy: 0.9859978648586567
Energy: 1.0783525736831283
Energy: 0.8059660364860386
Energy: 1.1245513153447741
Energy: 0.8871889890159449
Energy: 0.8439577509365375
Energy: 1.1266833872186814
Energy: 0.9772066644222664
Energy: 0.8610768435150632
Energy: 1.4207423349447001
Energy: 0.7855321589525497
Energy: 0.9917209336893251
Energy: 0.8631131516877222
Energy: 0.7824155100929955
Energy: 0.8514428825361491
Energy: 1.138893532479447
Energy: 0.8696049179168869
Energy: 0.816461860034015
Energy: 1.0726050934607745
Energy: 0.9174857450641873
Energy: 0.8311303860019597
Energy: 1.1368381150815003
Energy: 0.8479877973589087
Energy: 0.8439524663762746
Energy: 1.127299600301833
Energy: 0.8481650630217941
Energy: 0.8579384828388893
Energy: 0.7152308740040666
Energy: 0.8604998999256263
Energy: 0.7133263517346611
Energy: 0.7170123006191403
Energy: 0.9599588460689731
Energy: 0.7125286756526139
Energy: 0.8901349338079315
Energy: 0.7802480682164895
Energy: 0.7511733062484603
Energy: 0.8620759381023112
Energy: 1.0455310174420802
Energy: 0.8187159293634773
Energy: 1.3158018991202072
Energy: 0.6763140996608414
Energy: 0.8636849009239893
Energy: 0.8454638119297929
Energy: 0.6765462313446982
Energy: 0.8399763034687984
Energy: 0.9861743042403982
Energy: 0.6740359755073657
Energy: 0.6746354466027594
Energy: 0.9486687471256068
Energy: 0.6741007945869265
Energy: 0.8247242694326232
Energy: 0.9539973590613036
Energy: 0.7780766482290951
Energy: 0.729584409503133
Energy: 0.9208894077105486
Energy: 0.7692588374438823
Energy: 0.8394622554776114
Energy: 0.6549101170823945
Energy: 0.9344659067311245
Energy: 0.6550409474114111
Energy: 0.6557418195217543
Energy: 0.8516382732594656
Energy: 0.6529461101303298
Energy: 0.8838009142818499
Energy: 0.7593891290456926
Energy: 0.7752392253963628
Energy: 0.8382026719075785
Energy: 0.754815048112449
Energy: 0.7414883140990746
Energy: 0.9096495661679951
Energy: 0.6323407432016878
Energy: 0.7684814217782061
Energy: 0.7764548392170637
Energy: 0.6916111948103679
Energy: 0.7580199217403745
Energy: 0.8662350276172922
Energy: 0.6416509814038012
Energy: 0.6415190807108899
Energy: 0.8362989617330594
Energy: 0.6709669773712023
Energy: 0.7610864623635034
Energy: 0.871999225578505
Energy: 0.7568686625861423
Energy: 0.7628089532541931
Energy: 0.8320926632812161
Energy: 0.7476329539783183
Energy: 0.7697578297523966
Energy: 0.6131165735848594
Energy: 0.8815089405168303
Energy: 0.6134496960618391
Energy: 0.6161495083915951
Energy: 0.8858470693547322
Energy: 0.612567543621352
Energy: 0.9104524678457742
Energy: 0.7679360802368698
Energy: 0.7614660849644733
Energy: 0.8713295444152666
Energy: 0.7253699804465255
Energy: 0.8184746127281091
Energy: 0.9372476466758144
Energy: 0.6510156799161676
Energy: 0.6234470361402756
Energy: 0.8878510752619009
Energy: 0.6506494224291377
Energy: 0.787078807660001
Energy: 0.8875729979820656
Energy: 0.6284080271918028
Energy: 0.7126286879418581
Energy: 0.822562791952745
Energy: 0.6551849952617338
Energy: 0.8123716792154526
Energy: 0.9205397515461322
Energy: 0.8213354243951507
Energy: 0.8292326574281629
Energy: 0.8988866063037059
Energy: 0.8259229019836849
Energy: 0.7848413893418887
Energy: 0.7325588792766021
Energy: 0.947245604530174
Energy: 0.6771000273131637
Energy: 0.6795121072339537
Energy: 0.9005083965578305
Energy: 0.6771447775655992
Energy: 1.0513737269877965
Energy: 0.8151348588804477
Energy: 0.7527901900856884
Energy: 1.024134350229407
Energy: 0.8076249040428997
Energy: 0.8242216111010343
Energy: 1.0558146844413743
Energy: 0.7225921733754874
Energy: 0.713724232467617
Energy: 0.9507052333128939
Energy: 0.7646808652339288
Energy: 0.8754298982897644
Energy: 1.367533737775859
Energy: 0.7129213903425087
Energy: 0.8097869301598838
Energy: 0.8519118025402141
Energy: 0.7132768617323012
Energy: 0.8560298974384093
Energy: 0.971876485306297
Energy: 0.7929322108096265
Energy: 0.7907121240756432
Energy: 0.9325208178722365
Energy: 1.0362250948093488
Energy: 0.8269551254719352
Energy: 0.8202692453457294
Energy: 0.8792361352964453
Energy: 0.7723907466156971
Energy: 0.8222735842451202
Energy: 1.028165055680048
Energy: 0.7758857159435745
Energy: 1.12537115343413
Energy: 0.9178291992706459
Energy: 0.9170000381610347
Energy: 1.1211014804844444
Energy: 0.9244214199370385
Energy: 0.9331237387505201
Energy: 1.1394572559979168
Energy: 1.0205862829196042
Energy: 0.9772931319562799
Energy: 1.0781788832821422
Energy: 1.0790092899833374
Energy: 0.9992269175162568
Energy: 1.5107193250014648
Energy: 0.9133378522218183
Energy: 0.9705781921030208
Energy: 0.9361155130998468
Energy: 0.9178173271792991
Energy: 0.92913939264999
Energy: 1.2078143857439587
Energy: 0.9633842654560782
Energy: 0.9191177298396399
Energy: 1.1394742852998259
Energy: 0.9455044748948197
Energy: 0.9431216113008261
Energy: 1.1451708500344486
Energy: 1.0084882639322217
Energy: 1.0125523308957898
Energy: 1.0951271130567402
Energy: 1.084023444662655
Energy: 0.9944038013012984
Energy: 1.1915158082365123
Energy: 1.0076361396969544
Energy: 0.9450585913323348
Energy: 1.1404448985723423
Energy: 1.0028062799409498
Energy: 0.9458168853719229
Energy: 1.1009142197737798
Energy: 1.0226419007955465
Energy: 0.9474386722946502
Energy: 1.0570788202724248
Energy: 1.0612165566814165
Energy: 0.9432207262949788

minimum gb energy = 0.612567543621352 eV
minimum distance =  2.55561149600667 Angstroms
sigma value = 81


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

Energy: -0.0141343383811982
Energy: 0.037506361998556496
Energy: -0.013085794171702525
Energy: -0.010786749870059382
Energy: 0.03619443448646826
Energy: -0.012980009038989111
Energy: 0.03842218524387972
Energy: -0.010515175491479638
Energy: -0.012690659358562844
Energy: 0.038276086575055074
Energy: -0.0098428802917728
Energy: -0.012544759010723718
Energy: 0.03561050924479197
Energy: -0.013110144171248254
Energy: -0.013302692695407629
Energy: 0.03565893010003802
Energy: -0.013316933530216514
Energy: 0.03683151678402581
Energy: -0.00974040343634606
Energy: -0.012756333616954533
Energy: -0.010991384566272104
Energy: -0.009350804210922497
Energy: -0.013089643516790405
Energy: 0.037977286140602855
Energy: 0.03689812782014029
Energy: 0.03552187797311609
Energy: 0.03737496521492602
Energy: 0.03837745086741512
Energy: 0.035933053819091725
Energy: 0.037781837568734614
Energy: -0.012547310961189733
Energy: -0.01272952300902351
Energy: -0.012295860840155416
Energy: -0.009700132013403707
Energy: -0.012590457379576704
Energy: -0.012793127028358098
Energy: 0.035742611867985684
Energy: -0.012902358050551128
Energy: -0.012734306201576485
Energy: 0.03748126100072258
Energy: -0.012760692232504433
Energy: -0.01249067697051604
Energy: 0.035641799653924985
Energy: -0.012505425267401296
Energy: -0.013265709842706733
Energy: 0.03561617119380665
Energy: -0.013472773538349053
Energy: -0.011553117319319347
Energy: -0.011144611434353536
Energy: -0.012094030407825087
Energy: -0.010892864281230496
Energy: -0.009752536845133473
Energy: -0.012979363141938243
Energy: 0.039632009691915916
Energy: -0.011766979081353523
Energy: 0.03575182122270874
Energy: 0.035661936838799764
Energy: -0.010391679618254194
Energy: 0.036197151128895426
Energy: 0.03596391483274319

minimum gb energy = -0.0141343383811982 eV
minimum distance =  2.7430430594307 Angstroms
sigma value = 3


