Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5196183800697343
cohesive_energy=4.450347496491574
mass=58.6934
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=[1.8512349917553e-19, 2.7130137596512197e-19, 3.3901416704786395e-19, 3.97871727874488e-19, 4.49038840857912e-19, 4.92183855434898e-19, 5.282680775858459e-19, 5.58597281267466e-19, 5.8422569870492995e-19, 6.059592247451399e-19, 6.244323213351599e-19, 6.401737067642099e-19, 6.536255817832739e-19, 6.651580491948059e-19, 6.750627051461939e-19, 6.83555843483028e-19, 6.907848644556359e-19, 6.968555117218619e-19, 7.018543028199419e-19, 7.058821748778181e-19, 7.090096236673861e-19, 7.112270361288419e-19, 7.1253601443882e-19, 7.12963795600098e-19, 7.125087774360419e-19, 7.11036377109396e-19, 7.083927856632958e-19, 7.044065701979039e-19, 6.988742542807019e-19, 6.915603179464919e-19, 6.8218277810769e-19, 6.703939624347179e-19, 6.55751670176592e-19, 6.3768232209834e-19, 6.1541206688574e-19, 5.8789468319679e-19, 5.537522991262499e-19, 5.112064986103799e-19, 4.580270517746519e-19, 3.9143898868897797e-19, 3.07951166467872e-19, 2.02934896815708e-19, 6.984400644128879e-20, -1.0111625128968118e-19, -3.2419883971326597e-19, -6.194864020660019e-19]
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: 2.38418579101562e-07 eV

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

Energy: 0.01810591319599414
Energy: 0.5710957990436167
Energy: 0.01904831252279494
Energy: 0.018850382512169264
Energy: 0.5693961826208613
Energy: 0.01904566716292477
Energy: 0.5710957990432859
Energy: 0.15283256830568315
Energy: 0.1545733768984302
Energy: 0.15296228041356977
Energy: 0.1526418368365178
Energy: 0.15429033193564895
Energy: 0.019048312523750693
Energy: 0.1545733768984302
Energy: 0.15397745591145146
Energy: 0.019068707219032664
Energy: 0.15255502184159098
Energy: 0.15360357538000025
Energy: 0.018850382511875187
Energy: 0.15296228041356977
Energy: 0.019068707219032664
Energy: 0.0190429824683365
Energy: 0.1526697198135375
Energy: 0.01909386169590082
Energy: 0.5693961826195748
Energy: 0.1526418368365178
Energy: 0.15255502184225267
Energy: 0.1526697198135375
Energy: 0.1526822263805526
Energy: 0.152523775310095
Energy: 0.01904566716292477
Energy: 0.15429033193564895
Energy: 0.15360357538000025
Energy: 0.01909386169751824
Energy: 0.15252377530976416
Energy: 0.01911705313972832

minimum gb energy = 0.01810591319599414 eV
minimum distance =  2.484978713025 Angstroms
sigma value = 1


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

Energy: 1.6157594313757537
Energy: 1.0660717123803904
Energy: 1.1088232278167334
Energy: 1.0606137031425633
Energy: 1.0645179965148222
Energy: 1.1085489440797078
Energy: 1.4893690184628656
Energy: 1.0383734721156979
Energy: 1.0172389961239185
Energy: 1.075101301854321
Energy: 1.0613572331172314
Energy: 1.077769694370529
Energy: 1.088263932577164
Energy: 1.0369035315646495
Energy: 1.0235533039863935
Energy: 1.057079510642178
Energy: 1.0655209593614856
Energy: 1.0491967383898522
Energy: 1.6312146485145527
Energy: 1.0467068441917
Energy: 1.0242983842114257
Energy: 1.048698216502246
Energy: 1.0468467527906398
Energy: 1.0481585618705083
Energy: 1.498894888282998
Energy: 1.0789259384760894
Energy: 1.0796655833752054
Energy: 1.077163293218247
Energy: 1.0650284183737189
Energy: 1.0811977063677956
Energy: 1.478002018234959
Energy: 1.079798454397029
Energy: 1.0799688330953747
Energy: 1.0637680913468275
Energy: 1.0929048372663341
Energy: 1.0795952808283888
Energy: 1.4794711024581566
Energy: 1.0802482061486771
Energy: 1.0806914187802463
Energy: 1.0653902100724593
Energy: 1.0671882910644475
Energy: 1.0801024891719404
Energy: 1.4600758782827903
Energy: 1.0851772760449474
Energy: 1.0860505530225208
Energy: 1.0453994933608584
Energy: 1.0635274525693847
Energy: 1.0791363289873974
Energy: 1.1977088180426951
Energy: 1.0647799244094633
Energy: 1.0668117919977516
Energy: 1.0922463929336044
Energy: 1.0539750490415074
Energy: 1.0784101079340331
Energy: 1.1976198602191164
Energy: 1.0988177726848247
Energy: 1.096805127672437
Energy: 1.05447697880871
Energy: 1.0783257876428622
Energy: 1.0614475996314334
Energy: 1.216157183693835
Energy: 1.0596786901753776
Energy: 1.0099562786817644
Energy: 1.1030869802581773
Energy: 1.059360516549651
Energy: 1.0320293729896688
Energy: 1.0960005317402886
Energy: 1.046523454906184
Energy: 1.0488880209656035
Energy: 1.0600643021381444
Energy: 1.0621223582296615
Energy: 1.0490663340697635
Energy: 1.0961302264801376
Energy: 1.063315241806936
Energy: 1.0636532816075992
Energy: 1.0794216274127573
Energy: 1.0441158459148208
Energy: 1.0818588282117685
Energy: 1.2138629616931709
Energy: 1.0481435067255667
Energy: 1.0223081693342138
Energy: 1.0828141020159485
Energy: 1.0483924711775792
Energy: 1.0312214343917236
Energy: 1.1226581950545478
Energy: 1.0777985705112627
Energy: 1.0947259236499678
Energy: 1.0654943946878914
Energy: 1.0772829419884602
Energy: 1.0179345224655165
Energy: 1.1225439160187578
Energy: 1.0494765228278937
Energy: 1.0489962840696925
Energy: 1.0760677943074775
Energy: 1.0391111472904007
Energy: 1.0489526296779677
Energy: 1.3885421719969935
Energy: 1.0667373163474096
Energy: 1.0769356967669481
Energy: 1.024855619786414
Energy: 1.0651700003414588
Energy: 1.0492236663820345
Energy: 1.3324680532082078
Energy: 1.0719337718802615
Energy: 1.0910329626150452
Energy: 1.0763198333648112
Energy: 1.059411511036216
Energy: 1.0909504073218337
Energy: 1.3327832108904458
Energy: 1.0925249395906476
Energy: 1.0904719180282427
Energy: 1.0736495631030252
Energy: 1.0773016745139488
Energy: 1.0899750361067166
Energy: 1.4364205382707058
Energy: 1.091586002974043
Energy: 1.0909928686220598
Energy: 1.0594583888687916
Energy: 1.075646475672831
Energy: 1.0900659638139085
Energy: 1.5445914804213283
Energy: 1.0241427288478957
Energy: 1.010523004417609
Energy: 1.0594065966380928
Energy: 1.0239966960870412
Energy: 1.0365994026639087
Energy: 1.551168225345839
Energy: 1.0639315068201218
Energy: 1.04891984458187
Energy: 1.0440366809970032
Energy: 1.075035256071202
Energy: 1.0489431181474358
Energy: 1.4389190016123599
Energy: 1.0356878336518167
Energy: 1.0190380131258072
Energy: 1.0659227997313991
Energy: 1.0637621196454141
Energy: 1.0674573652885426

minimum gb energy = 1.0099562786817644 eV
minimum distance =  2.28568713633012 Angstroms
sigma value = 33


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

Energy: 1.7655704629320463
Energy: 1.0618137286737388
Energy: 1.0908324871041652
Energy: 1.0958946801100693
Energy: 1.0597041157540765
Energy: 1.0913536421878431
Energy: 1.3932331351534564
Energy: 1.0582806188624616
Energy: 1.0587031376703766
Energy: 1.0772160588070026
Energy: 1.0887100118601631
Energy: 1.0782113004994118
Energy: 1.3827472631743585
Energy: 1.0890150634585916
Energy: 1.0595175034049884
Energy: 1.0540050475706182
Energy: 1.0891053183782686
Energy: 1.0795405424242455
Energy: 1.4732992871346708
Energy: 1.089197502121553
Energy: 1.0598935486529755
Energy: 1.0731845890457363
Energy: 1.0888092898756092
Energy: 1.073264947860878
Energy: 1.3852564258195588
Energy: 1.1116594155902613
Energy: 1.0776523182903743
Energy: 1.1141216102520133
Energy: 1.1130520945768148
Energy: 1.0755426054943447
Energy: 1.4794777904459813
Energy: 1.0778000217366355
Energy: 1.0807422231467403
Energy: 1.0766680804017856
Energy: 1.1098685351737765
Energy: 1.0778868709871718
Energy: 1.4776755178500112
Energy: 1.0809599134338388
Energy: 1.078532031116406
Energy: 1.076483160462982
Energy: 1.0807917215740648
Energy: 1.0766207773295493
Energy: 1.3840140126851306
Energy: 1.1079419104429284
Energy: 1.110233352036156
Energy: 1.1097519108268543
Energy: 1.1074367775228948
Energy: 1.1096701334761867
Energy: 1.1794067669995985
Energy: 1.1069903138200168
Energy: 1.0796383055793999
Energy: 1.1089689219635543
Energy: 1.1075084543286051
Energy: 1.0787000662539223
Energy: 1.1778345710050833
Energy: 1.1143339805420949
Energy: 1.1128657813221612
Energy: 1.1145210093121816
Energy: 1.0754402766099609
Energy: 1.0782412319001713
Energy: 1.2065488350805693
Energy: 1.012397036768999
Energy: 1.0122708800395754
Energy: 1.1117953863366228
Energy: 1.0122794503037553
Energy: 1.0121948938510814
Energy: 1.0917112383607497
Energy: 1.0716513250959987
Energy: 1.0770841138059617
Energy: 1.0891847247638367
Energy: 1.0705149348925849
Energy: 1.0248987196261665
Energy: 1.0895235607508815
Energy: 1.0779280972957823
Energy: 1.077064608002568
Energy: 1.0893998110185494
Energy: 1.0766279459827506
Energy: 1.025363381307708
Energy: 1.1053393744589612
Energy: 1.0730982349189273
Energy: 1.0734873219444145
Energy: 1.058435338737025
Energy: 1.073238901008592
Energy: 1.0730227570373536
Energy: 1.1773664020040442
Energy: 1.1135765596499365
Energy: 1.0769655324537963
Energy: 1.0597704812138486
Energy: 1.0758642399403653
Energy: 1.0774811034168736
Energy: 1.180511979750844
Energy: 1.0767459808751239
Energy: 1.0776838530828277
Energy: 1.1092321552990372
Energy: 1.0578118980277367
Energy: 1.0787429935029542
Energy: 1.4141917502710262
Energy: 1.0768705143571882
Energy: 1.0767911784199464
Energy: 1.0251585255107805
Energy: 1.0765619007526726
Energy: 1.0768963574347092
Energy: 1.288496964228319
Energy: 1.0797498417176958
Energy: 1.078910599883
Energy: 1.1073391107329436
Energy: 1.0245804833546361
Energy: 1.1079629298733045
Energy: 1.276008210884215
Energy: 1.1079664394336775
Energy: 1.1098373209166061
Energy: 1.1079954347206213
Energy: 1.1086995419336563
Energy: 1.077921864926466
Energy: 1.3847763233824084
Energy: 1.1122037995938716
Energy: 1.113066355990828
Energy: 1.0209670139480818
Energy: 1.111945714391237
Energy: 1.0778263127935068
Energy: 1.6638576603925617
Energy: 1.077043906154986
Energy: 1.0122509568137112
Energy: 1.0126556317871855
Energy: 1.0802960550692582
Energy: 1.0120222316524934
Energy: 1.2772126312012626
Energy: 1.0598189643289988
Energy: 1.028845892556289
Energy: 1.0704479010893881
Energy: 1.089179340449874
Energy: 1.0768439297825825
Energy: 1.3908203229435872
Energy: 1.0893614669619565
Energy: 1.0594688462818111
Energy: 1.076085434847105
Energy: 1.091881678263664
Energy: 1.0252768364454072
Energy: 1.5183421067828353
Energy: 1.0745158139313982
Energy: 1.0584994765987576
Energy: 1.073787686759037
Energy: 1.1053587944651935
Energy: 1.1087518667525613
Energy: 1.3886674522692395
Energy: 1.057061225555475
Energy: 1.027150796582686
Energy: 1.0762293775188034
Energy: 1.057827036474194
Energy: 1.075545213449025
Energy: 1.4873760316857516
Energy: 1.0765120378861412
Energy: 1.078407166422799
Energy: 1.0590101858613472
Energy: 1.1075217681365408
Energy: 1.077413799543853
Energy: 1.4773119809190607
Energy: 1.0769037295411914
Energy: 1.0769921913252303
Energy: 1.0768902114787562
Energy: 1.0263485958244323
Energy: 1.076955032058372
Energy: 1.3855360304937214
Energy: 1.1067599513353634
Energy: 1.108155892220238
Energy: 1.0249212070091944
Energy: 1.107146727485348
Energy: 1.0817478557364573
Energy: 1.1816697838971142
Energy: 1.106739522950668
Energy: 1.1080556864677624
Energy: 1.1106972471578702
Energy: 1.1071075902066707
Energy: 1.0794690749296862
Energy: 1.1812474300490585
Energy: 1.1118763439437815
Energy: 1.1105565005267544
Energy: 1.110527439876796
Energy: 1.0792002920138453
Energy: 1.1106626873893897
Energy: 1.227758582452702
Energy: 1.0118515571608544
Energy: 1.0121415099724762
Energy: 1.059435344746487
Energy: 1.0122572488265336
Energy: 1.0119470551355907
Energy: 1.0894108267084264
Energy: 1.0139928099217428
Energy: 1.0135303249358731
Energy: 1.0893777962014213
Energy: 1.0145113051807904
Energy: 1.0792198389438896
Energy: 1.0908923673332325
Energy: 1.1142650566218961
Energy: 1.0775412969018983
Energy: 1.0906816117454254
Energy: 1.0782397300333617
Energy: 1.0244521848111983
Energy: 1.088957698117147
Energy: 1.0738019759118487
Energy: 1.0735273105949978
Energy: 1.0888481436843804
Energy: 1.0741883114807338
Energy: 1.107668535646838
Energy: 1.177280198345399
Energy: 1.0786899068882965
Energy: 1.1145150812423597
Energy: 1.0579209369808278
Energy: 1.0763285290690883
Energy: 1.0224889195989726
Energy: 1.176912604247079
Energy: 1.0570055167379737
Energy: 1.0768598895272603
Energy: 1.109554970346276
Energy: 1.0586696459691616
Energy: 1.080550937863562
Energy: 1.1789896303110141
Energy: 1.0770668782028237
Energy: 1.0777643221866398
Energy: 1.024502859614493
Energy: 1.0772187823468307
Energy: 1.0776167152907634
Energy: 1.2755664059252438
Energy: 1.0772421989574013
Energy: 1.0807292574120149
Energy: 1.1068536604006156
Energy: 1.0774252810656777
Energy: 1.0822474926063765
Energy: 1.2855398981071247
Energy: 1.111822646198247
Energy: 1.1102735624061366
Energy: 1.107465006125486
Energy: 1.1120643170366247
Energy: 1.1082720768974745
Energy: 1.3847083274735734
Energy: 1.1074481493429729
Energy: 1.1099027265065098
Energy: 1.1126967974274509
Energy: 1.1083895316686956
Energy: 1.0783654619661118
Energy: 1.666798206437828
Energy: 1.0778528365337938
Energy: 1.0118045476688209
Energy: 1.0125652949917767
Energy: 1.0591389413447976
Energy: 1.0118756340130153

minimum gb energy = 1.0118045476688209 eV
minimum distance =  2.35473382024305 Angstroms
sigma value = 51


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

Energy: 1.6772265221154727
Energy: 1.0428617928382293
Energy: 1.080685410664991
Energy: 1.1073957941907262
Energy: 1.0650049755528967
Energy: 1.1190961969831426
Energy: 1.3000837819127833
Energy: 1.120323614829543
Energy: 1.0715574133950256
Energy: 1.1167416635777268
Energy: 1.1204744255676327
Energy: 1.07163662237298
Energy: 1.5192651531192833
Energy: 1.1022085289275367
Energy: 1.073627836362078
Energy: 1.0840570192254098
Energy: 1.121180972010862
Energy: 1.0835963577518837
Energy: 1.5165994877925015
Energy: 1.0628805193801019
Energy: 1.0687879105693938
Energy: 1.0756415641219108
Energy: 1.072690785099745
Energy: 1.0744818379076808
Energy: 1.2968233012514991
Energy: 1.1334052770393968
Energy: 1.1330374254180875
Energy: 1.1130758764950441
Energy: 1.1316135903171718
Energy: 1.1106324617867633
Energy: 1.3028175229215024
Energy: 1.1340050706330336
Energy: 1.1113330328721893
Energy: 1.1320453909570514
Energy: 1.1321862183305014
Energy: 1.1289353144546863
Energy: 1.302502273262089
Energy: 1.1134457260881971
Energy: 1.1114143622005492
Energy: 1.1320272932760018
Energy: 1.113903073940297
Energy: 1.1321554679155061
Energy: 1.3103675219529924
Energy: 1.0468497345843548
Energy: 1.0467896993653556
Energy: 1.098003698575609
Energy: 1.0477478099101625
Energy: 1.0466381732964172
Energy: 1.121822479186979
Energy: 1.047282233438728
Energy: 1.0472250850308888
Energy: 1.103026692747269
Energy: 1.0477116755380778
Energy: 1.077916522376195
Energy: 1.120867161961554
Energy: 1.1262138754838815
Energy: 1.0926386467525606
Energy: 1.1207653584213422
Energy: 1.119337843811579
Energy: 1.0490996497758551
Energy: 1.1812546738864729
Energy: 1.0602899723592814
Energy: 1.060480094114674
Energy: 1.096231278907857
Energy: 1.060620491896865
Energy: 1.0598171448169385
Energy: 1.1567623064459707
Energy: 1.1173833734754
Energy: 1.1358194473826324
Energy: 1.0910074024959957
Energy: 1.105750812944202
Energy: 1.0744013629630467
Energy: 1.1564423327911557
Energy: 1.0779876725023114
Energy: 1.0774640421026798
Energy: 1.1272916296555138
Energy: 1.0785518259022757
Energy: 1.0998280980189372
Energy: 1.1577271482023967
Energy: 1.0827084046468076
Energy: 1.0828709817385078
Energy: 1.0756596978313058
Energy: 1.0830667988924472
Energy: 1.0836104784928302
Energy: 1.3850426814752024
Energy: 1.0905711650542247
Energy: 1.0898064501742148
Energy: 1.0967283856291379
Energy: 1.0895181401778935
Energy: 1.0862671774773216
Energy: 1.3893186802813218
Energy: 1.1090055095414324
Energy: 1.0908270621421567
Energy: 1.1004974525318842
Energy: 1.1275752253570626
Energy: 1.1000491907035574
Energy: 1.4142607441943995
Energy: 1.1305299888364315
Energy: 1.128235063342657
Energy: 1.1292091346513684
Energy: 1.130412412526131
Energy: 1.0891449789900354
Energy: 1.6409508934428285
Energy: 1.0909682246488603
Energy: 1.0640085134280075
Energy: 1.0451934207068243
Energy: 1.0911464216454057
Energy: 1.0951000898325605

minimum gb energy = 1.0428617928382293 eV
minimum distance =  2.26315752585267 Angstroms
sigma value = 19


