Model name: model_name=EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_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=3.520000368356705
cohesive_energy=4.450349990424746
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=[1.8647894060789398e-19, 2.77399260234126e-19, 3.4574971761719994e-19, 4.0075885016895597e-19, 4.46576295371454e-19, 4.855171984608239e-19, 5.190411423506399e-19, 5.48143078730616e-19, 5.73537578379516e-19, 5.95759768293096e-19, 6.152278165728299e-19, 6.322685672520539e-19, 6.4715118600528e-19, 6.600935688547319e-19, 6.712815682899539e-19, 6.80870595444444e-19, 6.88993630978824e-19, 6.95767633787376e-19, 7.012935409980419e-19, 7.056594723256919e-19, 7.08943934425392e-19, 7.112158208924039e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.11028366226226e-19, 7.083543334240799e-19, 7.04281600420452e-19, 6.98568238543608e-19, 6.909258559994281e-19, 6.81006780458334e-19, 6.68399252525388e-19, 6.52601790914148e-19, 6.330023641504259e-19, 6.08854357922778e-19, 5.792429293731899e-19, 5.430273287382539e-19, 4.987800166370759e-19, 4.44696942179772e-19, 3.78475777543284e-19, 2.97146087248176e-19, 1.9682739948689997e-19, 7.237160029908719e-20, -8.31471994687176e-20, -2.7920010677074197e-19, -5.2796526620202e-19, -8.472742628283179e-19, -1.265445568655586e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01810199392462641
Energy: 0.0184812806460695
Energy: 0.018501539322423776
Energy: 0.01844314800258718
Energy: 0.5003669105231646
Energy: 0.018544069693924557
Energy: 0.018481280645113958
Energy: 0.15217041571463025
Energy: 0.15214284968199004
Energy: 0.15223020359832934
Energy: 0.1521177542321477
Energy: 0.15231982460621452
Energy: 0.01850153932371008
Energy: 0.15214284968199004
Energy: 0.15338048190843426
Energy: 0.018529517540637083
Energy: 0.15215579949722793
Energy: 0.1521900384638886
Energy: 0.018443148002293172
Energy: 0.15223020359704306
Energy: 0.018529517541923387
Energy: 0.018479321670961973
Energy: 0.15229950768752737
Energy: 0.018589501506248027
Energy: 0.5003669100292234
Energy: 0.1521177542321477
Energy: 0.15215579949689717
Energy: 0.15229950768657183
Energy: 0.15210494220540405
Energy: 0.15222098822822835
Energy: 0.01854406969329978
Energy: 0.15231982460588378
Energy: 0.15219003846322707
Energy: 0.018589501509151403
Energy: 0.1522209882279343
Energy: 0.018492300195509674

minimum gb energy = 0.01810199392462641 eV
minimum distance =  2.48635230230386 Angstroms
sigma value = 1


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

Energy: 1.5300319667958762
Energy: 1.0071719047322105
Energy: 1.0469576726344878
Energy: 1.0296300317595573
Energy: 1.5692637637764357
Energy: 1.0466851193726454
Energy: 1.462027901918487
Energy: 0.9285120449327054
Energy: 0.929738015277679
Energy: 0.9797005664909441
Energy: 0.9405177783920992
Energy: 0.9302612010385547
Energy: 1.4241186142054094
Energy: 0.9518639228978215
Energy: 0.9522776982484226
Energy: 0.9451424886527254
Energy: 0.9557194252269992
Energy: 0.9677028878612266
Energy: 1.5283688694843247
Energy: 0.9462051722642983
Energy: 0.9516693490547828
Energy: 0.9522986136596528
Energy: 0.9514304018615262
Energy: 0.938826676005189
Energy: 1.4089949100111925
Energy: 0.9982213249040538
Energy: 0.9982623473751702
Energy: 0.995543065631182
Energy: 0.9994882787925993
Energy: 0.9917515535116047
Energy: 1.3847754413858995
Energy: 0.996941375402861
Energy: 0.9974340417935217
Energy: 0.9665203487580101
Energy: 0.9971724123260488
Energy: 0.9979686931249466
Energy: 1.3851824227086205
Energy: 0.9630216785901634
Energy: 0.998573793212197
Energy: 0.965713209455879
Energy: 0.9300747058484312
Energy: 0.9845945389487449
Energy: 1.3197952212997648
Energy: 0.9686027846786106
Energy: 0.9682907020481475
Energy: 0.9293431573585569
Energy: 0.9664306470899187
Energy: 0.9974770959288765
Energy: 1.132555930134734
Energy: 0.9649832198078194
Energy: 0.9832710286539369
Energy: 0.9977383083612299
Energy: 0.9674291583193939
Energy: 0.9982391208806878
Energy: 1.1317501770559126
Energy: 0.9935904353485095
Energy: 0.9923903165070193
Energy: 0.9318322313336289
Energy: 0.995340834700018
Energy: 1.0012009930329298
Energy: 1.1408328706933653
Energy: 0.9587082014436731
Energy: 0.9285570789338345
Energy: 1.0255410467298516
Energy: 0.9741857403623763
Energy: 0.9563311223104813
Energy: 1.0616080823580774
Energy: 0.9592947656750789
Energy: 0.9671144766854535
Energy: 0.9512844805469297
Energy: 0.956947329513863
Energy: 0.9383047556164578
Energy: 1.061939282599949
Energy: 0.9837757014052814
Energy: 0.9832904802492944
Energy: 0.9397440624298817
Energy: 0.9524336849578237
Energy: 0.9294588644561197
Energy: 1.1697664472894207
Energy: 0.974770263353403
Energy: 0.9287199606253446
Energy: 0.9382232857243482
Energy: 0.9528530640065992
Energy: 0.9603763926960052
Energy: 1.0768595138357306
Energy: 0.9922062601113593
Energy: 0.953883373112169
Energy: 0.939286292193403
Energy: 0.9938440219636112
Energy: 0.9536736387014052
Energy: 1.0765263343791514
Energy: 0.9453285034598035
Energy: 0.9703295623383474
Energy: 0.9845361894540797
Energy: 0.9462613770492634
Energy: 0.9829268367419345
Energy: 1.2489821663174496
Energy: 0.9635914435876004
Energy: 0.9643796656930559
Energy: 0.9520684112967228
Energy: 0.9639781834319014
Energy: 0.9690420743502332
Energy: 1.250391345729252
Energy: 0.9483290849290915
Energy: 0.982321574396349
Energy: 0.9845395404984993
Energy: 0.9486774522003247
Energy: 0.9992665246216339
Energy: 1.251150714992541
Energy: 0.9858998212907853
Energy: 0.999422279853089
Energy: 0.9487764775044943
Energy: 0.9837159195089313
Energy: 0.998429913367355
Energy: 1.363517969562347
Energy: 0.9834404474596408
Energy: 0.9991536841434779
Energy: 0.9489266095230104
Energy: 0.9822562945685159
Energy: 0.9992240045236355
Energy: 1.448610568638232
Energy: 0.952222385955956
Energy: 0.9291991200152941
Energy: 0.9566522410061081
Energy: 0.9520911995812646
Energy: 0.9296717575608181
Energy: 1.4506581517404105
Energy: 0.9827670682026463
Energy: 0.9824153225603004
Energy: 0.9559221429021887
Energy: 0.9830555748382351
Energy: 0.970142353739584
Energy: 1.4617345185933759
Energy: 0.9291583545031025
Energy: 0.9222851827758222
Energy: 0.9984582082858825
Energy: 0.938904981751054
Energy: 0.9538875741077084

minimum gb energy = 0.9222851827758222 eV
minimum distance =  2.29478852485446 Angstroms
sigma value = 33


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

Energy: 1.7576665140186387
Energy: 1.0561939648993661
Energy: 1.0353419007142026
Energy: 1.038653345968419
Energy: 0.963293458941391
Energy: 1.0566119065623318
Energy: 1.2080609068685981
Energy: 0.9604485285520711
Energy: 0.9444822995704218
Energy: 0.9779284601331201
Energy: 0.9645594387658348
Energy: 0.9480900497720587
Energy: 1.4414259338562847
Energy: 0.9489221830467266
Energy: 0.9431941131243036
Energy: 1.003129765583565
Energy: 0.9503551465229715
Energy: 0.941345497468422
Energy: 1.4271773148107925
Energy: 1.0362184345362109
Energy: 0.9410961530486056
Energy: 1.0141937994906889
Energy: 0.9579266691558401
Energy: 0.9767014792743349
Energy: 1.354776773987161
Energy: 1.0051107207848147
Energy: 1.0052545374793138
Energy: 0.9772281795523025
Energy: 0.9819764795159981
Energy: 0.9878496773667677
Energy: 1.4394529970723124
Energy: 1.00786263215296
Energy: 0.9990862950095701
Energy: 0.9714415879059667
Energy: 0.9997108063742275
Energy: 1.0723266415284225
Energy: 1.4380331858435138
Energy: 1.0636379737148773
Energy: 1.0637079125626632
Energy: 0.9801377715771828
Energy: 1.052438851758631
Energy: 1.0618620255360838
Energy: 1.353926428348383
Energy: 1.047780457739804
Energy: 1.0470796821558883
Energy: 0.9343979093001629
Energy: 1.0474304663345437
Energy: 0.9916722070597476
Energy: 1.1989855836630006
Energy: 0.9878055444027608
Energy: 1.0715112342993651
Energy: 1.0810120142756463
Energy: 0.9873864062979018
Energy: 1.0775603973150427
Energy: 1.2015084309442658
Energy: 1.036036106126714
Energy: 1.0676653606227713
Energy: 1.023324972514979
Energy: 1.0341069708450559
Energy: 1.0708696511567666
Energy: 1.2238615886641389
Energy: 0.9329684635583256
Energy: 0.9327585608145591
Energy: 1.0621123939186679
Energy: 0.934302316503313
Energy: 0.9331006120510469
Energy: 1.1306251312602833
Energy: 0.9215383902668293
Energy: 1.028226844356626
Energy: 1.035038870902026
Energy: 0.954891887450923
Energy: 1.0291354234849828
Energy: 1.1292708625079928
Energy: 1.0462944202222708
Energy: 1.0242471137296363
Energy: 1.037154115646368
Energy: 1.0400874211377193
Energy: 1.022005968745575
Energy: 1.2710359820641723
Energy: 1.0199381209887144
Energy: 1.019752461528413
Energy: 1.0842640020308278
Energy: 1.0199500929581486
Energy: 0.9772199829405546
Energy: 1.1801833824782102
Energy: 1.0918173529678583
Energy: 1.058739086283206
Energy: 1.057126182196014
Energy: 1.0505240638775264
Energy: 1.059779424523796
Energy: 1.1826025758355376
Energy: 1.0695563600853413
Energy: 1.0700285702286085
Energy: 1.071802949744311
Energy: 1.0630620175526637
Energy: 1.070953993588585
Energy: 1.1816058843135007
Energy: 1.0670474451727552
Energy: 1.066973478150686
Energy: 1.039317078704445
Energy: 1.0594524317173353
Energy: 1.0671619816396662
Energy: 1.255230217917774
Energy: 1.0297984444967918
Energy: 1.0299671100921217
Energy: 0.9894385922575983
Energy: 1.0315716214682167
Energy: 1.0482466327561408
Energy: 1.2456785927800011
Energy: 1.07579940556004
Energy: 1.0775694453528766
Energy: 0.9877574334561067
Energy: 1.0763425913705138
Energy: 1.0784998345997194
Energy: 1.3825962661122038
Energy: 1.0767782591930168
Energy: 1.0729972017203022
Energy: 1.037546880048764
Energy: 1.023135278282282
Energy: 1.0757030485205716
Energy: 1.5523597666741211
Energy: 1.0595086162217036
Energy: 0.9325559237943805
Energy: 0.932975850416149
Energy: 1.0461601138484669
Energy: 0.932994501694487
Energy: 1.1928354329256943
Energy: 1.0363584886595236
Energy: 1.032713586156971
Energy: 0.9093715585301789
Energy: 1.0371580800816935
Energy: 1.033171232363624
Energy: 1.3943102150890838
Energy: 1.0356788881894514
Energy: 1.020476379353502
Energy: 1.054118235213819
Energy: 1.0380832565903604
Energy: 1.0270438873639953
Energy: 1.4288872444735463
Energy: 1.0514783931707363
Energy: 1.1176801302902926
Energy: 0.977472664300834
Energy: 1.0511373489463347
Energy: 1.0096977400591334
Energy: 1.3947495587834653
Energy: 1.0553858069929176
Energy: 1.0411289988898396
Energy: 1.051891049811526
Energy: 1.054842357923691
Energy: 1.058569334012395
Energy: 1.451311023462955
Energy: 1.069792821052637
Energy: 1.0707084082132083
Energy: 1.0614747567474685
Energy: 1.0705348609601195
Energy: 1.0654753461528002
Energy: 1.4429007709418749
Energy: 1.038813951174057
Energy: 1.0615303765603026
Energy: 1.0618756452055198
Energy: 1.0380368973448375
Energy: 1.061577376044206
Energy: 1.355771683826459
Energy: 1.0472053558705088
Energy: 1.048233483220687
Energy: 1.039357672229503
Energy: 0.9891123479538844
Energy: 1.097972099547821
Energy: 1.1975413389301357
Energy: 1.0473197689828446
Energy: 1.047907249933121
Energy: 1.0224005533030558
Energy: 0.9896835509620067
Energy: 1.0767236103448778
Energy: 1.2008780698863186
Energy: 1.0519619300199279
Energy: 1.0438334347496174
Energy: 1.0206477661475652
Energy: 1.0521050331970911
Energy: 1.0794960224830843
Energy: 1.2540089942703538
Energy: 0.9343424182201892
Energy: 0.9330127194421935
Energy: 1.0367242955951326
Energy: 0.9336236087038555
Energy: 0.9324840380626823
Energy: 1.1282771751626417
Energy: 0.9217012119756528
Energy: 0.9218245865352442
Energy: 1.0344415700810297
Energy: 0.9103004429113498
Energy: 1.0300002905348413
Energy: 1.1308793540089337
Energy: 1.046141288126823
Energy: 1.0098300411009076
Energy: 1.0363713395316623
Energy: 1.0531631690976297
Energy: 1.0232316458997257
Energy: 1.1281174931469062
Energy: 0.9783056986191502
Energy: 0.9773210530525561
Energy: 1.0360132764390826
Energy: 1.0202380621660272
Energy: 1.007524213840042
Energy: 1.1759246937089411
Energy: 1.0522587974417128
Energy: 1.0453712500374612
Energy: 0.9648134515557049
Energy: 1.0526574783178322
Energy: 1.043155976589719
Energy: 1.174658622299626
Energy: 0.9849163845139098
Energy: 1.0605023776617521
Energy: 1.074385738961055
Energy: 1.0506145603763952
Energy: 1.067149042719819
Energy: 1.1771881029412221
Energy: 0.9590506715565997
Energy: 0.9900081829686342
Energy: 0.9872536315335615
Energy: 0.9901588642055914
Energy: 0.9590816025568731
Energy: 1.2452772980836186
Energy: 1.0769818278395742
Energy: 1.002697458053896
Energy: 0.9878552590658063
Energy: 0.9343647282390697
Energy: 1.0754179304057336
Energy: 1.2526982845042696
Energy: 0.9900873009109966
Energy: 0.9931854948672936
Energy: 0.9896414885747398
Energy: 0.9337784928289716
Energy: 1.048414057499528
Energy: 1.3545597587487406
Energy: 1.0017606643845898
Energy: 0.9917195252684544
Energy: 0.9848041602375238
Energy: 0.988891764692958
Energy: 0.9873362380021848
Energy: 1.5639685918764858
Energy: 0.9600629002093846
Energy: 0.932363692285528
Energy: 0.9337080681795857
Energy: 0.9626147291431498
Energy: 0.9806511183535814

minimum gb energy = 0.9093715585301789 eV
minimum distance =  2.28089064325507 Angstroms
sigma value = 51