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

Energy: 1.646914184726105
Energy: 1.239713120029405
Energy: 1.2238795684456332
Energy: 1.0367969633458298
Energy: 1.2055199229063278
Energy: 1.0646151795396803
Energy: 1.0758983024383455
Energy: 1.0093682418626075
Energy: 1.0223874331236873
Energy: 1.131299353931395
Energy: 1.1042378406202125
Energy: 1.018170469957484
Energy: 1.0526276737891826
Energy: 1.04214268780535
Energy: 1.0797443852840785
Energy: 1.045942592994366
Energy: 1.0490731590409916
Energy: 1.044742102835766
Energy: 0.9346729813746435
Energy: 1.1112704795433388
Energy: 1.0851767789698938
Energy: 0.9131102794264147
Energy: 1.0726956258263127
Energy: 1.0886678439070787
Energy: 0.8359952358958496
Energy: 1.0881786813522578
Energy: 1.0755529510381103
Energy: 0.8357942653919446
Energy: 1.05116105579196
Energy: 1.088753721124313
Energy: 1.5513250583283311
Energy: 1.0926981570039194
Energy: 0.9852393436385004
Energy: 0.9566675902778359
Energy: 1.1382407323519814
Energy: 0.9848868211876973
Energy: 1.03516430706077
Energy: 0.7723820199335493
Energy: 0.8328146237057759
Energy: 0.9141763593685076
Energy: 0.7771795398355854
Energy: 0.9057514042359012
Energy: 0.9220551296159053
Energy: 0.9665884819988626
Energy: 0.9690924906403593
Energy: 0.923351547297079
Energy: 0.9745861085579054
Energy: 0.9044909128615666
Energy: 1.0822946935922098
Energy: 0.9643797541762983
Energy: 1.0108271811202914
Energy: 1.0505746582151447
Energy: 0.7740395416747304
Energy: 1.0131718765197664
Energy: 0.7149609608644564
Energy: 0.7862233129548672
Energy: 0.7861075020917371
Energy: 0.7139651993318339
Energy: 0.8336357810502811
Energy: 0.7860432072113025
Energy: 0.8801822353035337
Energy: 0.9214328353445229
Energy: 0.9202675575663374
Energy: 0.8868948578412512
Energy: 0.971001223001607
Energy: 0.9597006734315437
Energy: 0.7182248593719983
Energy: 0.9452441064275807
Energy: 0.9267620174414904
Energy: 0.713653499642609
Energy: 0.9290327996273597
Energy: 0.7160012292476503
Energy: 0.7303460800533351
Energy: 0.8615024167766212
Energy: 0.8461243088365784
Energy: 0.7179480241848495
Energy: 0.8511533480940043
Energy: 0.7290333262834015
Energy: 1.1287237851037901
Energy: 0.7175506567618054
Energy: 0.8784353440047505
Energy: 0.9789263099192653
Energy: 0.650334396984338
Energy: 0.8927085009558623
Energy: 0.8484921369271776
Energy: 0.6499657711737975
Energy: 0.6495519152665594
Energy: 0.8295044071119512
Energy: 0.6576625913375581
Energy: 0.733656687781128
Energy: 0.8324448536544856
Energy: 0.8534132392927859
Energy: 0.8507269703847031
Energy: 0.8210721598637898
Energy: 0.8214190112544323
Energy: 0.8532637934439886
Energy: 0.6420181108842221
Energy: 0.8223757223627639
Energy: 0.8610739364378474
Energy: 0.6346815418156869
Energy: 0.8416073214759295
Energy: 0.6336566235762687
Energy: 0.6346103462819449
Energy: 0.8064562853076098
Energy: 0.7960091384889314
Energy: 0.6345967794315507
Energy: 0.8187542067041271
Energy: 0.7906317786101055
Energy: 1.1908856678087467
Energy: 0.7543723975068886
Energy: 0.8208182621610927
Energy: 0.8105363192603726
Energy: 0.8089966101000928
Energy: 0.8420336339220138
Energy: 0.7709961250722966
Energy: 0.6036461256539863
Energy: 0.6034543957617307
Energy: 0.7733666816824956
Energy: 0.6086669243744944
Energy: 0.6922103503930115
Energy: 0.9105086220659914
Energy: 0.8681462637279237
Energy: 0.8262345124742215
Energy: 0.8674105382919153
Energy: 0.8390823874815545
Energy: 0.889332175831579
Energy: 0.6890426971245578
Energy: 0.8177267988334277
Energy: 0.6674955651035474
Energy: 0.6846267775698068
Energy: 0.8255607347571527
Energy: 0.6815281460863701
Energy: 0.6808886985581971
Energy: 0.8764950226022525
Energy: 0.9172571690615369
Energy: 0.6799529562579498
Energy: 0.8559295018585995
Energy: 0.9058894865752865
Energy: 1.2947189353140314
Energy: 0.7286708019076378
Energy: 0.8059582064572814
Energy: 0.8840343890043239
Energy: 0.7291361005123892
Energy: 0.8711670215737648
Energy: 0.7930838205002093
Energy: 0.716651579769507
Energy: 0.7181825716996679
Energy: 0.7950533142843444
Energy: 0.7167453142693364
Energy: 0.7209846329730593
Energy: 0.9954999334953387
Energy: 0.9199830926613295
Energy: 0.8941081867587763
Energy: 0.9737390750071971
Energy: 0.8695541939450516
Energy: 0.9391746035276667
Energy: 0.7987424698599176
Energy: 0.9244409885857688
Energy: 0.8612975535125982
Energy: 0.8014718550428883
Energy: 0.6931196895403489
Energy: 0.785994197846083
Energy: 0.7340316183898562
Energy: 0.8436975588361384
Energy: 0.9069947418732897
Energy: 0.734239883359318
Energy: 1.0815124766026407
Energy: 0.8993512275448333
Energy: 0.9598497083653336
Energy: 0.882365626018225
Energy: 0.9429024817295132
Energy: 0.8965557098321983
Energy: 0.9208613387207326
Energy: 1.0148613894712948
Energy: 0.9973824473767443
Energy: 0.9507590748818803
Energy: 0.9016908376263064
Energy: 0.771941569792285
Energy: 0.9537855249529109
Energy: 0.8532964778339144
Energy: 0.9451947460180804
Energy: 1.0408675770233333
Energy: 1.0579323033426091
Energy: 0.9451168498900345
Energy: 1.024501855398246
Energy: 0.9816151268188359
Energy: 1.0486557088782267
Energy: 1.023538802995844
Energy: 1.0334937474150254
Energy: 1.0499864584317324
Energy: 0.8538051100518416
Energy: 0.8811961605103609
Energy: 0.9098751038309846
Energy: 1.0117976515199247
Energy: 0.8710850201724932
Energy: 0.9103465787588656
Energy: 1.065186331079484
Energy: 0.9708041991635353

minimum gb energy = 0.6034543957617307 eV
minimum distance =  2.52128455629832 Angstroms
sigma value = 67