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

Energy: 1.423077403231266
Energy: 1.04597589456506
Energy: 1.0267404791898733
Energy: 1.0291744435355004
Energy: 1.0429621117553987
Energy: 1.0264471481355142
Energy: 1.230611978561117
Energy: 1.0446151441045464
Energy: 1.0447986739949808
Energy: 1.0630485729294714
Energy: 1.0446819861639465
Energy: 1.044756663097375
Energy: 1.5120823786191757
Energy: 1.0441863892709269
Energy: 1.0443190844602932
Energy: 1.0654486186039869
Energy: 1.044482135918771
Energy: 1.0444031460129057
Energy: 1.2173801960493358
Energy: 1.0444761457909204
Energy: 1.0447860771819324
Energy: 1.0505578535518447
Energy: 1.0444293439210899
Energy: 1.0448167943080755
Energy: 1.2311200196811847
Energy: 1.0442522867369461
Energy: 1.0851484140220533
Energy: 1.0648316233316237
Energy: 1.0440375732649236
Energy: 1.0852483797078982
Energy: 1.231048951412333
Energy: 1.0102547453136854
Energy: 1.0849523581390128
Energy: 1.0639072576250739
Energy: 1.0101142806632464
Energy: 1.0618074301623672
Energy: 1.2344240214489404
Energy: 1.0845739677060346
Energy: 1.0618100983953087
Energy: 1.0632890214036488
Energy: 1.0235654309488775
Energy: 1.0611954720033006
Energy: 1.189876288574891
Energy: 0.9641707882416667
Energy: 0.9640695764904541
Energy: 1.045609967167193
Energy: 0.9637557969508712
Energy: 0.9639167217926824
Energy: 1.0441837646248617
Energy: 0.964039342853762
Energy: 0.9645181617342689
Energy: 1.0441157593371657
Energy: 0.9639589886196438
Energy: 0.9896163748333082
Energy: 1.044207081615989
Energy: 1.02722570275409
Energy: 1.0448041983730427
Energy: 1.0443655231247089
Energy: 1.0640664660699628
Energy: 1.0444871270289786
Energy: 1.0423486715882921
Energy: 1.0510528418382445
Energy: 1.0543306478384111
Energy: 1.0426539635470056
Energy: 1.0511580403932985
Energy: 1.0441610785063749
Energy: 1.2281638149666148
Energy: 1.0661132729835732
Energy: 1.082984021828384
Energy: 1.0439353429057758
Energy: 1.0631500836362002
Energy: 1.0442938670149524
Energy: 1.0097621522644928
Energy: 1.0623386472238396
Energy: 1.0626527609319265
Energy: 1.0101603231002516
Energy: 1.0634095006080333
Energy: 1.0637276282751724
Energy: 1.2287561866612071
Energy: 1.0638820840422551
Energy: 1.063379785099425
Energy: 1.044409618432345
Energy: 1.0642531904612629
Energy: 1.062046135799405
Energy: 1.431162345996549
Energy: 1.0449100481775588
Energy: 1.0490864500164008
Energy: 0.9640079612530819
Energy: 1.0448415013663752
Energy: 0.9631626013986752
Energy: 1.4269309746361112
Energy: 1.0456648023981572
Energy: 0.9639185560175287
Energy: 0.9640533292722808
Energy: 1.044866589237829
Energy: 0.9644014715921188
Energy: 1.2310657927202127
Energy: 1.0447408361448505
Energy: 1.0448756884103394
Energy: 1.0644778251438962
Energy: 1.0448466763023156
Energy: 1.0447495791366928
Energy: 1.2197801095731915
Energy: 1.0444979885019774
Energy: 1.0446944189773575
Energy: 1.0504815624055552
Energy: 1.04453552583937
Energy: 1.0447674715026383
Energy: 1.2144304953287823
Energy: 1.0443120464821842
Energy: 1.0445260920540564
Energy: 1.050371863294392
Energy: 1.0444683142311266
Energy: 1.0440943921729537
Energy: 1.2298011385794319
Energy: 1.010280869874995
Energy: 1.0842726125045274
Energy: 1.063787083735791
Energy: 1.0100737249352314
Energy: 1.0843823997389384
Energy: 1.22351323033924
Energy: 1.0830157000815859
Energy: 1.06185823958503
Energy: 1.0637819113212734
Energy: 1.0451373280934146
Energy: 1.0628348850671538
Energy: 1.229256924597061
Energy: 1.0845575630394402
Energy: 1.0846093329090025
Energy: 1.0630111966054505
Energy: 1.023799914735443
Energy: 1.0856287128110644
Energy: 1.191674784829562
Energy: 0.9657501116300405
Energy: 0.9654764896806962
Energy: 1.1912931272314373
Energy: 0.9645284456051995
Energy: 1.0272232638545655
Energy: 1.044757684990285
Energy: 1.0265975220242773
Energy: 1.0470342877093717
Energy: 1.0450016012578747
Energy: 1.0396815633296312
Energy: 1.044834502492277
Energy: 1.0445452798736343
Energy: 1.046147675614238
Energy: 1.0446509801002053
Energy: 1.0445265076215802
Energy: 1.064859051492688
Energy: 1.0444355854070853
Energy: 1.1925894234348944
Energy: 1.0504756540544398
Energy: 1.0504800474614038
Energy: 1.044453587375798
Energy: 1.0505247775277797
Energy: 1.0446199996098433
Energy: 1.2284475575781395
Energy: 1.063724529674677
Energy: 1.08295659507116
Energy: 1.044280530457053
Energy: 1.0665718579341168
Energy: 1.0842693609726881
Energy: 1.0101001727690828
Energy: 1.0628618475562188
Energy: 1.0607059051697598
Energy: 1.0102228703916922
Energy: 1.063368324533067
Energy: 1.0859487148661804
Energy: 1.1922293809889477
Energy: 1.0622754731455533
Energy: 1.0613504161359506
Energy: 1.0244437717819606
Energy: 1.0629473999724117
Energy: 1.0610490414362597
Energy: 1.428694885175124
Energy: 1.0457220375239877
Energy: 0.9852441334962345
Energy: 0.9640799705882822
Energy: 1.045980808825612
Energy: 0.9641048211138467

minimum gb energy = 0.9631626013986752 eV
minimum distance =  2.37190405304195 Angstroms
sigma value = 27


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

Energy: 1.2180322767711191
Energy: 1.033467204418515
Energy: 1.2490031064327594
Energy: 1.056714717696863
Energy: 1.0338220163617668
Energy: 1.2488965358101547
Energy: 1.2150630999272787
Energy: 1.0574045454149923
Energy: 0.9743596428484594
Energy: 0.9757016229203628
Energy: 1.0571683223014436
Energy: 0.972227418170778
Energy: 1.1000522613102872
Energy: 1.0566815361693722
Energy: 0.9980966441315267
Energy: 0.9734742447103966
Energy: 1.0562484635211173
Energy: 1.0013567262314385
Energy: 1.1027081305137099
Energy: 0.9962114075763064
Energy: 0.9959707795560131
Energy: 0.9735622447284041
Energy: 1.0562944898718511
Energy: 0.9741668314970363
Energy: 1.2165023031532727
Energy: 0.9175300749880821
Energy: 0.9726962415964151
Energy: 1.031618736608712
Energy: 0.9175670005414006
Energy: 0.9726922957959107
Energy: 1.0538058613875365
Energy: 0.9189554953326758
Energy: 0.9171912576439712
Energy: 1.0540781761218365
Energy: 0.9199690764705175
Energy: 0.9179140614202438
Energy: 1.058318546213473
Energy: 0.9730957131087309
Energy: 0.9735787910345239
Energy: 1.058704486586604
Energy: 0.9733572941267716
Energy: 0.9991006436681603
Energy: 1.0575999601426416
Energy: 0.9700776155257587
Energy: 0.9851404679420268
Energy: 1.057583824096905
Energy: 0.9696447404040337
Energy: 0.9883673431663785
Energy: 1.0996675505720515
Energy: 0.9683613504038994
Energy: 0.9778689248571251
Energy: 1.057720661657031
Energy: 0.9673746590138839
Energy: 0.9991378233446476
Energy: 1.1025268479642532
Energy: 0.9955990593037743
Energy: 0.9651730201996719
Energy: 0.9966847882399129
Energy: 0.9963229207530552
Energy: 0.967469923130865
Energy: 1.0999001416944931
Energy: 0.9973760223471946
Energy: 0.9982153826052007
Energy: 0.996435119213687
Energy: 1.034535815034071
Energy: 0.9966099805373373
Energy: 1.10330364079463
Energy: 0.9993204150258322
Energy: 0.9726385686244214
Energy: 0.9742695338252912
Energy: 1.00116092217427
Energy: 0.9722656656640689

minimum gb energy = 0.9171912576439712 eV
minimum distance =  2.30664879223194 Angstroms
sigma value = 9


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

Energy: 2.0584479888431693
Energy: 0.9039542495365566
Energy: 0.8624839851888
Energy: 0.9312903945760086
Energy: 0.9365473140881962
Energy: 0.8536927038174406
Energy: 0.9456604740383079
Energy: 0.9052020865545564
Energy: 0.9110828920108474
Energy: 0.8956012265354221
Energy: 0.9210192272995765
Energy: 0.8944938542580978
Energy: 0.944724331631375
Energy: 0.9219324498190616
Energy: 0.8726810284287961
Energy: 0.9187863558483677
Energy: 0.9207212296945938
Energy: 0.8855859532608756
Energy: 0.9446457381610947
Energy: 0.8832014684396753
Energy: 0.8823072852608944
Energy: 0.9065871524749751
Energy: 0.9032064953303025
Energy: 0.881986978584143
Energy: 1.0176555838061845
Energy: 0.9266093406657381
Energy: 0.9005173906955374
Energy: 0.9525284682577183
Energy: 0.9256624444116328
Energy: 0.8845123895451193
Energy: 0.9525763318855506
Energy: 0.9039161988549229
Energy: 0.9024510036967216
Energy: 0.9525874974977091
Energy: 0.8867666491654654
Energy: 0.8526808341772816
Energy: 0.9530873240609511
Energy: 0.8847180101347047
Energy: 0.8836942686580556
Energy: 0.9537328967961932
Energy: 0.8832112980153887
Energy: 0.9558441567486577
Energy: 0.9759910856036133
Energy: 0.9116163337946142
Energy: 0.9410937004270344
Energy: 0.9759866421844252
Energy: 0.904533534811376
Energy: 0.8730036844149521
Energy: 1.1067800446602971
Energy: 0.9395865702029655
Energy: 0.8843348270792379
Energy: 0.966219908128745
Energy: 0.9395418982817436
Energy: 0.8901005168919807
Energy: 0.8727049286280346
Energy: 0.9286221139714317
Energy: 0.8869615944698229
Energy: 0.8848387185695002
Energy: 0.9401139691793817
Energy: 0.9171014185484703
Energy: 0.8727850215979098
Energy: 0.9534902346775002
Energy: 0.9372889412007424
Energy: 0.890367371095194
Energy: 0.9533269017798545
Energy: 0.8993847114353232
Energy: 1.1232026314308816
Energy: 0.953087241100655
Energy: 0.9535643633795332
Energy: 0.8999748479677182
Energy: 0.9532438452231692
Energy: 0.9094683382792885
Energy: 1.2551577389284994
Energy: 0.9473846996337294
Energy: 0.8984564170324675
Energy: 0.874121259771186
Energy: 1.1209654091201937
Energy: 0.8688852767761517
Energy: 1.1209036767971798
Energy: 0.9529455067944232
Energy: 0.9000832361809313
Energy: 0.899943933131937
Energy: 0.9527318890534143
Energy: 0.9105242990549114
Energy: 0.9209260606123477
Energy: 0.9134693265267663
Energy: 0.9144052227946378
Energy: 0.9208753929077956
Energy: 0.916717085475247
Energy: 0.953024325657673
Energy: 0.92075619460383
Energy: 0.8818171987724309
Energy: 0.8821691087083561
Energy: 0.9225375146383646
Energy: 0.9292826606412558
Energy: 0.8987611344407531
Energy: 0.9195097962159783
Energy: 0.897625386513019
Energy: 0.881346807450624
Energy: 0.919511017983082
Energy: 0.8974959254164627
Energy: 0.9011562690639386
Energy: 0.9438766378431499
Energy: 0.8968765582704629
Energy: 0.8819260934437847
Energy: 0.9192848090540113
Energy: 0.9147558859753665
Energy: 0.9114875728304708
Energy: 0.945161858640226
Energy: 0.895248719289938
Energy: 0.8954218480092342
Energy: 0.9198227778615186
Energy: 0.8955067819231247
Energy: 0.8854981102345831
Energy: 0.9440714553545178
Energy: 0.9031089819934603
Energy: 0.8764713343062758
Energy: 0.9020743465941866
Energy: 0.9025360977853298
Energy: 0.8724978572258659
Energy: 0.9437958992692568
Energy: 0.8758860703957334
Energy: 0.8819739066389993
Energy: 0.901772096339605
Energy: 0.8993438258467923
Energy: 0.8891028215625708
Energy: 0.9915245906296252
Energy: 0.9134041680052462
Energy: 0.9550834414855045
Energy: 0.9284490351205034
Energy: 0.9202151097988579
Energy: 0.9178221186608162
Energy: 0.9881905540629946
Energy: 0.902270436066932
Energy: 0.9071946640221488
Energy: 0.9259317890966909
Energy: 0.9210616790024388
Energy: 0.8577142438540597
Energy: 0.9438138554570483
Energy: 0.9048831770458007
Energy: 0.8977527527153497
Energy: 0.9393325929437447
Energy: 0.9211145600647264
Energy: 0.8848852621118686
Energy: 1.263965015799799
Energy: 0.9043951253253477
Energy: 0.9124484654143714
Energy: 0.8936831176163746
Energy: 0.9223810289266201
Energy: 0.934182423981029
Energy: 0.9435455247639141
Energy: 0.9003249425872305
Energy: 0.8840627555439562
Energy: 0.9536241295313537
Energy: 0.9007090106310224
Energy: 0.9016958817601248
Energy: 0.9391220547321999
Energy: 0.9000237024376923
Energy: 0.8949398399168378
Energy: 0.939385259154632
Energy: 0.9020942934920766
Energy: 0.9030564790146626
Energy: 0.953112217124882
Energy: 0.8841551783838663
Energy: 0.8838695029532936
Energy: 0.9528926618939396
Energy: 0.9008797990886587
Energy: 0.9561652566129538
Energy: 0.9532317848768543
Energy: 0.9212739316241065
Energy: 0.8855680109470613
Energy: 0.9531361524365352
Energy: 0.9188769986587427
Energy: 0.9382351865235264
Energy: 0.927017218235358
Energy: 0.9109481964354724
Energy: 0.9403082639181716
Energy: 0.9083378406864302
Energy: 0.9047775307398973
Energy: 0.883556646734914
Energy: 0.8730153838369531
Energy: 0.9284397815446693
Energy: 0.8857204191671981
Energy: 0.9150585270933873
Energy: 0.9394665725874797
Energy: 0.8948622385348707
Energy: 0.8813591744215807
Energy: 0.9520709138828298
Energy: 0.9366326228313829
Energy: 0.8847403025082093
Energy: 0.9520181319448064
Energy: 0.8993327698804847
Energy: 1.1203728281242111
Energy: 0.9530430852628504
Energy: 0.9530071944778645
Energy: 0.9509159587971396
Energy: 0.9540045255987741
Energy: 0.8838668940154177
Energy: 0.9372616886351924
Energy: 0.953224224924425
Energy: 0.9538311616451687
Energy: 0.917097132009141
Energy: 0.953046177907363
Energy: 0.8859676175284115
Energy: 0.9315655251943156
Energy: 0.9529186584079606
Energy: 0.9000833250749648
Energy: 0.914580468446152
Energy: 0.9531005002461167
Energy: 0.9006085240562296
Energy: 0.9336995830367757
Energy: 0.9186052891080707
Energy: 0.8873032384396324
Energy: 0.9347720396548006
Energy: 0.9222650199491401
Energy: 0.87189803141422
Energy: 0.9198492624219448
Energy: 0.9112818317411139
Energy: 0.884540064848806
Energy: 0.9210532508889946
Energy: 0.9229008999924448
Energy: 0.8874796529139307
Energy: 0.9196519525992638
Energy: 0.897628225588883
Energy: 0.8904048296800158
Energy: 0.9196419474402103
Energy: 0.8947502257309319
Energy: 0.8956930005781185
Energy: 0.97169142512103
Energy: 0.8811554559028418
Energy: 0.87524956153934
Energy: 0.904709503766703
Energy: 0.8806999958809884
Energy: 0.8807283660648441
Energy: 0.9429952615608003
Energy: 0.8930426419327645
Energy: 0.8905689649500206
Energy: 0.9192837416466507
Energy: 0.8965599413138019
Energy: 0.8860484746587916
Energy: 0.9435334901869007
Energy: 0.8912237603777511
Energy: 0.8870470034627742
Energy: 0.8979840979033482
Energy: 0.9042984459093444
Energy: 0.8868057177638424
Energy: 0.9460271808214058
Energy: 0.904272214412367
Energy: 0.8800190458850327
Energy: 0.8963459484214464
Energy: 0.9039413333494329
Energy: 0.8728259731791628
Energy: 0.9883333912180627
Energy: 0.9025544593444325
Energy: 0.8911342610603857
Energy: 0.9259322987280841
Energy: 0.9210631602378068
Energy: 0.8577371453029735

minimum gb energy = 0.8526808341772816 eV
minimum distance =  2.29669663246702 Angstroms
sigma value = 57


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

Energy: 0.4516861814804963
Energy: 0.5136122715596255
Energy: 0.5076337105732993
Energy: 0.4544090329867028
Energy: 0.5137086201748337
Energy: 0.45451071241186
Energy: 0.5726863969344973
Energy: 0.4803956556321023
Energy: 0.48350542437299826
Energy: 0.5118274610102497
Energy: 0.4805379927157276
Energy: 0.4948563240214631
Energy: 0.5761149411269406
Energy: 0.4804073535942203
Energy: 0.4816661279131577
Energy: 0.5152114760123412
Energy: 0.5160849367506796
Energy: 0.4840899705517244
Energy: 0.5765040454847873
Energy: 0.479404353199052
Energy: 0.4811724173107972
Energy: 0.5166418266768734
Energy: 0.5169766182299822
Energy: 0.5060534869188865
Energy: 0.5714886313029202
Energy: 0.46006624612786007
Energy: 0.4560122512689631
Energy: 0.5172061305027531
Energy: 0.4541169688928164
Energy: 0.48455112848154874
Energy: 0.5151261933465543
Energy: 0.45506555756513756
Energy: 0.45708243703095974
Energy: 0.47772517611714477
Energy: 0.45312063138925757
Energy: 0.486116268444635
Energy: 0.5082447169706591
Energy: 0.4800322539175729
Energy: 0.48311477727813873
Energy: 0.5102048554058668
Energy: 0.47683140184877804
Energy: 0.49818732020297524
Energy: 0.5155518301042448
Energy: 0.48008559225947606
Energy: 0.48205137681239296
Energy: 0.5160973041395477
Energy: 0.4814490296386055
Energy: 0.4822637155489746
Energy: 0.5703343418728793
Energy: 0.4823003354458123
Energy: 0.5002099893632393
Energy: 0.5149103136578341
Energy: 0.5151299583054058
Energy: 0.4827022483580806
Energy: 0.45249994501246055
Energy: 0.4775215762187746
Energy: 0.45584701805376415
Energy: 0.4527603984712421
Energy: 0.5145256360227304
Energy: 0.4850366153938699
Energy: 0.4524866661086291
Energy: 0.4799434678541058
Energy: 0.4848105194743881
Energy: 0.45309803316335767
Energy: 0.47784207119918726
Energy: 0.4567078517929679
Energy: 0.573243658078525
Energy: 0.5260018358793064
Energy: 0.4952378872209741
Energy: 0.5141865767671235
Energy: 0.5141837272024342
Energy: 0.49500388579035215
Energy: 0.5771316068035949
Energy: 0.5807660531230618
Energy: 0.5252348505354038
Energy: 0.4817658231169448
Energy: 0.5776901142374075
Energy: 0.52301267524787
Energy: 0.5717736954939178
Energy: 0.5194956296954557
Energy: 0.4986478392860184
Energy: 0.5143675352569723
Energy: 0.5141046074211965
Energy: 0.49745852938508095
Energy: 0.5764688852149658
Energy: 0.45385176320305637
Energy: 0.454241598414657
Energy: 0.5166359798722888
Energy: 0.45779084033886713
Energy: 0.4545357368367438
Energy: 0.5121858496355847
Energy: 0.4834482157217134
Energy: 0.4959445334670599
Energy: 0.5141815626678745
Energy: 0.4545806334935003
Energy: 0.5049523806282565
Energy: 0.5141083761802
Energy: 0.4671613154310082
Energy: 0.5051014705661041
Energy: 0.514880581705328
Energy: 0.5163074920955686
Energy: 0.4824702027877617
Energy: 0.5749389161138204
Energy: 0.4803830197798377
Energy: 0.48535671111148093
Energy: 0.5761439629249206
Energy: 0.48280458597901993
Energy: 0.48158920519912646
Energy: 0.45245017131693166
Energy: 0.48049234171283295
Energy: 0.4815897106774532
Energy: 0.453266913808277
Energy: 0.48137758757795784
Energy: 0.5021709458089783

minimum gb energy = 0.4516861814804963 eV
minimum distance =  2.35475986157362 Angstroms
sigma value = 11


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

Energy: 1.7202741469860574
Energy: 0.8042922592347925
Energy: 0.8781003410261856
Energy: 0.808877026958941
Energy: 0.7698453705071626
Energy: 0.8748527495578436
Energy: 0.7719211035827914
Energy: 0.7862020891214867
Energy: 0.7911919384894226
Energy: 0.7828483351304658
Energy: 0.7726059671408928
Energy: 0.7941894101775752
Energy: 0.7705075063058986
Energy: 0.7821161905436724
Energy: 0.7853523822671755
Energy: 0.7723497021342802
Energy: 0.7809093986570442
Energy: 0.7759084143144303
Energy: 0.7718951604111117
Energy: 0.7888745840099199
Energy: 0.7916402795103363
Energy: 0.7733394896625596
Energy: 0.7782602560332713
Energy: 0.7859732113135702
Energy: 0.7716880349498318
Energy: 0.8486691672521044
Energy: 0.8473287355018422
Energy: 0.7916609598809653
Energy: 0.8314762302776091
Energy: 0.7820986690925944
Energy: 0.8305876898850866
Energy: 0.8267900195310692
Energy: 0.8246737918765004
Energy: 0.79973409062574
Energy: 0.7825614056324889
Energy: 0.8486152318039478
Energy: 0.8291243298866507
Energy: 0.7782878769206512
Energy: 0.781433064900443
Energy: 0.772089754749448
Energy: 0.7827998296598654
Energy: 0.7804757071041063
Energy: 0.7907041857865708
Energy: 0.7847747372666015
Energy: 0.7731349610092589
Energy: 0.8098345295338161
Energy: 0.7838047917259551
Energy: 0.7822455247699991
Energy: 0.8313246331141917
Energy: 0.8090875430678556
Energy: 0.8313776129562507
Energy: 0.7901579569559354
Energy: 0.7751615444844175
Energy: 0.8296498702620568
Energy: 0.8876280820249635
Energy: 0.8149089157249734
Energy: 0.8496531998489535
Energy: 0.7693284082687516
Energy: 0.8181458033776471
Energy: 0.8220893936254509
Energy: 0.8843717321303025
Energy: 0.8150403489630612
Energy: 0.8574478241833039
Energy: 0.7803994988181091
Energy: 0.8156616830898229
Energy: 0.8485142540966115
Energy: 0.8285498403905883
Energy: 0.7586318017397304
Energy: 0.7734407579645592
Energy: 0.7817957914121227
Energy: 0.7518380185157085
Energy: 0.7927248353038101
Energy: 0.8895735102677539
Energy: 0.7485867718221494
Energy: 0.7498783073273527
Energy: 0.7903963828206354
Energy: 0.7528406078680597
Energy: 0.7938629317254018
Energy: 0.8904507696291563
Energy: 0.8502520796233216
Energy: 0.8498331823115722
Energy: 0.8147911152625615
Energy: 0.8153100835780522
Energy: 0.8500427352139961
Energy: 1.1579704451957331
Energy: 0.8023883292948736
Energy: 0.82650942674529
Energy: 0.8333794936162973
Energy: 0.7936615998669655
Energy: 1.0084252682268633
Energy: 1.1011084674901739
Energy: 0.8521194063522312
Energy: 0.8500322562752238
Energy: 0.8116741160070546
Energy: 0.8549850968269287
Energy: 0.8512935114108224
Energy: 1.2544967721606715
Energy: 0.815701249537044
Energy: 0.7622069100916533
Energy: 0.7573957314496048
Energy: 0.8280171504939116
Energy: 0.7627160403688309
Energy: 1.352521850726288
Energy: 0.8138983368994079
Energy: 0.8543117699271378
Energy: 0.8074735698345391
Energy: 0.8119101073591753
Energy: 0.8509762119251336
Energy: 1.1108578960298556
Energy: 0.7852911784241865
Energy: 0.8310991912263865
Energy: 0.7881763937863437
Energy: 0.7794331339855302
Energy: 0.8243208230339317
Energy: 1.0343037458920348
Energy: 0.7813569177937874
Energy: 0.7928258645724682
Energy: 0.7791520077721336
Energy: 0.8963912482997133
Energy: 0.795620110176854
Energy: 1.1015979584447313
Energy: 0.8538373440020605
Energy: 0.8138437157570669
Energy: 0.8247853882981947
Energy: 0.8459776048622878
Energy: 0.8179365082582547
Energy: 1.0820198370828695
Energy: 0.7651036668363701
Energy: 0.7626744095765358
Energy: 1.108408986875621
Energy: 0.8043910841010999
Energy: 0.8591448226023317
Energy: 0.772717070142548
Energy: 0.8274606708648449
Energy: 0.8208280730672857
Energy: 0.7861234675775508
Energy: 0.7852363680133557
Energy: 0.8185067634046191
Energy: 0.7762401520069305
Energy: 0.78055571402418
Energy: 0.775280197253358
Energy: 0.7775398191648218
Energy: 0.7761747972806811
Energy: 0.7833555579595977
Energy: 0.7706465087801596
Energy: 0.7778571401832051
Energy: 0.7984846615979053
Energy: 0.7757424116644478
Energy: 0.7734250028960866
Energy: 0.7930406014391864
Energy: 0.8731880931877256
Energy: 0.7896029825557642
Energy: 0.8340297554863249
Energy: 0.7673743727386664
Energy: 0.7824693758178658
Energy: 0.8474069277979408

minimum gb energy = 0.7485867718221494 eV
minimum distance =  2.31525138499606 Angstroms
sigma value = 41