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

Energy: 1.5925966079009752
Energy: 0.9475579087816492
Energy: 0.9483867437524663
Energy: 1.0257341495733467
Energy: 1.0437307842387216
Energy: 1.0223307986494383
Energy: 1.3072938564060392
Energy: 0.9468400167898544
Energy: 0.9447403312159098
Energy: 1.013789277695549
Energy: 0.9448003649039458
Energy: 0.9620902430556068
Energy: 1.4254802088126979
Energy: 0.9453990098653313
Energy: 0.9467077765888126
Energy: 0.9860238504179961
Energy: 0.9450008501973339
Energy: 0.9602304701467983
Energy: 1.4221303866528219
Energy: 0.979749493050468
Energy: 0.9443994086557644
Energy: 0.9814474562330131
Energy: 0.9451745138148757
Energy: 0.9777510038668414
Energy: 1.2256675387657943
Energy: 1.0155764874805384
Energy: 1.0133746766485368
Energy: 1.0129215165163203
Energy: 1.012732851985871
Energy: 1.0124853904765916
Energy: 1.2260869561024093
Energy: 1.0144127569963535
Energy: 1.0129809460252068
Energy: 1.0124053667046033
Energy: 1.012507313730155
Energy: 1.0118393638771357
Energy: 1.2261529914492821
Energy: 1.0139058463475825
Energy: 1.012198373575661
Energy: 1.012812580237052
Energy: 1.002986520005763
Energy: 1.0116035746912122
Energy: 1.251136486634795
Energy: 0.9604998078770663
Energy: 0.9488689155040225
Energy: 0.9454993281937922
Energy: 0.9543059185963865
Energy: 0.9486329466833091
Energy: 1.0752633202303907
Energy: 0.9528268392594442
Energy: 0.9490322002532986
Energy: 0.9506301677621548
Energy: 0.9529805920875658
Energy: 0.945645466172969
Energy: 1.0750978542553895
Energy: 0.9902326643786576
Energy: 0.9448959988895451
Energy: 0.9442099975435971
Energy: 0.9889764175236728
Energy: 0.9445266778221307
Energy: 1.1169085236045764
Energy: 0.9578595319069756
Energy: 0.9582083932968106
Energy: 0.9571451419209802
Energy: 0.9585592289796879
Energy: 0.957979740758422
Energy: 1.0978730548837723
Energy: 0.9597830423512267
Energy: 0.9620790310332872
Energy: 0.9590031684018324
Energy: 1.0056679797208092
Energy: 0.9605612980058436
Energy: 1.09691057516188
Energy: 0.9811571600739643
Energy: 0.9810969442758549
Energy: 0.981470637073717
Energy: 0.9817060970074358
Energy: 0.981517018125034
Energy: 1.0986763253139724
Energy: 0.983116492685917
Energy: 0.9820675513541786
Energy: 0.9811743143274335
Energy: 0.9858513829495092
Energy: 0.9820279467861028
Energy: 1.305675557161812
Energy: 0.9821703546897824
Energy: 0.9824817977044792
Energy: 1.0001345328104834
Energy: 0.9824536036713513
Energy: 0.987387923046333
Energy: 1.305628528797134
Energy: 0.9824524030459152
Energy: 0.9819308335026697
Energy: 1.000784657065993
Energy: 0.9822681959088461
Energy: 1.0011897235445788
Energy: 1.3300201498545345
Energy: 0.9835968067477832
Energy: 0.9818810562427571
Energy: 0.9844028183769369
Energy: 0.982915174339255
Energy: 0.9820227937798606
Energy: 1.5358199101786127
Energy: 0.9445370308483982
Energy: 0.9307999330137666
Energy: 0.9498897727597606
Energy: 0.9444996283860809
Energy: 0.9698645804162407

minimum gb energy = 0.9307999330137666 eV
minimum distance =  2.26640298826035 Angstroms
sigma value = 19


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

Energy: 1.3311222300100884
Energy: 0.9189449445260994
Energy: 0.918696698158718
Energy: 0.9169610019227117
Energy: 0.8702029126466453
Energy: 0.9171341120347516
Energy: 1.3385032131582613
Energy: 0.8946171003546255
Energy: 0.8945053677295574
Energy: 0.8914804537843434
Energy: 0.8918978183900027
Energy: 0.8951021386404632
Energy: 1.4095830510243372
Energy: 0.8920089292337394
Energy: 0.8904151047991662
Energy: 0.8930892179297155
Energy: 0.8900774801355009
Energy: 0.8935911679496578
Energy: 1.144481721816317
Energy: 0.8924680818069757
Energy: 0.8934513159041595
Energy: 0.8998899734281045
Energy: 0.8915496645880336
Energy: 0.8926816289341645
Energy: 1.1554448011864904
Energy: 0.9193754081815511
Energy: 0.9205248256547348
Energy: 0.9211804003335564
Energy: 0.9195769808203826
Energy: 0.9159862921477282
Energy: 1.156322479728649
Energy: 0.8461515953655243
Energy: 0.9169149498055184
Energy: 0.920723476428859
Energy: 0.8494990877255802
Energy: 0.9163212734531525
Energy: 1.1565281664084461
Energy: 0.9186411653030616
Energy: 0.9175838989729354
Energy: 0.9195973660754362
Energy: 0.9222422369523281
Energy: 0.9167663167768569
Energy: 1.1357939172111302
Energy: 0.8518203511647278
Energy: 0.8520114412027148
Energy: 0.8899294144215986
Energy: 0.8513485409078003
Energy: 0.8503674895295623
Energy: 0.9886128831389154
Energy: 0.8513422125988086
Energy: 0.851454088013632
Energy: 0.893424150953177
Energy: 0.8513914268182409
Energy: 0.8503215801879218
Energy: 0.9885979091285765
Energy: 0.8891825871063764
Energy: 0.8941062789106705
Energy: 0.8913234852951893
Energy: 0.9183925044214127
Energy: 0.894654132330242
Energy: 0.9887520030134404
Energy: 0.9654901689302735
Energy: 0.9651656459842213
Energy: 0.8856189317436219
Energy: 0.9668471050442353
Energy: 0.8918647819170838
Energy: 1.1557019377072337
Energy: 0.9200726822926379
Energy: 0.922163784372529
Energy: 0.8907177846980132
Energy: 0.9198686618416505
Energy: 0.889922512703431
Energy: 0.953385715851358
Energy: 0.9192741071566195
Energy: 0.9161774690686117
Energy: 0.8487619069562483
Energy: 0.918358474445707
Energy: 0.920688379284129
Energy: 1.1565284216364786
Energy: 0.9204851832616389
Energy: 0.9192072645312896
Energy: 0.892588992040012
Energy: 0.9194029038727315
Energy: 0.9197274949654566
Energy: 1.3387823393364613
Energy: 0.8885425933564599
Energy: 0.889864097078139
Energy: 0.8513049020035319
Energy: 0.8915310026512844
Energy: 0.8514546555591921
Energy: 1.335802907069181
Energy: 0.8947450825354544
Energy: 0.8485309192965105
Energy: 0.8497028045776244
Energy: 0.8918859578243435
Energy: 0.8510249613765071
Energy: 1.4104862718965272
Energy: 0.8936094426321892
Energy: 0.8932277042421788
Energy: 0.922316819532583
Energy: 0.888229048360624
Energy: 0.8940591361222061
Energy: 1.1492350570374505
Energy: 0.8926999123962197
Energy: 0.8927873489086414
Energy: 0.8997093788411067
Energy: 0.8885651916029192
Energy: 0.8910346712452243
Energy: 1.1409589979446433
Energy: 0.8930476884732168
Energy: 0.8924365713039452
Energy: 0.8998858197129996
Energy: 0.8920792424136668
Energy: 0.8931120055301528
Energy: 1.1570861488046977
Energy: 0.8460194044860218
Energy: 0.9187232615245413
Energy: 0.9190449453261017
Energy: 0.8507176052495228
Energy: 0.9171324666746853
Energy: 1.1489310701751756
Energy: 0.9169702647560694
Energy: 0.9187636060258463
Energy: 0.9184753213143232
Energy: 0.9209523852629402
Energy: 0.9173346966765824
Energy: 1.1564646270620487
Energy: 0.9194281560225925
Energy: 0.9165829079792716
Energy: 0.9192408605889694
Energy: 0.9233792892717313
Energy: 0.9158818436990331
Energy: 0.9683984849753501
Energy: 0.8487911562064497
Energy: 0.8493241062727067
Energy: 1.0462946565193636
Energy: 0.8466498576170638
Energy: 0.9158546491320922
Energy: 0.9887560797207844
Energy: 0.8957057852425949
Energy: 0.8953479055197219
Energy: 0.8916890771804094
Energy: 0.8484265740044536
Energy: 0.8945876434422991
Energy: 0.9889647670392805
Energy: 0.8907390815786366
Energy: 0.89487879494969
Energy: 0.8889907742685978
Energy: 0.8921601370645925
Energy: 0.8929701304015686
Energy: 1.1392396231062931
Energy: 0.8998527236265419
Energy: 0.9006061328170936
Energy: 0.8912914580538221
Energy: 0.8997888263446276
Energy: 0.8946570890344308
Energy: 1.1560679755151646
Energy: 0.9208662616463383
Energy: 0.9159633375049164
Energy: 0.9195303877010865
Energy: 0.920558550146414
Energy: 0.9192489912435218
Energy: 0.9539976612895408
Energy: 0.9172591834801095
Energy: 0.9162818393001462
Energy: 0.8504671785254125
Energy: 0.9186683938591863
Energy: 0.9169866132410563
Energy: 1.1562626223199985
Energy: 0.9159862570096031
Energy: 0.9169622256193345
Energy: 0.8695771618970031
Energy: 0.9198096757697999
Energy: 0.9168359591251244
Energy: 1.3358720142303289
Energy: 0.8941606794416512
Energy: 0.8493027526640109
Energy: 0.8509771087516745
Energy: 0.8932083302493191
Energy: 0.8513473083238636

minimum gb energy = 0.8460194044860218 eV
minimum distance =  2.37574114837339 Angstroms
sigma value = 27


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

Energy: 1.1408140032824743
Energy: 1.1479520156535215
Energy: 1.1501743777837241
Energy: 0.8903916283717734
Energy: 0.9674647514158701
Energy: 1.14956622231832
Energy: 1.0498143471338512
Energy: 0.9600033928356679
Energy: 0.8901362668522158
Energy: 0.9164276633690288
Energy: 0.9591178964030568
Energy: 0.8895820179797967
Energy: 1.0319258566917975
Energy: 0.8893939806885756
Energy: 0.8922099811364393
Energy: 0.8909316439308002
Energy: 0.960053901970838
Energy: 0.8912544086976059
Energy: 0.9114990617868265
Energy: 0.9020185228714306
Energy: 0.9043320952824376
Energy: 0.8920558322273211
Energy: 0.961340552760865
Energy: 0.8924275839295239
Energy: 1.1491179431625633
Energy: 0.8267623394616684
Energy: 0.8911524986572801
Energy: 0.9580603806599859
Energy: 0.8278469182129236
Energy: 0.8918060631387689
Energy: 0.9971892289452908
Energy: 0.8272054358642144
Energy: 0.8272294089673312
Energy: 0.9576209614077161
Energy: 0.828597376275306
Energy: 0.8272443400474049
Energy: 0.9996553159271365
Energy: 0.8923906253648395
Energy: 0.8902189998867432
Energy: 0.9580902391383227
Energy: 0.8918649892252204
Energy: 0.8903836287936102
Energy: 0.999223620879034
Energy: 0.8953178468983228
Energy: 0.8971599218421696
Energy: 0.9602760825823035
Energy: 0.8869275248685937
Energy: 0.8953414428486509
Energy: 1.0314682174453402
Energy: 0.8854637388765348
Energy: 0.9164282820845749
Energy: 0.960488501358883
Energy: 0.8849358272358877
Energy: 0.8897255575979608
Energy: 0.9113520969376356
Energy: 0.8747374589660395
Energy: 0.8719078703863113
Energy: 0.8761786122232069
Energy: 0.8762033881272785
Energy: 0.8721763113209001
Energy: 1.0321278885663376
Energy: 0.9000603738099462
Energy: 0.8770340146188632
Energy: 0.8759849137652072
Energy: 0.902028394315116
Energy: 0.8762853093072588
Energy: 1.0498143466949432
Energy: 0.8750729405684856
Energy: 0.8900402476412541
Energy: 0.9023547009149984
Energy: 0.8751901077235548
Energy: 0.8908684394775744

minimum gb energy = 0.8267623394616684 eV
minimum distance =  2.31859016854526 Angstroms
sigma value = 9