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

Energy: 1.6406070122964629
Energy: 1.3680599505780644
Energy: 1.291526154822406
Energy: 1.6411806464374075
Energy: 1.3740699117969135
Energy: 1.3125378525071285
Energy: 1.1931983167755797
Energy: 1.2001243658476126
Energy: 1.1643053335342115
Energy: 1.205294603039993
Energy: 1.1975681410398618
Energy: 1.2066937349265712
Energy: 1.1508468522434552
Energy: 1.1690142269357973
Energy: 1.2711974416669394
Energy: 1.1512761898487398
Energy: 1.2583532352323743
Energy: 1.1793579478322376
Energy: 1.1479222304736423
Energy: 1.296933425083927
Energy: 1.2817219059127163
Energy: 1.1473884392591758
Energy: 1.1402803568560635
Energy: 1.2706914779180103
Energy: 1.049324211519228
Energy: 1.1779946181538823
Energy: 1.210258854694898
Energy: 1.0496575591320754
Energy: 1.1722280192644905
Energy: 1.2732119201551944
Energy: 1.5677703826570366
Energy: 1.2235455372563024
Energy: 1.2164937405862155
Energy: 1.1427197682818067
Energy: 1.2431465046735821
Energy: 1.2214180422376781
Energy: 0.9882466964283361
Energy: 1.003505493981384
Energy: 1.01163831976991
Energy: 0.9782805805430608
Energy: 0.8397789837673156
Energy: 0.9804948532030107
Energy: 0.9950446932683226
Energy: 1.0505259441558783
Energy: 0.9367761004039362
Energy: 0.9969366238175629
Energy: 1.0739867080895116
Energy: 1.0031175176865448
Energy: 1.2448502421900511
Energy: 1.1162744607952477
Energy: 1.1123430681273925
Energy: 1.1323593881388008
Energy: 0.8298742343930952
Energy: 1.1073275488175534
Energy: 0.891230763249741
Energy: 0.8400682032835267
Energy: 0.8472853364171011
Energy: 0.8698846209021339
Energy: 0.8368496009776553
Energy: 0.83927103034756
Energy: 0.7836451397682446
Energy: 1.0324395227079124
Energy: 1.0346029102886896
Energy: 1.0367817922152527
Energy: 0.9848824209069013
Energy: 1.0396602812484377
Energy: 0.7896053928592103
Energy: 1.0394129941788781
Energy: 1.0231276957354658
Energy: 0.7910344687699912
Energy: 1.0372770769759336
Energy: 0.7394800048930765
Energy: 0.8158287988346783
Energy: 1.0353960473637145
Energy: 1.024987547278992
Energy: 0.8174330782823306
Energy: 0.996653661864348
Energy: 0.7413150869789301
Energy: 1.1620719008911709
Energy: 0.954592207840995
Energy: 0.9821239451993703
Energy: 1.150025751769048
Energy: 0.8325235104145217
Energy: 0.9831676853047935
Energy: 0.9096351139373899
Energy: 0.742168539561129
Energy: 0.7484698925687693
Energy: 0.9004821804308765
Energy: 0.7372857872999972
Energy: 0.7468920469526998
Energy: 1.2594695610469167
Energy: 0.9974383303742638
Energy: 0.9977962916261949
Energy: 1.0796584257457182
Energy: 0.7462715963237495
Energy: 0.9955848440715281
Energy: 0.8855270018630296
Energy: 0.9938459603146004
Energy: 0.8774781735041899
Energy: 0.8871920861781425
Energy: 0.9956899342271072
Energy: 0.8819854698780109
Energy: 0.8707696721893823
Energy: 1.0970737810519653
Energy: 1.0821361919841292
Energy: 0.8698533361457162
Energy: 0.9500800151660321
Energy: 0.9451392146684752
Energy: 1.4312005343146241
Energy: 1.0983382963154233
Energy: 1.1035275698542966
Energy: 1.3274282953972745
Energy: 1.0927331349858977
Energy: 1.1069228217166416
Energy: 0.8722524837655456
Energy: 1.0449794434609938
Energy: 1.0519128407626204
Energy: 0.8751846347658935
Energy: 0.9818652868710226
Energy: 1.1087235449556327
Energy: 1.2113626076584076
Energy: 1.2149749507849024
Energy: 1.2121839329722492
Energy: 1.176928893830095
Energy: 1.158364923069208
Energy: 1.1848451828132267
Energy: 1.2306833640115742
Energy: 1.1544485072748
Energy: 1.201110503753093
Energy: 1.2316862094360816
Energy: 1.1582431262838377
Energy: 1.1148854467934342
Energy: 1.1932775820940196
Energy: 0.9885674838058426
Energy: 0.9794026186261924
Energy: 1.0522704080169873
Energy: 0.9830821309756175
Energy: 0.9819321850344424

minimum gb energy = 0.7372857872999972 eV
minimum distance =  2.49728036851989 Angstroms
sigma value = 33