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

Energy: 1.6404047294408695
Energy: 0.8832906510817902
Energy: 0.8702087686327045
Energy: 0.8996475730760473
Energy: 0.9464023227237087
Energy: 0.8301939004326659
Energy: 0.8376090472256748
Energy: 0.8590963207292994
Energy: 0.859439208560497
Energy: 0.8455243795777149
Energy: 0.8432123738072845
Energy: 0.8395581574160424
Energy: 0.8388714111881727
Energy: 0.842575825933844
Energy: 0.8409018729338004
Energy: 0.8412584883246104
Energy: 0.8459706516167135
Energy: 0.840138490463132
Energy: 0.8393854913563213
Energy: 0.8552561444338685
Energy: 0.8510178986812377
Energy: 0.8412129024508224
Energy: 0.8442989758520305
Energy: 0.8494062258365895
Energy: 0.8385468888437196
Energy: 0.8613868730703352
Energy: 0.8612390953675514
Energy: 0.8539858617432544
Energy: 0.8664265895592369
Energy: 0.8552810459612147
Energy: 0.9277660732496438
Energy: 0.8508048769372624
Energy: 0.85045041961683
Energy: 0.8554329897707001
Energy: 0.8455615445166272
Energy: 0.8513037052947393
Energy: 0.9304984052429018
Energy: 0.8440086999789833
Energy: 0.8486898661844011
Energy: 0.8382688736969545
Energy: 0.8593319404157908
Energy: 0.849050504156173
Energy: 0.8692076971603241
Energy: 0.8742921956370274
Energy: 0.8751847360647688
Energy: 0.8042305301810323
Energy: 0.8736910625986388
Energy: 0.8175419318425676
Energy: 0.929188761757765
Energy: 0.8487408175794426
Energy: 0.8525538658149192
Energy: 0.8611489261061609
Energy: 0.8472008697374178
Energy: 0.8520187201487707
Energy: 0.9297615713385928
Energy: 0.8583602883210201
Energy: 0.8599444222175069
Energy: 0.837730613037508
Energy: 0.8589715466857564
Energy: 0.8507331999780102
Energy: 0.9302992330862382
Energy: 0.8553239733833778
Energy: 0.8535851057227726
Energy: 0.8422255255784749
Energy: 0.859647354222298
Energy: 0.8510914822844141
Energy: 0.9294251225954921
Energy: 0.8189796450818938
Energy: 0.8039752112860844
Energy: 0.8607023372841526
Energy: 0.8032429515507238
Energy: 0.8508812768962964
Energy: 0.8425571970601631
Energy: 0.8025797703946738
Energy: 0.8033842441205296
Energy: 0.8575059259187865
Energy: 0.803507309593171
Energy: 0.8051063968019272
Energy: 0.8419818245089011
Energy: 0.8586775535216589
Energy: 0.8517783587887278
Energy: 0.8460539403836516
Energy: 0.85910618806764
Energy: 0.8510749601828406
Energy: 0.8745663813404697
Energy: 0.861883495237275
Energy: 0.8728577480024494
Energy: 0.874623158074684
Energy: 0.8482109201180108
Energy: 0.8715101471827988
Energy: 0.8369788995265675
Energy: 0.8534944585938787
Energy: 0.8500332172125195
Energy: 0.8597047923595427
Energy: 0.8663438150134465
Energy: 0.849166316380006
Energy: 1.2711698688312354
Energy: 0.8612361006646958
Energy: 0.8325407135688628
Energy: 0.805892904250217
Energy: 0.8623801567965734
Energy: 0.805410582399035
Energy: 0.868730720122045
Energy: 0.8611378880919267
Energy: 0.862065736049269
Energy: 0.8184964592902424
Energy: 0.8649334859212662
Energy: 0.8350771759410407
Energy: 0.8383662020790733
Energy: 0.8450880004007457
Energy: 0.8436166692629048
Energy: 0.8405752714803003
Energy: 0.8447589903310221
Energy: 0.8405759150726095
Energy: 0.8386933934525245
Energy: 0.8427928213334198
Energy: 0.8392470608822515
Energy: 0.8412472166819998
Energy: 0.8449072231130217
Energy: 0.8410074943224838
Energy: 0.8373684503415076
Energy: 0.8419579680481931
Energy: 0.8393417741363028
Energy: 0.8652653508077649
Energy: 0.8440556467934514
Energy: 0.8392662829089237
Energy: 1.2916962851450586
Energy: 0.8601008045673579
Energy: 0.86025495662766
Energy: 1.2911474362187265
Energy: 0.8398398240318115
Energy: 0.8628835501102037
Energy: 0.9292176538250603
Energy: 0.848275665809157
Energy: 0.8483606198211353
Energy: 0.853142368877182
Energy: 0.8441921835229437
Energy: 0.8501083624914927
Energy: 0.8689800538549058
Energy: 0.841584272923412
Energy: 0.8475783684469341
Energy: 0.8661259616917036
Energy: 0.8425376095908587
Energy: 0.8179447775702535
Energy: 0.9305080804224488
Energy: 0.8441456168097751
Energy: 0.8487427068047773
Energy: 0.8546113765826381
Energy: 0.8449885008909237
Energy: 0.8511834701555623
Energy: 0.929823680168403
Energy: 0.8596219180707124
Energy: 0.8540860121108313
Energy: 0.8438207212628813
Energy: 0.8613196867339828
Energy: 0.8413228753607426
Energy: 0.9297031724229421
Energy: 0.8593538417842731
Energy: 0.8523913671302655
Energy: 0.8387350745852249
Energy: 0.8606216563544449
Energy: 0.8508754423126405
Energy: 1.1838607880633047
Energy: 0.8330337118309555
Energy: 0.9185916030059486
Energy: 0.8589897749457505
Energy: 0.8193140730315869
Energy: 0.8618776022390765
Energy: 0.8430522350753414
Energy: 0.8020221311397212
Energy: 0.8045304865132265
Energy: 0.8732120291808831
Energy: 0.8028443227523328
Energy: 0.8068878102715381
Energy: 0.9338035262276079
Energy: 0.8600322994939014
Energy: 0.8537564677732171
Energy: 0.8499454435267157
Energy: 0.8603917068712629
Energy: 0.8627410920205263
Energy: 0.8405396606797553
Energy: 0.8403038486667135
Energy: 0.8385488326246302
Energy: 0.8404682508109349
Energy: 0.8453321392872863
Energy: 0.8400446428421159
Energy: 0.837025321058135
Energy: 0.866856342814886
Energy: 0.850810568268903
Energy: 0.845994653339548
Energy: 0.8412595559570553
Energy: 0.8423076046779436
Energy: 0.9867239750816584
Energy: 0.861258346074011
Energy: 0.8344334512669462
Energy: 0.8103571563178109
Energy: 0.8627376528674299
Energy: 0.8337751947478007

minimum gb energy = 0.8020221311397212 eV
minimum distance =  2.321366456046 Angstroms
sigma value = 33


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

Energy: 1.0713398018035094
Energy: 0.9919808140443599
Energy: 0.8894991463800265
Energy: 0.8827797824273005
Energy: 0.9024777931323706
Energy: 0.8898021868836926
Energy: 0.914350562862808
Energy: 0.919726901392179
Energy: 0.9182077479576193
Energy: 0.8969521347216608
Energy: 0.9182026576421474
Energy: 0.8965821330887936
Energy: 0.916497315022468
Energy: 0.8953455888987596
Energy: 0.8983886086610234
Energy: 0.916698639434113
Energy: 0.8952993278103734
Energy: 0.9004135421954532
Energy: 0.9201141417145775
Energy: 0.9159388029074651
Energy: 0.8963172298463213
Energy: 0.9217175517228723
Energy: 0.8942066077299847
Energy: 0.8963971621639039
Energy: 0.9192155350697412
Energy: 0.9190997455338965
Energy: 0.8689588706228163
Energy: 0.9406564032961104
Energy: 0.9186222462769656
Energy: 0.8679850258763747
Energy: 0.9615436023655762
Energy: 0.8973708750624688
Energy: 0.8962837717727721
Energy: 0.8718016095922968
Energy: 0.901843753158804
Energy: 0.8987917252921995
Energy: 0.9601715793208218
Energy: 0.896891168611613
Energy: 0.8960774301539841
Energy: 0.9151020324478893
Energy: 0.9200028559735569
Energy: 0.8941030884974481
Energy: 0.9565054355321653
Energy: 0.9182953987820492
Energy: 0.8822106337120426
Energy: 0.8658914492592941
Energy: 0.9577723404014354
Energy: 0.8827223603443407
Energy: 0.9589361361453778
Energy: 0.8976692835185937
Energy: 0.8680171895357476
Energy: 0.873536874098032
Energy: 0.8703794932314026
Energy: 0.8677831038512827
Energy: 1.0411358360680008
Energy: 0.8950590657890426
Energy: 0.8965709306340577
Energy: 0.8976306052828388
Energy: 0.8940686839015022
Energy: 0.9008188810207199
Energy: 0.9593105781816007
Energy: 0.8990011756853734
Energy: 0.8965968755092673
Energy: 0.9189245713390216
Energy: 0.920992696272613
Energy: 0.8949530741010502
Energy: 0.959278806603485
Energy: 0.8651571424137922
Energy: 0.8650648751454912
Energy: 0.9401406029183594
Energy: 0.8715039593827704
Energy: 0.8647209946937787
Energy: 0.9718177123599155
Energy: 0.865041876528933
Energy: 0.8648871278189127
Energy: 0.9397328522954795
Energy: 0.8748200609073385
Energy: 0.8645159986408979
Energy: 0.9142036541767278
Energy: 0.8979246563532236
Energy: 0.8955595536015606
Energy: 0.9161004635502382
Energy: 0.8962073882067715
Energy: 0.8941419483649193
Energy: 0.8653466268540311
Energy: 0.8967063750977162
Energy: 0.917438026480944
Energy: 0.8956335309809804
Energy: 0.8967420823589431
Energy: 0.9162792961299442
Energy: 0.9143785649544287
Energy: 0.9163472555472676
Energy: 0.8947405789009434
Energy: 0.9215762284001975
Energy: 0.9158587989195742
Energy: 0.8957701322602216
Energy: 0.9622012916914116
Energy: 0.9005232834070118
Energy: 0.8954741920714511
Energy: 0.8946547931627884
Energy: 0.97713744374369
Energy: 0.9038303755151071
Energy: 0.9604142312075259
Energy: 0.8702701497964905
Energy: 0.8683120696384407
Energy: 0.9400439197096522
Energy: 0.8728993823866443
Energy: 0.8686935294582536
Energy: 0.9181221635567268
Energy: 0.8660192004616204
Energy: 0.866721830181161
Energy: 0.898341485314888
Energy: 0.8682047017830766
Energy: 0.8936291962172415
Energy: 0.8689816176489199
Energy: 0.86664225260789
Energy: 0.8648633365043364
Energy: 0.8969613744101277
Energy: 0.8729505281455735
Energy: 0.8983754953433454
Energy: 0.869484919006512
Energy: 0.8684138128926191
Energy: 0.8687897953092913
Energy: 0.8681891422063781
Energy: 0.9175722735478514
Energy: 0.8684608007441992
Energy: 0.9615566605811164
Energy: 0.9015870512932412
Energy: 0.9014459709793867
Energy: 0.9603650528200814
Energy: 0.9024723720034553
Energy: 0.9176364178557088
Energy: 0.9132043072541866
Energy: 0.9174244318410899
Energy: 0.9145284450191459
Energy: 0.8931153392694725
Energy: 0.9397739269218427
Energy: 0.8713769314816964
Energy: 0.960268155467515
Energy: 0.9045679996997252
Energy: 0.8656841499003556
Energy: 0.8659398537416452
Energy: 0.9110358554594213
Energy: 0.8652781337416368
Energy: 0.9612181562318829
Energy: 0.921310633507442
Energy: 0.9198961708466118
Energy: 0.8913558510620815
Energy: 0.9205750080217895
Energy: 0.9159413313823509
Energy: 0.921666627142485
Energy: 0.8966732400953065
Energy: 0.9006374213954995
Energy: 0.9229787134369214
Energy: 0.8956439055228985
Energy: 0.9009854666008412
Energy: 0.9159027110218076
Energy: 0.8970098861744387
Energy: 0.8951149499854012
Energy: 0.9188405729291905
Energy: 0.9183316723701275
Energy: 0.8967776701410102
Energy: 0.9165549866299987
Energy: 0.9009609027640082
Energy: 0.8691266683822796
Energy: 0.9156181291883109
Energy: 0.9151287793932921
Energy: 0.8965691405691617
Energy: 1.0525169550010116
Energy: 0.898915442421284
Energy: 0.8994788777691787
Energy: 1.0241710425774768
Energy: 0.9001644796811483
Energy: 0.9017330049695634
Energy: 0.9582914369431915
Energy: 0.9014208240446867
Energy: 0.8682590907957174
Energy: 0.9387939477777505
Energy: 0.8948087893547245
Energy: 0.8941515995768435
Energy: 0.9568143833807775
Energy: 0.917811232682662
Energy: 0.8818386415984049
Energy: 0.8658566188499333
Energy: 0.961064201526336
Energy: 0.8829477238379352
Energy: 0.9608025196692138
Energy: 0.8927894430032675
Energy: 0.8688857467627973
Energy: 0.87361136794322
Energy: 0.8709534647780753
Energy: 0.8671725993734261
Energy: 1.0417422912512102
Energy: 0.8972606653284327
Energy: 0.8994687646661413
Energy: 0.9156672006711024
Energy: 0.898327828671791
Energy: 0.8976702277211734
Energy: 1.0404832827505226
Energy: 0.9175836449635114
Energy: 0.8985438403064929
Energy: 0.9227023791361767
Energy: 0.89761206326632
Energy: 0.8968298653301636
Energy: 0.9610898386475213
Energy: 0.9268546328003965
Energy: 0.8642264268132165
Energy: 0.9401397868665354
Energy: 0.9230078934754046
Energy: 0.8678734944506068
Energy: 0.9725716081440136
Energy: 0.865446106997319
Energy: 0.8652438701153304
Energy: 0.8706174796879789
Energy: 0.865626635523602
Energy: 0.864733569476566
Energy: 0.9128803177273476
Energy: 0.8990965809068809
Energy: 0.8959640592269682
Energy: 0.9146738871909537
Energy: 0.8987745623635718
Energy: 0.8935680769381262
Energy: 0.8961631485716042
Energy: 0.8955580877307435
Energy: 0.9199299250634605
Energy: 0.8984616502344727
Energy: 0.8950096182929868
Energy: 0.9190706731204058
Energy: 0.9134981530076569
Energy: 0.9154503927842517
Energy: 0.8940211989233148
Energy: 0.8962710140322689
Energy: 0.9165245774217867
Energy: 0.8943200557438322
Energy: 1.0386954388040557
Energy: 0.876132658220626
Energy: 0.8692652281804804
Energy: 0.9257248278886689
Energy: 0.9410389364196045
Energy: 0.9001914281123367
Energy: 1.0398909042184261
Energy: 0.8717758477575076
Energy: 0.8691209437205659
Energy: 0.9195764965612253
Energy: 0.873162750799486
Energy: 0.8688385288429301
Energy: 0.9150580017801954
Energy: 0.868715981385317
Energy: 0.864951552037961
Energy: 0.8942820373688563
Energy: 0.9683161923885572
Energy: 0.8960959202252851
Energy: 0.9249788255374011
Energy: 0.8649076279665214
Energy: 0.897849995183953
Energy: 0.8969770884070932
Energy: 0.8679488398834638
Energy: 0.8675533654069424
Energy: 0.867676117938171
Energy: 0.8685716081131667
Energy: 0.8685036606686424
Energy: 0.8692399810058321
Energy: 0.8685604090271772
Energy: 0.8677188470605056
Energy: 0.9578800104400298
Energy: 0.9026426044106391
Energy: 0.9143529159596034
Energy: 0.9218446472390123
Energy: 0.9017363105096241
Energy: 0.9169388931200545
Energy: 0.9136942964603144
Energy: 0.9171784245086207
Energy: 0.8941003216693995
Energy: 0.9200620545339032
Energy: 0.9401231387140215
Energy: 0.8947141282655415
Energy: 1.1139488199914052
Energy: 0.8686856145394706
Energy: 0.8647737381895086
Energy: 0.8786450473658148
Energy: 0.9471348570777604
Energy: 0.8650831269118432

minimum gb energy = 0.8642264268132165 eV
minimum distance =  2.31419196800249 Angstroms
sigma value = 67


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

Energy: 1.250052528099351
Energy: 0.9945595618793686
Energy: 0.9342344231688209
Energy: 0.9449231105717023
Energy: 0.9909678893405452
Energy: 0.9344568358721079
Energy: 0.9851233589269464
Energy: 0.9473202339990294
Energy: 0.9452114379526646
Energy: 0.9490778971182956
Energy: 0.9517624736359838
Energy: 0.9455619908311996
Energy: 0.9874030389775847
Energy: 0.9037974822738982
Energy: 0.949263836473012
Energy: 0.9466786105390889
Energy: 0.903368157446124
Energy: 0.9493779327355556
Energy: 0.9879281724654334
Energy: 0.9434295288166604
Energy: 0.9456314006075732
Energy: 0.9561229948796995
Energy: 0.9455606671266011
Energy: 0.9451933849383923
Energy: 0.9790584430891398
Energy: 0.948776769863453
Energy: 0.9486469354030339
Energy: 0.9800145837858186
Energy: 0.9487055952092037
Energy: 0.9492817837077793
Energy: 0.9801843082526666
Energy: 0.9425714886950058
Energy: 0.9528389564993099
Energy: 0.9810095158578278
Energy: 0.9419309753267311
Energy: 0.9539410915727486
Energy: 1.0474201014361306
Energy: 0.9477079435618965
Energy: 0.946601718532259
Energy: 0.9090496880911972
Energy: 0.9522080593230186
Energy: 0.9460541207649243

minimum gb energy = 0.903368157446124 eV
minimum distance =  2.35626351689244 Angstroms
sigma value = 3