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

Energy: 1.967856258813642
Energy: 0.8884300454009918
Energy: 0.7826222591415082
Energy: 0.9630099339407597
Energy: 0.8541406248773766
Energy: 0.7830404312821553
Energy: 0.8192266046936707
Energy: 0.8389703094722042
Energy: 0.7938457629215168
Energy: 0.8062450894975134
Energy: 0.8383831694305265
Energy: 0.7970022743946887
Energy: 0.8833713764208141
Energy: 0.8163175122675659
Energy: 0.7915748017502106
Energy: 0.8280144257715959
Energy: 0.8403927814973831
Energy: 0.7930693887287866
Energy: 0.8835911657375919
Energy: 0.8067936931249228
Energy: 0.7949066923260848
Energy: 0.8349822041031072
Energy: 0.8066370779312796
Energy: 0.794722928210279
Energy: 0.9579264359253263
Energy: 0.8524043950825567
Energy: 0.8233524709525125
Energy: 0.8967687847174467
Energy: 0.8666326151598394
Energy: 0.7968836186091497
Energy: 0.8968566513884556
Energy: 0.8313495115560147
Energy: 0.8268846627355122
Energy: 0.8967606163802839
Energy: 0.8232629318431504
Energy: 0.7904813932012632
Energy: 0.897289768925954
Energy: 0.8057733756401075
Energy: 0.7937410447626588
Energy: 0.8968756685676219
Energy: 0.816586949764558
Energy: 0.7945997174235362
Energy: 0.8962544759529284
Energy: 0.8339204716833717
Energy: 0.7935011082051858
Energy: 0.896439378272101
Energy: 0.8291457086553987
Energy: 0.8212902880151318
Energy: 1.2503919431055612
Energy: 0.82709074875033
Energy: 0.7931912004820251
Energy: 0.8816244149314949
Energy: 0.8861167452139674
Energy: 0.7952286612973734
Energy: 0.8179549178670507
Energy: 0.8671419612522673
Energy: 0.8056967343244892
Energy: 0.8205486677770105
Energy: 0.8672535392641095
Energy: 0.8276126091311446
Energy: 0.8182356688255573
Energy: 0.8807905125014236
Energy: 0.7927889884453823
Energy: 0.8249559214057067
Energy: 0.8980734334393582
Energy: 0.7949369481112075
Energy: 1.0712794779443304
Energy: 0.8981340406872466
Energy: 0.8843641092311826
Energy: 0.8369898888463063
Energy: 0.8972703420253222
Energy: 0.8076539678110103
Energy: 1.1781612102408825
Energy: 0.9916921266620715
Energy: 0.9311769099930536
Energy: 0.7908622833233987
Energy: 0.883058481342061
Energy: 0.7990249172394035
Energy: 0.9633914597414536
Energy: 0.8821208654352446
Energy: 0.7846952011725055
Energy: 0.8130594211437173
Energy: 0.8969222185466018
Energy: 0.806446928099186
Energy: 0.8653813859287908
Energy: 0.8298518163189974
Energy: 0.801394213047636
Energy: 0.8400618873133886
Energy: 0.8345116413412818
Energy: 0.8624621923432406
Energy: 0.8652185182404092
Energy: 0.8111803976764663
Energy: 0.8021444786532714
Energy: 0.8398215503632678
Energy: 0.8185825301305661
Energy: 0.7959610504227114
Energy: 0.8643921900067585
Energy: 0.8033935007321379
Energy: 0.7924063152378994
Energy: 0.8383312508689064
Energy: 0.8345421065788984
Energy: 0.8033083195791321
Energy: 0.8835884958160772
Energy: 0.8042948370135677
Energy: 0.7929408683496891
Energy: 0.8391057178676193
Energy: 0.8477996249105216
Energy: 0.798629145991792
Energy: 0.8841172679660225
Energy: 0.7952947670927317
Energy: 0.7969609667120683
Energy: 0.8152562421932305
Energy: 0.7943713159225556
Energy: 0.7998020866500696
Energy: 0.8825817028440028
Energy: 0.8088977715001157
Energy: 0.8015500780153196
Energy: 0.8014960744660783
Energy: 0.801741890426974
Energy: 0.7997638435186805
Energy: 0.8826239375763523
Energy: 0.7943112860931592
Energy: 0.7939108432893566
Energy: 0.7948103330454173
Energy: 0.7917123385312113
Energy: 0.785168303620518
Energy: 0.9174011791282681
Energy: 0.8149988672511741
Energy: 0.7706671886379773
Energy: 0.8674168279870343
Energy: 0.8400562775451781
Energy: 0.825236750025415
Energy: 0.9118078597859479
Energy: 0.8433341314566503
Energy: 0.8274010597349082
Energy: 0.8656685985456903
Energy: 0.8388003565507629
Energy: 0.792163920125373
Energy: 0.8831320217340611
Energy: 0.8405084603017655
Energy: 0.7941539803844418
Energy: 0.8282843761754265
Energy: 0.8418166600497381
Energy: 0.7955636964570943
Energy: 1.1954142719240985
Energy: 0.841224722660943
Energy: 0.8420563394736149
Energy: 0.7941119241967499
Energy: 0.8405224631448893
Energy: 0.795726758775628
Energy: 0.8817620359016227
Energy: 0.8054911012299081
Energy: 0.818048640435061
Energy: 0.8640724637212467
Energy: 0.8263484185340415
Energy: 0.7956401591180413
Energy: 0.8346708582448569
Energy: 0.832108319962439
Energy: 0.8310169694889378
Energy: 0.8348928674543861
Energy: 0.8219577543968721
Energy: 0.8299819804296272
Energy: 0.8969605785704187
Energy: 0.8050799651117735
Energy: 0.8169744912840062
Energy: 0.8971508529075822
Energy: 0.8378315994657256
Energy: 0.7939626178567998
Energy: 0.8974635553176997
Energy: 0.8062969542259826
Energy: 0.7956702889285439
Energy: 0.8976798102317518
Energy: 0.8552998110142371
Energy: 0.8059881772275882
Energy: 0.8562861840976229
Energy: 0.8157934128685028
Energy: 0.8721601516617796
Energy: 0.9123151628615381
Energy: 0.8138177145696309
Energy: 0.8137506864940403
Energy: 0.8186167889281354
Energy: 0.86737818532056
Energy: 0.7947748826989735
Energy: 0.8260085537787559
Energy: 0.8819023483839665
Energy: 0.7941114135151107
Energy: 0.8281283746982028
Energy: 0.8613233171029936
Energy: 0.7960329837010233
Energy: 0.8200909373788844
Energy: 0.8967844512760577
Energy: 0.8251828256910424
Energy: 1.0709486104900245
Energy: 0.8987378588612613
Energy: 0.8625052552027953
Energy: 0.8618188350330763
Energy: 0.8979593874931744
Energy: 0.7953639378106034
Energy: 0.8719538655429522
Energy: 0.8979165101970005
Energy: 0.7973570677951344
Energy: 0.8545245796287851
Energy: 0.8970922043138745
Energy: 0.7909214118908031
Energy: 0.8662881017418999
Energy: 0.8755684378187392
Energy: 0.7968710086761049
Energy: 0.8526066939229724
Energy: 0.8975674517090834
Energy: 0.8339915182303896
Energy: 0.868509144264868
Energy: 0.7695590222928199
Energy: 0.7956721461125543
Energy: 0.884469385382318
Energy: 0.7669612434499591
Energy: 0.7944075930414193
Energy: 0.8640718309203764
Energy: 0.8017702222187999
Energy: 0.795191659509472
Energy: 0.8405508437592739
Energy: 0.8247371184601919
Energy: 0.7927869862634798
Energy: 0.8643421080314536
Energy: 0.8091613776515606
Energy: 0.8103182051929025
Energy: 0.8381277278555256
Energy: 0.8076527766183466
Energy: 0.7973801591480617
Energy: 0.9152415307745659
Energy: 0.7899024604233241
Energy: 0.8015024890492816
Energy: 0.9180035733938253
Energy: 0.8384871528282859
Energy: 0.9628863016164478
Energy: 0.8844999633260362
Energy: 0.8107511044359145
Energy: 0.811416357440367
Energy: 0.8384262820217238
Energy: 0.8070215513035839
Energy: 0.7976414502590868
Energy: 0.8791840774796656
Energy: 0.8021433169546601
Energy: 0.7961652389397569
Energy: 0.8015285896813871
Energy: 0.8035897958660971
Energy: 0.7920608196627115
Energy: 0.88415641570098
Energy: 0.7912111729880601
Energy: 0.7929409522540268
Energy: 0.8031698837369602
Energy: 0.8093207084541765
Energy: 0.7962531653494563
Energy: 0.9124101565584208
Energy: 0.8119925375746834
Energy: 0.8031782870908214
Energy: 0.8657082367717398
Energy: 0.8413545426048078
Energy: 0.7781846757583556

minimum gb energy = 0.7669612434499591 eV
minimum distance =  2.29944524760545 Angstroms
sigma value = 57


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

Energy: 0.3994736163841845
Energy: 0.4301759821542313
Energy: 0.44464113786912973
Energy: 0.4029192970401378
Energy: 0.46248340347164696
Energy: 0.40219755767265525
Energy: 0.40063771003302345
Energy: 0.43528840695706866
Energy: 0.4475114034577994
Energy: 0.46253607005409536
Energy: 0.42842845974874466
Energy: 0.44533872967796767
Energy: 0.5260226742848654
Energy: 0.43648565850554827
Energy: 0.43460529155004624
Energy: 0.46593069921880703
Energy: 0.46561675966500105
Energy: 0.45179407069502014
Energy: 0.5262389364359075
Energy: 0.43211589070146533
Energy: 0.43375486539757635
Energy: 0.45306804913827
Energy: 0.46734836824482323
Energy: 0.4492950523705037
Energy: 0.5213088959556074
Energy: 0.43525578945688
Energy: 0.43434114201755475
Energy: 0.4691805212143201
Energy: 0.4022291500112985
Energy: 0.45032871936155494
Energy: 0.4630028049818905
Energy: 0.4034880450473969
Energy: 0.4416118475943868
Energy: 7.530248055976018
Energy: 0.40117105581446516
Energy: 0.4414145184956168
Energy: 0.4574820123820301
Energy: 0.43151716055374584
Energy: 0.4379061332481025
Energy: 0.46035352917361866
Energy: 0.4268087878190621
Energy: 0.44806303273005155
Energy: 0.46364361689724615
Energy: 0.42983462085388874
Energy: 0.4308482122579439
Energy: 0.4642789818616662
Energy: 0.43213185646364927
Energy: 0.4511664193137172
Energy: 0.5206183412032949
Energy: 0.44855270335527153
Energy: 0.45002857677593333
Energy: 0.46368661613238715
Energy: 0.4692814521258867
Energy: 0.45164063829419754
Energy: 0.4003130980207171
Energy: 0.4516651865466051
Energy: 0.40276089607347904
Energy: 0.40067590636180517
Energy: 0.4675789938441451
Energy: 0.4442751727666499
Energy: 0.4003090902164631
Energy: 0.4304370328603611
Energy: 0.4483530614354369
Energy: 0.40112368891406824
Energy: 0.4274632605569347
Energy: 0.4029957855124005
Energy: 0.5237885342534107
Energy: 0.43337147592738356
Energy: 0.4452566162995268
Energy: 0.42714326579266304
Energy: 0.463816061947923
Energy: 0.4445779603897636
Energy: 0.526488087183629
Energy: 0.4834974056066108
Energy: 0.4697984623958392
Energy: 0.4315929371396157
Energy: 0.5281228057032421
Energy: 0.4256661196138389
Energy: 0.5222624863112967
Energy: 0.4681181795733201
Energy: 0.4481989116206984
Energy: 0.4655256398607101
Energy: 0.46627044060109496
Energy: 0.44800865781989596
Energy: 0.4251400408074562
Energy: 0.4027780408932959
Energy: 0.4033821941381937
Energy: 0.4342332711444634
Energy: 0.40677588845362367
Energy: 0.40443826519093046
Energy: 0.46084839928200727
Energy: 0.4484484149406371
Energy: 0.4453266633844507
Energy: 0.43732090726963296
Energy: 0.40743991615133074
Energy: 0.4493632244837615
Energy: 0.46252465790200276
Energy: 0.41589074673417026
Energy: 0.45171927638333614
Energy: 0.46370910803473714
Energy: 0.4766353595085479
Energy: 0.4501281867442311
Energy: 0.5250960864740755
Energy: 0.43075719026156184
Energy: 0.4522145001322409
Energy: 0.5279190852512187
Energy: 0.43283992770329716
Energy: 0.4505576799204209
Energy: 0.40047147274264466
Energy: 0.42991111661489184
Energy: 0.4480733012722955
Energy: 0.40164123475848634
Energy: 0.42947434300995496
Energy: 0.45255327403629714

minimum gb energy = 0.3994736163841845 eV
minimum distance =  2.3832474326734 Angstroms
sigma value = 11


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

Energy: 1.652449416873191
Energy: 0.7297743383368063
Energy: 0.7898388641369868
Energy: 0.7679326225459187
Energy: 0.726485871576181
Energy: 0.7877611561765427
Energy: 0.7419760799909729
Energy: 0.7330786213114064
Energy: 0.7361440034938742
Energy: 0.7212884825750314
Energy: 0.7329181880778175
Energy: 0.7391979147758967
Energy: 0.7193283003189667
Energy: 0.725704742998294
Energy: 0.7282480570264952
Energy: 0.7205015796936369
Energy: 0.726501168383558
Energy: 0.7254953890184466
Energy: 0.7205384202862015
Energy: 0.7339499774893927
Energy: 0.7391716524386399
Energy: 0.7215305766563554
Energy: 0.7295899546172168
Energy: 0.7380694274797831
Energy: 0.7209636589906049
Energy: 0.7603046365724817
Energy: 0.7572782459823908
Energy: 0.7288592057564411
Energy: 0.7663665443676744
Energy: 0.7520598846629244
Energy: 0.7841620785472407
Energy: 0.754860317416829
Energy: 0.7505764684892372
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Energy: 0.7545793648012791
Energy: 0.7597970157178625
Energy: 0.7842696383382675
Energy: 0.7255512882600339
Energy: 0.7285596069123363
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Energy: 0.7294190856104512
Energy: 0.7428056765487996
Energy: 0.7325501175466046
Energy: 0.7260425919373557
Energy: 0.7503880734809746
Energy: 0.7318765002758513
Energy: 0.7268495932745633
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Energy: 0.7414069101129175
Energy: 0.7526669268458007
Energy: 0.7277670121355394
Energy: 0.7327920994280435
Energy: 0.7520533198425724
Energy: 0.8472013017469423
Energy: 0.7623658494369783
Energy: 0.7604281775673336
Energy: 0.7161226547773577
Energy: 0.7373836466297403
Energy: 0.7494215137600412
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Energy: 0.7465331698398657
Energy: 0.7591551348886547
Energy: 0.7485674337416456
Energy: 0.7445148897681394
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Energy: 0.8848850563260788
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Energy: 0.7231792607083367
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Energy: 0.8384708580133886
Energy: 0.6958179805679088
Energy: 0.7442267946158088
Energy: 0.730095786994216
Energy: 0.6999004135964704
Energy: 0.7363033946509461
Energy: 0.8378429333473525
Energy: 0.7604307772952561
Energy: 0.7601743406272466
Energy: 0.7635704576621217
Energy: 0.7643107546244908
Energy: 0.7601102291453703
Energy: 0.8822826307386797
Energy: 0.7432654370359764
Energy: 0.8779890221401455
Energy: 0.7506354025530415
Energy: 0.7359548162954173
Energy: 0.7432135253166134
Energy: 1.044767390103079
Energy: 0.7631163271143303
Energy: 0.75945691900322
Energy: 0.7473753120574099
Energy: 0.7669690473491121
Energy: 0.7599045781647936
Energy: 1.182084113643199
Energy: 0.7475948012936109
Energy: 0.7303317192061549
Energy: 0.7013080883507187
Energy: 0.7685291099098635
Energy: 0.7370985637407379
Energy: 1.2912687649276793
Energy: 0.7689862346842746
Energy: 0.7623493393852366
Energy: 0.7741601156224561
Energy: 0.7422926528811206
Energy: 0.7617722225459022
Energy: 1.0587382872992566
Energy: 0.7592230902498189
Energy: 0.7544274857030794
Energy: 0.7606026804947238
Energy: 0.7267629898620757
Energy: 0.7508290772481917
Energy: 0.9681978944180836
Energy: 0.7324496235704868
Energy: 0.7403510907304202
Energy: 0.7253925744425619
Energy: 0.8312738637355603
Energy: 0.7442192009175508
Energy: 1.045036586404885
Energy: 0.760936088698933
Energy: 0.7654883712775736
Energy: 0.7443084002081983
Energy: 0.7591450908197613
Energy: 0.7463639533138012
Energy: 0.7749873576332517
Energy: 0.7412528046240379
Energy: 0.7364133972554235
Energy: 0.7474374131024059
Energy: 0.7395708525580744
Energy: 0.7577648430455117
Energy: 0.7230004555534598
Energy: 0.7503322161423517
Energy: 0.7489989405114165
Energy: 0.7388961101057349
Energy: 0.7536030744905178
Energy: 0.7469673673943019
Energy: 0.7254126127250607
Energy: 0.7269663855530696
Energy: 0.7272254623155026
Energy: 0.7271276231440773
Energy: 0.7222654211995385
Energy: 0.7277889658051633
Energy: 0.7206915607562223
Energy: 0.7252498995560048
Energy: 0.7432249558069853
Energy: 0.7182322888713816
Energy: 0.7215424422512166
Energy: 0.7398941010461542
Energy: 0.8285272482110364
Energy: 0.7378663193875268
Energy: 0.7526033235403975
Energy: 0.7664254558603819
Energy: 0.7350415840969664
Energy: 0.7581206899956183

minimum gb energy = 0.6958179805679088 eV
minimum distance =  2.32775237383379 Angstroms
sigma value = 41