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

Energy: 1.6958415618514615
Energy: 1.3626923407765563
Energy: 1.3562226166082794
Energy: 1.6987006432487652
Energy: 1.4129741863569973
Energy: 1.2290138445309928
Energy: 1.104920209686795
Energy: 1.1572042736640504
Energy: 1.1958244689010156
Energy: 1.2220943380300402
Energy: 1.183724591706747
Energy: 1.247787926367653
Energy: 1.3040143733702754
Energy: 1.3478701994312097
Energy: 1.37123855100673
Energy: 1.3266665663054726
Energy: 1.3496273653531077
Energy: 1.2650338345277965
Energy: 1.2197965403766566
Energy: 1.3891361730258542
Energy: 1.3866084881129888
Energy: 1.22355705234107
Energy: 1.026479628770569
Energy: 1.3711470907342038
Energy: 0.9834128859239544
Energy: 1.1540384376874957
Energy: 1.2043629587485554
Energy: 0.9830980061215585
Energy: 1.179207524039786
Energy: 1.2396929743413383
Energy: 1.526109857170611
Energy: 1.211363513734942
Energy: 1.2409785495282741
Energy: 1.400389454439022
Energy: 1.2115225843579949
Energy: 1.1622146572156125
Energy: 0.9837176989727248
Energy: 1.009538272076981
Energy: 1.2750469302253016
Energy: 0.982793917717913
Energy: 0.8727814099274807
Energy: 1.085171691655783
Energy: 0.9842334331294823
Energy: 1.163412630881301
Energy: 1.0573980302672237
Energy: 0.9847197804217702
Energy: 1.1617480255154047
Energy: 0.9799579548809766
Energy: 1.1323742226913411
Energy: 1.1500190473165637
Energy: 1.1584110947675632
Energy: 1.1695906082629481
Energy: 0.8712509772165562
Energy: 1.165035053863028
Energy: 1.0289318885246286
Energy: 0.8179765447451492
Energy: 0.7981877576892731
Energy: 1.0329992709135718
Energy: 0.8115641493981633
Energy: 0.9094265412222996
Energy: 0.8946925003395525
Energy: 0.9457102114339797
Energy: 1.0644866709405685
Energy: 1.0776783643451777
Energy: 0.9639566135477043
Energy: 1.0657954066236868
Energy: 0.8212210472534415
Energy: 1.121691815132611
Energy: 1.1168437339716628
Energy: 0.8229110395849915
Energy: 1.1509175111724368
Energy: 0.8141779902149993
Energy: 0.8253279207540041
Energy: 1.178679689175187
Energy: 1.1421636448136747
Energy: 0.825337370146855
Energy: 1.0515879145839688
Energy: 0.8252206872563136
Energy: 1.1748660324535007
Energy: 1.1019473215057354
Energy: 1.1086286276981945
Energy: 1.129460379353771
Energy: 1.0394657104403735
Energy: 1.108143115498591
Energy: 1.0117956954683267
Energy: 0.9194353002336192
Energy: 0.9192802120742903
Energy: 1.0157044732928733
Energy: 0.9233888017117573
Energy: 1.0114267089726487
Energy: 1.0602188127228827
Energy: 1.2685002043126767
Energy: 1.2989026023297252
Energy: 1.0627485893254738
Energy: 0.9486164953992468
Energy: 1.0525902696272438
Energy: 1.303794044758355
Energy: 1.2149428287049615
Energy: 1.2425621229187638
Energy: 1.3278063846410253
Energy: 1.2128009969155584
Energy: 1.1685729517416539
Energy: 1.2259628968074705
Energy: 0.9408144380207403
Energy: 0.9273734155191424
Energy: 1.2265760998370954
Energy: 0.9541797233104139
Energy: 1.216494926621494
Energy: 1.6911097477416823
Energy: 1.1708599803473987
Energy: 1.3816945644185197
Energy: 1.5167860275836864
Energy: 1.1706214169097653
Energy: 1.2288267158963733
Energy: 1.1046483353996215
Energy: 1.1560973057275687
Energy: 1.20841560082186
Energy: 1.1051607031475057
Energy: 1.1841747452877562
Energy: 1.192311261033025
Energy: 1.2389671859418372
Energy: 1.3479920743962142
Energy: 1.3729573417205554
Energy: 1.3014297362239284
Energy: 1.3703992406354484
Energy: 1.2672940853161025
Energy: 1.2227442190416102
Energy: 1.386345319363134
Energy: 1.374514194516571
Energy: 1.224835036727522
Energy: 1.3869898804664897
Energy: 1.3983087369736404
Energy: 0.9832361253887271
Energy: 1.153613403080388
Energy: 1.2476370831200099
Energy: 0.9836919140243936
Energy: 1.2247780738821916
Energy: 1.238676401865873
Energy: 1.5233546606657675
Energy: 1.2112150685647138
Energy: 1.2409486733192583
Energy: 1.525452197610508
Energy: 1.2109771458337304
Energy: 1.1654096882441154
Energy: 0.983043705720766
Energy: 1.008164395886571
Energy: 1.2686111743521353
Energy: 0.9834225845852627
Energy: 1.017089151503522
Energy: 1.182654799586874
Energy: 0.9811773523318148
Energy: 1.1531442688317952
Energy: 1.0543275315704168
Energy: 0.9837100699075819
Energy: 1.1620094501012852
Energy: 0.9802514294831581
Energy: 1.1331680330930733
Energy: 1.1830333606606405
Energy: 1.1805464480578145
Energy: 1.0962520583987885
Energy: 0.8722563245075957
Energy: 1.1648310867490363
Energy: 1.0591825999318216
Energy: 0.8085130545423583
Energy: 0.8083648227128739
Energy: 1.021427927861741
Energy: 0.8121168328476105
Energy: 0.8687703946963115
Energy: 1.2706865849269802
Energy: 0.8993402713356637
Energy: 1.0688613819368555
Energy: 1.076570768359441
Energy: 0.8974776149467779
Energy: 1.0694330724475598
Energy: 0.814072406426349
Energy: 1.1331921520308026
Energy: 1.129332847204476
Energy: 0.8135449844306608
Energy: 1.170792957405521
Energy: 0.8136947351414308
Energy: 0.829127490186651
Energy: 1.1406461782532777
Energy: 0.7973672853271337
Energy: 0.8312567662120148
Energy: 1.0037617730635418
Energy: 0.8007660675053588
Energy: 0.9942778582263405
Energy: 1.1002002889381646
Energy: 1.1061601359901336
Energy: 1.0851625757924805
Energy: 1.0396201880618003
Energy: 1.099200937791197
Energy: 1.062845360760214
Energy: 0.9248683877020587
Energy: 0.9197452335629309
Energy: 1.020177647890793
Energy: 0.9282608035687275
Energy: 1.011333047261604
Energy: 1.0592982251064402
Energy: 1.1048993655952046
Energy: 1.0446442176390571
Energy: 1.0607719941989238
Energy: 0.9485304039730599
Energy: 1.000965780601596
Energy: 1.1665501038110877
Energy: 1.262336067837805
Energy: 1.2420836351749054
Energy: 1.2841983631287706
Energy: 1.3255684730109214
Energy: 1.1683646245485546
Energy: 1.2214075774558424
Energy: 0.9409460243439316
Energy: 1.2789915742455007
Energy: 1.2233265259377832
Energy: 1.2330131215475708
Energy: 1.2401880583167346
Energy: 1.134871664656104
Energy: 1.1715512771748764
Energy: 1.3846005029759492
Energy: 1.318994880076016
Energy: 1.171319787548156
Energy: 1.2285789579939177

minimum gb energy = 0.7973672853271337 eV
minimum distance =  2.52482682192323 Angstroms
sigma value = 41


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

Energy: 1.5795773160470858
Energy: 1.4679141663101085
Energy: 1.4732565722785227
Energy: 1.5806618998223694
Energy: 1.7465239164342499
Energy: 1.5706059238480146
Energy: 1.16834648460146
Energy: 1.2018618191684822
Energy: 1.1684038041748515
Energy: 1.2803226772107386
Energy: 1.2335815686536162
Energy: 1.2641865802353296
Energy: 1.0328321312652466
Energy: 1.4029614911785486
Energy: 1.39689921865319
Energy: 1.032923165425384
Energy: 1.3761403467373634
Energy: 1.211087527448764
Energy: 1.1920758704669012
Energy: 1.3354524728934372
Energy: 1.3354457741723056
Energy: 1.109220624020489
Energy: 1.260169241552053
Energy: 1.1699808172939095
Energy: 1.019378205737578
Energy: 1.2033723181061367
Energy: 1.1659031685789663
Energy: 1.0189827985136586
Energy: 1.1989300280339135
Energy: 1.2780220413828192
Energy: 1.4972476067505216
Energy: 1.2616720916060449
Energy: 1.3557627644537389
Energy: 1.3850108071045448
Energy: 1.266066933692532
Energy: 1.3265708202240465
Energy: 1.0193448251078565
Energy: 1.202634696623708
Energy: 1.2355629557076884
Energy: 1.0193031228775147
Energy: 1.200025198826703
Energy: 1.0079078110014075
Energy: 0.9250740481480371
Energy: 1.227552683018342
Energy: 1.1513227171861693
Energy: 0.9274488959973731
Energy: 1.3520691042424506
Energy: 0.9967474544153317
Energy: 1.2716326125213997
Energy: 1.1443108391414847
Energy: 1.1419038077524788
Energy: 1.1430786606027568
Energy: 0.9779878815647118
Energy: 1.1479277989364651
Energy: 1.0306872756410306
Energy: 0.9190087821614334
Energy: 0.9097999588519156
Energy: 1.0259422752182306
Energy: 0.912187782356216
Energy: 1.0241389666132252
Energy: 1.2619516706596074
Energy: 1.039652662940887
Energy: 1.2345616734692624
Energy: 1.155845838963365
Energy: 0.8630871263292318
Energy: 1.260920077613652
Energy: 1.0310947995842332
Energy: 1.250970939266614
Energy: 1.2096356374483472
Energy: 1.0321790831335504
Energy: 1.3582000067923274
Energy: 1.064086374259349
Energy: 1.2731285503693126
Energy: 1.1077755212295268
Energy: 1.2069442153531433
Energy: 1.2023159009000064
Energy: 1.1443924456639487
Energy: 1.2509908008008797
Energy: 1.7003970060067972
Energy: 1.2158317278721216
Energy: 1.498261662755529
Energy: 1.4975650864490584
Energy: 1.221201144506852
Energy: 1.4998374380248853

minimum gb energy = 0.8630871263292318 eV
minimum distance =  2.52908509906193 Angstroms
sigma value = 11