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

Energy: 1.6049889642094044
Energy: 1.2004508704165446
Energy: 1.0869902767086763
Energy: 1.0547264268553023
Energy: 1.2007212918160424
Energy: 1.0931847790699873
Energy: 1.0703712307013236
Energy: 1.078020456499152
Energy: 1.038380724334628
Energy: 1.0820909226557454
Energy: 1.0864209299211878
Energy: 1.0378435494568445
Energy: 1.0402690070013123
Energy: 1.0426971826158795
Energy: 1.036497065219722
Energy: 1.0396891856366168
Energy: 1.0426832633983818
Energy: 1.033935449363719
Energy: 1.0355800419623409
Energy: 1.033994933029743
Energy: 1.0348252269507006
Energy: 1.035678650318787
Energy: 1.0335057404668286
Energy: 1.0341167306692607
Energy: 1.0394129565272652
Energy: 1.0282211689000222
Energy: 1.0278419899335782
Energy: 1.0408597063465879
Energy: 1.029457874993685
Energy: 1.0276629451673922
Energy: 1.0266482772568586
Energy: 1.0324593966785727
Energy: 1.0283669745567725
Energy: 1.0283362489350094
Energy: 1.0355886848046765
Energy: 1.0274781855044475
Energy: 1.032379755054318
Energy: 1.07603951682454
Energy: 1.076970863024772
Energy: 1.0424850930343204
Energy: 1.0962605293170762
Energy: 1.0733648400167892
Energy: 1.2078308017945432
Energy: 1.0923283366029322
Energy: 1.0669662350668239
Energy: 1.0283472256902029
Energy: 1.1022160282230204
Energy: 1.0656313015370233
Energy: 1.0324319296504456
Energy: 1.035599152045786
Energy: 1.073139082652233
Energy: 1.0461966436923202
Energy: 1.067701903702972
Energy: 1.073121045962358
Energy: 1.0272679454931084
Energy: 1.0249062385781558
Energy: 1.0252916670167735
Energy: 1.09689837366043
Energy: 1.0241954562539584
Energy: 1.0357019748995333
Energy: 1.1107297681994803
Energy: 1.0586179014160493
Energy: 1.0671263513220737
Energy: 1.1131285220474059
Energy: 1.0346288116098235
Energy: 1.0776612929804175
Energy: 1.111232031348737
Energy: 1.0296477162981177
Energy: 1.0279951230689564
Energy: 1.0842995962146948
Energy: 1.0335582868674158
Energy: 1.0279663997406892
Energy: 1.061172302961319
Energy: 1.0287135258651086
Energy: 1.0274667826416066
Energy: 1.072272253442873
Energy: 1.0294529611874765
Energy: 1.0286898575279402
Energy: 1.0503238842517106
Energy: 1.0341411797229672
Energy: 1.03042326441897
Energy: 1.0296251834970023
Energy: 1.0314772261558083
Energy: 1.0345611762472686
Energy: 1.1118082973962067
Energy: 1.0435313240940316
Energy: 1.0749439616023098
Energy: 1.0314319992916918
Energy: 1.038021762548
Energy: 1.0417082830339122
Energy: 1.1176519260303106
Energy: 1.0787704310094277
Energy: 1.0787605010741355
Energy: 1.082287120849613
Energy: 1.0824478174411964
Energy: 1.0788610931428209
Energy: 1.2027190510549093
Energy: 1.0311474677086
Energy: 1.0305094785805327
Energy: 1.2038266929009964
Energy: 1.0312577905707618
Energy: 1.0770835712407658
Energy: 1.0951859265906885
Energy: 1.0745757215721015
Energy: 1.0982152512041656
Energy: 1.1002527476662651
Energy: 1.0789632604427828
Energy: 1.049451460078553
Energy: 1.2465388175554595
Energy: 1.0344853143194395
Energy: 1.0348243015896252
Energy: 1.022282305266205
Energy: 1.0651835196785346
Energy: 1.0265038818008108
Energy: 1.155959077341281
Energy: 1.0363582933430113
Energy: 1.0372574665953826
Energy: 1.0228409360378423
Energy: 1.0469804015085842
Energy: 1.0263524872171956
Energy: 1.0423261514704958
Energy: 1.0591782473176283
Energy: 1.0609334172796727
Energy: 1.0523590815901376
Energy: 1.0560500577984955
Energy: 1.0483484545261874
Energy: 1.0426296792158445
Energy: 1.0589357349456032
Energy: 1.0476604618791976
Energy: 1.0490084100454544
Energy: 1.058288663375715
Energy: 1.0476947853973941
Energy: 1.0440762088976614
Energy: 1.0563865858446602
Energy: 1.0499964486170177
Energy: 1.0446465063673234
Energy: 1.0560270973219783
Energy: 1.056652379734436
Energy: 1.0523763623133455
Energy: 1.0396325443304295
Energy: 1.0405749088446166
Energy: 1.0525288286307624
Energy: 1.0396487748256509
Energy: 1.0619496460412725
Energy: 1.0318032250520077
Energy: 1.0670448235361814
Energy: 1.0652084692346446
Energy: 1.0858434996310924
Energy: 1.0724620323916496
Energy: 1.0329140438662217
Energy: 1.249339418217216
Energy: 1.03879855758854
Energy: 1.1257418193528896
Energy: 1.0338117071830184
Energy: 1.098529561505077
Energy: 1.0371355102999547
Energy: 1.0226340611597455
Energy: 1.0871066163525562
Energy: 1.064930547837646
Energy: 1.033117179583006
Energy: 1.109648118212063
Energy: 1.0334844980806888
Energy: 1.0320562483520372
Energy: 1.0664492406566066
Energy: 1.0604121950218648
Energy: 1.074224629449955
Energy: 1.036303896448869
Energy: 1.0298858395702073
Energy: 1.0351339596452553
Energy: 1.0436691882676545
Energy: 1.037949397743381
Energy: 1.0352428942303797
Energy: 1.0438009170424272
Energy: 1.03791522717124
Energy: 1.0278644473999379
Energy: 1.0270793809419019
Energy: 1.026596241488761
Energy: 1.0303999791217477
Energy: 1.0710966590695132
Energy: 1.0273575226285419
Energy: 1.0269929126826822
Energy: 1.0315602788467493
Energy: 1.030999206685132
Energy: 1.0289941858392722
Energy: 1.0300723593337964
Energy: 1.0293564422611612
Energy: 1.0368768357724294
Energy: 1.0737882011114053
Energy: 1.0650289263911408
Energy: 1.0459586753937804
Energy: 1.0807402735397393
Energy: 1.031276588022123
Energy: 1.2051038958897917
Energy: 1.0855012601729754
Energy: 1.086737917330869
Energy: 1.0296681620990242
Energy: 1.1124946586044884
Energy: 1.034968027867323
Energy: 1.1538826057360092
Energy: 1.032982850668696
Energy: 1.0288666651979204
Energy: 1.0275816114398437
Energy: 1.1035328359072474
Energy: 1.027115963773392
Energy: 1.0268309191829792
Energy: 1.0335704233337772
Energy: 1.0335820877251967
Energy: 1.0341778965575419
Energy: 1.0684650045112083
Energy: 1.0271310647861578
Energy: 1.1099984654629838
Energy: 1.0236764815649435
Energy: 1.0245842594947274
Energy: 1.111592543323282
Energy: 1.0235769139756246
Energy: 1.0349268690798143
Energy: 1.109864956421826
Energy: 1.0358758590093367
Energy: 1.0344700650729657
Energy: 1.0859756410746075
Energy: 1.0449755009741297
Energy: 1.0782552686276363
Energy: 1.0620719115665802
Energy: 1.0336088197522857
Energy: 1.032322921271788
Energy: 1.0218177179687398
Energy: 1.0352411941704867
Energy: 1.0310067741938422
Energy: 1.05606667448087
Energy: 1.0292720157070487
Energy: 1.0286790890160993
Energy: 1.0800484498893177
Energy: 1.0313077089851188
Energy: 1.026769651251979
Energy: 1.1096780439492506
Energy: 1.037029772895162
Energy: 1.0364990463691173
Energy: 1.027081061169079
Energy: 1.0361658522800332
Energy: 1.0384422340667698
Energy: 1.2020753212167004
Energy: 1.031293542796549
Energy: 1.0311629460872693
Energy: 1.076171599272779
Energy: 1.076200457344223
Energy: 1.0305915916318076
Energy: 1.2143506846296102
Energy: 1.0557620482387966
Energy: 1.029038356706797
Energy: 1.1352958018874395
Energy: 1.029652561180177
Energy: 1.051194140699612
Energy: 1.1572693471909932
Energy: 1.0300907030008597
Energy: 1.0285437689351482
Energy: 1.1697505236664831
Energy: 1.0300483414703594
Energy: 1.078932644189184
Energy: 1.043955644805911
Energy: 1.0348667158174598
Energy: 1.0353572879175883
Energy: 1.0322937072024316
Energy: 1.0466817843361051
Energy: 1.0382915737248875
Energy: 1.4130806821833721
Energy: 1.0546353031041311
Energy: 1.066150371330055
Energy: 1.0770555036340386
Energy: 1.054151527270078
Energy: 1.1128905727445744
Energy: 1.0431466402440646
Energy: 1.0521441114623842
Energy: 1.0549748559005003
Energy: 1.0538827494967993
Energy: 1.045596465342529
Energy: 1.0586824033978441
Energy: 1.0429276403591146
Energy: 1.048420598583909
Energy: 1.0490119818518773
Energy: 1.0476831560704163
Energy: 1.048482360981621
Energy: 1.0486810405805902
Energy: 1.0541558566993412
Energy: 1.0471155534573686
Energy: 1.0487749783439946
Energy: 1.0426341681417504
Energy: 1.0551394569872612
Energy: 1.0487429569745377
Energy: 1.0454839340428974
Energy: 1.0323578560461757
Energy: 1.0358810746826632
Energy: 1.045823230936764
Energy: 1.0311249149764818
Energy: 1.0343352846173113
Energy: 1.0371434519675007
Energy: 1.0300563968867646
Energy: 1.0310487586685915
Energy: 1.0443491178781288
Energy: 1.0296773577866372
Energy: 1.0327893062815643
Energy: 1.0432535491522972
Energy: 1.0288783196484426
Energy: 1.0478935082485483
Energy: 1.0605786658803986
Energy: 1.061827280145104
Energy: 1.0586337724020194

minimum gb energy = 1.0218177179687398 eV
minimum distance =  2.29762820027982 Angstroms
sigma value = 81


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

Energy: 1.6402771449003897
Energy: 1.1134006124325821
Energy: 0.998199475458447
Energy: 1.000282944148605
Energy: 1.113468864781543
Energy: 0.9988027362253183
Energy: 0.9705265422602428
Energy: 1.0115581654699743
Energy: 0.9753871802140814
Energy: 0.9751079004204846
Energy: 0.9772002702890394
Energy: 1.0052969719325167
Energy: 0.9725076534826761
Energy: 0.972543381005515
Energy: 0.9759501824664107
Energy: 1.0155065729082045
Energy: 0.9716615002232148
Energy: 0.9733918249565705
Energy: 0.973596386150115
Energy: 0.9774522266014445
Energy: 1.0090689862258373
Energy: 0.9737333424653524
Energy: 0.9671524149731141
Energy: 1.0090931859575114
Energy: 0.9749838624449855
Energy: 1.0052890089687343
Energy: 1.0094876955040313
Energy: 0.9752874438465342
Energy: 1.0091387604226445
Energy: 0.9714234407540895
Energy: 0.9733940523240979
Energy: 1.0098438609791154
Energy: 1.0103745424155652
Energy: 0.9714619876125866
Energy: 1.0094684559273535
Energy: 1.0107276834115286
Energy: 0.969724588461813
Energy: 0.9757936203958283
Energy: 1.0084704817381687
Energy: 1.0229726688182068
Energy: 0.9726268845628518
Energy: 1.0128664071829938
Energy: 1.1210245576888158
Energy: 1.0720669715345101
Energy: 1.0716994406588096
Energy: 0.9672024485889085
Energy: 1.104164844870179
Energy: 1.0350860718336552
Energy: 0.9709958475857267
Energy: 1.0091190985590384
Energy: 1.0045309909036064
Energy: 1.0341114163991985
Energy: 1.0120158154107557
Energy: 1.0056809623209608
Energy: 1.0307103285264414
Energy: 0.9724643435618916
Energy: 0.9676681791038765
Energy: 1.0308089772653564
Energy: 0.9688476161452627
Energy: 0.974470841801558
Energy: 0.9793054172981611
Energy: 0.9678283899328934
Energy: 0.9678946784682324
Energy: 0.9789019437028417
Energy: 1.0068258070663327
Energy: 1.0074626087909317
Energy: 0.9657763760901388
Energy: 1.0090898370766483
Energy: 1.0090396587857844
Energy: 0.966066607225589
Energy: 0.9786812436015229
Energy: 0.9731375440046794
Energy: 0.9660030917828352
Energy: 0.9747218236186448
Energy: 0.9714069276760018
Energy: 0.9690885659017427
Energy: 0.9761103242723443
Energy: 0.9756461660398952
Energy: 0.9760682150926974
Energy: 0.9730756355304157
Energy: 0.975992829778646
Energy: 0.9773162654448823
Energy: 0.9715334647652218
Energy: 1.0083674615637714
Energy: 1.11471118218385
Energy: 1.0266795722568025
Energy: 1.0031110825013778
Energy: 0.9727325243329695
Energy: 0.9727053793873789
Energy: 0.9731325595142258
Energy: 0.9764681204552795
Energy: 0.9748458400327857
Energy: 0.9712933556221367
Energy: 0.9771119814254523
Energy: 0.9780349465867003
Energy: 1.0107435923433075
Energy: 1.1128757942971887
Energy: 0.9677970266900494
Energy: 0.9687670488212025
Energy: 1.1128868511262056
Energy: 0.9672237430537741
Energy: 0.9977943432542284
Energy: 0.9764444707178017
Energy: 1.0139753957056772
Energy: 1.0068213249210278
Energy: 0.9784978343916526
Energy: 1.024262076166358
Energy: 1.0066222812345995
Energy: 1.1391502346983722
Energy: 0.9756045580279133
Energy: 0.9691923016390038
Energy: 0.9657472957422792
Energy: 0.974060561256413
Energy: 0.9693998911902864
Energy: 1.2229185317937172
Energy: 0.9740355943496303
Energy: 0.9712376882935407
Energy: 0.9673239168812597
Energy: 0.9815260995327508
Energy: 0.9703992229634517
Energy: 0.9734973723591601
Energy: 0.9768962998949545
Energy: 1.0060956646846877
Energy: 0.9795751218622467
Energy: 0.9762100191035217
Energy: 1.0066335600160798
Energy: 0.9773986214043782
Energy: 0.9655546158025482
Energy: 1.0730168391106016
Energy: 0.9766180325885779
Energy: 0.9659692593697505
Energy: 1.0699618815776628
Energy: 0.9708018892773946
Energy: 0.9719026069204822
Energy: 1.0235083826621143
Energy: 0.9722516668082575
Energy: 0.9779503130523302
Energy: 0.9746506273742467
Energy: 0.9721329118959373
Energy: 1.01418599066777
Energy: 1.0157240605015683
Energy: 0.9731389818695416
Energy: 0.9712094323272461
Energy: 1.016114492442796
Energy: 0.97776859425995
Energy: 1.0051861833059197
Energy: 0.9735537171149405
Energy: 0.9783451095809733
Energy: 1.0091298811931668
Energy: 0.9731483744635633
Energy: 1.1163598479267811
Energy: 1.0590643488827742
Energy: 1.0572166089979698
Energy: 1.0055353125263071
Energy: 1.0626518100824154
Energy: 1.0569383392034786
Energy: 1.1150104813042556
Energy: 1.0573038552840297
Energy: 1.0562848730786112
Energy: 1.003716766904391
Energy: 1.0591558425646646
Energy: 1.055833531739743
Energy: 0.9803946694553339
Energy: 0.9700705032699397
Energy: 1.0102925117468438
Energy: 0.979340950913137
Energy: 1.0052635324240409
Energy: 0.972914760311377
Energy: 0.9795043007605182
Energy: 0.9679961322760933
Energy: 0.967960244621253
Energy: 0.9719070347102077
Energy: 0.9674249834830346
Energy: 0.968741454481114
Energy: 0.9762082869173581
Energy: 0.9751164933236256
Energy: 1.0111467925514643
Energy: 0.978149534780602
Energy: 0.9771070507493295
Energy: 1.0120628951870854
Energy: 0.9667622568820867
Energy: 1.0320967631264484
Energy: 0.9714003455019354
Energy: 1.00608430437708
Energy: 0.9724443304479473
Energy: 1.0689561194695545
Energy: 0.9761805471122643
Energy: 0.972143071598516
Energy: 0.9738803056155413
Energy: 0.9768425295792529
Energy: 0.9713469297635805
Energy: 1.0095360408882315
Energy: 1.1142832116366939
Energy: 0.9708508697187176
Energy: 0.9721319441368841
Energy: 1.0126304783188007
Energy: 0.9792950528899093
Energy: 1.0063252060352872
Energy: 1.1134457919166356
Energy: 0.9730303043359926
Energy: 1.008910719498633
Energy: 1.0084071849786767
Energy: 0.9729203351036544
Energy: 1.0082354963690565
Energy: 1.115852653361487
Energy: 1.014652413781901
Energy: 1.0068882463246787
Energy: 1.0555355811790421
Energy: 1.003101672229773
Energy: 1.0069724296080633
Energy: 1.1236624367231207
Energy: 1.0118677357173618
Energy: 1.0125292668785812
Energy: 1.1235972044983062
Energy: 1.0037519204300214
Energy: 1.0605908961460941
Energy: 0.9716122758155268
Energy: 1.0109269013992648
Energy: 0.9719433927992213
Energy: 0.9771305087503097
Energy: 0.9770153026824837
Energy: 1.0053358235219363
Energy: 1.2225617175649284
Energy: 0.9732637951210861
Energy: 0.9980968774275595
Energy: 0.9779754222532506
Energy: 1.0007139453263516
Energy: 0.9958596729749929

minimum gb energy = 0.9655546158025482 eV
minimum distance =  2.33566432399483 Angstroms
sigma value = 43


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

Energy: 1.7443394758631423
Energy: 1.1565343316413461
Energy: 1.1074127731908978
Energy: 1.0517810434634522
Energy: 1.2087625991890003
Energy: 1.0462490348883542
Energy: 1.0111425925896012
Energy: 1.0027962706704914
Energy: 1.0028609124964618
Energy: 1.0542205465271064
Energy: 1.0066808496422728
Energy: 1.0119181586496084
Energy: 1.024291077079993
Energy: 0.9944197961932888
Energy: 0.9938589952745254
Energy: 1.0563689909939562
Energy: 0.996250809781757
Energy: 1.0129327103921797
Energy: 1.011758624401377
Energy: 0.9952876505140673
Energy: 1.011865092771705
Energy: 1.011850985009728
Energy: 0.9957975826137573
Energy: 1.012604409906246
Energy: 1.0115622203596542
Energy: 1.0383272755348973
Energy: 1.0478595246052802
Energy: 1.0117558345498776
Energy: 1.0523118659185091
Energy: 1.0518055022064037
Energy: 1.0125770136352945
Energy: 1.0519022392509636
Energy: 1.0394351417082874
Energy: 1.0564501626419052
Energy: 1.0248392423300552
Energy: 1.0471956684953676
Energy: 1.0123297280190198
Energy: 1.0117255819881885
Energy: 1.011858133733538
Energy: 1.0132368419133913
Energy: 1.0126982335784651
Energy: 1.0135003141946641
Energy: 1.1577758503552253
Energy: 1.0131630800158677
Energy: 1.0124402910776749
Energy: 1.0025909329046443
Energy: 1.0135489864576737
Energy: 1.0127305971995462
Energy: 1.0080431411215753
Energy: 1.0131809791806008
Energy: 1.0129513057439437
Energy: 1.0079027328031627
Energy: 1.012958855716606
Energy: 1.0263822656944346
Energy: 1.2121767781315496
Energy: 1.012972416421816
Energy: 1.0130180580549564
Energy: 1.1227918716715113
Energy: 1.0134975690622146
Energy: 1.013144937506356
Energy: 1.0011238690021387
Energy: 1.0373450009374792
Energy: 1.0423158711216653
Energy: 1.0072347153579302
Energy: 1.0169410081111472
Energy: 1.019408039647475
Energy: 1.1392989122355004
Energy: 1.0123969544438283
Energy: 1.0123549231779994
Energy: 1.0199084525621516
Energy: 1.01281383757946
Energy: 1.0121922017850837
Energy: 1.1771341402758615
Energy: 1.0122248831079343
Energy: 1.027720316399677
Energy: 0.9959664885863548
Energy: 1.0138903851764216
Energy: 1.029957429906302
Energy: 1.001353504498274
Energy: 1.0253115751838688
Energy: 1.018834343756499
Energy: 1.0075938418809494
Energy: 1.0120009215853079
Energy: 1.00324521701856
Energy: 1.003683767736425
Energy: 1.0026130387735648
Energy: 1.0131351813524438
Energy: 1.0147493672183108
Energy: 0.9937683459030725
Energy: 1.0158747271187916
Energy: 1.0018815775507024
Energy: 1.0560924330815207
Energy: 1.0140993711933637
Energy: 1.0004927883565486
Energy: 1.0130302089533918
Energy: 1.001200194182475
Energy: 1.002196781770487
Energy: 1.0038189683624512
Energy: 1.0038482887029576
Energy: 1.002278853410562
Energy: 1.0010049668151177
Energy: 1.004383343838164
Energy: 1.0010839229141018
Energy: 1.0120049813063572
Energy: 1.0029025179467852
Energy: 1.044129526830907
Energy: 1.061170760353674
Energy: 1.0006313196745997
Energy: 1.0095205669167375
Energy: 1.0009483359272844
Energy: 1.0009762770980173
Energy: 1.0129846500210269
Energy: 1.0010694964734121
Energy: 1.0121859104197244
Energy: 1.1268434222313681
Energy: 1.0005009947677566
Energy: 1.0005039381305583
Energy: 1.0126282770158315
Energy: 1.004298025727174
Energy: 1.0122684245337341
Energy: 1.0010427787462424
Energy: 1.015152378963461
Energy: 1.0043869248867001
Energy: 1.0380885968875795
Energy: 1.026873118288888
Energy: 1.0028286472886836
Energy: 1.1473850914751633
Energy: 1.0290697021726811
Energy: 1.031764408952545
Energy: 1.1474679795148908
Energy: 0.9973855111631897
Energy: 1.150901088417729
Energy: 1.039529261066747
Energy: 1.0135673502512097
Energy: 1.015278562534326
Energy: 1.01888787662051
Energy: 1.0537007804983434
Energy: 1.0333054255784886
Energy: 1.114027919686337
Energy: 1.0036139683501575
Energy: 1.0035088476086482
Energy: 1.0072615399951603
Energy: 1.0006563564127475
Energy: 1.023512477201874
Energy: 1.038701052129772
Energy: 1.0033151762999146
Energy: 1.0040025181519363
Energy: 1.0156714258108486
Energy: 1.0030178327186439
Energy: 1.0041764473465047
Energy: 1.0728919951271272
Energy: 1.0012052509304372
Energy: 1.0143210724868108
Energy: 1.0040041768812897
Energy: 1.00122890074312
Energy: 1.0052276084622513
Energy: 1.072332575125507
Energy: 1.013749299016183
Energy: 1.0136891349432853
Energy: 1.0673680503976595
Energy: 1.0014709903843442
Energy: 1.0137934964254662
Energy: 1.058098438804338
Energy: 1.0152583200251737
Energy: 1.0240675366007805
Energy: 1.0122698900473681
Energy: 1.0237399935577283
Energy: 1.0247730864837714
Energy: 1.0410853553407784
Energy: 1.012021656545611
Energy: 1.0119600351566669
Energy: 1.0412370915608427
Energy: 1.0013928726850907
Energy: 1.011633053104279
Energy: 1.011003440092787
Energy: 1.019564516951154
Energy: 1.0087435926723642
Energy: 1.0544902427765352
Energy: 1.0138122439396793
Energy: 1.0130234765699548
Energy: 0.99581281724891
Energy: 1.071628426307953
Energy: 1.0535960331708072
Energy: 1.0279044054959947
Energy: 1.0712387734357522
Energy: 0.9949889747658384

minimum gb energy = 0.9937683459030725 eV
minimum distance =  2.301830547918 Angstroms
sigma value = 57