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

Energy: 1.5700402286275137
Energy: 0.8042193881544379
Energy: 0.807269671838199
Energy: 0.8558989553338628
Energy: 0.8166445103780023
Energy: 0.8519281410185097
Energy: 0.8257445848273819
Energy: 0.8027096313575084
Energy: 0.8013243657650966
Energy: 0.7921909689589725
Energy: 0.8038318160613301
Energy: 0.7977369053058488
Energy: 0.7936501256042657
Energy: 0.790163829128792
Energy: 0.7887174185729285
Energy: 0.7908697079480554
Energy: 0.7916517861885601
Energy: 0.7885149606925991
Energy: 0.7923869944065401
Energy: 0.8022155358833808
Energy: 0.7967492040973919
Energy: 0.791583886125937
Energy: 0.7891214348920774
Energy: 0.7934536572550234
Energy: 0.7928102593136994
Energy: 0.8018817997820475
Energy: 0.8005114526197897
Energy: 0.8056436467228616
Energy: 0.801816806276929
Energy: 0.8482412468140363
Energy: 0.8901343576730697
Energy: 0.7906396650613675
Energy: 0.7954330598849799
Energy: 0.8055211214389248
Energy: 0.7876861601348246
Energy: 0.7984792108729639
Energy: 0.8931200687822879
Energy: 0.7897554448345263
Energy: 0.7918746544186374
Energy: 0.8046413736254379
Energy: 0.8028283328513898
Energy: 0.795940937651311
Energy: 0.8272039878735525
Energy: 0.8132057807992774
Energy: 0.8032641420207195
Energy: 0.7534234908232728
Energy: 0.8126622450878714
Energy: 0.7554395401084008
Energy: 1.1237107292964117
Energy: 0.7993007441434071
Energy: 0.8051004239553613
Energy: 0.8036683253075171
Energy: 0.7936827251398931
Energy: 0.8046136503375843
Energy: 0.8923411715833549
Energy: 0.796719462299774
Energy: 0.797937854776234
Energy: 0.789901040129815
Energy: 0.8060685579617085
Energy: 0.7965174201154285
Energy: 0.8929432231232838
Energy: 0.8005311819115856
Energy: 0.8458488369416607
Energy: 0.7905149133684425
Energy: 0.8043412661527944
Energy: 0.8031718468066334
Energy: 0.8917993878582425
Energy: 0.7655998985390658
Energy: 0.8015951031669357
Energy: 0.8083719122664189
Energy: 0.7514683504124193
Energy: 0.7994286480468059
Energy: 0.799458964360188
Energy: 0.7525878601758172
Energy: 0.7531791050996074
Energy: 0.8043108411847272
Energy: 0.7510330996756731
Energy: 0.7534612994778153
Energy: 0.7964456518613048
Energy: 0.8022162207875879
Energy: 0.8025479605293383
Energy: 0.7913593877265815
Energy: 0.8023771791687306
Energy: 0.8035351544308732
Energy: 0.8154585342709783
Energy: 0.7975213978068854
Energy: 0.7921838261466926
Energy: 0.7918023551549359
Energy: 0.7894836904570428
Energy: 0.7995584719048384
Energy: 0.7915098715963416
Energy: 0.7997356909165241
Energy: 0.7970737989975852
Energy: 0.8052919313721703
Energy: 0.8037844561470509
Energy: 0.7932683393264566
Energy: 0.9533391560709908
Energy: 0.8047295879041555
Energy: 0.7919223459756615
Energy: 0.75568757237169
Energy: 0.8079246045667324
Energy: 0.8143629902650174
Energy: 0.8258972876706002
Energy: 0.8051201024722394
Energy: 0.8053281749345862
Energy: 0.7783113409571154
Energy: 0.805455765011104
Energy: 0.7830058711575528
Energy: 0.7915292100018554
Energy: 0.7887393795247849
Energy: 0.7910372719361283
Energy: 0.790381029656358
Energy: 0.7900613842987697
Energy: 0.7938887828301758
Energy: 0.7962878406709528
Energy: 0.788071345444744
Energy: 0.7897885564181801
Energy: 0.7921936217560732
Energy: 0.7891211963650958
Energy: 0.7893952890206267
Energy: 0.791789908615027
Energy: 0.793378100359628
Energy: 0.7956969640648583
Energy: 0.8045066879821136
Energy: 0.7925041810566114
Energy: 0.7995815596041016
Energy: 1.0855209020663068
Energy: 0.7984116288150277
Energy: 0.8051922934725348
Energy: 1.0866304008568575
Energy: 0.791950011407035
Energy: 0.8021118408112732
Energy: 0.8922038190444473
Energy: 0.7931047606291338
Energy: 0.7941389228944384
Energy: 0.8035629335280673
Energy: 0.7921971080183319
Energy: 0.7971894568732374
Energy: 0.8271490626603606
Energy: 0.791755074344689
Energy: 0.7979132550834326
Energy: 0.7532950777964347
Energy: 0.7951127407095604
Energy: 0.7550016476920479
Energy: 0.8931871974417277
Energy: 0.7898426790370817
Energy: 0.7918376548108301
Energy: 0.8025448722480261
Energy: 0.7902735169420104
Energy: 0.7971755942720461
Energy: 0.89277241509715
Energy: 0.8040410985894653
Energy: 0.8047674441148401
Energy: 0.7901502244794758
Energy: 0.8055452413563648
Energy: 0.8058312299458256
Energy: 0.8922909554055407
Energy: 0.7998676012606742
Energy: 0.7979697302284152
Energy: 0.7904950595058354
Energy: 0.8067605296269929
Energy: 0.7962871560076038
Energy: 1.1242309988221526
Energy: 0.7919650485609756
Energy: 0.8437109678461558
Energy: 0.8055085381596058
Energy: 0.7932126895859763
Energy: 0.8050291557656843
Energy: 0.8000219347233082
Energy: 0.7501645787347438
Energy: 0.7523089922282896
Energy: 0.8035436544664568
Energy: 0.7509715426368865
Energy: 0.7519606249581138
Energy: 0.8805745449755593
Energy: 0.8060694722579007
Energy: 0.8057964287674586
Energy: 0.8380437237386178
Energy: 0.8060618264160516
Energy: 0.8055738990224172
Energy: 0.8006655229685826
Energy: 0.7885470575514996
Energy: 0.7900031988135562
Energy: 0.7920792696872017
Energy: 0.7900093911026296
Energy: 0.7918592309549719
Energy: 0.7909428108173335
Energy: 0.8029836886279017
Energy: 0.7963627374041815
Energy: 0.8041525431116052
Energy: 0.7907879915275897
Energy: 0.7917281537968384
Energy: 0.952410907849205
Energy: 0.8068864294560347
Energy: 0.7783082959686161
Energy: 0.7539877840426523
Energy: 0.8042686819826212
Energy: 0.7943753189733556

minimum gb energy = 0.7501645787347438 eV
minimum distance =  2.33545958428837 Angstroms
sigma value = 33


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

Energy: 1.0014538367025145
Energy: 0.811737815051707
Energy: 0.8124318788872525
Energy: 0.809921348460239
Energy: 0.850108405847627
Energy: 0.8114799432588381
Energy: 0.9242305816411491
Energy: 0.8603651708646194
Energy: 0.8441313184509157
Energy: 0.8585522823738094
Energy: 0.8641748078192598
Energy: 0.8581002714174666
Energy: 0.8735627649933765
Energy: 0.8415405384793311
Energy: 0.8395231791773763
Energy: 0.8437079237607976
Energy: 0.8402397264707269
Energy: 0.8368053778383899
Energy: 0.8703301642195468
Energy: 0.8396024818188393
Energy: 0.8550695071498474
Energy: 0.8479557779804338
Energy: 0.8444130455560911
Energy: 0.8383074392444778
Energy: 0.8726575462917221
Energy: 0.8569684053927918
Energy: 0.820289011656289
Energy: 0.8919040014407494
Energy: 0.8528196198133657
Energy: 0.8197001228993859
Energy: 0.9351715709039096
Energy: 0.8361355462428545
Energy: 0.8354792290422431
Energy: 0.8408944727963906
Energy: 0.8485173617624008
Energy: 0.838042570083002
Energy: 0.9246590591933271
Energy: 0.8537883844877026
Energy: 0.8424267695474403
Energy: 0.8847791807391208
Energy: 0.8643934137805174
Energy: 0.8410513287731202
Energy: 0.9982670065764716
Energy: 0.8455327877757405
Energy: 0.8093670644518822
Energy: 0.8091734689393715
Energy: 0.8414641588067083
Energy: 0.8089705278637175
Energy: 0.923117954790829
Energy: 0.8454471570038855
Energy: 0.8682539945563494
Energy: 0.8232481323418179
Energy: 0.8408143314372879
Energy: 0.8203558879641608
Energy: 1.0108292890233046
Energy: 0.8427175524180223
Energy: 0.8398032331731851
Energy: 0.842449381939392
Energy: 0.8411685098457913
Energy: 0.837329322645247
Energy: 0.9241985764495728
Energy: 0.8421257793124944
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Energy: 0.8463511690897509
Energy: 0.8629680284650874
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Energy: 0.9243034183249412
Energy: 0.8593544128352939
Energy: 0.8091248561050405
Energy: 0.8205096244823396
Energy: 0.8366390007361477
Energy: 0.8092576750938336
Energy: 0.938573390391672
Energy: 0.8069926173821442
Energy: 0.8080939591835845
Energy: 0.82013097729474
Energy: 0.8112386444999115
Energy: 0.8072640289826741
Energy: 0.8679349171814926
Energy: 0.8502788134458253
Energy: 0.8415643707612893
Energy: 0.8651431105671665
Energy: 0.8524938083725798
Energy: 0.8399322364145525
Energy: 0.8085321893749545
Energy: 0.8445522925976376
Energy: 0.8397851361906493
Energy: 0.8391931500198442
Energy: 0.8423387145975805
Energy: 0.83892125618702
Energy: 0.8727340394311094
Energy: 0.8475105112235198
Energy: 0.8419672405559708
Energy: 0.8637939026176508
Energy: 0.8665422968366517
Energy: 0.8430389943909997
Energy: 1.007267804816719
Energy: 0.8422444038264617
Energy: 0.842224532258685
Energy: 0.8406855359924731
Energy: 0.8425215701268948
Energy: 0.8391157504737766
Energy: 0.9232916792217678
Energy: 0.8218862969407182
Energy: 0.8201599340188732
Energy: 0.8821631617125674
Energy: 0.8260385891036913
Energy: 0.820882504625124
Energy: 0.8688896802374706
Energy: 0.8132636103808895
Energy: 0.809167133958007
Energy: 0.8410204468307103
Energy: 0.8149788963705926
Energy: 0.8384723644285252
Energy: 0.884589348367896
Energy: 0.8097485471900664
Energy: 0.8070295609616227
Energy: 0.8409617154471751
Energy: 0.8145267244416086
Energy: 0.8382385052322598
Energy: 0.8200745109028388
Energy: 0.8582379359905875
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Energy: 0.8200627324833561
Energy: 0.8639200596104248
Energy: 0.8211455602683575
Energy: 0.9015360487770334
Energy: 0.8368257660324762
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Energy: 0.8418995007892712
Energy: 0.8394984562752277
Energy: 0.8460128357196436
Energy: 0.8706045282283577
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Energy: 0.8577537925894044
Energy: 0.8399499692740645
Energy: 0.8873139059583364
Energy: 0.820300055757196
Energy: 0.9210899468372045
Energy: 0.8393995957113822
Energy: 0.807229856790585
Energy: 0.8115756447675567
Energy: 0.8234909786696983
Energy: 0.8069215471562617
Energy: 0.9202803602006391
Energy: 0.8628856066470405
Energy: 0.844699404015596
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Energy: 0.8612491493938362
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Energy: 0.8377950187313209
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Energy: 0.8689165123785582
Energy: 0.8531033048074216
Energy: 0.8528406660066407
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Energy: 0.8224932903592865
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Energy: 0.8098173921624132
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Energy: 0.8405819102511666
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Energy: 0.8088244303410004
Energy: 0.818594849639298
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Energy: 0.8384372969899029
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Energy: 0.855530856248105
Energy: 0.8414841387154842
Energy: 0.8409594233892209
Energy: 0.8843866760591897
Energy: 0.8524875511497474
Energy: 1.0879304929274305
Energy: 0.8201354293719192
Energy: 0.8075600185827487
Energy: 0.809277391194546
Energy: 0.8203579962185499
Energy: 0.8071315510643584

minimum gb energy = 0.8069215471562617 eV
minimum distance =  2.32467091681196 Angstroms
sigma value = 67


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

Energy: 1.1861938083113255
Energy: 0.842076744284351
Energy: 0.8421408325130527
Energy: 0.8424138324449252
Energy: 5.856885057448969
Energy: 0.8420336292966657
Energy: 1.0245866274342628
Energy: 0.8910318696960609
Energy: 0.8890766234482185
Energy: 0.8919785719940257
Energy: 0.8935668508501737
Energy: 0.8882863131806191
Energy: 0.9466484701772562
Energy: 0.8326724166975924
Energy: 0.8755638597185693
Energy: 0.8774879526764819
Energy: 0.8334179362251077
Energy: 0.875133402964373
Energy: 0.9396219511427025
Energy: 0.8745526459071652
Energy: 0.8738585459413778
Energy: 0.8834683024432639
Energy: 0.8767747858739849
Energy: 0.8738442818257942
Energy: 0.9331733844153581
Energy: 0.8948872140210731
Energy: 0.8943346280454215
Energy: 0.9338683202711157
Energy: 0.8948666288855097
Energy: 0.8947233290708619
Energy: 0.9365403978146007
Energy: 0.8684883376351
Energy: 0.8988288258523113
Energy: 0.9372150352074268
Energy: 0.8680497920351773
Energy: 0.8994407864686271
Energy: 1.0250196730201937
Energy: 0.8920149835416876
Energy: 0.8925018720407585
Energy: 0.8338634269685603
Energy: 0.8950156143337956
Energy: 0.8919163312324736

minimum gb energy = 0.8326724166975924 eV
minimum distance =  2.37400204188087 Angstroms
sigma value = 3