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

Energy: 1.9701644914813834
Energy: 1.7365077934443471
Energy: 1.5805091054776774
Energy: 1.9070677790698287
Energy: 1.8690390370645569
Energy: 1.515957824257616
Energy: 1.2752843201519275
Energy: 1.0516795526408285
Energy: 1.0403765107311098
Energy: 1.3130228679520093
Energy: 1.076550078518218
Energy: 1.444970322152674
Energy: 1.5704697323733012
Energy: 1.469461495057136
Energy: 1.4619478552693284
Energy: 1.5647084722290796
Energy: 1.4872511186303734
Energy: 1.5566656668142969
Energy: 1.3607946088637932
Energy: 1.3330821400270048
Energy: 1.2630898018732173
Energy: 1.3629052514250208
Energy: 1.1251181097999359
Energy: 1.2429371050556832
Energy: 1.2061400091147876
Energy: 1.046944350739295
Energy: 1.0870997812368208
Energy: 1.1776107671994405
Energy: 1.0555741835315842
Energy: 1.0807148900910017
Energy: 1.3727713183558552
Energy: 1.0309479376301118
Energy: 1.1899079999959559
Energy: 1.3409254599973195
Energy: 1.0310559993250168
Energy: 1.219588196910468
Energy: 1.030429852646506
Energy: 1.2043199889641023
Energy: 1.2120222186704834
Energy: 1.030366853668993
Energy: 1.2641936858048428
Energy: 1.180036968998258
Energy: 1.0663874207831603
Energy: 1.250656641543042
Energy: 1.1237819502968842
Energy: 1.0685781948769795
Energy: 1.1877184956249136
Energy: 1.11968443469693
Energy: 1.3516015749479064
Energy: 1.3327977863744291
Energy: 1.4087025250582181
Energy: 1.2952296629521887
Energy: 1.346929454820306
Energy: 1.5555572045224175
Energy: 1.1686930499092065
Energy: 1.481601347830441
Energy: 1.4482065854038775
Energy: 1.1165457806288375
Energy: 1.495217972630382
Energy: 1.5654880418926034
Energy: 1.1726532020479765
Energy: 1.2786567119870476
Energy: 1.1983782850454048
Energy: 1.1746086864628167
Energy: 1.3096559767391533
Energy: 1.1651075187993873
Energy: 1.4204721528818023
Energy: 1.5898267132790396
Energy: 1.5690853028924048
Energy: 1.4203121548854807
Energy: 1.7050628139540676
Energy: 1.556792532140171
Energy: 1.1412397054733046
Energy: 1.3493080160354904
Energy: 1.3546193743915624
Energy: 1.1419701367312034
Energy: 1.4064883797387324
Energy: 1.2963703819908698
Energy: 1.5491324028367421
Energy: 1.4102353582407376
Energy: 1.414668428413259
Energy: 1.4910504876768864
Energy: 1.40792250575948
Energy: 1.4444774999246128
Energy: 0.9937633577496141
Energy: 1.31446928006577
Energy: 1.3031454004308103
Energy: 0.993840159035443
Energy: 1.3703602061637838
Energy: 1.2468921660097319
Energy: 0.9826403260114557
Energy: 1.229716381518359
Energy: 1.1659867472361005
Energy: 0.9845706519956162
Energy: 1.1973207945546323
Energy: 0.963834653333708
Energy: 0.9780209810934264
Energy: 1.2551107295157395
Energy: 1.2126427016993604
Energy: 0.9779781970723691
Energy: 1.2796881934844928
Energy: 1.1532177193690802
Energy: 1.4313070400775962
Energy: 1.1971783042934963
Energy: 1.2118416814109145
Energy: 1.4364859199808115
Energy: 1.200504442077403
Energy: 1.13161988774207
Energy: 1.1399034654446216
Energy: 1.181562716572968
Energy: 1.1810709285538883
Energy: 1.1054303202269962
Energy: 1.2041633326034362
Energy: 1.1861851113764397
Energy: 1.47022665000918
Energy: 1.5443148880394033
Energy: 1.522031529292891
Energy: 1.4726224441567632
Energy: 1.5298479441325836
Energy: 1.596657448297239
Energy: 1.2583593239201216
Energy: 1.3507073142975814
Energy: 1.288237510113055
Energy: 1.2822502402376816
Energy: 1.1792476691885199
Energy: 1.2145327896073355
Energy: 1.2157424232117213
Energy: 1.1962919267292424
Energy: 1.1597369466879806
Energy: 1.2259831476686474
Energy: 1.1924601478067
Energy: 1.1611857700462243
Energy: 1.6769944669581114
Energy: 1.2842640124409135
Energy: 1.5724425864671596
Energy: 1.7453201375440512
Energy: 1.3178134972244697
Energy: 1.6062591124144605
Energy: 1.1925016331677813
Energy: 1.1597779605384275
Energy: 1.1546232467982165
Energy: 1.194872809669727
Energy: 1.1248870893020841
Energy: 1.1988323117189263
Energy: 1.1954601662294138
Energy: 1.2011429576266701
Energy: 1.275511069686465
Energy: 1.1981284893176463
Energy: 1.3445241885975334
Energy: 1.1958837893786696
Energy: 1.219499783340968
Energy: 1.136076474945085
Energy: 1.1704832948028254
Energy: 1.2940696314794735
Energy: 0.9770691680544995
Energy: 1.1980085076272606
Energy: 1.1896624820289805
Energy: 0.9638399675012014
Energy: 0.963160116035024
Energy: 1.1980727835963676
Energy: 0.9654227287920911
Energy: 0.9924989268955017
Energy: 1.3606283142004678
Energy: 1.0350595623203447
Energy: 1.228305395391678
Energy: 1.362559612657488
Energy: 1.0317770670459134
Energy: 1.245109090913755
Energy: 1.4038501116822355
Energy: 1.3334208481460779
Energy: 1.3331280472366527
Energy: 1.4064807145463802
Energy: 1.3770163562731694
Energy: 1.3286685700260676
Energy: 1.3286427043628095
Energy: 1.0690859715054097
Energy: 1.0951547852933188
Energy: 1.3313501475484915
Energy: 1.0660086208737707
Energy: 1.2431081038330105
Energy: 1.9628846009289584
Energy: 1.5641443737959968
Energy: 1.6170277028657625
Energy: 1.8289421275738396
Energy: 1.563744942405661
Energy: 1.63733092528449

minimum gb energy = 0.963160116035024 eV
minimum distance =  2.50023602038187 Angstroms
sigma value = 57


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

Energy: 1.6155786804001113
Energy: 1.2938914574475737
Energy: 1.291636852428212
Energy: 1.6173632429133298
Energy: 1.6734873658725031
Energy: 1.3674545204782396
Energy: 0.9049076983825985
Energy: 1.1118902945522042
Energy: 1.028387897063997
Energy: 1.1098358922806983
Energy: 1.1126931053931068
Energy: 1.1131843371727923
Energy: 1.5654340972809622
Energy: 1.3986554014457024
Energy: 1.4104979496826238
Energy: 1.567193097533418
Energy: 1.0006289019573695
Energy: 1.5425282993681764
Energy: 1.1091557411470847
Energy: 1.2180471568024105
Energy: 1.1129480765766715
Energy: 1.1115212079377799
Energy: 1.6409974122684796
Energy: 0.9373367822892789
Energy: 1.0484284433451532
Energy: 1.1997850109083774
Energy: 1.1380928116275681
Energy: 1.0495289639699528
Energy: 1.1948462999197609
Energy: 1.1678733003364552
Energy: 1.3985461866767899
Energy: 1.1056708903988226
Energy: 1.1427764682927786
Energy: 1.3001944990402698
Energy: 1.1041641353021252
Energy: 1.2377224365883601
Energy: 1.1046694984679541
Energy: 1.084065052826751
Energy: 1.1053411306850998
Energy: 1.106715384751331
Energy: 1.1057617152579544
Energy: 1.2344219746328131
Energy: 1.1095185958402587
Energy: 1.2754270005616446
Energy: 1.0222179641214895
Energy: 1.1117339810092703
Energy: 1.0056691454232998
Energy: 1.1116683852264129
Energy: 0.9048383505608666
Energy: 1.1141153800826136
Energy: 1.3520493996678793
Energy: 1.18640259235173
Energy: 1.0965399716491928
Energy: 1.4007963550626001
Energy: 0.9041913853400725
Energy: 1.1989665458727496
Energy: 1.3532316455762885
Energy: 1.186545948323998
Energy: 1.1228865328928352
Energy: 1.4014235434578652
Energy: 1.1103509828294833
Energy: 1.2224275149375756
Energy: 1.198217224479624
Energy: 1.1123613736742497
Energy: 1.1109155535609445
Energy: 1.1111522590570142
Energy: 1.525455860844172
Energy: 1.3633686601972463
Energy: 1.3927524306846695
Energy: 1.5258994044903542
Energy: 1.3872202207948385
Energy: 1.5538955718556824
Energy: 1.0453195616334214
Energy: 1.0262849740839184
Energy: 1.02791054384738
Energy: 1.0473996118059388
Energy: 1.1149876183196017
Energy: 1.1099381730226006
Energy: 1.395565297942847
Energy: 1.1056989117185236
Energy: 1.105563147527156
Energy: 1.397596962108452
Energy: 1.1103933624328652
Energy: 1.1359963653777945
Energy: 1.1043352347550328
Energy: 1.1857460474905495
Energy: 1.028387800772742
Energy: 1.1044859314687792
Energy: 1.1891775616268023
Energy: 1.0278285944685586
Energy: 1.1074074293395761
Energy: 1.0827889453808524
Energy: 1.1210756116983713
Energy: 1.1077451754506238
Energy: 1.1054524279268958
Energy: 1.129589600110569
Energy: 0.9044347977571491
Energy: 1.0259538557884447
Energy: 1.0276348046069321
Energy: 0.9049584305160593
Energy: 1.0487813835757918
Energy: 1.0296498575840967

minimum gb energy = 0.9041913853400725 eV
minimum distance =  2.52872982720065 Angstroms
sigma value = 9