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

Energy: 1.3387824708131966
Energy: 1.1265816050170863
Energy: 1.044268845093971
Energy: 0.9543449394408967
Energy: 1.6026365126140778
Energy: 1.0446995554056493
Energy: 1.00157172789599
Energy: 1.0039834407305968
Energy: 1.0116167121312016
Energy: 1.0177460902861266
Energy: 1.0169188489189098
Energy: 1.000628201995704
Energy: 1.0231251981787333
Energy: 0.9757363791399708
Energy: 0.9618201649730096
Energy: 1.0036184770840935
Energy: 0.9745246678690833
Energy: 0.9491560964916542
Energy: 1.001243225029145
Energy: 0.9613706185748054
Energy: 0.9484755004552823
Energy: 1.0023862357284037
Energy: 0.9494112654309232
Energy: 1.0022502452094149
Energy: 1.0023633457791952
Energy: 1.0007976109942445
Energy: 1.0087281882707988
Energy: 1.0027022232896885
Energy: 1.0075722010662225
Energy: 1.0012906979597194
Energy: 0.9523645542639653
Energy: 1.000100964858317
Energy: 0.9886196478840412
Energy: 0.9919143360788046
Energy: 1.0065077177414756
Energy: 0.9891878821275379
Energy: 1.0187779899080895
Energy: 1.0018788200747557
Energy: 1.0026709000431706
Energy: 1.0196898830592178
Energy: 1.0022575628975448
Energy: 1.0073254003233973
Energy: 0.9978761542037504
Energy: 1.001654381597864
Energy: 1.0015162546078566
Energy: 0.9860302974540498
Energy: 1.0026119270295697
Energy: 1.0040475035342447
Energy: 1.0160416142057507
Energy: 1.003101905094591
Energy: 1.003742483663507
Energy: 1.0166408976507617
Energy: 1.0027305213649937
Energy: 1.0008181474759563
Energy: 1.1887151933230966
Energy: 0.9955142061035253
Energy: 0.9951893834706437
Energy: 1.1236258668720291
Energy: 0.9968616469501945
Energy: 0.9965993386645027
Energy: 1.009742835838621
Energy: 0.9957037269770633
Energy: 1.0080547706191303
Energy: 1.019012172518963
Energy: 1.0016138177959344
Energy: 1.002442652981265
Energy: 0.9487521232427265
Energy: 1.0044632264892488
Energy: 1.0026140970289803
Energy: 0.9527723902401922
Energy: 1.0190192222146106
Energy: 1.041889518761619
Energy: 0.9497226950103902
Energy: 1.0029736786606507
Energy: 1.0411922396465372
Energy: 0.9753293898786202
Energy: 1.0060064734490157
Energy: 1.0416951772205738
Energy: 1.0046251080234556
Energy: 0.9979146083854484
Energy: 0.9986495966391503
Energy: 1.0164551640378152
Energy: 1.0173727759688493
Energy: 1.0089262152663339
Energy: 1.0147630279609083
Energy: 0.950737534882882
Energy: 0.9559631255926828
Energy: 1.012151095403169
Energy: 0.9496378828362809
Energy: 0.9547493720994558
Energy: 1.0016748251491794
Energy: 0.9989315840208182
Energy: 0.9981229133598161
Energy: 1.0028654912182136
Energy: 1.0179503692524128
Energy: 1.0064426223143348
Energy: 1.003062147537499
Energy: 0.9909070277689256
Energy: 1.0033498924958144
Energy: 1.0064074748917977
Energy: 0.99119158518641
Energy: 0.9966533586907913
Energy: 1.0038074935216752
Energy: 1.0100951723237286
Energy: 0.9900629323293785
Energy: 1.009207446789241
Energy: 1.0025108531156117
Energy: 0.9962918648323147
Energy: 1.019405098255947
Energy: 1.0031755477679876
Energy: 1.0034528014462185
Energy: 1.0202479397725446
Energy: 1.0021450585428762
Energy: 1.0080953739837502
Energy: 1.0176735234770935
Energy: 1.004634380083725
Energy: 1.0133003495307
Energy: 1.0199646240873774
Energy: 1.004284582675954
Energy: 1.0078535651883112
Energy: 1.0166807579887769
Energy: 1.0081881691332886
Energy: 0.9924701439202191
Energy: 1.0174872368389447
Energy: 1.008288692845228
Energy: 0.9999131930170336
Energy: 1.1878196927433398
Energy: 0.9944381303895826
Energy: 1.0014578782561767
Energy: 1.1242512357307515
Energy: 0.994964921250018
Energy: 1.000651116165198
Energy: 1.0049552811809686
Energy: 1.0060694170289965
Energy: 0.9945916836355653
Energy: 1.0162831679271298
Energy: 1.0170794363900728
Energy: 0.999545591492188
Energy: 0.9499642033625182
Energy: 1.0032336066860807
Energy: 1.04124850651343
Energy: 0.9762551009141203
Energy: 1.0063254597518951
Energy: 1.0414640047263366

minimum gb energy = 0.9484755004552823 eV
minimum distance =  2.28264714885074 Angstroms
sigma value = 17


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

Energy: 1.5431986097957993
Energy: 1.0168437161553718
Energy: 1.173342450602642
Energy: 0.9314177908099226
Energy: 1.0160975028273873
Energy: 0.9306531580383727
Energy: 1.1460353344809453
Energy: 1.033671068258628
Energy: 1.0092264506604705
Energy: 1.0607381207722861
Energy: 1.0337056744051805
Energy: 0.986850107121804
Energy: 1.2539323369154092
Energy: 0.9597013954576992
Energy: 0.9594536617158574
Energy: 1.0343519750177277
Energy: 0.9597457047230323
Energy: 0.932657631822114
Energy: 1.0311192285836548
Energy: 0.9462343749055873
Energy: 0.9324032501561227
Energy: 1.0305260872515465
Energy: 0.9567742089691164
Energy: 1.0258091823539697
Energy: 0.918386244465028
Energy: 0.946627606437385
Energy: 0.9598094435296274
Energy: 0.9193630436779129
Energy: 0.9461172373811584
Energy: 0.9600252466033744
Energy: 0.932441174413961
Energy: 0.9545679682667039
Energy: 0.959609471743116
Energy: 0.9109944290200046
Energy: 0.9043389574009204
Energy: 0.9440102403120537
Energy: 0.9043986673640804
Energy: 0.9031528332641121
Energy: 0.9036285686494403
Energy: 0.9040638917177372
Energy: 0.9042712347046706
Energy: 0.927661790378222
Energy: 0.9042782801662983
Energy: 0.9530344157349461
Energy: 0.953855044494484
Energy: 0.951016523948487
Energy: 0.9519906477904894
Energy: 0.9512426536560391
Energy: 0.9066645832369528
Energy: 0.9510343063621061
Energy: 0.9495021363773771
Energy: 0.9085930892882114
Energy: 0.951551316999889
Energy: 0.90686519869442
Energy: 0.903703957494323
Energy: 0.9602384029662508
Energy: 0.9598752434700162
Energy: 0.9039403591939885
Energy: 0.9601841348121398
Energy: 0.9472526363491988
Energy: 0.9055884731883522
Energy: 0.9606214867024142
Energy: 0.9596452201856558
Energy: 0.946379040697063
Energy: 1.0322187620734555
Energy: 0.9478328475717823
Energy: 1.028633720529714
Energy: 1.0308156410272469
Energy: 1.0310000933478844
Energy: 1.0283420017641083
Energy: 1.032860299474007
Energy: 1.033274988184962
Energy: 1.0291968732526353
Energy: 1.027899324229444
Energy: 1.0438114444027178
Energy: 0.9590732268872549
Energy: 1.0259142319044787
Energy: 1.0442904101591595
Energy: 1.0489260622111125
Energy: 1.0331613949364744
Energy: 1.0626257214621724
Energy: 1.0452122361811615
Energy: 1.0339856768587776
Energy: 0.9748780476131556
Energy: 1.0329181540283072
Energy: 1.0224509246747608
Energy: 1.0563828585484616
Energy: 1.0258241605318814
Energy: 1.021390540862005
Energy: 1.097014959230386
Energy: 1.0337672879166258
Energy: 1.0607081374187954
Energy: 1.000925123418514
Energy: 1.033518050589485
Energy: 1.060737733713066
Energy: 1.0329588553302178
Energy: 1.014822922088923
Energy: 1.0278235985043063
Energy: 1.130545052199338
Energy: 0.9311433012122429
Energy: 1.0354729108944998
Energy: 1.1307056590457476

minimum gb energy = 0.9031528332641121 eV
minimum distance =  2.28451777445134 Angstroms
sigma value = 17


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

Energy: 1.633926567898421
Energy: 1.0298488372118009
Energy: 0.9841234066631773
Energy: 0.9246445133585653
Energy: 1.029989946732517
Energy: 0.9830752511845925
Energy: 1.1006569500516035
Energy: 1.015137018805815
Energy: 0.9154589011345416
Energy: 1.0135574817628157
Energy: 1.0167358343870931
Energy: 0.95555517748259
Energy: 1.1980265557216336
Energy: 0.8909837814730965
Energy: 0.9335374513397857
Energy: 1.0140419878934306
Energy: 0.8917341084164322
Energy: 0.9288951544615268
Energy: 1.0183220008788416
Energy: 0.9283526921279253
Energy: 0.923812440027336
Energy: 1.0196228164812444
Energy: 0.8987417590854964
Energy: 0.9229931254341746
Energy: 0.8928163285033206
Energy: 0.9144269631774294
Energy: 0.9179469147628012
Energy: 0.8936585418159941
Energy: 0.9198234192504515
Energy: 0.9096927254292494
Energy: 0.938515128046112
Energy: 0.8782341859048718
Energy: 0.8895872810092107
Energy: 0.8906461716364332
Energy: 0.8788728385904664
Energy: 0.8904197884821401
Energy: 0.8181995190935198
Energy: 0.879179563442249
Energy: 0.8786325253100998
Energy: 0.8529649455096465
Energy: 0.8822722316019399
Energy: 0.8809361697855784
Energy: 0.8193800262615878
Energy: 0.877842459295896
Energy: 0.8821391219573358
Energy: 0.8655703525964981
Energy: 0.8709197994911534
Energy: 0.8820371873992714
Energy: 0.8203552561512693
Energy: 0.8807303072852604
Energy: 0.8206282720629621
Energy: 0.8219344220031878
Energy: 0.8524378197666805
Energy: 0.8197759168640051
Energy: 0.8199418909366278
Energy: 0.8758868282763013
Energy: 0.8761221085728584
Energy: 0.819637254758106
Energy: 0.8746175763146834
Energy: 0.8758312230029411
Energy: 0.8387111695886791
Energy: 0.818900442990725
Energy: 0.8741582366009133
Energy: 0.8741992244105381
Energy: 0.8198530285057269
Energy: 0.8742360462684012
Energy: 0.8226918772178508
Energy: 0.8201596489119021
Energy: 0.8193732958392802
Energy: 0.8216751233336417
Energy: 0.8201165773927473
Energy: 0.8595904917388653
Energy: 0.8786975869278184
Energy: 0.8847792032710273
Energy: 0.8824539389947158
Energy: 0.880262927434136
Energy: 0.8620249415141267
Energy: 0.8812499598657545
Energy: 0.8804989961644158
Energy: 0.8932832278984183
Energy: 0.8868121206135698
Energy: 0.8798209101802609
Energy: 0.8822152529542326
Energy: 0.878689042536037
Energy: 0.879007265662102
Energy: 0.8734862313774042
Energy: 0.8740929156946909
Energy: 0.8787525952971815
Energy: 0.8805881442421838
Energy: 0.9158384110302944
Energy: 1.0120521584798325
Energy: 0.9157813411394736
Energy: 0.9124397364437389
Energy: 0.9118480018772482
Energy: 0.894860068907388
Energy: 0.9122301694228557
Energy: 0.8194206333650091
Energy: 1.0154515075198665
Energy: 1.0152915696061775
Energy: 0.8375674119855215
Energy: 1.014838765449582
Energy: 0.8779556801464302
Energy: 0.8963385889174414
Energy: 1.0155761713718494
Energy: 1.018047838171295
Energy: 0.8957611475985082
Energy: 1.0145651439425136
Energy: 0.9103942894908339
Energy: 1.1209372749493636
Energy: 1.0172882457349879
Energy: 0.9558144746185031
Energy: 1.0153281104822252
Energy: 0.9128668087374097
Energy: 0.9127372606566454
Energy: 1.2003349752463293
Energy: 0.9044863669568682
Energy: 0.9034099577677949
Energy: 1.0148579187122986
Energy: 0.8785701416919588
Energy: 1.0193723589126962
Energy: 1.098430458511301
Energy: 0.9931534585248171
Energy: 1.0024873136364654
Energy: 1.015878233844997
Energy: 1.0163068012601266
Energy: 1.014185096136779
Energy: 0.8321132271639843
Energy: 1.0284265176372376
Energy: 1.1026698410707203
Energy: 0.9237791767025444
Energy: 1.0214519064721517
Energy: 0.9234978504993485
Energy: 0.8369356530895631
Energy: 1.0208440080102354
Energy: 1.0192369360867983
Energy: 0.8395944545869816
Energy: 1.0148376258110845
Energy: 0.9802251202467573
Energy: 1.1886050412352671
Energy: 0.9267410731419353
Energy: 0.9154686754011188
Energy: 1.0163062842174146
Energy: 0.8320146415602845
Energy: 0.992775454816573
Energy: 1.0144772668413546
Energy: 0.8968468769675967
Energy: 0.9338424098701941
Energy: 1.0146305333439287
Energy: 0.8945571878225813
Energy: 0.929788192704889
Energy: 0.897407011879241
Energy: 0.9174687531354656
Energy: 0.913688018884461
Energy: 0.8974490144222681
Energy: 0.8801004058795092
Energy: 0.9150815126485079
Energy: 0.9431918696623195
Energy: 0.9180130337174285
Energy: 0.9160286459331266
Energy: 0.8917316184397871
Energy: 0.9183088930553119
Energy: 0.8897590738865068
Energy: 0.8051538228614562
Energy: 0.8793816965837162
Energy: 0.8792198121198539
Energy: 0.8065873247063612
Energy: 0.8816170133537294
Energy: 0.8792101013784677
Energy: 0.8231093379823126
Energy: 0.8827014420694215
Energy: 0.8829934018927166
Energy: 0.8812219386186513
Energy: 0.8780238426376478
Energy: 0.8833487797037279
Energy: 0.8203276467501324
Energy: 0.8702737042505788
Energy: 0.8802404858840712
Energy: 0.8203374111462337
Energy: 0.8704667256271043
Energy: 0.8800530222888595
Energy: 0.8255750649178932
Energy: 0.8757883146235613
Energy: 0.8752929098451682
Energy: 0.8268350920409965
Energy: 0.876824957116977
Energy: 0.8529731482489351
Energy: 0.8209720371632481
Energy: 0.8761568663952635
Energy: 0.875155347431719
Energy: 0.8736451267897547
Energy: 0.8766148827135589
Energy: 0.8749796925545761
Energy: 0.8329637178663538
Energy: 0.8203350237006575
Energy: 0.8200190505147676
Energy: 0.8333900024892037
Energy: 0.8207490950585725
Energy: 0.8197894310656297
Energy: 0.9020885279480861
Energy: 0.8920988736990924
Energy: 0.8835192385051965
Energy: 0.8833975355085188
Energy: 0.8587485170357556
Energy: 0.8834350299384305
Energy: 0.8874972394652686
Energy: 0.8861653651009374
Energy: 0.8815782257028908
Energy: 0.8795750280549068
Energy: 0.8593676920009573
Energy: 0.8838352424605382
Energy: 0.8798754402880794
Energy: 0.8807969225745242
Energy: 0.9112802386501826
Energy: 0.8798072082785328
Energy: 0.8810945206237154
Energy: 0.9121112266273177
Energy: 1.1243424318280872
Energy: 0.9090120937377423
Energy: 0.9145245292451767
Energy: 0.8816232406115476
Energy: 0.9283216443926667
Energy: 0.9121770453855669
Energy: 0.8183095619475134
Energy: 1.014098805760259
Energy: 1.0138619974860095
Energy: 0.8850958847711072
Energy: 1.0163823537697088
Energy: 0.9145163364414517
Energy: 0.8846546652799284
Energy: 1.0104087930554533
Energy: 0.9214307349046638
Energy: 0.9158543381207737
Energy: 1.0112648343767172
Energy: 0.9037551784644392
Energy: 0.8782927159115416
Energy: 1.0137365779735705
Energy: 0.99306974862089
Energy: 0.8950476954402558
Energy: 1.0193578819510865
Energy: 0.9549387767492842
Energy: 1.1283946148253892
Energy: 0.8938561830273613
Energy: 1.0175559574819644
Energy: 1.02218247410295
Energy: 0.9105065566767654
Energy: 1.0137345291306328
Energy: 1.1874911313365006
Energy: 0.9610157332315585
Energy: 0.9154526752877375
Energy: 1.0172599782443168
Energy: 0.8942680382468013
Energy: 0.995951247794862
Energy: 0.8389986174829477
Energy: 1.0202252878747882
Energy: 1.0187291520800705
Energy: 0.8318479978367336
Energy: 1.018264414455338
Energy: 0.9780976763539002

minimum gb energy = 0.8051538228614562 eV
minimum distance =  2.30692360240909 Angstroms
sigma value = 57


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

Energy: 0.7663879099845363
Energy: 1.2872234900478208
Energy: 0.9451886814291681
Energy: 0.8496464246845492
Energy: 1.309566829512321
Energy: 0.9331925671162975
Energy: 0.9820504807825821
Energy: 0.8774026855918947
Energy: 0.8723936328852837
Energy: 0.9631041322832891
Energy: 0.9836190937142575
Energy: 0.9213680690369812
Energy: 1.1364472643586367
Energy: 0.8473220592794014
Energy: 0.8483873218720087
Energy: 0.9907524923140073
Energy: 0.8465169706874324
Energy: 0.9041106191552104
Energy: 0.9847575164456777
Energy: 0.8467203765778714
Energy: 0.8957313883842527
Energy: 0.9852026828408545
Energy: 0.8340635735399403
Energy: 0.9019122839935476
Energy: 0.8474668938711708
Energy: 0.877724446509519
Energy: 0.8719084669195662
Energy: 0.8482469543966268
Energy: 0.8599464185979356
Energy: 0.8696939203869004
Energy: 0.8328790512057958
Energy: 0.8574330953004966
Energy: 0.8466006513612333
Energy: 0.8236234508674668
Energy: 0.8576426641178081
Energy: 0.8475202638950176
Energy: 0.7862560179404242
Energy: 0.8659526838326526
Energy: 0.8570305649455933
Energy: 0.8330930939668916
Energy: 0.8646905213245286
Energy: 0.835162262261056
Energy: 0.9177417583923662
Energy: 0.8149480649495183
Energy: 0.8207851243795475
Energy: 0.791692559176014
Energy: 0.8143687375755954
Energy: 0.8319482991592759
Energy: 0.7913471203276831
Energy: 0.8196743545858536
Energy: 0.7872601535042242
Energy: 0.7932969114518774
Energy: 0.7960811460721345
Energy: 0.7871383868373046
Energy: 0.7875322443721127
Energy: 0.8170343145273901
Energy: 0.8182669325275421
Energy: 0.787502528248122
Energy: 0.8149984913392764
Energy: 0.819133164235035
Energy: 0.7650385500292759
Energy: 0.7546853675919627
Energy: 0.8220439711700388
Energy: 0.8126643264718056
Energy: 0.7560169633463898
Energy: 0.8097052150104863
Energy: 0.7921998996324972
Energy: 0.7655750556393428
Energy: 0.7550236077448903
Energy: 0.8051341774941704
Energy: 0.7621988892062329
Energy: 0.7956052391177243
Energy: 0.7543601152470397
Energy: 0.8489693486165689
Energy: 0.8455675483253025
Energy: 0.8145880205604642
Energy: 0.815153564926899
Energy: 0.8146094786464362
Energy: 0.7557603914337031
Energy: 0.812040896571166
Energy: 0.7549572527965281
Energy: 0.758086813815324
Energy: 0.8008759915640871
Energy: 0.755613588205378
Energy: 0.7555135589869167
Energy: 0.8142659657394259
Energy: 0.8108915523081243
Energy: 0.75529928172691
Energy: 0.8383585616957839
Energy: 0.8098069655745305
Energy: 0.8078837243412288
Energy: 0.7871039199814761
Energy: 0.817419747786678
Energy: 0.8468619277852651
Energy: 0.7876981502200848
Energy: 0.8154921473411875
Energy: 0.799861014363921
Energy: 0.7876299345512257
Energy: 0.7871640113385984
Energy: 0.815478163740344
Energy: 0.7966287542954738
Energy: 0.8201089040066062
Energy: 0.7591496488817162
Energy: 0.8232087738729399
Energy: 0.8391892160986134
Energy: 0.803831842760505
Energy: 0.8222595844797245
Energy: 0.8423488537387913
Energy: 0.8573487787985655
Energy: 0.8343840230831059
Energy: 0.8461421347851399
Energy: 0.8598006879357486
Energy: 0.8381001772373203
Energy: 0.8575179880974979
Energy: 0.8595728820970107
Energy: 0.8398934400466177
Energy: 0.844674551435664
Energy: 0.8986914871255066
Energy: 0.834803948948258
Energy: 0.8814002455275093
Energy: 1.064554661832662
Energy: 0.8805872911186197
Energy: 0.8802222188824792
Energy: 0.8829169794716787
Energy: 0.8629238912022462
Energy: 0.8802909424859968
Energy: 0.7558571225529571
Energy: 0.981865696751439
Energy: 0.8571622464686852
Energy: 0.8324669603402876
Energy: 0.994799755203858
Energy: 0.8794575493865352
Energy: 0.7942602170348684
Energy: 0.9909112658952749
Energy: 0.95021097082716
Energy: 0.7898815798353191
Energy: 0.9869525813926421
Energy: 0.9485844734705969
Energy: 1.060571722650276
Energy: 0.8579029108820058
Energy: 0.8675324282729954
Energy: 0.9153926617531453
Energy: 0.8918890272835692
Energy: 0.8803283353768326
Energy: 1.1417512085644856
Energy: 0.8629038481654335
Energy: 0.8632779101564646
Energy: 0.991689641375525
Energy: 0.8769131282228602
Energy: 0.975765383684306
Energy: 1.1352094503676804
Energy: 0.9714680953282806
Energy: 0.9525512314380805
Energy: 0.9582169630436436
Energy: 0.9592094192465203
Energy: 0.9298443333534686
Energy: 0.7631407018302542
Energy: 0.9914362057092362
Energy: 0.9033506071379981
Energy: 0.8494366082536366
Energy: 0.9919892861790041
Energy: 0.90463334648718

minimum gb energy = 0.7543601152470397 eV
minimum distance =  2.27801713444391 Angstroms
sigma value = 43