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

Energy: 1.2152844778977836
Energy: 1.0459259920948296
Energy: 1.0220922982611078
Energy: 1.0829045399764234
Energy: 1.0480241416036773
Energy: 1.0222968419325427
Energy: 0.9937131281870865
Energy: 1.0088976333161115
Energy: 0.9903511818504784
Energy: 1.0413190128536964
Energy: 1.0258245778397885
Energy: 1.0149255432497895
Energy: 0.9853104782804727
Energy: 0.9899722099710342
Energy: 0.9867281678427591
Energy: 0.9860332622886079
Energy: 0.9899603141639016
Energy: 0.9887905002987086
Energy: 0.9967829921461292
Energy: 1.0009088914804198
Energy: 1.0011042690791792
Energy: 0.9882366176260187
Energy: 0.9849152438936938
Energy: 0.9882362885870781
Energy: 0.9931255307228348
Energy: 0.9842187779349623
Energy: 0.9848126895070805
Energy: 0.9974483839580576
Energy: 0.9842831162272108
Energy: 0.9844100956386981
Energy: 0.9837394705680146
Energy: 0.9846418039309764
Energy: 0.9848812529897223
Energy: 0.984480600223347
Energy: 0.9839824988331908
Energy: 0.9843421350265218
Energy: 0.9843493043443129
Energy: 1.039137143142466
Energy: 1.0492851853855638
Energy: 1.0119624499526356
Energy: 1.0708833787170915
Energy: 0.9988506969156367
Energy: 1.2017498038450711
Energy: 1.0600194796182711
Energy: 1.0334866409051318
Energy: 0.9792642624996373
Energy: 0.9847903258821827
Energy: 1.0367000572860054
Energy: 0.9835618607671198
Energy: 0.9824655417322155
Energy: 1.023137275641698
Energy: 1.014223035560138
Energy: 0.994525985971316
Energy: 1.0235291362945116
Energy: 1.0449714635540204
Energy: 0.9818510270136489
Energy: 0.9837798068275863
Energy: 1.0035946214566456
Energy: 0.980648404149742
Energy: 1.0218575811405426
Energy: 1.0830999910812948
Energy: 1.030555351858975
Energy: 1.0251398390776636
Energy: 1.0554650174748332
Energy: 0.9792418463611993
Energy: 1.0348658361108878
Energy: 1.0818065733490452
Energy: 0.9828009157661254
Energy: 0.9809026954794386
Energy: 1.0085216852843637
Energy: 0.9944639293069601
Energy: 0.9806786752425106
Energy: 1.052552205727829
Energy: 0.9801602217736619
Energy: 0.980570038170186
Energy: 0.9786847118256115
Energy: 0.9803194961534475
Energy: 0.9813936833878186
Energy: 1.0614010247176144
Energy: 0.9888136135409654
Energy: 0.987402187810768
Energy: 0.9943895780922646
Energy: 0.9890315094422792
Energy: 0.9860896962216138
Energy: 1.0985499864931767
Energy: 0.990786787244751
Energy: 0.9883140141194524
Energy: 0.9855049478648906
Energy: 1.0740934951253145
Energy: 1.0482394710329042
Energy: 1.1288461882564447
Energy: 1.0195937302527105
Energy: 1.0197198454582692
Energy: 1.0332535408889705
Energy: 1.0357213899240971
Energy: 1.0152474961397298
Energy: 1.1818906489959582
Energy: 0.992444413770624
Energy: 0.9862599167893695
Energy: 1.0328559690616097
Energy: 0.9933439122751537
Energy: 1.026171099911636
Energy: 1.0652564050578595
Energy: 1.0245892661439417
Energy: 1.0627144672891697
Energy: 1.0009584923291963
Energy: 1.0243568007057502
Energy: 1.060533248245786
Energy: 1.1880331690272778
Energy: 0.9850791764503449
Energy: 0.9901378625810889
Energy: 0.9829249353015236
Energy: 1.027120179942298
Energy: 0.9873906626169499
Energy: 1.147419719454076
Energy: 1.0198407748504226
Energy: 1.013591463295511
Energy: 0.9889779215402527
Energy: 1.0170963397440844
Energy: 0.9895184425866143
Energy: 1.0299400471429552
Energy: 1.0160419316958
Energy: 1.0193214402543003
Energy: 1.0375283836327025
Energy: 1.0131009981117638
Energy: 1.0259475540326202
Energy: 1.0187857071976782
Energy: 1.0533838826749853
Energy: 1.0392962750497798
Energy: 1.0117841557955287
Energy: 1.0419968415950054
Energy: 1.0400287203376608
Energy: 1.018607829653477
Energy: 1.01348714521591
Energy: 1.0258842712253355
Energy: 1.021251299317136
Energy: 0.9910070200927057
Energy: 1.0243341857075847
Energy: 1.0203635840714211
Energy: 0.9784815863162031
Energy: 0.9782727963556322
Energy: 1.0201033031073692
Energy: 0.9804552437833016
Energy: 0.984990719990474
Energy: 0.9873877220796432
Energy: 0.9838937190741601
Energy: 0.9835360916145741
Energy: 1.0390605459565607
Energy: 0.9868319553153782
Energy: 0.9831144516510758
Energy: 1.224746575684345
Energy: 1.0791876135453342
Energy: 1.026673544951008
Energy: 0.9825476331027467
Energy: 1.0810795024597295
Energy: 0.9817637481611577
Energy: 0.978714444526073
Energy: 1.0085743194543826
Energy: 1.0331936548521987
Energy: 0.9826937311834416
Energy: 1.0356803794896459
Energy: 0.9811157521886388
Energy: 0.9886451980377678
Energy: 0.9833386159013633
Energy: 0.9832776741570276
Energy: 1.0163744333287985
Energy: 0.9855187879187898
Energy: 0.9822485208195819
Energy: 0.9957809135280917
Energy: 0.9932267127153315
Energy: 0.989417540770763
Energy: 0.9959883499484686
Energy: 0.9939170906219665
Energy: 0.9835714056480273
Energy: 0.993989544040241
Energy: 0.9979315434075501
Energy: 1.000822343048415
Energy: 0.9963027953869499
Energy: 1.0128671288791622
Energy: 1.0006419404753055
Energy: 0.9963224529299922
Energy: 1.0268684343360823
Energy: 1.0254588679421799
Energy: 1.0029892284490094
Energy: 0.9973015901743515
Energy: 1.0000945298908814
Energy: 1.0005998819588688
Energy: 1.0181016957058573
Energy: 1.0177638821480046
Energy: 1.0353229040318095
Energy: 1.0206333131039482
Energy: 1.0166486329211826
Energy: 1.2017141068296473
Energy: 1.0403265903286947
Energy: 1.0408321694976999
Energy: 0.9828538585786408
Energy: 1.0202128257178764
Energy: 0.9854987716228395
Energy: 1.0801066385014044
Energy: 0.9854689471171779
Energy: 0.9820884209006523
Energy: 0.9822127258514795
Energy: 1.0108052779864611
Energy: 0.9819140432466871
Energy: 0.9990973994250797
Energy: 1.0262178422888417
Energy: 0.9822314265644695
Energy: 1.024406475193663
Energy: 1.0221152361865395
Energy: 1.0028687802770897
Energy: 1.091969640437328
Energy: 0.9927339131173074
Energy: 0.984095168744773
Energy: 1.088122569557132
Energy: 0.9914532049175128
Energy: 1.0220145138288452
Energy: 1.0888740590112096
Energy: 1.0313812874202775
Energy: 1.031825615679892
Energy: 1.0491699793947042
Energy: 1.0100007592181341
Energy: 1.0371189052082048
Energy: 1.0534527493798365
Energy: 1.0577390003654121
Energy: 1.0600413656650989
Energy: 0.9799899637497353
Energy: 1.049454776231525
Energy: 0.9826584900152178
Energy: 1.0637566247052268
Energy: 0.9818424412165642
Energy: 0.980908554388501
Energy: 1.0228216521772284
Energy: 0.9892756088458503
Energy: 0.9806895602981873
Energy: 1.097861161760631
Energy: 0.9846281883254473
Energy: 0.9857229738663611
Energy: 0.9833778924590453
Energy: 0.9840732857957936
Energy: 0.9861387094079597
Energy: 1.1789605585358356
Energy: 0.9844435474551856
Energy: 0.984500302862643
Energy: 0.9872385062322316
Energy: 0.9999989707930752
Energy: 0.9840346242582267
Energy: 1.184109641862183
Energy: 1.017026247065133
Energy: 1.0428898004639453
Energy: 1.019284228505312
Energy: 0.9942294790660879
Energy: 1.0344582105894908
Energy: 1.1830416537249717
Energy: 0.9892979302212557
Energy: 0.9851906950668536
Energy: 1.0628475673077984
Energy: 0.9897099474280528
Energy: 1.0547724835003183
Energy: 1.1179329349605331
Energy: 0.984912692211098
Energy: 0.9846997619652479
Energy: 1.051761990996194
Energy: 1.0234079822187123
Energy: 0.9838501395526726
Energy: 1.3830151451577324
Energy: 1.000749885752701
Energy: 1.0035752892152505
Energy: 1.0399352424132948
Energy: 0.9995294249986969
Energy: 1.002040435891865
Energy: 1.0074286380831357
Energy: 1.0113441721711176
Energy: 1.014176177125279
Energy: 1.0179556209759768
Energy: 1.0091692661274336
Energy: 1.0137408589495172
Energy: 1.0080145396764622
Energy: 1.0061732611733774
Energy: 1.0391544217999178
Energy: 1.0078740733785916
Energy: 1.0146703092869334
Energy: 1.0391578988816295
Energy: 1.0148613099486223
Energy: 1.0326320081987141
Energy: 1.0259631188686922
Energy: 1.0171871402374126
Energy: 1.0201211146473308
Energy: 1.0232966941892323
Energy: 1.0241801846540808
Energy: 0.9844639051569033
Energy: 1.0006615183214398
Energy: 1.0252884074989472
Energy: 0.9841779393960082
Energy: 0.987314920152516
Energy: 0.9863445303528936
Energy: 0.9848403088059989
Energy: 0.9855423514173668
Energy: 0.9939176033449407
Energy: 0.9845732302276695
Energy: 0.9888499750134309
Energy: 0.9827235517990539
Energy: 1.0158440024019004
Energy: 1.0070036935673143
Energy: 1.033439092410084
Energy: 0.9905348474931381
Energy: 1.0463110340327937

minimum gb energy = 0.9782727963556322 eV
minimum distance =  2.31060635306765 Angstroms
sigma value = 81


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

Energy: 1.637611879764078
Energy: 1.0438161576229927
Energy: 0.9820993190437959
Energy: 0.9803089323633235
Energy: 1.0742999578959245
Energy: 1.0446585591700968
Energy: 0.9706331438638186
Energy: 0.9593295654932289
Energy: 0.9583056191656023
Energy: 0.9836377547419932
Energy: 0.9757791312651862
Energy: 0.9583590137089772
Energy: 1.0502247342853166
Energy: 1.012018717175354
Energy: 1.0145647670505324
Energy: 0.9899592173969406
Energy: 1.0083290316557543
Energy: 1.1005739377979338
Energy: 1.037321935401955
Energy: 1.0094576392893158
Energy: 0.9595345897540548
Energy: 0.960622903740375
Energy: 1.0019049768156718
Energy: 0.9600133199337015
Energy: 1.0385127214650864
Energy: 1.0418298788770783
Energy: 1.051222395176768
Energy: 0.9613097085703753
Energy: 1.0376087551808943
Energy: 0.95761293606721
Energy: 1.0391407949306362
Energy: 1.0383168470990376
Energy: 1.0345127849256257
Energy: 1.0534388336834766
Energy: 1.0351289181202288
Energy: 1.0334737690020794
Energy: 1.0349443495568837
Energy: 1.0582144329409844
Energy: 1.0480934665421298
Energy: 1.095079217287669
Energy: 0.9764389038927864
Energy: 1.0383731513578696
Energy: 1.142835676192402
Energy: 1.1404541344995058
Energy: 1.0782900899389765
Energy: 0.9694905442418936
Energy: 1.1337548472738945
Energy: 0.9703559460634507
Energy: 1.0358814107618453
Energy: 1.0939306524390398
Energy: 0.988661462197472
Energy: 1.068706188932676
Energy: 1.072322621740921
Energy: 1.0378031876410936
Energy: 1.0444093158096845
Energy: 0.9358758070715595
Energy: 0.9359568754362841
Energy: 1.0356128724467908
Energy: 0.9354294879263954
Energy: 0.9359578439466474
Energy: 1.0446138250080927
Energy: 0.9349967936257969
Energy: 0.9355105561348647
Energy: 1.0225921182260123
Energy: 0.9668082227160537
Energy: 1.0113166764591865
Energy: 1.0003111768804225
Energy: 1.0965698771491634
Energy: 1.0970317892485413
Energy: 1.0016253267013866
Energy: 1.0922448521710235
Energy: 1.0961384184080771
Energy: 1.000207694024476
Energy: 1.045291010418207
Energy: 1.0737106395856197
Energy: 1.0061714339403727
Energy: 1.0426773602025874
Energy: 1.0133274055980184
Energy: 1.0431683314179536
Energy: 1.0365872692899474
Energy: 1.0376166435807916
Energy: 1.0297200634860286
Energy: 1.0362416624912614
Energy: 1.0387000025350086
Energy: 1.192153588285886
Energy: 1.106527458911798
Energy: 1.1044079897094974
Energy: 1.0378054050964618
Energy: 1.1052654060752134
Energy: 1.0387855007667655
Energy: 1.04250702273567
Energy: 1.029586144414225
Energy: 1.0313662557919765
Energy: 1.0442548134786784
Energy: 1.0372201470186782
Energy: 1.0325800853414693
Energy: 1.1856794435665097
Energy: 0.969762766874394
Energy: 0.9709759460984034
Energy: 1.0817860221766502
Energy: 1.002511600580412
Energy: 1.0153104257370402
Energy: 1.0100880149151523
Energy: 1.0360814749093807
Energy: 1.1001685370835665
Energy: 1.075667930606979
Energy: 1.0621378890344695
Energy: 1.0994786238927123
Energy: 1.0903508530388746
Energy: 1.0286460977046732
Energy: 0.9343290116026163
Energy: 0.9363773003231018
Energy: 1.0280383310538646
Energy: 0.940352383580071
Energy: 1.2079313289151183
Energy: 1.0138112734432387
Energy: 0.9351710375185495
Energy: 0.9361993513449888
Energy: 1.0289575635433028
Energy: 0.935303863838009
Energy: 1.0101503310224584
Energy: 1.0095149100877217
Energy: 1.100030325499106
Energy: 1.0741499067489777
Energy: 1.0227423458809548
Energy: 1.1015367772293645
Energy: 1.041022512388101
Energy: 1.0178496053570198
Energy: 1.0230177448298752
Energy: 1.0413629518970111
Energy: 1.0180963610978977
Energy: 1.019725895228432
Energy: 1.0402194557292566
Energy: 1.0511950750167418
Energy: 1.0466118530652977
Energy: 1.0418483897070843
Energy: 1.0341360888426354
Energy: 1.0387881605868063
Energy: 1.0428256589360716
Energy: 1.035618337915125
Energy: 1.0399108392629959
Energy: 1.0389995724026473
Energy: 1.0343382614825416
Energy: 1.0387492207227875
Energy: 1.044399836647831
Energy: 1.0315160266994545
Energy: 1.0340379696408044
Energy: 1.0307771812369515
Energy: 1.0741626251600518
Energy: 1.0331445553981906
Energy: 1.1414300834769306
Energy: 1.0780081694707995
Energy: 1.0761232726289314
Energy: 0.9692409274208018
Energy: 1.0797706237501665
Energy: 1.0767345875305152
Energy: 1.1417279516067254
Energy: 1.147819678826611
Energy: 1.143906650097854
Energy: 0.9694702701365554
Energy: 1.1463002222420953
Energy: 1.096285578830745
Energy: 1.0446526429392555
Energy: 0.9347519435780138
Energy: 1.101354506027947
Energy: 1.0237643706152926
Energy: 0.9673613758261802
Energy: 1.0116031146251365
Energy: 1.0392584017415865
Energy: 0.9361781637920245
Energy: 0.9361890282825476
Energy: 1.0332465110326958
Energy: 0.9357065021460763
Energy: 0.9364470412274276
Energy: 1.0363490483512998
Energy: 1.0567321341546647
Energy: 1.0866298914181187
Energy: 1.025210007033852
Energy: 1.0796446598320733
Energy: 1.0099070005179533
Energy: 1.0018571603546658
Energy: 1.0880008321161823
Energy: 1.089579958941804
Energy: 1.0105693638896984
Energy: 1.1614182447143084
Energy: 1.0187374920145233
Energy: 1.0370433178970755
Energy: 1.0338989411864794
Energy: 1.034090919622248
Energy: 1.0495830781927697
Energy: 0.9702968168911066
Energy: 1.035237656597068
Energy: 1.1871395592090541
Energy: 1.0362909089062267
Energy: 1.0358953417101817
Energy: 1.0493975184980984
Energy: 1.0320218155679548
Energy: 1.0374803566771513
Energy: 1.1850655504191834
Energy: 1.0220993987456373
Energy: 1.0461709177840834
Energy: 0.9883901170499921
Energy: 1.034117843249666
Energy: 1.0370747967520881
Energy: 1.0389106832609496
Energy: 1.0359033786679335
Energy: 0.9888625895933112
Energy: 0.9619255360250115
Energy: 0.970208651389767
Energy: 0.9889579409083411
Energy: 1.2219167357590612
Energy: 0.9686653638347876
Energy: 0.9689886294295074
Energy: 1.0549780451265005
Energy: 0.9686238178281062
Energy: 1.1580774609708606
Energy: 1.0367471421285097
Energy: 0.959427865401816
Energy: 0.9593408148479713
Energy: 1.0182789888728596
Energy: 0.9751645104488067
Energy: 0.989460861872286
Energy: 1.1231785996416266
Energy: 1.0219378834114932
Energy: 0.981646601167712
Energy: 0.9361975071485361
Energy: 1.013030962375654
Energy: 1.0491747428138916

minimum gb energy = 0.9343290116026163 eV
minimum distance =  2.3143126974166 Angstroms
sigma value = 43