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

Energy: 1.9258293133197182
Energy: 1.6267113058132283
Energy: 1.4345406539641623
Energy: 1.7869149709975665
Energy: 1.9126024771572634
Energy: 1.564606503438859
Energy: 1.205922946673008
Energy: 1.2921565049352919
Energy: 1.2904524184568442
Energy: 1.4053603264358305
Energy: 1.2840243113568564
Energy: 1.3048382741711644
Energy: 1.2655739331771614
Energy: 1.2617704747881853
Energy: 1.4691710870888786
Energy: 1.2234115340194067
Energy: 1.261185359827152
Energy: 1.4444903817287353
Energy: 1.3362578457534287
Energy: 1.2462640211320168
Energy: 1.2417985394060387
Energy: 1.34818664142505
Energy: 1.1225901923624757
Energy: 1.2685856648270561
Energy: 1.1599933319841125
Energy: 1.0857109776087839
Energy: 1.108413632584684
Energy: 1.1596063721889431
Energy: 1.0818992886634435
Energy: 1.1219878483439292
Energy: 1.2994375617413247
Energy: 1.124089225282484
Energy: 1.0627787135002278
Energy: 1.2625398140460675
Energy: 1.1556751776746534
Energy: 1.0620881742091335
Energy: 1.6346194335598672
Energy: 1.4195340683820625
Energy: 1.6038961591427081
Energy: 1.636068484582642
Energy: 1.4280000277224325
Energy: 1.5792604359731883
Energy: 1.3002315225176508
Energy: 1.1893009266270331
Energy: 1.1087756421545036
Energy: 1.3012925890035132
Energy: 1.2404100077452387
Energy: 1.1286781244916857
Energy: 1.6366491400475582
Energy: 1.3189130742941182
Energy: 1.2238601818282548
Energy: 1.6582801866222099
Energy: 1.322759018269171
Energy: 1.408582176902891
Energy: 1.269695990574762
Energy: 1.1769686565223956
Energy: 1.2218538066050917
Energy: 1.2680082636624441
Energy: 1.183759624307479
Energy: 1.224682511340934
Energy: 1.1721584996841092
Energy: 1.1901325715083941
Energy: 1.136327345001055
Energy: 1.1716773554980848
Energy: 1.2571994329318856
Energy: 1.1145042633085709
Energy: 1.1113793133715049
Energy: 1.1533865824876453
Energy: 1.1357967782395164
Energy: 1.1241020485343325
Energy: 1.1440968535654084
Energy: 1.1352604399140023
Energy: 1.4859202428693303
Energy: 1.382263039060796
Energy: 1.42827354680511
Energy: 1.3650088547178216
Energy: 1.3512181663847087
Energy: 1.3020464729477481
Energy: 1.4603080481136599
Energy: 1.1505524701405283
Energy: 1.3181559624723926
Energy: 1.4635205524902186
Energy: 1.1691192579112495
Energy: 1.3363504734965441
Energy: 1.4132349590220845
Energy: 1.2193580450266848
Energy: 1.2048580318681148
Energy: 1.3185426375991307
Energy: 1.2165607157270915
Energy: 1.6137212029688033
Energy: 1.3785448890834446
Energy: 1.5307044379100674
Energy: 1.7062878410717441
Energy: 1.3793807599804502
Energy: 1.6195244503505668
Energy: 1.6215727927869046
Energy: 1.3281177109799867
Energy: 1.2980536301523349
Energy: 1.3444527911605082
Energy: 1.1853978412986397
Energy: 1.291532275325833
Energy: 1.3438178650615635
Energy: 1.301162348509158
Energy: 1.1784917743639909
Energy: 1.2128519457521234
Energy: 1.2656211576019514
Energy: 1.1715479196238443
Energy: 1.2219370111935879
Energy: 1.171338222836061
Energy: 1.2894248767505083
Energy: 1.2853476122348861
Energy: 1.1720635852262984
Energy: 1.2039169067662987
Energy: 1.2750940919862852
Energy: 1.1797926661055584
Energy: 1.2840438664124598
Energy: 1.2510965887796819
Energy: 1.174952434315294
Energy: 1.2876925858186394
Energy: 1.2208476848310437
Energy: 1.4815098726230838
Energy: 1.2906977194743776
Energy: 1.2901311253620757
Energy: 1.3093816363894792
Energy: 1.315482989668895
Energy: 1.2674041014838535

minimum gb energy = 1.0620881742091335 eV
minimum distance =  2.51193886199964 Angstroms
sigma value = 27


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

Energy: 1.0167853945670775
Energy: 1.0576749749617278
Energy: 1.0612784829647708
Energy: 1.0199480267393688
Energy: 1.629655559402822
Energy: 1.059807348554765
Energy: 1.344365414828052
Energy: 1.0502470038702094
Energy: 1.0509059243470158
Energy: 1.4778612376489764
Energy: 1.0255729324281175
Energy: 1.0666984487639446
Energy: 1.5106522208224524
Energy: 1.5510071307480673
Energy: 1.5487566836001323
Energy: 1.5125692746458506
Energy: 1.024221318103002
Energy: 1.491733368839949
Energy: 1.086353193181925
Energy: 1.1282601708828381
Energy: 1.0717513575939022
Energy: 1.0868314589395285
Energy: 1.0240901236827409
Energy: 1.072132405858219
Energy: 1.048220725618052
Energy: 1.0265351401736884
Energy: 1.0782366548699611
Energy: 1.0514807409273226
Energy: 1.0321590424428386
Energy: 1.0639381471625264
Energy: 1.0861737647667629
Energy: 1.0595498472055154
Energy: 1.0657560406842232
Energy: 1.0883336612745624
Energy: 1.1928270433297716
Energy: 1.0650831879974276
Energy: 1.027484439636202
Energy: 1.0445456373986208
Energy: 1.0549601452526192
Energy: 1.0296621113120967
Energy: 1.0261300572417982
Energy: 1.0613065851724284
Energy: 1.0273022140000594
Energy: 1.0913781266135771
Energy: 1.0737734586399303
Energy: 1.025907566480569
Energy: 1.1073609154424464
Energy: 1.051049382604389
Energy: 1.1687391419581814
Energy: 1.0464370513890697
Energy: 1.0621963691214638
Energy: 1.5492334281262359
Energy: 1.5120185379106947
Energy: 1.5475237363982244
Energy: 1.025171255733631
Energy: 1.0890684657239518
Energy: 1.5475110983637783
Energy: 1.0255534216018007
Energy: 1.5567785047110152
Energy: 1.5473838405491354
Energy: 1.0360538945660267
Energy: 1.0653581703887551
Energy: 1.0689302314348101
Energy: 1.0250643399652508
Energy: 1.051244487905392
Energy: 1.0692687221950201
Energy: 1.1866072498468816
Energy: 1.1032293803448725
Energy: 1.0687818737919275
Energy: 1.1887734522219164
Energy: 1.0886796138494035
Energy: 1.0682365307768429
Energy: 1.0281376001857807
Energy: 1.0520337851605608
Energy: 1.0640350617759171
Energy: 1.019278642446281
Energy: 1.0313580758472565
Energy: 1.0558945246163838
Energy: 1.2050080711829272
Energy: 1.026560269760993
Energy: 1.0278859054632905
Energy: 1.1998283181031162
Energy: 1.0257500678567526
Energy: 1.0548001418311856
Energy: 1.5105665742139633
Energy: 1.5504359681250837
Energy: 1.54918315328273
Energy: 1.5125256524723376
Energy: 1.5545925016803102
Energy: 1.547944686054669
Energy: 1.5533426255871212
Energy: 1.5497413570414498
Energy: 1.5511941942909038
Energy: 1.5556241438234246
Energy: 1.5490338474957366
Energy: 1.548760257488045
Energy: 1.0508513020519359
Energy: 1.0265618032134927
Energy: 1.0708200708397484
Energy: 1.0527000747209478
Energy: 1.027471634047424
Energy: 1.0700947471015865
Energy: 1.0883988332247208
Energy: 1.0266826861569993
Energy: 1.126871764948793
Energy: 1.0901887108432489
Energy: 1.189380708398563
Energy: 1.125022574273136
Energy: 1.0630522295939313
Energy: 1.045377502210277
Energy: 1.0609846344416298
Energy: 1.033967701621735
Energy: 1.0218081093020428
Energy: 1.0610945686205122
Energy: 1.0273721148215198
Energy: 1.0457075458328418
Energy: 1.0617514817198341
Energy: 1.0288814625155287
Energy: 1.0209130799045327
Energy: 1.0613164651312046
Energy: 1.026231700304912
Energy: 1.061598096602377
Energy: 1.0682730189199356
Energy: 1.0253827580654813
Energy: 1.0462846599978333
Energy: 1.0720818470517943
Energy: 1.3695324562546647
Energy: 1.0474346592893038
Energy: 1.4899774997686204
Energy: 1.3713028601048773
Energy: 1.5170963466624692
Energy: 1.062513515291539
Energy: 1.0267233325682765
Energy: 1.0663243705181025
Energy: 1.0668330756685396
Energy: 1.025855389338794
Energy: 1.333572838152416
Energy: 1.066996159312208
Energy: 1.029311268601379
Energy: 1.0529585141586595
Energy: 1.0679980114503467
Energy: 1.031402165172116
Energy: 1.053565024338317
Energy: 1.0684273869504741
Energy: 1.198916076614889
Energy: 1.0301765638193978
Energy: 1.054740706784408
Energy: 1.2039317019228883
Energy: 1.0324763341356697
Energy: 1.0547300523194763