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

Energy: 0.6647888143468513
Energy: 1.003219252443277
Energy: 0.8423493938912152
Energy: 0.7387905555770484
Energy: 0.8987404761330914
Energy: 0.8066333554353811
Energy: 0.9235692545041515
Energy: 0.7781405231804177
Energy: 0.7560230351866185
Energy: 0.8577395286301188
Energy: 0.7791873766477886
Energy: 0.7516653785481218
Energy: 0.9882550686563403
Energy: 0.717892776633791
Energy: 0.7221794642935961
Energy: 0.87347265306075
Energy: 0.7174331192313897
Energy: 0.7437197992070516
Energy: 0.8672064858085488
Energy: 0.7217493526362148
Energy: 0.7448770558849953
Energy: 0.7794669218929543
Energy: 0.7399739837087023
Energy: 0.813875954784362
Energy: 0.7792803482632233
Energy: 0.7832812242381111
Energy: 0.7557512816258901
Energy: 0.7916453381998734
Energy: 0.7800067100399406
Energy: 0.7642610878345961
Energy: 0.6425554625877841
Energy: 0.7764304657731264
Energy: 0.7398787245765772
Energy: 0.7043898046706614
Energy: 0.7763718744712907
Energy: 0.7147277776511829
Energy: 0.9048999596944184
Energy: 0.7759819385082427
Energy: 0.7760282717945366
Energy: 0.7227274096589984
Energy: 0.7763282377920183
Energy: 0.7212322947540356
Energy: 0.9016878727953428
Energy: 0.6953397369223638
Energy: 0.7086283491595932
Energy: 0.717358776812617
Energy: 0.6950602494581795
Energy: 0.707989327529775
Energy: 0.7169186303257374
Energy: 0.7073793276846722
Energy: 0.7145186252306799
Energy: 0.7191456605522714
Energy: 0.6584329882756266
Energy: 0.7137755436450136
Energy: 0.7149849871793679
Energy: 0.698704789317806
Energy: 0.6988806866661489
Energy: 0.714585589304233
Energy: 0.6980064998716157
Energy: 0.6987827005994602
Energy: 0.6370007680734975
Energy: 0.6741793892920154
Energy: 0.698345310356595
Energy: 0.7126180246141445
Energy: 0.6743679756307589
Energy: 0.6910882880386174
Energy: 0.7144761837964231
Energy: 0.6744472965354797
Energy: 0.6739402338448871
Energy: 0.7212446229715779
Energy: 0.6749795291244736
Energy: 0.6937956506137843
Energy: 0.8612101304868927
Energy: 0.7125036653300348
Energy: 0.7235082956387779
Energy: 0.720389777483086
Energy: 0.7119238210725363
Energy: 0.7234663847092692
Energy: 0.6510696888621076
Energy: 0.676615625572485
Energy: 0.650598850729583
Energy: 0.6529920900469892
Energy: 0.6398011332884366
Energy: 0.6506895932367899
Energy: 0.6505195446638485
Energy: 0.6822821671043343
Energy: 0.6815330846757607
Energy: 0.6504204279694298
Energy: 0.6832056314321822
Energy: 0.681187489665453
Energy: 0.6440826433290887
Energy: 0.6396982349690837
Energy: 0.6410334475536588
Energy: 0.6974499969247158
Energy: 0.6397666060688125
Energy: 0.6835518527143665
Energy: 0.655154109949932
Energy: 0.6396809467981184
Energy: 0.6396774240646823
Energy: 0.697003507715077
Energy: 0.6397886199455485
Energy: 0.6854045675590933
Energy: 0.6392754001559137
Energy: 0.7102458848066079
Energy: 0.6853639448314877
Energy: 0.6403644276405448
Energy: 0.7082211297092991
Energy: 0.6848472102507029
Energy: 0.6400224636239542
Energy: 0.672938218286464
Energy: 0.639390443633451
Energy: 0.6416117690853139
Energy: 0.7716928552480795
Energy: 0.6399819643223645
Energy: 0.6400799790477792
Energy: 0.7106457659020349
Energy: 0.7030611799737625
Energy: 0.6399076588971088
Energy: 0.7096468747123036
Energy: 0.6924668601685
Energy: 0.6784142380357517
Energy: 0.6508658476307195
Energy: 0.6507387332423775
Energy: 0.7101811097685382
Energy: 0.6510910357976557
Energy: 0.6926264761783303
Energy: 0.6452056828217307
Energy: 0.650788732228897
Energy: 0.6513618600139025
Energy: 0.6872866993828349
Energy: 0.6509851485618312
Energy: 0.6884511370434091
Energy: 0.674015488349571
Energy: 0.6873439653924409
Energy: 0.686627555754643
Energy: 0.6741307508276045
Energy: 0.6878907879646844
Energy: 0.6867545013388006
Energy: 0.674545604654608
Energy: 0.701868474207097
Energy: 0.6744992662758703
Energy: 0.6767986626189116
Energy: 0.6521658677778723
Energy: 0.6743349131847899
Energy: 0.8778152036228882
Energy: 0.7066729156587845
Energy: 0.7187600699576102
Energy: 0.6963398413908023
Energy: 0.706429973438873
Energy: 0.7179784267181425
Energy: 0.8164458743247409
Energy: 0.7139952807870278
Energy: 0.713819558162004
Energy: 0.7193050775494575
Energy: 0.7141827564569199
Energy: 0.6981981132771145
Energy: 0.6404579780339779
Energy: 0.7139216636525183
Energy: 0.7266905347526911
Energy: 0.708207840285295
Energy: 0.7137569466319511
Energy: 0.7018606112676329
Energy: 0.7387953233114336
Energy: 0.7265432739329385
Energy: 0.7244270722159495
Energy: 0.7401494194569153
Energy: 0.7260183636970055
Energy: 0.7215370356151297
Energy: 0.7793427786941783
Energy: 0.7270920354284957
Energy: 0.7764286196113258
Energy: 0.7817336258200672
Energy: 0.6881613461541525
Energy: 0.7761827509632565
Energy: 0.9353573630058236
Energy: 0.7072062509709705
Energy: 0.7266544314162993
Energy: 0.7780966033874649
Energy: 0.7072622804316522
Energy: 0.727560974375431
Energy: 0.9328894097236498
Energy: 0.7779363399441805
Energy: 0.7792051827993426
Energy: 0.778066912923801
Energy: 0.7780055397828798
Energy: 0.7827806423229003
Energy: 0.6522879856367321
Energy: 0.873317810593028
Energy: 0.7530478522069923
Energy: 0.7156582370890125
Energy: 0.8734190567469347
Energy: 0.7332955188834408
Energy: 0.8016870842220364
Energy: 0.8482965793839353
Energy: 0.8043518893809379
Energy: 0.7793156960486679
Energy: 0.8577607647299365
Energy: 0.8012686144102612
Energy: 0.9339714501365627
Energy: 0.7568185032199769
Energy: 0.7644827602860967
Energy: 0.779576184226216
Energy: 0.7815763592077688
Energy: 0.8415282247256114
Energy: 0.9883120274925105
Energy: 0.7387034776260083
Energy: 0.7827822299356164
Energy: 0.8734982738507456
Energy: 0.7383210284954892
Energy: 0.7863579267013516
Energy: 0.9488049962818631
Energy: 0.8265603402873526
Energy: 0.804856774209729
Energy: 0.8554358044429667
Energy: 0.8577093177664206
Energy: 0.7536975434940434

minimum gb energy = 0.6370007680734975 eV
minimum distance =  2.33551893395582 Angstroms
sigma value = 81


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

Energy: 0.07025182579889509
Energy: 0.07296478580673513
Energy: 0.07020855433268985
Energy: 0.07345799512838935
Energy: 0.07341350897587152
Energy: 0.07071730033188735
Energy: 0.12445174486954956
Energy: 0.07286258795555786
Energy: 0.07296866864497352
Energy: 0.12286726624004421
Energy: 0.07850247800919088
Energy: 0.07323717710431728
Energy: 0.1232390569249063
Energy: 0.07073902300222472
Energy: 0.07064757165047954
Energy: 0.12298968447061737
Energy: 0.07068156785567843
Energy: 0.12204906835814944
Energy: 0.07686866833850793
Energy: 0.07085336119155736
Energy: 0.07073222464566371
Energy: 0.07571980687776514
Energy: 0.07063197684478241
Energy: 0.12251884603918708
Energy: 0.12181443395131317
Energy: 0.12302486413286678
Energy: 0.1229116315172917
Energy: 0.12322367257885579
Energy: 0.12268706571240531
Energy: 0.12368749567284297
Energy: 0.07132868378182709
Energy: 0.07333926535149636
Energy: 0.07053470318746606
Energy: 0.07332487502628392
Energy: 0.0729781174051817
Energy: 0.07086298921759272
Energy: 0.12333724304786671
Energy: 0.07277814067507714
Energy: 0.07306752104273112
Energy: 0.12329009467427313
Energy: 0.07266685734818426
Energy: 0.07320481366863307
Energy: 0.1232545846188625
Energy: 0.07057712598059578
Energy: 0.07110313192547807
Energy: 0.12318894388553692
Energy: 0.07086006931783694
Energy: 0.12347333002927942
Energy: 0.07445687203806771
Energy: 0.0702119748299156
Energy: 0.12211845995011214
Energy: 0.07590827378016068
Energy: 0.0709853315437613
Energy: 0.12475040337067754
Energy: 0.07082343779652389
Energy: 0.1226459039178416
Energy: 0.12250103521029708
Energy: 0.07038962913293033
Energy: 0.12240616032590722
Energy: 0.12270209755430167

minimum gb energy = 0.07020855433268985 eV
minimum distance =  2.46441372982201 Angstroms
sigma value = 3


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

Energy: 0.8349272371600583
Energy: 0.8153853741783625
Energy: 0.8249797191733603
Energy: 0.7447660645614411
Energy: 0.8121966731909843
Energy: 0.7460995779288196
Energy: 0.8381874375842663
Energy: 0.8127090141672743
Energy: 0.8224625911747434
Energy: 0.8126048826592643
Energy: 0.8149045390946461
Energy: 0.8208042602931378
Energy: 0.8330778789692372
Energy: 0.7642932663456394
Energy: 0.7636165744816327
Energy: 0.8139353117406681
Energy: 0.7641455657031416
Energy: 0.8091296377918482
Energy: 0.774346924722305
Energy: 0.7653330995590223
Energy: 0.7645715069757231
Energy: 0.7740523223549586
Energy: 0.698509487010152
Energy: 0.812370749091598
Energy: 0.7073423148994182
Energy: 0.8233050932340278
Energy: 0.82208406484107
Energy: 0.7073390628689351
Energy: 0.8137849364313848
Energy: 0.8226694308310063
Energy: 0.7887073303058079
Energy: 0.8208492644195734
Energy: 0.7742659409391812
Energy: 0.6573084275496085
Energy: 0.8203758330855168
Energy: 0.7009029711336271
Energy: 0.77462716093243
Energy: 0.7189754240806654
Energy: 0.7198104938227526
Energy: 0.7755057350567947
Energy: 0.7218339494546298
Energy: 0.7831776176128618
Energy: 0.7752604829158173
Energy: 0.7243432556947663
Energy: 0.7076902464792023
Energy: 0.7752541516489804
Energy: 0.6269985278410274
Energy: 0.7094249636528517
Energy: 0.7349107341612179
Energy: 0.7075438612439661
Energy: 0.7833823279221694
Energy: 0.8063730678533946
Energy: 0.6615775430888887
Energy: 0.7810359848401399
Energy: 0.669514849466848
Energy: 0.7157052994851619
Energy: 0.715658269968723
Energy: 0.668646047413416
Energy: 0.7211344153544625
Energy: 0.7187292276546902
Energy: 0.7738586453213463
Energy: 0.7209155892462413
Energy: 0.720437396870192
Energy: 0.6354503993744013
Energy: 0.7781536863961077
Energy: 0.6636775215524036
Energy: 0.666915766888698
Energy: 0.7206426536667612
Energy: 0.719191808363557
Energy: 0.6669841637261735
Energy: 0.6701006536938622
Energy: 0.6669548217831983
Energy: 0.6692582548139536
Energy: 0.6155060816427901
Energy: 0.6699047147672123
Energy: 0.6694228708937766
Energy: 0.6151352173136679
Energy: 0.6700553481520327
Energy: 0.764606818254867
Energy: 0.7187048140065913
Energy: 0.6681930738857098
Energy: 0.6721284354378929
Energy: 0.635244654357205
Energy: 0.6704615423614081
Energy: 0.7599807833167963
Energy: 0.6344393344466878
Energy: 0.6341790889767858
Energy: 0.7596977017162104
Energy: 0.6401006953719872
Energy: 0.6353797870372959
Energy: 0.7600893761206737
Energy: 0.635760114528286
Energy: 0.637275406196374
Energy: 0.6198669221448242
Energy: 0.7539109226192755
Energy: 0.6397288761647649
Energy: 0.6182554144074925
Energy: 0.6363554193102241
Energy: 0.737340435686891
Energy: 0.6179880185909999
Energy: 0.6367857182015755
Energy: 0.6176793452762565
Energy: 0.6193049780848829
Energy: 0.689673561714585
Energy: 0.6879078544267547
Energy: 0.619343105757719
Energy: 0.6196585773824616
Energy: 0.6895201296399512
Energy: 0.7496019628093606
Energy: 0.6944227523811984
Energy: 0.7396573354895024
Energy: 0.6200343109815057
Energy: 0.6184640114595029
Energy: 0.7309883491349282
Energy: 0.7525929725838146
Energy: 0.6179792439530808
Energy: 0.617695594855589
Energy: 0.7545413990250226
Energy: 0.6241248706970801
Energy: 0.6186404424194595
Energy: 0.7533960972526826
Energy: 0.7383033836891748
Energy: 0.7394160929562241
Energy: 0.7535103919082367
Energy: 0.741103485675538
Energy: 0.7366026605995011
Energy: 0.6375479819706147
Energy: 0.7389031405671539
Energy: 0.6360447490501083
Energy: 0.6350840739057315
Energy: 0.7395535196205736
Energy: 0.6345045470701619
Energy: 0.6349200396605164
Energy: 0.669670645227631
Energy: 0.6707895276486584
Energy: 0.634963832639411
Energy: 0.6704268133851754
Energy: 0.6714659462318678
Energy: 0.7636852016779501
Energy: 0.6699224070506409
Energy: 0.6685066104844524
Energy: 0.6218508403291302
Energy: 0.6684786626649534
Energy: 0.6482614979260973
Energy: 0.7071455098082531
Energy: 0.6669997509285182
Energy: 0.6668128116651912
Energy: 0.7057150033562836
Energy: 0.6676009347254535
Energy: 0.6679365293920609
Energy: 0.7829897389052326
Energy: 0.6877333111069952
Energy: 0.6851820600517455
Energy: 0.7783774357775294
Energy: 0.7410895214778934
Energy: 0.7193692042416125
Energy: 0.7203637660822587
Energy: 0.6859694008766271
Energy: 0.6840166037326008
Energy: 0.7191738576353646
Energy: 0.7867927477852429
Energy: 0.7182041849142756
Energy: 0.6840001053657614
Energy: 0.7842247445570195
Energy: 0.7849058437253017
Energy: 0.6841003102883737
Energy: 0.8179650994788186
Energy: 0.7841311421619902
Energy: 0.7811592132453709
Energy: 0.7756816780650547
Energy: 0.7416458825113561
Energy: 0.6407056807295993
Energy: 0.7754134844609996
Energy: 0.6808776302610134
Energy: 0.7165751628037742
Energy: 0.7833205168332177
Energy: 0.7843138434313722
Energy: 0.7165990576488904
Energy: 0.7752819776704652
Energy: 0.7849975027917353
Energy: 0.7849538455702858
Energy: 0.6795178997055974
Energy: 0.7307273467414136
Energy: 0.7848439485113479
Energy: 0.6359578726433391
Energy: 0.7324109174055049
Energy: 0.8576736357748911
Energy: 0.7273852458899214
Energy: 0.817602492003957
Energy: 0.8105509621517687
Energy: 0.678439201787009
Energy: 0.7526098094535405
Energy: 0.7275421286299047
Energy: 0.7738515753286356
Energy: 0.7746408481834307
Energy: 0.7276253283847219
Energy: 0.7814698987855881
Energy: 0.7746531544808706

minimum gb energy = 0.6151352173136679 eV
minimum distance =  2.27296374791332 Angstroms
sigma value = 67


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

Energy: 1.003350986891678
Energy: 1.0009382112073137
Energy: 0.9798116330097202
Energy: 0.7949886670568561
Energy: 1.113186130954812
Energy: 0.9826191396254786
Energy: 1.001278522178789
Energy: 0.9755445011868061
Energy: 0.9626048456898335
Energy: 0.9631782843608759
Energy: 0.9701114490248104
Energy: 0.9646885965553323
Energy: 0.9869689436490611
Energy: 0.8870184283777445
Energy: 0.9632076362568724
Energy: 0.9590896624945003
Energy: 0.8905439082227123
Energy: 0.9658341489401591
Energy: 0.9004475949270425
Energy: 0.9604967167107398
Energy: 0.9638244654632371
Energy: 0.9015262100870859
Energy: 0.901874231783253
Energy: 0.9642219823131701
Energy: 0.8942396725473111
Energy: 0.9734008339632662
Energy: 0.9676034356048928
Energy: 0.8943667073031417
Energy: 0.9687969549299328
Energy: 0.9665914670376259
Energy: 0.9248394853850229
Energy: 0.9606595101756293
Energy: 0.8932437525722741
Energy: 0.8211186124079418
Energy: 0.9598887621371214
Energy: 0.89384847764081
Energy: 0.8957309230218434
Energy: 0.9079440197290102
Energy: 0.9002317704513095
Energy: 0.895969574179584
Energy: 0.9035620110069019
Energy: 0.8296250851105313
Energy: 0.8984832024650108
Energy: 0.7855473097410969
Energy: 0.8170008632701651
Energy: 0.8977449555389934
Energy: 0.7778487873227892
Energy: 0.8284941121943674
Energy: 0.9291730359916794
Energy: 0.901983600442625
Energy: 0.8234031221783934
Energy: 0.8243892657327443
Energy: 0.8188376617707364
Energy: 0.8267188595368398
Energy: 0.8590430153803941
Energy: 0.824552306273728
Energy: 0.8209935162521985
Energy: 0.9364772336420144
Energy: 0.8221548639083
Energy: 0.8199341063079955
Energy: 0.9322165474581867
Energy: 0.8202652074859381
Energy: 0.8188745547457004
Energy: 0.779642683892111
Energy: 0.9129944843396728
Energy: 0.8764774504132455
Energy: 0.7784839256163709
Energy: 0.8282934172851413
Energy: 0.8209122731231808
Energy: 0.7785174165818021
Energy: 0.8233822784265962
Energy: 0.7766043186063946
Energy: 0.7781161609465979
Energy: 0.7888133932023339
Energy: 0.7802365291107494
Energy: 0.7776738513995926
Energy: 0.7818220545645056
Energy: 0.7764209469732045
Energy: 0.9086961658815346
Energy: 0.7811590884288593
Energy: 0.7800315598086665
Energy: 0.7791879044481262
Energy: 0.850955467132377
Energy: 0.7818147830657635
Energy: 0.9089925451316521
Energy: 0.7825241965767159
Energy: 0.7786904616846615
Energy: 0.910150074147622
Energy: 0.7822503072313474
Energy: 0.7786402407464796
Energy: 0.9095800628040109
Energy: 0.8554021856696148
Energy: 0.9062882418531869
Energy: 0.8572887664207597
Energy: 0.8562911993396695
Energy: 0.8212956923897541
Energy: 0.8256782596374707
Energy: 0.7762255209191247
Energy: 0.7984894138556327
Energy: 0.8201675822186384
Energy: 0.7683889345979584
Energy: 0.819499851814778
Energy: 0.8207819437855868
Energy: 0.8218545392249065
Energy: 0.8986529344924593
Energy: 0.8208227463622723
Energy: 0.9033560816800146
Energy: 0.8193271567872078
Energy: 0.9077587506713898
Energy: 0.928155655891432
Energy: 0.8478196480816971
Energy: 0.7918259332147235
Energy: 0.9287489271355277
Energy: 0.847369458520105
Energy: 0.8198754153459162
Energy: 0.9014210727980034
Energy: 0.8989037113701887
Energy: 0.9010583057545353
Energy: 0.9019688439657173
Energy: 0.897746172895309
Energy: 0.9042114626440508
Energy: 0.9201644192530506
Energy: 0.9442009240929887
Energy: 0.9044667915157572
Energy: 0.9220486440219601
Energy: 0.9431327782402938
Energy: 0.9865247733210356
Energy: 0.7824974902214651
Energy: 0.9434890617267949
Energy: 0.9602544135842489
Energy: 0.7870302312777812
Energy: 0.9426783434946281
Energy: 0.9342765834009579
Energy: 0.904594483765057
Energy: 0.8952370122602631
Energy: 0.9364653219345057
Energy: 0.9002094642727061
Energy: 0.8985714105241649

minimum gb energy = 0.7683889345979584 eV
minimum distance =  2.26936541970952 Angstroms
sigma value = 33