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

Energy: 1.4312051990650532
Energy: 1.086380189425237
Energy: 1.0862973687121562
Energy: 1.0222267526207198
Energy: 1.0530748531224823
Energy: 1.0223247892167326
Energy: 0.9560777837693505
Energy: 0.9733893576456215
Energy: 0.9560803144045723
Energy: 1.0196978910557273
Energy: 0.9601666684178883
Energy: 0.9942443829516017
Energy: 0.9792657531666233
Energy: 0.9587575321417094
Energy: 0.9589183120514916
Energy: 1.011586610952468
Energy: 0.9573247589091581
Energy: 0.9789397008968382
Energy: 0.978911985073403
Energy: 0.9575282018206649
Energy: 0.9790780238241353
Energy: 0.9784671908665926
Energy: 0.9560300051134394
Energy: 0.9787009126065807
Energy: 0.9776263544607489
Energy: 0.9939516607339172
Energy: 0.995947730880486
Energy: 0.9801114759597632
Energy: 0.9999346438299115
Energy: 0.9978081438893383
Energy: 0.9796204198837164
Energy: 0.9961715205595839
Energy: 1.0179857517989759
Energy: 1.013625013790958
Energy: 0.9805158651468423
Energy: 1.00004607440096
Energy: 0.9790060799706994
Energy: 0.9792137880341983
Energy: 0.9807934977624083
Energy: 0.9592134978649852
Energy: 0.9783276384823916
Energy: 0.9819060321089798
Energy: 1.1164113661556208
Energy: 0.9791389843540891
Energy: 0.9791893783913276
Energy: 0.9542040519476287
Energy: 0.978899623778073
Energy: 0.979213407102979
Energy: 0.9706229821131667
Energy: 0.9781149852220553
Energy: 0.9794645772272828
Energy: 0.97107629838682
Energy: 0.9788213430689175
Energy: 0.981082902972495
Energy: 1.1566766065267895
Energy: 0.9750299673013774
Energy: 0.9750359348165067
Energy: 0.9711536238207312
Energy: 0.9746334853664026
Energy: 0.975568327118539
Energy: 0.9570941968396354
Energy: 0.9924061587239643
Energy: 0.9908753946645817
Energy: 0.9727736950611722
Energy: 0.9706093033390482
Energy: 0.9555081642782486
Energy: 0.981620374043458
Energy: 0.9787238489782081
Energy: 0.9787462538726669
Energy: 1.0049762509426698
Energy: 0.9784505216892716
Energy: 0.9800895677965517
Energy: 1.1579116508485343
Energy: 0.979487344600902
Energy: 0.9960583597384565
Energy: 0.9553340899008367
Energy: 0.979612402653857
Energy: 0.9960337347288922
Energy: 0.9564300958661323
Energy: 1.0289174692245353
Energy: 0.9861946658866687
Energy: 0.9721761292196881
Energy: 0.9834499451161169
Energy: 0.956587011281219
Energy: 0.9569450406612818
Energy: 1.0068819367623352
Energy: 0.9625260289133495
Energy: 0.9582189642794519
Energy: 1.0365247716736796
Energy: 0.9618692548900062
Energy: 0.955183522219914
Energy: 1.0125445107305862
Energy: 0.9557425908048516
Energy: 0.9554822966430989
Energy: 0.9803440697714828
Energy: 0.9559914653751388
Energy: 0.9588982550642549
Energy: 0.9582686550996186
Energy: 0.9589954944505595
Energy: 0.9587077600330969
Energy: 0.9520904228801615
Energy: 0.9587375956577332
Energy: 0.958095653714537
Energy: 0.956584003620835
Energy: 0.95756524051448
Energy: 1.0041533686712456
Energy: 0.9548426018130615
Energy: 0.9570554117071529
Energy: 0.9667606748451035
Energy: 0.9566819228799625
Energy: 0.9567333268739707
Energy: 0.9888091152298393
Energy: 0.9574894181038773
Energy: 0.97553012869634
Energy: 1.0738982611852306
Energy: 0.9569439193170373
Energy: 0.9566893862251795
Energy: 0.9756842191282645
Energy: 0.9573394776574284
Energy: 0.9759698118577455
Energy: 0.9571576384298495
Energy: 0.9598078057396945
Energy: 0.9555600387914618
Energy: 1.003143334135406
Energy: 0.9533868657128529
Energy: 0.9561581283186286
Energy: 1.122489709398052
Energy: 0.9962590882791145
Energy: 1.0400479641822724
Energy: 1.0219368098142898
Energy: 0.9529000045007577
Energy: 1.0338727593734538
Energy: 1.0029593729841708
Energy: 0.9572202977672222
Energy: 0.9572071748134736
Energy: 0.9755647589294031
Energy: 0.9778510912626804
Energy: 0.9556431804346199
Energy: 1.0741294449737138
Energy: 0.9587959466649811
Energy: 0.959323130698408
Energy: 0.9521918213289008
Energy: 1.0956707661212313
Energy: 0.9588130074607505
Energy: 1.0023874905959202
Energy: 0.9577118853803847
Energy: 0.958411085123698
Energy: 0.999025625214154
Energy: 0.9572524379714229
Energy: 0.9596769809011391
Energy: 1.0385341052751782
Energy: 0.9570365438962756
Energy: 0.9569933858388082
Energy: 0.9569285659945767
Energy: 0.9562900039201755
Energy: 0.9736075760555447
Energy: 1.0378303671495275
Energy: 0.955754180737984
Energy: 0.9560886620417435
Energy: 0.9590335592412956
Energy: 0.9545956588503318
Energy: 0.955951981087567
Energy: 1.0177192933715788
Energy: 0.9751073396118903
Energy: 0.9868501606303978
Energy: 0.9780607586566691
Energy: 0.9646448151005665
Energy: 0.9805511263820204
Energy: 0.9810245725929898
Energy: 0.97625762476663
Energy: 0.9762345145526912
Energy: 0.9800940829237217
Energy: 0.9513829657017613
Energy: 0.9762016465900618
Energy: 0.978390362418865
Energy: 0.9750139307754614
Energy: 0.9858716089199859
Energy: 1.015666567382199
Energy: 0.9722109308784044
Energy: 0.9883797493833824
Energy: 1.2575269723748645
Energy: 1.0079511122468447
Energy: 1.0146546850384395
Energy: 0.9936310136069477
Energy: 1.0410512363305717
Energy: 0.9554034803863942

minimum gb energy = 0.9513829657017613 eV
minimum distance =  2.31580100341383 Angstroms
sigma value = 57


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

Energy: 1.3436833929578513
Energy: 1.1259718077443681
Energy: 1.020776015705539
Energy: 0.8989781025334234
Energy: 1.103136673980124
Energy: 1.1111357173033782
Energy: 0.962147214901944
Energy: 1.0055783031666397
Energy: 0.9777373700997037
Energy: 0.9541667645216706
Energy: 0.999521229772634
Energy: 0.9498528002507144
Energy: 1.2435533161807693
Energy: 0.9615698549936187
Energy: 0.9609433914490316
Energy: 0.9434682209103452
Energy: 0.9600213851103084
Energy: 0.9610233568806278
Energy: 1.081804202406037
Energy: 0.9593740084837378
Energy: 0.9606518551783703
Energy: 0.9416841474261339
Energy: 0.9596858204635497
Energy: 0.9422448380807529
Energy: 1.0817514971243782
Energy: 0.9787842544247647
Energy: 0.9761978126265727
Energy: 0.9409635528191718
Energy: 1.0735743845388637
Energy: 0.9487704101533613
Energy: 0.959431604096675
Energy: 1.0665606442328797
Energy: 1.0623068484203853
Energy: 1.067258148080861
Energy: 1.064475667723472
Energy: 1.0693144147490476
Energy: 1.094479531150569
Energy: 1.085789678416873
Energy: 1.0930027986759494
Energy: 1.052677062302914
Energy: 1.085781615466203
Energy: 1.0815267510776772
Energy: 1.0184391484114905
Energy: 1.1207564562186485
Energy: 1.1165648024741186
Energy: 1.0162549080493737
Energy: 1.1299854919124972
Energy: 1.1147846870954115
Energy: 1.0969177410110338
Energy: 1.1102281532580995
Energy: 1.094415946276803
Energy: 1.0792084428554047
Energy: 1.118963968396408
Energy: 1.0722785257043328
Energy: 1.0974929654623722
Energy: 1.0277997350004522
Energy: 1.0192214267928514
Energy: 1.0882824812472576
Energy: 1.0251902077881405
Energy: 1.0213681332600328
Energy: 1.032638728943508
Energy: 0.9949960769615508
Energy: 1.0615360602225055
Energy: 1.118438430762483
Energy: 0.9957109131041196
Energy: 1.1194811637547286
Energy: 0.8959010051477959
Energy: 1.0837324487789073
Energy: 1.08499458564572
Energy: 0.8967906452970797
Energy: 1.0979283219186906
Energy: 1.0224249748424923
Energy: 0.8948790486198702
Energy: 1.0835342839799949
Energy: 1.0181898900393307
Energy: 1.016661509908301
Energy: 1.0961758677520999
Energy: 1.0206291925240651
Energy: 1.0314794053706673
Energy: 1.064155472914063
Energy: 1.0623541098172113
Energy: 1.117958108147787
Energy: 1.1317997027689397
Energy: 1.0640695950549972
Energy: 1.093102472728886
Energy: 0.9859886023916838
Energy: 0.9873929035990304
Energy: 1.0950811838564873
Energy: 0.9860230702378932
Energy: 0.9868861611119674
Energy: 1.090183076170972
Energy: 1.0695414610152423
Energy: 1.0734012220065314
Energy: 1.0798715721892311
Energy: 1.0738060632777724
Energy: 1.0702337955449421
Energy: 1.094699841650214
Energy: 1.0645065953245119
Energy: 1.0692556596711629
Energy: 1.073046591112633
Energy: 1.12025132048448
Energy: 1.0667266297918014
Energy: 1.0952658375499769
Energy: 1.0621021740788046
Energy: 1.0613001548369012
Energy: 1.0734431846257924
Energy: 1.0758997817771607
Energy: 1.0826641126069894
Energy: 1.0869273387327205
Energy: 1.087374068250187
Energy: 1.0998669164307735
Energy: 0.9475671946911641
Energy: 1.087507384186847
Energy: 1.1032124078028047
Energy: 1.0869218730945016
Energy: 1.0940071741691968
Energy: 1.1250236983155955
Energy: 0.9523274108051053
Energy: 1.0954914847460437
Energy: 1.0996011207877288
Energy: 1.0874010298087962
Energy: 0.9475295786454621
Energy: 0.9511250511508391
Energy: 0.9508757742427346
Energy: 1.0017629415415281
Energy: 0.9511562670384442
Energy: 1.2201039669552125
Energy: 1.0204346792229637
Energy: 1.022471753735608
Energy: 0.9446614954416639
Energy: 1.0569533966808322
Energy: 1.061545933752613
Energy: 1.082487472325799
Energy: 0.9997766079653039
Energy: 0.9815935427924529
Energy: 0.9490861013048888
Energy: 1.0027079182364553
Energy: 0.9519105572237555
Energy: 0.9589389076232213
Energy: 1.002070377775809
Energy: 1.0181294496439992
Energy: 1.0182883629262938
Energy: 1.0023642365453942
Energy: 1.1091327549207985

minimum gb energy = 0.8948790486198702 eV
minimum distance =  2.28510285823217 Angstroms
sigma value = 17


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

Energy: 1.1598898350808329
Energy: 1.0617341973376846
Energy: 1.0621360781273625
Energy: 1.0552400847865948
Energy: 0.9778120871289274
Energy: 0.8794140995167434
Energy: 0.8822538266959506
Energy: 0.981550214481537
Energy: 0.9264807699605824
Energy: 0.9847400446740527
Energy: 0.9820085570693976
Energy: 0.9254704771330484
Energy: 0.9879741778797508
Energy: 0.8813963017351083
Energy: 0.8819658212360096
Energy: 0.9832467941199512
Energy: 0.8815191476359913
Energy: 0.8818735739477986
Energy: 0.980848998753325
Energy: 0.8823259935029018
Energy: 0.8814962127186712
Energy: 0.9824408017038317
Energy: 0.9182592716858436
Energy: 0.978272536479023
Energy: 0.8690442512278544
Energy: 0.8557885617035909
Energy: 0.8541955577741113
Energy: 0.8698203404503068
Energy: 0.8555276298773765
Energy: 0.8902292800046371
Energy: 0.8847569033513618
Energy: 0.8563847616803134
Energy: 0.9269294026705747
Energy: 0.8221753236979775
Energy: 0.8554920750350181
Energy: 0.8230748220415219
Energy: 0.8550406192671504
Energy: 0.853722833201871
Energy: 0.8929095030013832
Energy: 0.8539020959520716
Energy: 0.8553946418452819
Energy: 0.8942373830589627
Energy: 0.8554347022455072
Energy: 0.9301705324760428
Energy: 0.9506227354083376
Energy: 0.9305723120215589
Energy: 0.9333505796537377
Energy: 0.9498398805508442
Energy: 0.856903086005799
Energy: 0.9265112713884271
Energy: 0.8937207838550209
Energy: 0.8587205354016083
Energy: 0.8631276965481081
Energy: 0.8940851549568212
Energy: 0.8540288731302283
Energy: 0.8547293989657201
Energy: 0.8918696948413273
Energy: 0.8546266254496139
Energy: 0.867743342136153
Energy: 0.8911200577224035
Energy: 0.855274424605997
Energy: 0.8909941257277221
Energy: 0.8907272034032994
Energy: 0.8550543286084862
Energy: 0.9584450438766704
Energy: 0.8906413072465553
Energy: 0.8639820145385356
Energy: 0.9784247914863962
Energy: 0.97858257809071
Energy: 0.851756796413738
Energy: 0.9803451280467247
Energy: 0.9960862887437298
Energy: 0.9745019939311611
Energy: 0.9843132191169103
Energy: 0.9848274913881914
Energy: 0.9220333909098963
Energy: 0.983552243218764
Energy: 0.9866104096155355
Energy: 0.9934553514869626
Energy: 0.9838276571746064
Energy: 0.9241404393569002
Energy: 0.9937597081579784
Energy: 0.9838979658617659
Energy: 0.924428504113704
Energy: 0.9883026313194014
Energy: 0.9729389038631913
Energy: 0.9769535531660049
Energy: 0.9836211099341439
Energy: 0.9713512556858663
Energy: 0.9701291804031881
Energy: 1.0325765270068719
Energy: 1.0271517106981858
Energy: 0.9503106278064607
Energy: 1.0677099766319054
Energy: 0.9932141723162171
Energy: 0.9811427170803808
Energy: 0.962074628352399
Energy: 0.9813124175838472
Energy: 1.070156364634768
Energy: 0.8818627364431648
Energy: 0.9851132527256269
Energy: 1.0701334336515327

minimum gb energy = 0.8221753236979775 eV
minimum distance =  2.32185694745942 Angstroms
sigma value = 17