minimum gb energy = 1.0167853945670775 eV
minimum distance =  2.51614121921619 Angstroms
sigma value = 19


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

Energy: 1.8296610611256139
Energy: 1.4700862210318282
Energy: 1.3391601544157747
Energy: 1.5407233408612524
Energy: 1.3797816263375655
Energy: 1.421941143661058
Energy: 1.3012757457772706
Energy: 1.3864891922233027
Energy: 1.407503132250518
Energy: 1.371144888929306
Energy: 1.3920525740866165
Energy: 1.3777010390852442
Energy: 1.1759098378367887
Energy: 1.2220317609863185
Energy: 1.2276117091532954
Energy: 1.1727974123067113
Energy: 1.2135727896928006
Energy: 1.1997326895753289
Energy: 1.2302409041925204
Energy: 1.228612908961588
Energy: 1.1710255741635083
Energy: 1.2305361339032854
Energy: 1.2082372210070347
Energy: 1.2643389484014345
Energy: 1.1739145376865714
Energy: 1.1643266010321154
Energy: 1.1807529889280737
Energy: 1.1217218073984292
Energy: 1.1698466319606455
Energy: 1.240730039883181
Energy: 1.4379855545922229
Energy: 1.4657734902402606
Energy: 1.4118640011983814
Energy: 1.3443265244399374
Energy: 1.3450597911982562
Energy: 1.4320078475182891
Energy: 1.453243420481622
Energy: 1.4172833931339948
Energy: 1.5678431267383797
Energy: 1.445316479956395
Energy: 1.4173733695229787
Energy: 1.5064059179083586
Energy: 1.3955977133257464
Energy: 1.3463258121181938
Energy: 1.3429264163110097
Energy: 1.411684273108958
Energy: 1.3487825350302647
Energy: 1.3505099275663508
Energy: 1.1547456417597883
Energy: 1.1102067215225742
Energy: 1.1590246066626166
Energy: 1.1559964111225969
Energy: 1.1106201958891273
Energy: 1.206117594277784
Energy: 1.270230437399443
Energy: 1.1626092909225425
Energy: 1.192557959999816
Energy: 1.3012347422464616
Energy: 1.152903361551076
Energy: 1.166147457585264
Energy: 1.2949197904181116
Energy: 1.2839679919794018
Energy: 1.273063349231282
Energy: 1.1819838874608184
Energy: 1.2789264066211075
Energy: 1.2768239191094046
Energy: 1.2332907909435464
Energy: 1.282809562360456
Energy: 1.2982894683415624
Energy: 1.2103525503008044
Energy: 1.3200902436857882
Energy: 1.2997798105022838
Energy: 1.5763771090409635
Energy: 1.1917775887349717
Energy: 1.2258975464200326
Energy: 1.4376818676038408
Energy: 1.1907208825263649
Energy: 1.299084142530238
Energy: 1.197041169284336
Energy: 1.3587582105083742
Energy: 1.3488846133785235
Energy: 1.2524620114227334
Energy: 1.252556485811428
Energy: 1.3413626147573474
Energy: 1.0720161298934154
Energy: 1.1100430067693399
Energy: 1.1887699933627363
Energy: 1.0628014567772515
Energy: 1.1325687540468787
Energy: 1.1545534791157186
Energy: 1.1478621676647178
Energy: 1.2129674856077461
Energy: 1.1567549344660746
Energy: 1.148051321092713
Energy: 1.2091109052259184
Energy: 1.194000908805703
Energy: 1.4003072457659391
Energy: 1.1468948944801773
Energy: 1.2100309921485322
Energy: 1.3379684700741437
Energy: 1.1939914174270683
Energy: 1.1983240242779318
Energy: 1.4148078835358726
Energy: 1.2321913648964111
Energy: 1.2909241395481954
Energy: 1.4167020825387653
Energy: 1.1688130183529688
Energy: 1.2958415699082004
Energy: 1.3174205631689357
Energy: 1.440946063422127
Energy: 1.4097014038144189
Energy: 1.228861609673808
Energy: 1.4494949994485893
Energy: 1.3427800956320957
Energy: 1.3345951855932054
Energy: 1.4745399890425732
Energy: 1.4400515739990432
Energy: 1.2724217420429698
Energy: 1.5163652691024156
Energy: 1.3398541847406098
Energy: 1.128963575510966
Energy: 1.0638023540983683
Energy: 1.1560500573123291
Energy: 1.1296505778851542
Energy: 1.0630657067995573
Energy: 1.1470263844332282
Energy: 1.2319526122068825
Energy: 1.1061703180226972
Energy: 1.1543540042906095
Energy: 1.2313156760970403
Energy: 1.105297398341552
Energy: 1.1575383933341872
Energy: 1.3838200332104824
Energy: 1.4999126467484063
Energy: 1.4920556564132106
Energy: 1.2586820908873013
Energy: 1.5424656599917994
Energy: 1.40081305801627
Energy: 1.322012911801022
Energy: 1.6201569338848092
Energy: 1.4743380327267963
Energy: 1.2775478381985057
Energy: 1.5397319990777356
Energy: 1.47036723163592
Energy: 1.3600980367689663
Energy: 1.1728762891736402
Energy: 1.362818013446928
Energy: 1.3460447963973645
Energy: 1.1690654646780732
Energy: 1.2190153512445088
Energy: 1.3308144852333852
Energy: 1.180018603855051
Energy: 1.2566542317538665
Energy: 1.2597565559128934
Energy: 1.1794486844243086
Energy: 1.2526915153505915
Energy: 1.1190236617224805
Energy: 1.1510925203399132
Energy: 1.1552033775757051
Energy: 1.1191035780280167
Energy: 1.1207523413983453
Energy: 1.1820966982430996
Energy: 1.1182932895675979
Energy: 1.2419677155088795
Energy: 1.2578476219072863
Energy: 1.108857205327565
Energy: 1.1704406129379976
Energy: 1.2606152077708943
Energy: 1.4215246840953282
Energy: 1.3404684798886304
Energy: 1.4047089791869576
Energy: 1.5732821928411258
Energy: 1.337037387161661
Energy: 1.4045322111165084

minimum gb energy = 1.0628014567772515 eV
minimum distance =  2.50214108616607 Angstroms
sigma value = 101