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

Energy: 1.1370757473084214
Energy: 1.0921288494439214
Energy: 1.1316503201587313
Energy: 0.9193631716588221
Energy: 1.095207497632748
Energy: 1.0520301931710971
Energy: 1.1176255962710344
Energy: 1.06435431435543
Energy: 0.9704914590844033
Energy: 0.96634933920028
Energy: 0.9748007481087939
Energy: 0.9653620429137193
Energy: 1.0962630090509797
Energy: 0.9609096549738859
Energy: 1.0228659736159906
Energy: 0.975555203785941
Energy: 0.9625352910990678
Energy: 1.0479025609913801
Energy: 0.9681626352211489
Energy: 1.023003345938067
Energy: 1.0250449246868032
Energy: 0.9681510523722023
Energy: 0.9660332230320822
Energy: 1.047896149901535
Energy: 0.9688980384440012
Energy: 0.9749825109974751
Energy: 0.8905155482826337
Energy: 0.9691780775557038
Energy: 0.9737252049484817
Energy: 0.968198928707463
Energy: 1.0467715809933253
Energy: 0.8895138909564075
Energy: 0.8910472734741306
Energy: 0.8840384030908884
Energy: 0.8953413138984271
Energy: 0.8896148417177447
Energy: 0.9699987828057908
Energy: 0.9754980628892309
Energy: 0.8901799888424781
Energy: 0.9692280244911621
Energy: 0.8914872171281969
Energy: 0.9670280776074417
Energy: 0.9701674561401699
Energy: 0.8879304878231277
Energy: 0.8903034697210113
Energy: 0.9700106213261764
Energy: 0.8955674471548196
Energy: 0.9673305170566446
Energy: 1.0122705669492795
Energy: 0.9792173653855721
Energy: 0.9701272719039146
Energy: 0.9009848670075306
Energy: 0.8911922779336569
Energy: 0.9698680625022827
Energy: 1.0118136351613287
Energy: 0.8907158572158917
Energy: 0.8899652147536556
Energy: 1.0137985466806334
Energy: 0.890806516430426
Energy: 0.8902473107419149
Energy: 1.0134473276680083
Energy: 0.89005026546338
Energy: 0.8901515210094246
Energy: 0.8935155529193541
Energy: 0.9554444959281735
Energy: 0.8903776253121746
Energy: 0.8894086439319172
Energy: 0.889810078436361
Energy: 0.8956023760008182
Energy: 0.8894176865445875
Energy: 0.906267997761184
Energy: 0.889350308741524
Energy: 0.8889986001610383
Energy: 0.9688585157845682
Energy: 0.9366078356350276
Energy: 0.8891091760801674
Energy: 0.8988507030137795
Energy: 0.8892640896912544
Energy: 1.0156729194409695
Energy: 0.9680386516116073
Energy: 0.9669807639005847
Energy: 0.8710634944796105
Energy: 1.0108515721304685
Energy: 0.8660799943125763
Energy: 0.9487564670524973
Energy: 0.9694121276064555
Energy: 0.9652435544804011
Energy: 0.9517514950142898
Energy: 0.9697261071086457
Energy: 0.9667537192530975
Energy: 0.9684625452995396
Energy: 0.9886639523088423
Energy: 0.9910971032709631
Energy: 0.9699451049902865
Energy: 0.9063038186764982
Energy: 0.964737994904697
Energy: 1.0982203495331275
Energy: 0.9062196595967517
Energy: 0.9082086056985393
Energy: 0.97522091349608
Energy: 0.9134599245432392
Energy: 0.9496019810021622
Energy: 1.0998106560197087
Energy: 0.9700824880450518
Energy: 0.8986643282346911
Energy: 0.9666957691274094
Energy: 0.970770871087707
Energy: 1.05096117748984
Energy: 1.0726610964334444
Energy: 0.9758679548638183
Energy: 1.0874092853550072
Energy: 0.9024955024071355
Energy: 0.975623607363997
Energy: 0.8635098657813002
Energy: 1.01738610584165
Energy: 0.9747970618537513
Energy: 1.0577822600892495
Energy: 1.0191303787031833
Energy: 0.973693634482037
Energy: 0.9681919717457386
Energy: 1.099748583428044
Energy: 1.0252562548435133
Energy: 1.0262109055344808
Energy: 0.9745513246604169
Energy: 0.9781057422798167
Energy: 1.048276707141035
Energy: 0.9750451556463641
Energy: 0.9606734629429561
Energy: 1.0235428314074362
Energy: 0.9767561678298533
Energy: 0.9615983550225248
Energy: 1.0479890816262534
Energy: 0.9688644200021187
Energy: 0.9771104060846374
Energy: 0.9008106286061771
Energy: 0.9689094845169568
Energy: 0.9746295796397728
Energy: 0.9658406561019157
Energy: 1.046682529551501
Energy: 0.891963404395354
Energy: 0.8926471635181634
Energy: 0.885498520972712
Energy: 0.8914266997031765
Energy: 0.9611364717270179
Energy: 0.9692438579566578
Energy: 0.974153252233985
Energy: 0.9743951987554181
Energy: 0.9691758509768712
Energy: 0.8927820300102477
Energy: 0.9668328222645861
Energy: 0.9697616019648394
Energy: 0.8875372274665136
Energy: 0.8901718624378215
Energy: 0.9697612066062323
Energy: 0.8947426568370486
Energy: 0.9676476056589366
Energy: 1.011939266683395
Energy: 0.8914996426504637
Energy: 0.8911807600620951
Energy: 0.9031541165561092
Energy: 0.913234209668952
Energy: 0.9033875858231786
Energy: 1.0111002729649021
Energy: 0.8906699336873078
Energy: 0.8900060476823627
Energy: 1.0135017998223488
Energy: 0.8914100737359717
Energy: 0.8901292546266636
Energy: 1.013407280621317
Energy: 0.9611505236450858
Energy: 0.8913623518593452
Energy: 0.8952013322718307
Energy: 0.8917056677891735
Energy: 0.8904745392496054
Energy: 0.889074783560022
Energy: 0.8905603186744036
Energy: 0.8916265058216098
Energy: 0.8891436063480641
Energy: 0.9098566976627567
Energy: 0.8891543641083712
Energy: 0.8924804391097645
Energy: 0.8994110122199497
Energy: 0.8903608006572694
Energy: 0.8898973568040196
Energy: 0.9690371483521939
Energy: 0.8895552292692815
Energy: 1.017690602756699
Energy: 0.9674838119936432
Energy: 0.9674395673728211
Energy: 0.8708209187829242
Energy: 1.014855472006351
Energy: 0.865780388352722
Energy: 1.0169365019064946
Energy: 0.9695297858377556
Energy: 0.9656373130631323
Energy: 1.019778564327284
Energy: 0.970530135334214
Energy: 0.9392003222368782
Energy: 0.9671486442550166
Energy: 0.987130762639335
Energy: 0.964706441041794
Energy: 0.9677735406172928
Energy: 0.9068097736950853
Energy: 0.9662690315103628
Energy: 1.1468843338029417
Energy: 0.9057692955968204
Energy: 0.9078555204214782
Energy: 0.9769946357366389
Energy: 0.8717111513573346
Energy: 1.033767681881198
Energy: 1.1030121298774327
Energy: 0.968921787940273
Energy: 1.0494248706921852
Energy: 0.9765842025244379
Energy: 0.9710605211986777
Energy: 0.9659147800742444
Energy: 1.073905947916098
Energy: 0.976857739292125
Energy: 1.0870474456247183
Energy: 0.9105245203877113
Energy: 0.9769007949830825
Energy: 0.8633228468272348

minimum gb energy = 0.8633228468272348 eV
minimum distance =  2.28712403000174 Angstroms
sigma value = 41


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

Energy: 1.2478294187639383
Energy: 1.1368752821901715
Energy: 1.0374658797984215
Energy: 1.0351169481850497
Energy: 1.1371609098012898
Energy: 1.04037392414743
Energy: 1.227117688125443
Energy: 1.0897678580491172
Energy: 1.0898989005620556
Energy: 1.0871594134347264
Energy: 1.0893799354925364
Energy: 1.064306952383001
Energy: 1.2299724204369482
Energy: 1.0404289410156013
Energy: 1.0364026087577527
Energy: 1.0875210774179986
Energy: 1.0749347991969473
Energy: 1.0380192248490605
Energy: 1.0838738232825205
Energy: 1.0400302089626356
Energy: 1.037137761043617
Energy: 1.0839950997126788
Energy: 1.0417251413897741
Energy: 1.0526745882574131
Energy: 1.0671084624508542
Energy: 1.0905048446838348
Energy: 1.0631297761795009
Energy: 1.0678704560903538
Energy: 1.0900257754786435
Energy: 1.0418658825967808
Energy: 1.1602499100839174
Energy: 1.0438510639571768
Energy: 1.0414993775868482
Energy: 1.0463546734650293
Energy: 1.1412573818843628
Energy: 1.0405176972349375
Energy: 1.0655345109827106
Energy: 1.0417104550181278
Energy: 1.0625418021194326
Energy: 1.065717587058697
Energy: 1.0409553081163938
Energy: 1.0448831865048742
Energy: 1.0717657899890385
Energy: 1.0429796685110324
Energy: 1.0418184883275579
Energy: 1.0731431844629409
Energy: 1.0515380438794746
Energy: 1.0675440798933282
Energy: 1.1294074854832927
Energy: 1.0438471149307138
Energy: 1.0395984169913939
Energy: 1.1314608899175331
Energy: 1.0624692437903276
Energy: 1.0398738403280836
Energy: 1.0948792573602748
Energy: 1.0737184877126564
Energy: 1.0840629427179256
Energy: 1.0785477758781052
Energy: 1.0682126223488333
Energy: 1.0411279199944767
Energy: 1.1650663521138511
Energy: 1.097558113721061
Energy: 1.0457323225180797
Energy: 1.1654955519244257
Energy: 1.0161699289975827
Energy: 1.1334432873865925
Energy: 1.2284239712487657
Energy: 1.0161833239645797
Energy: 1.0167399328264068
Energy: 1.0874957656232245
Energy: 1.0155714292276439
Energy: 1.0900170119077406
Energy: 1.2325740294881797
Energy: 1.070793108665568
Energy: 1.063745715985166
Energy: 1.0882337877094248
Energy: 1.068634649127534
Energy: 1.0648706150883398
Energy: 1.1768160708331454
Energy: 1.069689236192554
Energy: 1.0165048565195263
Energy: 1.0211709209020616
Energy: 1.0871574331060676
Energy: 1.0173565334691226

minimum gb energy = 1.0155714292276439 eV
minimum distance =  2.28167989432172 Angstroms
sigma value = 11


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

Energy: 1.7451536671524706
Energy: 1.2701171270455158
Energy: 1.2436363997961688
Energy: 1.2459554381044957
Energy: 1.279629286879418
Energy: 1.2316585342915205
Energy: 1.3886993183541034
Energy: 1.194325262192947
Energy: 1.1952329557551058
Energy: 1.2316886410009782
Energy: 1.1940057378784268
Energy: 1.2210410929179356
Energy: 1.387416800478399
Energy: 1.18373176640959
Energy: 1.2190973559456617
Energy: 1.1973221895185022
Energy: 1.1826384174992621
Energy: 1.222665511680745
Energy: 1.2547442492236542
Energy: 1.182716417518619
Energy: 1.208764464283055
Energy: 1.20015865870204
Energy: 1.1823855714851694
Energy: 1.2211781516424787
Energy: 1.2235872610109264
Energy: 1.1943251525747416
Energy: 1.1969211749366202
Energy: 1.22345627968793
Energy: 1.193139754214162
Energy: 1.227874749034929
Energy: 1.252791482049853
Energy: 1.2253159999860226
Energy: 1.2155326540523328
Energy: 1.195715043435985
Energy: 1.2132620177017575
Energy: 1.214629047298124
Energy: 1.2130210847462988
Energy: 1.2128797303961711
Energy: 1.2132760712869317
Energy: 1.2127348866551149
Energy: 1.2126010330980728
Energy: 1.2076648219212223
Energy: 1.2115466459676056
Energy: 1.1960670485140683
Energy: 1.2271900035226853
Energy: 1.1933357078530975
Energy: 1.2318417826994124
Energy: 1.2178020978413937
Energy: 1.2202403689023984
Energy: 1.1974921872267552
Energy: 1.2215164180159221
Energy: 1.1775275058243293
Energy: 1.19400316466743
Energy: 1.2145964702458258
Energy: 1.2074433310916703
Energy: 1.1972786291711095
Energy: 1.2200829610079869
Energy: 1.1778271654911143
Energy: 1.1943875354730944
Energy: 1.215495883270346
Energy: 1.2128348507539424
Energy: 1.2000048498054705
Energy: 1.2250631760486868
Energy: 1.193600551837432
Energy: 1.2000729485916448
Energy: 1.1976281788499128
Energy: 1.1973199009317081
Energy: 1.1912856724472427
Energy: 1.220307435716003
Energy: 1.1974472174992536
Energy: 1.2106548616053294
Energy: 1.2169849164929718
Energy: 1.1935664475861747
Energy: 1.2096465195993622
Energy: 1.2113469979321938
Energy: 1.1937476774174645
Energy: 1.2092809075225357
Energy: 1.2148688141447688
Energy: 1.2006533902968302
Energy: 1.1960598244342906
Energy: 1.221084901795698
Energy: 1.1831861156717745
Energy: 1.2444435884752718
Energy: 1.2209573284600375
Energy: 1.194199749020222
Energy: 1.2096551097621504
Energy: 1.2167135697744929
Energy: 1.1875320030052592
Energy: 1.2058157461295032
Energy: 1.2203892679521489
Energy: 1.1862105582741977
Energy: 1.2114865806368447
Energy: 1.2203048615579202
Energy: 1.1877570231989196
Energy: 1.2063040998473382
Energy: 1.1852063750767474
Energy: 1.1845145616234452
Energy: 1.1996996318120852
Energy: 1.2195490831047502
Energy: 1.185128439132659
Energy: 1.1957505686320724
Energy: 1.2184372820726506
Energy: 1.2296102754870544
Energy: 1.2577474634115977
Energy: 1.2484252844092647
Energy: 1.2002119932184496
Energy: 1.2798473670281976
Energy: 1.201032812103877
Energy: 1.2014306569440127
Energy: 1.1938424908546095
Energy: 1.20090522069877
Energy: 1.2018231670729869
Energy: 1.194429326197973
Energy: 1.2200991702869646
Energy: 1.220566412165062
Energy: 1.1852021007708515
Energy: 1.2209628588128871
Energy: 1.2013523764444314
Energy: 1.1852929212356285
Energy: 1.1928994286679173
Energy: 1.2873492328168887
Energy: 1.1847484696599837
Energy: 1.2115922198094604
Energy: 1.1954784435063806
Energy: 1.184692309705002
Energy: 1.1946171224657733
Energy: 1.2433029882227473
Energy: 1.1937383842405314
Energy: 1.1968273736209651
Energy: 1.207440214901671
Energy: 1.1959171353955798
Energy: 1.2159600298226578
Energy: 1.2187068902147917
Energy: 1.2031708500028686
Energy: 1.2168406339361781
Energy: 1.1818210112293501
Energy: 1.202762203978766
Energy: 1.220778201504489
Energy: 1.2818117673830716
Energy: 1.2027924981192415
Energy: 1.2192379963217632
Energy: 1.192960845817086
Energy: 1.2023871004030475
Energy: 1.2024493718274167
Energy: 1.2769131272705367
Energy: 1.211635477303924
Energy: 1.2004432607527449
Energy: 1.2785657918627131
Energy: 1.2214402877060206
Energy: 1.2039681414310912
Energy: 1.272002093221008
Energy: 1.2297438029355792
Energy: 1.2175198565518184
Energy: 1.1952221989043696
Energy: 1.2171818157997822
Energy: 1.220916161434721
Energy: 1.270615301434868
Energy: 1.1843896316980231
Energy: 1.1846757802906291
Energy: 1.2012506426165266
Energy: 1.188025440101848
Energy: 1.221344301414502
Energy: 1.2716052126774224
Energy: 1.1865782217050322
Energy: 1.2212639958622373
Energy: 1.200246990261184
Energy: 1.1862452140961
Energy: 1.2191347715641798
Energy: 1.2760460948428747
Energy: 1.2121225764779255
Energy: 1.2139207036507673
Energy: 1.2191990803708994
Energy: 1.2189124790430996
Energy: 1.1979502665137067
Energy: 1.3867998611726402
Energy: 1.1953851800501571
Energy: 1.2465728872262245
Energy: 1.2142234686252031
Energy: 1.1933492559253664
Energy: 1.214076074631772
Energy: 1.244104242240998
Energy: 1.1989996618137932
Energy: 1.1905739292099613
Energy: 1.185158123547296
Energy: 1.1971522610149483
Energy: 1.2037094947938427

minimum gb energy = 1.1775275058243293 eV
minimum distance =  2.27503033054663 Angstroms
sigma value = 57


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

Energy: 1.586995156209789
Energy: 1.7335636717720408
Energy: 1.3301507251480866
Energy: 1.3268057402304898
Energy: 1.7300954921747194
Energy: 1.3312996044650547
Energy: 1.2732461800444221
Energy: 1.2220344528121092
Energy: 1.2237563787330714
Energy: 1.2232908269635645
Energy: 1.2199323048316824
Energy: 1.2235723628708157
Energy: 1.279791280688482
Energy: 1.2264311889827761
Energy: 1.2209215711158488
Energy: 1.282058561400449
Energy: 1.2111409027366267
Energy: 1.2235618654401714
Energy: 1.210549983999656
Energy: 1.2191954956506557
Energy: 1.2231744826088893
Energy: 1.2150538361761372
Energy: 1.2013011043914776
Energy: 1.223473049977943
Energy: 1.2204024504521394
Energy: 1.2195419863128838
Energy: 1.2213228590263283
Energy: 1.2156324101648532
Energy: 1.2165827333921104
Energy: 1.223621155082438
Energy: 1.210349406949665
Energy: 1.2198576098761136
Energy: 1.222170388333552
Energy: 1.2214873230108794
Energy: 1.2231397007989366
Energy: 1.2236242870818066
Energy: 1.274483274757463
Energy: 1.2198013760955326
Energy: 1.2245109977195192
Energy: 1.2756445467236812
Energy: 1.2117712956292999
Energy: 1.2244951092046448
Energy: 1.2760556321723693
Energy: 1.2169166407840581
Energy: 1.2240747053057295
Energy: 1.219486537621056
Energy: 1.2110057371269918
Energy: 1.2231468912566994
Energy: 1.1902246400274357
Energy: 1.218050166622483
Energy: 1.224547584263284
Energy: 1.1913287680251523
Energy: 1.2130350691149845
Energy: 1.2222654245427245
Energy: 1.2549876087069303
Energy: 1.216763449729021
Energy: 1.2248017289812274
Energy: 1.1912138931799092
Energy: 1.210843961122942
Energy: 1.2217881650056601
Energy: 1.274806652006382
Energy: 1.2159766162117227
Energy: 1.218443943035551
Energy: 1.220079441014954
Energy: 1.2116485582130112
Energy: 1.2227240143630913
Energy: 1.2611410340194946
Energy: 1.2249148938371985
Energy: 1.2204311111290074
Energy: 1.2615656580351706
Energy: 1.2305369900872545
Energy: 1.2213097925925098
Energy: 1.2233787896679273
Energy: 1.222804095123334
Energy: 1.2207960464584346
Energy: 1.222824762661637
Energy: 1.2216776124696465
Energy: 1.2227462062892767
Energy: 1.2091779843322823
Energy: 1.2773889606861213
Energy: 1.2137123514446724
Energy: 1.2239323727363192
Energy: 1.2769351428144866
Energy: 1.220722604471217
Energy: 1.219093081766773
Energy: 1.2200420075489777
Energy: 1.2241951783979383
Energy: 1.2186321128914153
Energy: 1.2192315990173548
Energy: 1.2230122748126933
Energy: 1.2808058212301503
Energy: 1.2210758132815924
Energy: 1.2198557504841139
Energy: 1.2760687740845995
Energy: 1.2197717026113746
Energy: 1.2235302130159333
Energy: 1.1898558554185383
Energy: 1.2217489696637485
Energy: 1.2233412368565384
Energy: 1.1912662283082212
Energy: 1.220410676521159
Energy: 1.2231788132499435

minimum gb energy = 1.1898558554185383 eV
minimum distance =  2.29047741100279 Angstroms
sigma value = 9