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

Energy: 1.5633692952917102
Energy: 1.093030870404346
Energy: 0.9167266615891957
Energy: 0.8869797696185961
Energy: 1.339829850086773
Energy: 0.8831275933725452
Energy: 0.8835054257077976
Energy: 0.9536432769770514
Energy: 0.918392849760089
Energy: 0.9725511999972668
Energy: 0.9759392649938494
Energy: 0.9158791971023599
Energy: 1.1481706312047744
Energy: 0.7896424044089513
Energy: 0.8840475866496936
Energy: 0.9729939548703426
Energy: 0.7980292740302445
Energy: 0.8839244785799957
Energy: 0.9771020322450535
Energy: 0.8833051221362519
Energy: 0.8834453885620366
Energy: 0.9785323716352347
Energy: 0.7895654289459999
Energy: 0.8833932894317392
Energy: 0.8514312657820142
Energy: 0.8402528440730124
Energy: 0.8405338607300682
Energy: 0.8521425762563318
Energy: 0.8397754119036709
Energy: 0.8685573504152714
Energy: 0.9303196485114748
Energy: 0.8380551164850126
Energy: 0.7930256708474855
Energy: 0.7994691764560826
Energy: 0.8376136021105578
Energy: 0.7936491048638518
Energy: 0.7765580686844258
Energy: 0.8388833322004304
Energy: 0.8524409313727057
Energy: 0.8104530514901701
Energy: 0.8414940458543166
Energy: 0.8521517065113228
Energy: 0.7779031123795351
Energy: 0.7663926695088222
Energy: 0.7770198358126066
Energy: 0.7785727747468052
Energy: 0.863762648485446
Energy: 0.7764293746645985
Energy: 0.7778621593485576
Energy: 0.8336684541248252
Energy: 0.7766267774478067
Energy: 0.7794031700767676
Energy: 0.8288366215649153
Energy: 0.7774893774707472
Energy: 0.7765807141075672
Energy: 0.8679492358868547
Energy: 0.866478120836263
Energy: 0.7764203933244576
Energy: 0.8368815906289644
Energy: 0.8637350059630655
Energy: 0.7772115679290373
Energy: 0.7782506077031986
Energy: 0.8712661870253141
Energy: 0.834815179508108
Energy: 0.7772095915605349
Energy: 0.860572449100403
Energy: 0.7808192752954508
Energy: 0.7778558214456223
Energy: 0.7776802402255609
Energy: 0.7940938750772571
Energy: 0.7822303354718624
Energy: 0.777725306351618
Energy: 0.8390515966779344
Energy: 0.7788254568639882
Energy: 0.7763358973197615
Energy: 0.8581512829249595
Energy: 0.7783771802128152
Energy: 0.7774611986328543
Energy: 0.8404918616785498
Energy: 0.8408471620054456
Energy: 0.8420071215722555
Energy: 0.8417422733370178
Energy: 0.8082002217114138
Energy: 0.8378728126990803
Energy: 0.8382940995906564
Energy: 0.7789108277559917
Energy: 0.8359757767725117
Energy: 0.8378602347966356
Energy: 0.7777290744604564
Energy: 0.890852905494619
Energy: 0.8397996819664167
Energy: 0.8380633344300185
Energy: 0.8683561096508042
Energy: 0.8387057535444415
Energy: 0.8529586417623887
Energy: 0.8682165461877733
Energy: 0.7768976401471356
Energy: 0.9741716794441259
Energy: 0.9741389421808551
Energy: 0.8483315287484559
Energy: 0.9738096493335207
Energy: 0.8372369632853072
Energy: 0.8533005493513244
Energy: 0.9749071557184606
Energy: 0.97519582375048
Energy: 0.8855293372515795
Energy: 0.9749109704840856
Energy: 0.8372489062494207
Energy: 0.8380933313199612
Energy: 0.9748970996203876
Energy: 0.9184892314646808
Energy: 0.8539345579594716
Energy: 0.8851760489243718
Energy: 0.8696959502521961
Energy: 0.980697350556188
Energy: 0.8411517066546774
Energy: 0.8371076890608941
Energy: 0.9758188730704974
Energy: 0.8417946778914711
Energy: 0.9704490002413644
Energy: 1.0592723084707134
Energy: 0.9507381560570035
Energy: 0.9173668342540466
Energy: 0.9747607575067336
Energy: 0.9771887757880884
Energy: 0.9179228476876118
Energy: 0.7899595889513883
Energy: 0.9810840465303478
Energy: 1.0591711853734544
Energy: 0.8824272777182386
Energy: 0.9782048716487024
Energy: 0.8829184656919329
Energy: 0.794492147167662
Energy: 0.9744883608174045
Energy: 0.9739120184860117
Energy: 0.7970047882804047
Energy: 0.9801120566488927
Energy: 0.9269304444846501
Energy: 1.1379461983961054
Energy: 0.9033424999639981
Energy: 0.920898709325749
Energy: 0.9757036322484274
Energy: 0.7900162398851687
Energy: 0.973077769572733
Energy: 0.9714655040750624
Energy: 0.794202238297868
Energy: 0.8836636339861716
Energy: 0.9716524024968344
Energy: 0.794657822892404
Energy: 0.8844795516516971
Energy: 0.853638519990992
Energy: 0.8411052355505166
Energy: 0.8406434679329399
Energy: 0.8542456442862921
Energy: 0.8408636301808612
Energy: 0.8698070986912574
Energy: 0.9335549041314987
Energy: 0.8396513129375802
Energy: 0.8403633134735204
Energy: 0.7953813284323819
Energy: 0.8425767828941698
Energy: 0.7963336963429198
Energy: 0.7617226589849972
Energy: 0.8389960083763478
Energy: 0.8387910627379513
Energy: 0.8379159227717993
Energy: 0.840062492159504
Energy: 0.8384872291699843
Energy: 0.7786993811808557
Energy: 0.8158324308838929
Energy: 0.8633725001756096
Energy: 0.7856746705733383
Energy: 0.8533664693416999
Energy: 0.8648963620619586
Energy: 0.7767847380502648
Energy: 0.8621296093462856
Energy: 0.8586239378875716
Energy: 0.7767660485267226
Energy: 0.8638292336477702
Energy: 0.7796475916764929
Energy: 0.7829978208627488
Energy: 0.8605557634162133
Energy: 0.8610043344768062
Energy: 0.7844422145545037
Energy: 0.8649126642568359
Energy: 0.8228209711693023
Energy: 0.7768998857791398
Energy: 0.8620272799594346
Energy: 0.8716481594512758
Energy: 0.8304790183498821
Energy: 0.8670886242236463
Energy: 0.8691345167988815
Energy: 0.7908192240532139
Energy: 0.777803994255024
Energy: 0.7780035249613703
Energy: 0.7920798697956202
Energy: 0.7780448622168246
Energy: 0.777727985178057
Energy: 0.8938203232672642
Energy: 0.8772213302469493
Energy: 0.8623344319092848
Energy: 0.8714915344334213
Energy: 0.7779444012859769
Energy: 0.8624098631357272
Energy: 0.846618945313398
Energy: 0.8321451086440256
Energy: 0.8336652778090545
Energy: 0.8399268844200504
Energy: 0.8334979811171825
Energy: 0.8692479158463474
Energy: 0.839628731312268
Energy: 0.7754756031112319
Energy: 0.867824445205936
Energy: 0.8397192207045951
Energy: 0.7764925221270125
Energy: 0.8387723246298308
Energy: 1.0734030410367013
Energy: 0.867431186583341
Energy: 0.8675058705875699
Energy: 0.8446108417002594
Energy: 0.8477724559625016
Energy: 0.867852403523637
Energy: 0.7755805986459884
Energy: 0.9729599297985524
Energy: 0.8410700424819916
Energy: 0.8618592032106553
Energy: 0.9757755909024989
Energy: 0.9191228823349187
Energy: 0.8610199446918879
Energy: 0.9721451131878357
Energy: 0.839182121388117
Energy: 0.8382863882621541
Energy: 0.9702381991322747
Energy: 0.8391770308994442
Energy: 0.839091292881987
Energy: 0.9531029465057556
Energy: 0.9519571513569937
Energy: 0.8526749377070872
Energy: 0.977762809438053
Energy: 0.915272885027324
Energy: 1.081174327067273
Energy: 0.838242104249269
Energy: 0.9676167048080899
Energy: 0.9813384873454122
Energy: 0.8369859392441685
Energy: 0.9698880310851136
Energy: 1.1376532837965478
Energy: 0.9150710844281891
Energy: 0.9200281797829792
Energy: 0.9799740128618034
Energy: 0.8530850882272877
Energy: 0.9497016995518555
Energy: 0.7954552747341918
Energy: 0.9758343052979612
Energy: 0.9742224636615846
Energy: 0.7889866150185004
Energy: 0.9810921365697091
Energy: 1.0043706367433027

minimum gb energy = 0.7617226589849972 eV
minimum distance =  2.28158560418328 Angstroms
sigma value = 57


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

Energy: 0.9036030104327988
Energy: 1.014840649416155
Energy: 0.9294370747263527
Energy: 0.8083050534547024
Energy: 1.251528866579375
Energy: 0.9298859044264214
Energy: 0.8690765352611085
Energy: 0.8301200514952276
Energy: 0.8278120175947206
Energy: 0.9276660187214654
Energy: 0.8317835679518361
Energy: 0.9123359010869133
Energy: 1.0943449911985994
Energy: 0.8210989117163203
Energy: 0.7782443453312566
Energy: 0.9565118565040405
Energy: 0.8211717886984818
Energy: 0.8702664711691502
Energy: 0.9360580153415601
Energy: 0.7977942348152743
Energy: 0.869963731453955
Energy: 0.8282667298632459
Energy: 0.7815239112684629
Energy: 0.8693980307414881
Energy: 0.8137361114014685
Energy: 0.8311572178668223
Energy: 0.8268343942955686
Energy: 0.8126597095044414
Energy: 0.8259877584511287
Energy: 0.84576180045582
Energy: 0.8193239141522336
Energy: 0.8242731801593581
Energy: 0.7879772619600596
Energy: 0.7316019412603982
Energy: 0.8240015639540774
Energy: 0.8037928499063982
Energy: 0.7510060109142929
Energy: 0.8308746753059962
Energy: 0.8286406837203475
Energy: 0.8082454366717624
Energy: 0.8311524407103084
Energy: 0.8439908774407446
Energy: 0.7557557396263321
Energy: 0.8140310191985881
Energy: 0.830987090971719
Energy: 0.7588912517659064
Energy: 0.8167081536394651
Energy: 0.7778478856259758
Energy: 0.7558115837291064
Energy: 0.752634121466447
Energy: 0.7521620946678397
Energy: 0.7578801610874065
Energy: 0.8177280274282758
Energy: 0.75234258520908
Energy: 0.7521762313160033
Energy: 0.8072647848007498
Energy: 0.809833512875509
Energy: 0.7520365316453199
Energy: 0.7251689888749271
Energy: 0.811970584519921
Energy: 0.7297725770507553
Energy: 0.7189504175755576
Energy: 0.8142292770092314
Energy: 0.8074211305795769
Energy: 0.7193166307933313
Energy: 0.8187986943685733
Energy: 0.7573760415860175
Energy: 0.7292511404250559
Energy: 0.7189956761308613
Energy: 0.8069345390270803
Energy: 0.7242528626095932
Energy: 0.7726510726410365
Energy: 0.7195636949043354
Energy: 0.8102067240391375
Energy: 0.8083230396930536
Energy: 0.8078317277618328
Energy: 0.7862693056569502
Energy: 0.8082447422156639
Energy: 0.719831948101211
Energy: 0.8083422453342889
Energy: 0.7193082747283038
Energy: 0.7219910531756186
Energy: 0.7791917917405397
Energy: 0.7192112509493971
Energy: 0.7190604589259835
Energy: 0.7723230746189135
Energy: 0.8167428310666108
Energy: 0.7183934501716779
Energy: 0.8286599515690979
Energy: 0.8448231471063244
Energy: 0.7702111938527394
Energy: 0.756280181484272
Energy: 0.8238611291591725
Energy: 0.7217283122287889
Energy: 0.7651352289169718
Energy: 0.8105991929137802
Energy: 0.7862058604489148
Energy: 0.752784088560186
Energy: 0.7519347683395547
Energy: 0.8102586505476663
Energy: 0.7608323052234053
Energy: 0.7538620988160772
Energy: 0.7236398828385234
Energy: 0.758497788226859
Energy: 0.8053809041182072
Energy: 0.7676324656583259
Energy: 0.7591759794740177
Energy: 0.8183914863717422
Energy: 0.824037854645552
Energy: 0.8112754284544369
Energy: 0.8052136103271372
Energy: 0.8258597357007299
Energy: 0.7778502579968539
Energy: 0.8240555926883719
Energy: 0.8228745427230976
Energy: 0.7553934708848612
Energy: 0.7555185830504654
Energy: 0.846510442740753
Energy: 0.7536867986767458
Energy: 0.8256540979520796
Energy: 0.936246760789353
Energy: 0.8253237074530336
Energy: 0.8607289183457824
Energy: 0.8258174805559431
Energy: 0.8671960927153437
Energy: 0.8736960439813247
Energy: 0.7199406874237311
Energy: 0.9485120863153407
Energy: 0.8239215308429476
Energy: 0.7555888983467567
Energy: 0.9486075281216502
Energy: 0.8233159138464973
Energy: 0.7582938282507632
Energy: 0.9568352315976001
Energy: 0.9474895749738325
Energy: 0.7594975075693355
Energy: 0.9545312103662205
Energy: 0.9477982629620364
Energy: 1.018319762007527
Energy: 0.8250008058706915
Energy: 0.9000021079503501
Energy: 0.8289937533418233
Energy: 0.8818012121024115
Energy: 0.8252077820477947
Energy: 1.0972892646670744
Energy: 0.8269580785765202
Energy: 0.8295475943550883
Energy: 0.9522686539384779
Energy: 0.823631064748029
Energy: 0.9398399328738191
Energy: 1.0968711350548568
Energy: 0.9298030780145539
Energy: 0.9225355800354166
Energy: 0.9233191444907564
Energy: 0.924604503305154
Energy: 0.896416205357543
Energy: 0.7263974136522194
Energy: 0.9486463257772231
Energy: 0.8701369684070623
Energy: 0.7753918693608302
Energy: 0.9561690252895528
Energy: 0.8700914867728042

minimum gb energy = 0.7183934501716779 eV
minimum distance =  2.28758091091471 Angstroms
sigma value = 43