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

Energy: 1.4834707158840093
Energy: 1.157708054027365
Energy: 1.1584064394199092
Energy: 1.3602485823995258
Energy: 1.7727942866579158
Energy: 1.3231440962433672
Energy: 1.2497545938931478
Energy: 1.4162309936808841
Energy: 1.4126401871808885
Energy: 1.4626828176933035
Energy: 1.4216422527513677
Energy: 1.4241087998919948
Energy: 1.1867537594050823
Energy: 1.2541662596581236
Energy: 1.2635977053097345
Energy: 1.186889883321708
Energy: 1.2547523055259178
Energy: 1.2553048373116469
Energy: 1.280888343079526
Energy: 1.20580057470971
Energy: 1.2128055862572547
Energy: 1.2829649043846145
Energy: 1.2804878378897446
Energy: 1.1625955908189471
Energy: 1.0903614984233403
Energy: 1.2155983524893141
Energy: 1.2091539265808953
Energy: 1.0944487842535506
Energy: 1.2067519845945667
Energy: 1.1918384439039487
Energy: 1.2770844264063914
Energy: 1.37353664677902
Energy: 1.2727390208858613
Energy: 1.239675478716851
Energy: 1.3643998920485325
Energy: 1.2748502880098356
Energy: 1.2712436561428668
Energy: 1.5744706236623978
Energy: 1.5364222058368149
Energy: 1.2714941221233487
Energy: 1.2729860810562008
Energy: 1.523448391400068
Energy: 1.4097484083407654
Energy: 1.3229620868736724
Energy: 1.371563842075275
Energy: 1.4116948292227427
Energy: 1.4066447268168054
Energy: 1.3446740822276713
Energy: 1.1628360235866018
Energy: 1.1042032030887945
Energy: 1.2010291511778284
Energy: 1.1637890174091285
Energy: 1.102906444780772
Energy: 1.1397850133214058
Energy: 1.2697896875062797
Energy: 1.2181906937319942
Energy: 1.1967297043031315
Energy: 1.2717988975969703
Energy: 1.177584142705908
Energy: 1.1680689678207037
Energy: 1.2360025332096924
Energy: 1.3609870316628476
Energy: 1.3555554016031617
Energy: 1.238095154235548
Energy: 1.3657539336331608
Energy: 1.3385416767546394
Energy: 1.2916575810725603
Energy: 1.3142742349845506
Energy: 1.163934440727352
Energy: 1.2932845153879966
Energy: 1.4624023526686807
Energy: 1.40032552487728
Energy: 1.3869950869182601
Energy: 1.1932481884062485
Energy: 1.1938945337026863
Energy: 1.3245390305897469
Energy: 1.189785037908432
Energy: 1.2947142914778822
Energy: 1.5296370264047754
Energy: 1.2876301329169462
Energy: 1.2653467976864257
Energy: 1.4617269784543596
Energy: 1.2966764546949616
Energy: 1.2650902613321406
Energy: 1.103350578512577
Energy: 1.0949806727692917
Energy: 1.142937395189184
Energy: 1.1053407730514786
Energy: 1.0903122926487505
Energy: 1.1454366455277694
Energy: 1.1301692472456792
Energy: 1.1166271092458606
Energy: 1.1355972192279953
Energy: 1.1311607357060678
Energy: 1.260766139988915
Energy: 1.3201242133916087
Energy: 1.579913655223493
Energy: 1.2142432633523563
Energy: 1.1764639596623976
Energy: 1.4697728080417678
Energy: 1.2131881427034605
Energy: 1.3460345876625799
Energy: 1.3197766554513755
Energy: 1.429679481814716
Energy: 1.4453236502774458
Energy: 1.3200561433019415
Energy: 1.4293101622197832
Energy: 1.3772834968466616
Energy: 1.2062219111455752
Energy: 1.2908130516979825
Energy: 1.2928067254466171
Energy: 1.2044215812884178
Energy: 1.2902659264742826
Energy: 1.2640332857289296
Energy: 1.220061240344273
Energy: 1.2727293803168755
Energy: 1.269738196079924
Energy: 1.2317667128367493
Energy: 1.3130151174985478
Energy: 1.2676036839752773
Energy: 1.1905633768694188
Energy: 1.2462869868778172
Energy: 1.3082563649774694
Energy: 1.0952688464852607
Energy: 1.2376161748205359
Energy: 1.2511289704909718
Energy: 1.1904787712100005
Energy: 1.3118752857052862
Energy: 1.2448144563958163
Energy: 1.2583788928561463
Energy: 1.3106733534336714
Energy: 1.2565119171469297
Energy: 1.3943870605761546
Energy: 1.6113091144399703
Energy: 1.5606143498397071
Energy: 1.3951601113271377
Energy: 1.5991993603982786
Energy: 1.519441332134982
Energy: 1.4631555685166988
Energy: 1.5747514384109453
Energy: 1.5791253849220872
Energy: 1.4014057969925358
Energy: 1.6113038249564868
Energy: 1.4471547325297534
Energy: 1.1623112084259783
Energy: 1.1035884886297744
Energy: 1.2399078080952701
Energy: 1.1631027630231445
Energy: 1.104516245842623
Energy: 1.2364424385531925
Energy: 1.066270302331989
Energy: 1.103545854700223
Energy: 1.1846366384569247
Energy: 1.1397452946625566
Energy: 1.1825810725915065
Energy: 1.1940329903630191
Energy: 1.2185847667857217
Energy: 1.4216816110329795
Energy: 1.3950231544522702
Energy: 1.2194481520203737
Energy: 1.4415198526757453
Energy: 1.3771791713941512
Energy: 1.2903556039288004
Energy: 1.3896281640402612
Energy: 1.3927477091181975
Energy: 1.2924630331864095
Energy: 1.3901158726903213
Energy: 1.4279849751352873
Energy: 1.4719325412095297
Energy: 1.1966162174390975
Energy: 1.3812217160275215
Energy: 1.473695923082421
Energy: 1.1882753954444538
Energy: 1.1788358404255204
Energy: 1.4554421437736658
Energy: 1.2613798090469295
Energy: 1.288714130408178
Energy: 1.4580239159417114
Energy: 1.2902961383459126
Energy: 1.2950579419118529
Energy: 1.1039577216193068
Energy: 1.1269051128965235
Energy: 1.1530115975808706
Energy: 1.1037063670720249
Energy: 1.0883675906815875
Energy: 1.1760334991588375
Energy: 1.1027579559295113
Energy: 1.1403447669272437
Energy: 1.1478643335512349
Energy: 1.10315840904761
Energy: 1.0968444143850595
Energy: 1.1605688297264098
Energy: 1.6618648118579988
Energy: 1.210506762377032
Energy: 1.169936454361029
Energy: 1.664021419021825
Energy: 1.2144592575705853
Energy: 1.1993348977174

minimum gb energy = 1.066270302331989 eV
minimum distance =  2.51257026977383 Angstroms
sigma value = 33


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

Energy: 0.021442187481765174
Energy: 0.022386429881469314
Energy: 0.022324857670236294
Energy: 0.024616515242649836
Energy: 0.5967212861026867
Energy: 0.022244976558861228
Energy: 0.023189488100576357
Energy: 0.14893978510961178
Energy: 0.1469579315835894
Energy: 0.14659643170185638
Energy: 0.14936501314555622
Energy: 0.14630067478574094
Energy: 1.1345463345938251
Energy: 0.5963768887007419
Energy: 0.5936976685885613
Energy: 1.1366391466994548
Energy: 0.5960208996366413
Energy: 0.5930523957213869
Energy: 0.686499795348105
Energy: 0.14893978510998945
Energy: 0.1469579315835894
Energy: 0.1465964317014787
Energy: 0.14936501314555622
Energy: 0.14630067478574094

minimum gb energy = 0.021442187481765174 eV
minimum distance =  2.73556188538491 Angstroms
sigma value = 1