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

Energy: 1.9340255333500571
Energy: 1.3090957467064939
Energy: 1.283401232676837
Energy: 1.284037441210508
Energy: 1.3240103300698605
Energy: 1.2841830167084933
Energy: 1.298723204730644
Energy: 1.2795225997760977
Energy: 1.2808200977216513
Energy: 1.2789943911499517
Energy: 1.2526780996039613
Energy: 1.2836882847341817
Energy: 1.3008127465642179
Energy: 1.2858288003457543
Energy: 1.28381508328936
Energy: 1.2517803227023463
Energy: 1.2935843722385583
Energy: 1.2814628313576775
Energy: 1.2746705271203258
Energy: 1.2901660278331328
Energy: 1.287491164214724
Energy: 1.2789732324730256
Energy: 1.2816526327852564
Energy: 1.2856640559633041
Energy: 1.2999038372896088
Energy: 1.255050336770832
Energy: 1.2486267592214457
Energy: 1.2476345730347373
Energy: 1.2527895846852364
Energy: 1.2496731137747579
Energy: 1.2765749162292857
Energy: 1.2765242179273546
Energy: 1.2741249344071606
Energy: 1.2792987395114
Energy: 1.2794784922111837
Energy: 1.2760184266183785
Energy: 1.2716854999329348
Energy: 1.2698829370701936
Energy: 1.2903009780570394
Energy: 1.2480983551381515
Energy: 1.2740377344781137
Energy: 1.2892794062843154
Energy: 1.3192298018524378
Energy: 1.269197088436353
Energy: 1.2781608569099514
Energy: 1.2778848143103096
Energy: 1.2679420033252933
Energy: 1.2761103010218613
Energy: 1.3199168447484881
Energy: 1.2534043815516052
Energy: 1.2552633475497943
Energy: 1.2959354480118703
Energy: 1.2505586115913205
Energy: 1.2801156619222922
Energy: 1.3215163953953262
Energy: 1.2538329187082293
Energy: 1.2551773369626933
Energy: 1.2957904476034863
Energy: 1.2703840866169354
Energy: 1.2502185265244317
Energy: 1.31919344629822
Energy: 1.264095973170587
Energy: 1.2617734060471903
Energy: 1.276232595607705
Energy: 1.2664752511368358
Energy: 1.2610562511931052
Energy: 1.3215572499850876
Energy: 1.2603246891824988
Energy: 1.2858580134920825
Energy: 1.3009763104116074
Energy: 1.2596619920416225
Energy: 1.2833969358231117
Energy: 1.4783030472385308
Energy: 1.2793018197362396
Energy: 1.2805344239811642
Energy: 1.2804174918754854
Energy: 1.2775559427649834
Energy: 1.272006977600828
Energy: 1.3280316695075378
Energy: 1.2859519233914332
Energy: 1.2852864735794574
Energy: 1.284687358817131
Energy: 1.2784327506826405
Energy: 1.2863355722218894
Energy: 1.3168074356405055
Energy: 1.2578523505969668
Energy: 1.2535294298315476
Energy: 1.2955921301803754
Energy: 1.2617999526217065
Energy: 1.2540529413206427
Energy: 1.297210364860863
Energy: 1.285711571628548
Energy: 1.2478384149071564
Energy: 1.2496561577020127
Energy: 1.2933126948696285
Energy: 1.2560346952829249
Energy: 1.3034141383854587
Energy: 1.2920653743485968
Energy: 1.288012475158525
Energy: 1.2778838287707412
Energy: 1.2834389039343455
Energy: 1.285341203571316
Energy: 1.3978517222770057
Energy: 1.2806125687619498
Energy: 1.250793345151625
Energy: 1.3005690120235833
Energy: 1.276639078304675
Energy: 1.2499588908209915
Energy: 1.2971668569188415
Energy: 1.2892454856416042
Energy: 1.285868500511045
Energy: 1.249726576993324
Energy: 1.2840999108158961
Energy: 1.2827947350818107
Energy: 1.299377551353775
Energy: 1.2908719098319843
Energy: 1.2851812639129083
Energy: 1.249274617220867
Energy: 1.2832924842598838
Energy: 1.2820055407755213
Energy: 1.302551979650523
Energy: 1.2542807897054606
Energy: 1.2505218731706151
Energy: 1.2673566065312856
Energy: 1.2983125764953418
Energy: 1.2509835538258307

minimum gb energy = 1.2476345730347373 eV
minimum distance =  2.27592903436009 Angstroms
sigma value = 27


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

Energy: 1.7394599225288756
Energy: 1.687664214392976
Energy: 1.2433176058083169
Energy: 1.2500951318524682
Energy: 1.6845005483698945
Energy: 1.3049811487730725
Energy: 1.494897791011241
Energy: 1.241248931880301
Energy: 1.270799935974307
Energy: 1.2379354640071416
Energy: 1.2664419726395317
Energy: 1.2407825754430384
Energy: 1.3634606666375158
Energy: 1.2501820124668226
Energy: 1.2957376938911955
Energy: 1.2349470041938273
Energy: 1.2640036174654024
Energy: 1.2472827831837294
Energy: 1.436555931616793
Energy: 1.258853485271161
Energy: 1.2425096034608032
Energy: 1.3292811573358512
Energy: 1.2618775095342518
Energy: 1.2351830278803708
Energy: 1.2717098487327094
Energy: 1.2679509226688819
Energy: 1.3388679973218982
Energy: 1.2727347085817446
Energy: 1.3140923598925398
Energy: 1.2416209246042276
Energy: 1.415207233657185
Energy: 1.3316770922734777
Energy: 1.3249267388777204
Energy: 1.3421406002920702
Energy: 1.3336244918446318
Energy: 1.3204390154889003
Energy: 1.3978069245355411
Energy: 1.2907624764944994
Energy: 1.2750411649378246
Energy: 1.2350043741789547
Energy: 1.299227487559366
Energy: 1.2842844204473303
Energy: 1.3865459799257478
Energy: 1.2869163644165844
Energy: 1.3530972551490505
Energy: 1.3623637061490668
Energy: 1.2876449023640628
Energy: 1.3526538053439938
Energy: 1.381955922800376
Energy: 1.3350819856277456
Energy: 1.3391960062926125
Energy: 1.3176274223713675
Energy: 1.334301136309409
Energy: 1.329899948731047
Energy: 1.379250345841692
Energy: 1.2955463452943332
Energy: 1.295131124162393
Energy: 1.3169970779844582
Energy: 1.29646902812115
Energy: 1.2898903365815098
Energy: 1.3834952369351163
Energy: 1.3409057109856373
Energy: 1.3590493565720625
Energy: 1.3454742827436499
Energy: 1.268223398811767
Energy: 1.3543056336046118
Energy: 1.3493320825312045
Energy: 1.2950860150067
Energy: 1.2940718970665843
Energy: 1.2956340667572819
Energy: 1.2947410348015809
Energy: 1.294777167098432
Energy: 1.4522032060012162
Energy: 1.347087696869445
Energy: 1.2975372803317444
Energy: 1.2862156988920481
Energy: 1.3447441388409573
Energy: 1.2989826088285026
Energy: 1.4248125963206704
Energy: 1.304994605023266
Energy: 1.3031792345503912
Energy: 1.2816714084360172
Energy: 1.299716639827122
Energy: 1.3028917118502117
Energy: 1.3475585526512313
Energy: 1.2799407296386534
Energy: 1.2840468746869556
Energy: 1.3003850561080497
Energy: 1.2756712254632485
Energy: 1.286041964093867
Energy: 1.3390669368295731
Energy: 1.2836217062285147
Energy: 1.2993831344159885
Energy: 1.3228477488326256
Energy: 1.2806680241619537
Energy: 1.3260063104556863
Energy: 1.2624312107711346
Energy: 1.2878096317547851
Energy: 1.2865851291795676
Energy: 1.273909288706467
Energy: 1.3139571015658738
Energy: 1.286640849187656
Energy: 1.3289455870615798
Energy: 1.3327479840647973
Energy: 1.336530657946754
Energy: 1.3138544962243779
Energy: 1.333733993241355
Energy: 1.3258259825220695
Energy: 1.3617065969135944
Energy: 1.3046809000141941
Energy: 1.3032727949533278
Energy: 1.3693018456504025
Energy: 1.2684856394053745
Energy: 1.300200789786333
Energy: 1.381846411493267
Energy: 1.272021691336596
Energy: 1.2716689453071006
Energy: 1.2365321433318566
Energy: 1.2735263503260599
Energy: 1.2721263965205825
Energy: 1.3812432417701905
Energy: 1.3430680386197709
Energy: 1.322465063758352
Energy: 1.3160931952415753
Energy: 1.335396831970701
Energy: 1.33342273532498
Energy: 1.2627155346948198
Energy: 1.2680850026400885
Energy: 1.2632571147221225
Energy: 1.263503119224437
Energy: 1.375719131270552
Energy: 1.239181850668487
Energy: 1.379057392526904
Energy: 1.26686713044064
Energy: 1.2561265072247845
Energy: 1.2347149973533613
Energy: 1.2611075406608176
Energy: 1.3334042080321062
Energy: 1.402915271261616
Energy: 1.2645751090035857
Energy: 1.2671693244337887
Energy: 1.2342398927108214
Energy: 1.2636997005418038
Energy: 1.2443767284708789
Energy: 1.3926212741422492
Energy: 1.2611304034663435
Energy: 1.3323150644687736
Energy: 1.2507252501939383
Energy: 1.264035703788703
Energy: 1.271218001759358

minimum gb energy = 1.2342398927108214 eV
minimum distance =  2.20038181483872 Angstroms
sigma value = 19


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

Energy: 1.2911656726670697
Energy: 1.2799378545629962
Energy: 1.2705732203287143
Energy: 1.2323671402206169
Energy: 1.2645692908018082
Energy: 1.2713418393128848
Energy: 1.2862885776329753
Energy: 1.2307262950013902
Energy: 1.2270769308603167
Energy: 1.2239268367522667
Energy: 1.2346562099248135
Energy: 1.2253295835231386
Energy: 1.274847530828363
Energy: 1.2248498341459675
Energy: 1.2273189379687373
Energy: 1.2400451684258054
Energy: 1.2220390208742107
Energy: 1.2299685994724945
Energy: 1.269937486784893
Energy: 1.2260447301424524
Energy: 1.226126918610223
Energy: 1.2300200663982903
Energy: 1.2261906391943314
Energy: 1.2248243448984444
Energy: 1.2300970658845052
Energy: 1.2320661237683135
Energy: 1.2329564891908074
Energy: 1.234841207011554
Energy: 1.2397828213315263
Energy: 1.2285733614269647
Energy: 1.2487752087145503
Energy: 1.226859352122142
Energy: 1.2263867063226774
Energy: 1.2224108372119962
Energy: 1.2278171813471455
Energy: 1.2253259731350674
Energy: 1.2320833848724642
Energy: 1.2198160218445684
Energy: 1.221478522760298
Energy: 1.2238906740174367
Energy: 1.220585441205604
Energy: 1.2236320201293298
Energy: 1.2668635340765848
Energy: 1.2247938345846257
Energy: 1.226663631140095
Energy: 1.2354263564554469
Energy: 1.219596234405284
Energy: 1.2312539294958962
Energy: 1.2122306486667547
Energy: 1.2309247680069304
Energy: 1.227749734369403
Energy: 1.2213035041232336
Energy: 1.2282154421278668
Energy: 1.2290784351469577
Energy: 1.2131893086999581
Energy: 1.2353989310363311
Energy: 1.2318027260679845
Energy: 1.2239625580672184
Energy: 1.238662709659202
Energy: 1.2310011869066464
Energy: 1.2735392678094368
Energy: 1.206849232483422
Energy: 1.2095903769995011
Energy: 1.2278574955035877
Energy: 1.2020989627398138
Energy: 1.2126927620529893
Energy: 1.2728202881894317
Energy: 1.2068934070454038
Energy: 1.2067750455382937
Energy: 1.2136370742985092
Energy: 1.2025526300313096
Energy: 1.2068822950701596
Energy: 1.2612195039845453
Energy: 1.2183265076298904
Energy: 1.2279643213978264
Energy: 1.2126448958415077
Energy: 1.2199817844443281
Energy: 1.2096037533426665
Energy: 1.305286001266636
Energy: 1.2403111483043152
Energy: 1.2270322212276183
Energy: 1.1966554504463711
Energy: 1.2391957243628793
Energy: 1.226848027862489
Energy: 1.2707370983970057
Energy: 1.2007433313593057
Energy: 1.211966814501863
Energy: 1.2125970773722814
Energy: 1.1965945132491846
Energy: 1.2122515050495748
Energy: 1.283704083608964
Energy: 1.207084468199968
Energy: 1.2154252195146868
Energy: 1.208973946177258
Energy: 1.1963924515044502
Energy: 1.2167790557103548
Energy: 1.2328511780819313
Energy: 1.2303501780018256
Energy: 1.241134172587528
Energy: 1.19072152495519
Energy: 1.2409558840323867
Energy: 1.2414647361773372
Energy: 1.2786237256642659
Energy: 1.2105427822209434
Energy: 1.2106530633476666
Energy: 1.1925213849435272
Energy: 1.2089042074236014
Energy: 1.2081691972670698
Energy: 1.2805014280444633
Energy: 1.2035067905215049
Energy: 1.1975716852029348
Energy: 1.2455705529557652
Energy: 1.1930623670882903
Energy: 1.2385217796701549
Energy: 1.259052274281254
Energy: 1.1959451279074371
Energy: 1.1973846969366124
Energy: 1.2399003963033497
Energy: 1.1932163894177417
Energy: 1.2110728932719523
Energy: 1.1931716167508177
Energy: 1.2114507352459634
Energy: 1.2111929039568439
Energy: 1.1994480960409086
Energy: 1.2110352879001833
Energy: 1.208401114864037
Energy: 1.1901600546207955
Energy: 1.21272901493982
Energy: 1.21064302551882
Energy: 1.1916771374209922
Energy: 1.2163363273877792
Energy: 1.209626942276787
Energy: 1.239964959116228
Energy: 1.1989466450298532
Energy: 1.2035491385676844
Energy: 1.2365059708722121
Energy: 1.1881604883729626
Energy: 1.2158966259221984
Energy: 1.275190040399987
Energy: 1.2006089223270264
Energy: 1.2078982928216502
Energy: 1.2511793948340624
Energy: 1.1875372348465592
Energy: 1.2114343742063296
Energy: 1.275282448928735
Energy: 1.2149314007011554
Energy: 1.211627294861439
Energy: 1.1987870616191103
Energy: 1.20438151741894
Energy: 1.2100268300626391
Energy: 1.2314269053181464
Energy: 1.2282722281907767
Energy: 1.2289873154232909
Energy: 1.2160026598073614
Energy: 1.2284477228758486
Energy: 1.227307423487784
Energy: 1.2752953801243467
Energy: 1.2257953901607948
Energy: 1.2254174650009528
Energy: 1.2255403050555416
Energy: 1.2223158933162186
Energy: 1.2271822914786135
Energy: 1.274368825126509
Energy: 1.223816396623218
Energy: 1.2252931840299441
Energy: 1.2299661730278915
Energy: 1.2224224344318495
Energy: 1.225825780010807
Energy: 1.2831774310930222
Energy: 1.274228812159552
Energy: 1.2729218772037296
Energy: 1.176495504915116
Energy: 1.267278393422795
Energy: 1.210022776368344

minimum gb energy = 1.176495504915116 eV
minimum distance =  2.26405264223111 Angstroms
sigma value = 101


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

Energy: 1.7728377566834883
Energy: 1.1926759412005434
Energy: 1.185316221843546
Energy: 1.1200442925040694
Energy: 1.1918961202996685
Energy: 1.182593959854867
Energy: 1.3568807803314298
Energy: 1.1567876735107758
Energy: 1.1860101573640291
Energy: 1.1571828147840963
Energy: 1.1561400016265353
Energy: 1.1826604740195616
Energy: 1.2559142601080595
Energy: 1.1650543697674411
Energy: 1.1706164094588671
Energy: 1.1891291202996497
Energy: 1.1566258075675897
Energy: 1.1853165412757494
Energy: 1.236812047844711
Energy: 1.1733720116740582
Energy: 1.1843587503638753
Energy: 1.1806258334662552
Energy: 1.1617969185842874
Energy: 1.1827809685923607
Energy: 1.1675369475453012
Energy: 1.188722812802995
Energy: 1.1878091611333315
Energy: 1.1721998119385102
Energy: 1.189272354053286
Energy: 1.1840263045888464
Energy: 1.181147486107934
Energy: 1.1777119695826856
Energy: 1.1818423528397735
Energy: 1.1501771725143097
Energy: 1.1737705200021689
Energy: 1.1832416865788506
Energy: 1.2044937006996412
Energy: 1.1530279451958425
Energy: 1.1517317548241883
Energy: 1.1934236365542408
Energy: 1.1496155508154977
Energy: 1.1808253885612363
Energy: 1.197788595815776
Energy: 1.1601396702331825
Energy: 1.1689240725332297
Energy: 1.191728200467655
Energy: 1.1578984479570262
Energy: 1.1600725928113533
Energy: 1.1507948700159802
Energy: 1.1828756179163762
Energy: 1.175031075318898
Energy: 1.1554380774436241
Energy: 1.1837601784169642
Energy: 1.1708449396172858
Energy: 1.1482449713121297
Energy: 1.1972030998389818
Energy: 1.1931813430510543
Energy: 1.1564080230810632
Energy: 1.1945509914706371
Energy: 1.1916436395332133
Energy: 1.2464983244602321
Energy: 1.133177668676138
Energy: 1.1189009204565696
Energy: 1.1836318560011574
Energy: 1.123886645477815
Energy: 1.178165187169994
Energy: 1.262667114136394
Energy: 1.1661869167113645
Energy: 1.1719986640228892
Energy: 1.1657328118165207
Energy: 1.1558378196718266
Energy: 1.1695014775412114
Energy: 1.1806827128778947
Energy: 1.1824675836322982
Energy: 1.1837054971823968
Energy: 1.149013157774191
Energy: 1.183248545879344
Energy: 1.1730002046742365
Energy: 1.18004372037399
Energy: 1.1619964460445686
Energy: 1.1867029589131848
Energy: 1.1583341784837482
Energy: 1.188963159230851
Energy: 1.1833450895716109
Energy: 1.2571094028032932
Energy: 1.1615545804021288
Energy: 1.1691944591807015
Energy: 1.1887185197565027
Energy: 1.156539040517812
Energy: 1.1800842772583906
Energy: 1.2566133079491253
Energy: 1.1661110237480132
Energy: 1.1822547754271082
Energy: 1.1837214224301447
Energy: 1.16106286274375
Energy: 1.1832964723596637
Energy: 1.188431451656893
Energy: 1.1639816046337554
Energy: 1.1881499998101588
Energy: 1.117458807858018
Energy: 1.186379996182253
Energy: 1.1152053458516815
Energy: 1.3020185075131367
Energy: 1.1833867340434634
Energy: 1.1879147411430424
Energy: 1.1855784817605983
Energy: 1.183200562595396
Energy: 1.1852409233632093
Energy: 1.2548383005408428
Energy: 1.164259810653214
Energy: 1.1709992259250577
Energy: 1.1859493552593414
Energy: 1.1556797244140755
Energy: 1.1728912134283003
Energy: 1.2345783438350761
Energy: 1.165694295088344
Energy: 1.1601905830946135
Energy: 1.1836843646062487
Energy: 1.155706363028091
Energy: 1.1809350031917392
Energy: 1.1705251543384254
Energy: 1.1821868510547668
Energy: 1.183693128355342
Energy: 1.1762898791775807
Energy: 1.1829608221949475
Energy: 1.1824264652637007
Energy: 1.1825147989676095
Energy: 1.1577084926600774
Energy: 1.18450505395273
Energy: 1.1601426086160738
Energy: 1.1574818889081075
Energy: 1.16168240575138
Energy: 1.2010002241134248
Energy: 1.157250006091104
Energy: 1.1502764514512378
Energy: 1.1884257880384808
Energy: 1.154171054656949
Energy: 1.149265347591396
Energy: 1.2188564056660136
Energy: 1.1613275778954129
Energy: 1.147578167239088
Energy: 1.191881324046654
Energy: 1.1568021893528537
Energy: 1.1888031585935703
Energy: 1.1585620097379177
Energy: 1.1598347895820897
Energy: 1.182742479744555
Energy: 1.1611493883914183
Energy: 1.182654237852435
Energy: 1.1596340541230499
Energy: 1.150560948804275
Energy: 1.1603460006305304
Energy: 1.186731510722133
Energy: 1.1567767731864786
Energy: 1.1611032889321358
Energy: 1.183135764859649
Energy: 1.1860799655137337
Energy: 1.1188733888126579
Energy: 1.118969375348717
Energy: 1.1581809136706773
Energy: 1.1234327036653404
Energy: 1.1197531648277508
Energy: 1.2556834855224586
Energy: 1.1221132056813659
Energy: 1.1228283677162054
Energy: 1.188225439611799
Energy: 1.1247732710423717
Energy: 1.1840902537471956
Energy: 1.1797614263739096
Energy: 1.1893532219775744
Energy: 1.1840152289080943
Energy: 1.1496611530353997
Energy: 1.1901374143830539
Energy: 1.1802276792221604
Energy: 1.1832472035535628
Energy: 1.1560305529818669
Energy: 1.1844645750813771
Energy: 1.1502187322007515
Energy: 1.1581506406928492
Energy: 1.1820106674559163
Energy: 1.2557326191814902
Energy: 1.15696127424664
Energy: 1.1781613845401462
Energy: 1.161497192127829
Energy: 1.1548859491420602
Energy: 1.1831333007845124
Energy: 1.256686654435846
Energy: 1.1582340004380607
Energy: 1.1600675011683037
Energy: 1.1832119175502605
Energy: 1.160422088822566
Energy: 1.181749784182838
Energy: 1.1912504112909592
Energy: 1.1601725776402076
Energy: 1.1696915207100478
Energy: 1.1153667115509174
Energy: 1.153818390603908
Energy: 1.186615446547178

minimum gb energy = 1.1152053458516815 eV
minimum distance =  2.25402424623597 Angstroms
sigma value = 33


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

Energy: 0.020484502454493313
Energy: 1.1522035927584697
Energy: 0.02209478227302486
Energy: 0.024029756956513826
Energy: 1.1517556699486435
Energy: 0.022005474045276138
Energy: 0.6001533282250691
Energy: 0.16867607830240922
Energy: 0.1660883398398287
Energy: 0.16768802453976678
Energy: 0.16823667391142386
Energy: 0.16580537770573014
Energy: 1.5891066101382243
Energy: 1.1533349763944514
Energy: 1.1504317737646368
Energy: 1.1518495211766957
Energy: 1.1509022998708154
Energy: 1.1503361690709049
Energy: 0.022207239410181736
Energy: 0.16867607830282508
Energy: 0.16608833984118035
Energy: 0.1676880245374794
Energy: 0.16823667391142386
Energy: 0.1658053777066659

minimum gb energy = 0.020484502454493313 eV
minimum distance =  2.4565816866723 Angstroms
sigma value = 1