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

Energy: 0.8034501114516253
Energy: 0.8752829153107315
Energy: 0.8456799986535521
Energy: 0.7237399949521096
Energy: 0.8761777703659692
Energy: 0.7843190474303215
Energy: 0.9201260580840922
Energy: 0.7566562898771726
Energy: 0.7807581757773028
Energy: 0.8328127352612515
Energy: 0.7565310360155719
Energy: 0.7786197751510533
Energy: 0.9578837992411702
Energy: 0.7238640094583801
Energy: 0.7375992616884354
Energy: 0.8408299099432187
Energy: 0.7236407842978264
Energy: 0.7139480313524184
Energy: 0.8402245590158122
Energy: 0.7368411375047847
Energy: 0.7141537503360286
Energy: 0.7555295608952464
Energy: 0.6767549462891493
Energy: 0.7899060327699658
Energy: 0.664421056050593
Energy: 0.7530703877772714
Energy: 0.7612190848220568
Energy: 0.6734661343740885
Energy: 0.7569077335805242
Energy: 0.77281098787404
Energy: 0.6157160904298128
Energy: 0.7532669135729626
Energy: 0.7238691513487977
Energy: 0.699373842143464
Energy: 0.7528040074996928
Energy: 0.6968902165024725
Energy: 0.8749184746411577
Energy: 0.7528860663228855
Energy: 0.753822598429391
Energy: 0.7021148528838632
Energy: 0.7530773118229185
Energy: 0.7183959588393278
Energy: 0.8706177860874261
Energy: 0.6995644046310735
Energy: 0.7112291238689191
Energy: 0.6896243780990894
Energy: 0.6981900074015754
Energy: 0.7116876639525836
Energy: 0.6920300923090329
Energy: 0.6643366222687881
Energy: 0.689445006146483
Energy: 0.6940422278839418
Energy: 0.6335304721541878
Energy: 0.6894889044394079
Energy: 0.6659932954287204
Energy: 0.6825808012218388
Energy: 0.6997171874995677
Energy: 0.6743185819446182
Energy: 0.6829576530959796
Energy: 0.7011714521619421
Energy: 0.6106115182411885
Energy: 0.6486262082680475
Energy: 0.6492711540613972
Energy: 0.688681061418419
Energy: 0.6485981756962962
Energy: 0.6997935718335081
Energy: 0.6903936428203113
Energy: 0.6489129159920777
Energy: 0.649298208136905
Energy: 0.6968835247282239
Energy: 0.6493241402242098
Energy: 0.6987493980795663
Energy: 0.6282363152706233
Energy: 0.6885364714327843
Energy: 0.6956665585040117
Energy: 0.6969170726452008
Energy: 0.68875541175709
Energy: 0.6966879287763548
Energy: 0.6252630405781648
Energy: 0.6260972388700473
Energy: 0.6249474799462991
Energy: 0.6268156805461662
Energy: 0.6136379819868294
Energy: 0.6247917982584187
Energy: 0.6249683207857032
Energy: 0.6865825388093556
Energy: 0.6805855366856848
Energy: 0.6250698901439957
Energy: 0.6674471667248904
Energy: 0.6838020211523833
Energy: 0.615357162863766
Energy: 0.6134005136036276
Energy: 0.6143569623523273
Energy: 0.6870581909774083
Energy: 0.613541037033869
Energy: 0.6868048442840012
Energy: 0.6293276283141607
Energy: 0.6135504673840183
Energy: 0.6232821882526731
Energy: 0.6847312398722268
Energy: 0.6139489653799581
Energy: 0.6843599610076653
Energy: 0.6141894834796604
Energy: 0.6831169859235328
Energy: 0.6843299584079222
Energy: 0.6134249388211807
Energy: 0.6798038522213253
Energy: 0.6868290141331559
Energy: 0.6141073716461732
Energy: 0.6142616762395889
Energy: 0.61347404904405
Energy: 0.615783899035455
Energy: 0.6804440840348543
Energy: 0.6141610154030623
Energy: 0.6136941389002275
Energy: 0.6867995835466819
Energy: 0.6876467251183394
Energy: 0.6139165334200525
Energy: 0.6874553484440941
Energy: 0.6901849502654717
Energy: 0.6529395647455295
Energy: 0.6250774118803003
Energy: 0.6258687998964522
Energy: 0.6882231076411748
Energy: 0.6251847247001141
Energy: 0.688742968665072
Energy: 0.6155592640016099
Energy: 0.6247225371986658
Energy: 0.6251913696820772
Energy: 0.692614256222327
Energy: 0.6248294094502449
Energy: 0.6953543643711455
Energy: 0.6502447337051293
Energy: 0.6759702601804896
Energy: 0.6904155640979982
Energy: 0.6498554406637398
Energy: 0.6352685692616304
Energy: 0.6865072035105112
Energy: 0.6488952846898401
Energy: 0.6504355609179496
Energy: 0.6490050599890423
Energy: 0.6510447743347372
Energy: 0.6357120685111007
Energy: 0.6489317641973149
Energy: 0.8445955932877774
Energy: 0.6945034190656039
Energy: 0.7018501324965322
Energy: 0.6827657728442641
Energy: 0.6947281587662502
Energy: 0.7027200188272783
Energy: 0.788389244132427
Energy: 0.6897705759622657
Energy: 0.6986441633594588
Energy: 0.6966529011614802
Energy: 0.6900544948746198
Energy: 0.7095198006366106
Energy: 0.6136754507398635
Energy: 0.6894060561682838
Energy: 0.6995398632024927
Energy: 0.6947835450048466
Energy: 0.689582783544803
Energy: 0.7101818481274229
Energy: 0.6878874900551228
Energy: 0.6906842088160653
Energy: 0.7157668048426906
Energy: 0.6497948703005427
Energy: 0.691177185974634
Energy: 0.7291797176692043
Energy: 0.7558711559557133
Energy: 0.6893200829467687
Energy: 0.7531467455123255
Energy: 0.757841812919036
Energy: 0.6482703319258104
Energy: 0.7536727664460723
Energy: 0.9062185831160675
Energy: 0.7116124068924078
Energy: 0.7376690456533688
Energy: 0.7541536142626245
Energy: 0.7107630584216321
Energy: 0.7195227627663044
Energy: 0.9034689957138139
Energy: 0.7558174344179015
Energy: 0.7690677976736149
Energy: 0.7539150868165568
Energy: 0.7559624253785436
Energy: 0.761745499866654
Energy: 0.6251813218941136
Energy: 0.8333388303983134
Energy: 0.7522841376625681
Energy: 0.696552898240718
Energy: 0.8499624615212202
Energy: 0.7079828985464721
Energy: 0.6897455319525098
Energy: 0.8246836469808636
Energy: 0.8101326617316382
Energy: 0.7003736446625899
Energy: 0.8321823067553409
Energy: 0.7687981158623648
Energy: 0.9050890724938958
Energy: 0.7527841828460109
Energy: 0.7521855643217373
Energy: 0.7559052513936377
Energy: 0.6914740965449432
Energy: 0.8386206264486362
Energy: 0.9592688702200021
Energy: 0.7100309614437316
Energy: 0.7760802754855392
Energy: 0.8505511156691258
Energy: 0.7247242473256881
Energy: 0.7531732117559934
Energy: 0.9201260711679218
Energy: 0.825107087092337
Energy: 0.8106422775792551
Energy: 0.8294984150637209
Energy: 0.8320821279120915
Energy: 0.7738419049985253

minimum gb energy = 0.6106115182411885 eV
minimum distance =  2.32196257926033 Angstroms
sigma value = 81


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

Energy: 0.06931958887294022
Energy: 0.12130073624318241
Energy: 0.0701397060695759
Energy: 0.07298654878569508
Energy: 0.11505091681018129
Energy: 0.07002408759417829
Energy: 0.12217031070900203
Energy: 0.07221640235373684
Energy: 0.07124676226266453
Energy: 0.07047626791500741
Energy: 0.07209712019403797
Energy: 13.477804378019844
Energy: 0.1664675958089525
Energy: 0.07006774651499686
Energy: 0.07019714374483083
Energy: 0.12194042783465392
Energy: 0.06991038096990579
Energy: 0.12270433475110509
Energy: 0.07489025469688335
Energy: 0.07006897823601795
Energy: 0.0714301703824873
Energy: 0.12156833358163517
Energy: 0.0699137781898552
Energy: 0.12168364207222891
Energy: 0.12181795243076314
Energy: 0.12177051930061308
Energy: 0.12154835856551165
Energy: 0.12260462159216381
Energy: 0.07049451523607872
Energy: 0.1209168258115498
Energy: 0.07071404027738631
Energy: 0.12312045712317439
Energy: 0.07022601588217256
Energy: 0.07244936891672164
Energy: 0.12336224463728206
Energy: 0.07005894520362545
Energy: 0.07064588836419447
Energy: 0.12152428617663108
Energy: 0.07075364903007463
Energy: 0.07077090383192301
Energy: 0.12162718015732878
Energy: 0.07028846145231958
Energy: 0.12101513365721597
Energy: 0.06983500985584694
Energy: 0.06989276355406507
Energy: 0.12269431595520575
Energy: 0.06969258871372301
Energy: 0.12226351173632104
Energy: 0.07220419442133055
Energy: 0.06967658903006828
Energy: 0.12222091679927043
Energy: 0.12258190029156611
Energy: 0.07001288475306348
Energy: 0.12355874842883512
Energy: 0.07250873603203899
Energy: 0.07089791368494819
Energy: 0.1218187234225085
Energy: 0.06972042289624707
Energy: 0.07109909724855885
Energy: 0.12223263183306045

minimum gb energy = 0.06931958887294022 eV
minimum distance =  2.46634266558993 Angstroms
sigma value = 3


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

Energy: 0.778826246343754
Energy: 0.832213394715416
Energy: 0.8111018406603462
Energy: 0.6426145079261731
Energy: 0.7879639946820424
Energy: 0.7022775792475477
Energy: 0.7634209894030926
Energy: 0.7976554514629172
Energy: 0.7223756165237553
Energy: 0.7844056212985218
Energy: 0.8013499058180491
Energy: 0.7238659643529313
Energy: 0.7943951231817921
Energy: 0.6635676095818762
Energy: 0.7340797122750423
Energy: 0.7876044165702474
Energy: 0.7429047371272314
Energy: 0.7882338576988911
Energy: 0.7410763497990548
Energy: 0.7656126374185277
Energy: 0.7658549358086898
Energy: 0.7404769833492959
Energy: 0.6602964645458641
Energy: 0.7981919769122654
Energy: 0.6692416213762838
Energy: 0.7236444141544461
Energy: 0.7225954291340868
Energy: 0.6691048181192122
Energy: 0.8013890744750446
Energy: 0.7224022314549018
Energy: 0.6174557059706673
Energy: 0.7241607289001272
Energy: 0.7246074416403322
Energy: 0.620880842900253
Energy: 0.7247547120774058
Energy: 0.662041830873742
Energy: 0.7395749899414901
Energy: 0.6828506721302964
Energy: 0.6828085061138104
Energy: 0.7538731661901867
Energy: 0.6810232451733966
Energy: 0.7532721834350797
Energy: 0.7404143900462279
Energy: 0.6237869830354672
Energy: 0.626309873735894
Energy: 0.7406108391025917
Energy: 0.589351927621321
Energy: 0.6727388020196167
Energy: 0.6301951980348615
Energy: 0.7025996836899617
Energy: 0.7838605666515356
Energy: 0.6346232865362272
Energy: 0.6234515937323857
Energy: 0.752426583945576
Energy: 0.6304671483028826
Energy: 0.6801679486867656
Energy: 0.6825436949295232
Energy: 0.6303021446679268
Energy: 0.6854376512289746
Energy: 0.682204300076438
Energy: 0.5933626961456161
Energy: 0.6855634218864866
Energy: 0.6832024196773064
Energy: 0.5971777280951616
Energy: 0.6016966180414949
Energy: 0.6261948278624377
Energy: 0.629429423135198
Energy: 0.6809089526952564
Energy: 0.7675751582319644
Energy: 0.629409596828869
Energy: 0.710608108867369
Energy: 0.6306622244958706
Energy: 0.6323025485441864
Energy: 0.5774728493409851
Energy: 0.5986894493808488
Energy: 0.6325817973574014
Energy: 0.5819163313836899
Energy: 0.6322836669485221
Energy: 0.5815394703784637
Energy: 0.5976733474873629
Energy: 0.6328322637369422
Energy: 0.6355232706345988
Energy: 0.5972788328045298
Energy: 0.6300897948407521
Energy: 0.5810893181490315
Energy: 0.5972579790407969
Energy: 0.5970201169806554
Energy: 0.5810537192173587
Energy: 0.602462232282855
Energy: 0.5995163370582313
Energy: 0.5845869360635594
Energy: 0.5993471739133505
Energy: 0.5988305466733458
Energy: 0.5856337653595896
Energy: 0.7485900162746894
Energy: 0.6293455414864298
Energy: 0.5810361273752295
Energy: 0.5992123983004667
Energy: 0.5816189501990295
Energy: 0.5811080036958693
Energy: 0.5978364546166974
Energy: 0.5810065054907951
Energy: 0.581743363818464
Energy: 0.5819228795422616
Energy: 0.7148097050674308
Energy: 0.5819438694165848
Energy: 0.5810283735893733
Energy: 0.582154045949842
Energy: 0.7457893563531927
Energy: 0.5814286822412408
Energy: 0.5815745659512933
Energy: 0.5815919361143849
Energy: 0.5816333508049497
Energy: 0.6643135179473281
Energy: 0.7395148517410693
Energy: 0.5809719117017257
Energy: 0.580510709127284
Energy: 0.5813614184818097
Energy: 0.581435230065361
Energy: 0.5819318080900863
Energy: 0.7372478356398492
Energy: 0.5804962120426472
Energy: 0.6280169820919528
Energy: 0.5978745809573147
Energy: 0.6290746446964541
Energy: 0.5987530519099404
Energy: 0.6004930181553274
Energy: 0.5810252202647751
Energy: 0.5997030064181735
Energy: 0.5988430850352916
Energy: 0.5805059694661763
Energy: 0.597709454120418
Energy: 0.5972946141669178
Energy: 0.6324009900558739
Energy: 0.7286762494271126
Energy: 0.5972725614101252
Energy: 0.6322562370362014
Energy: 0.6340015458202414
Energy: 0.5832859818502294
Energy: 0.6332091008148472
Energy: 0.6324219388483552
Energy: 0.583870221949135
Energy: 0.6321851107932319
Energy: 0.6085115738065742
Energy: 0.5978361662172764
Energy: 0.6295790850270317
Energy: 0.6295805117116411
Energy: 0.59967284915688
Energy: 0.6301386710856783
Energy: 0.6325260226948756
Energy: 0.599133178696681
Energy: 0.6063608608317517
Energy: 0.6088288043791544
Energy: 0.602901365638508
Energy: 0.5788610514098351
Energy: 0.6829976351301051
Energy: 0.6842785704667507
Energy: 0.6661829482891245
Energy: 0.6509041405170639
Energy: 0.6841029651290357
Energy: 0.6085298594604525
Energy: 0.6834223539038793
Energy: 0.6466334427613908
Energy: 0.6799049816010727
Energy: 0.7611649507441188
Energy: 0.6468997858794733
Energy: 0.6796308881141399
Energy: 0.7606845227140164
Energy: 0.60080643387281
Energy: 0.7419118249536156
Energy: 0.705731323882976
Energy: 0.6041359137093231
Energy: 0.7392293366138252
Energy: 0.6418502283192958
Energy: 0.679622736848162
Energy: 0.7549995185305586
Energy: 0.7566997960668798
Energy: 0.6796498387174031
Energy: 0.7666833165385802
Energy: 0.7549462492838782
Energy: 0.7245717842046442
Energy: 0.6397909303114827
Energy: 0.6422638826284965
Energy: 0.7224556575497055
Energy: 0.5991049866928919
Energy: 0.6942368536082223
Energy: 0.7945417753322069
Energy: 0.7564427715077104
Energy: 0.7912139832264568
Energy: 0.7996404910467216
Energy: 0.6397556950546001
Energy: 0.72529633461708
Energy: 0.6903977418530449
Energy: 0.7424354288640937
Energy: 0.7561447423444507
Energy: 0.690489429763425
Energy: 0.7454354071252653
Energy: 0.7463862101056176

minimum gb energy = 0.5774728493409851 eV
minimum distance =  2.27506715775043 Angstroms
sigma value = 67


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

Energy: 0.8505284157059592
Energy: 0.9578687851890952
Energy: 0.9552432409966404
Energy: 0.7403059717801002
Energy: 1.0452263392071006
Energy: 0.948345197497361
Energy: 0.8779395295734284
Energy: 0.9427929885750569
Energy: 0.9318313807641594
Energy: 0.923780621931623
Energy: 0.9263855257867624
Energy: 0.9318030716112725
Energy: 0.929688573722513
Energy: 0.766778828173261
Energy: 0.8969507768313152
Energy: 0.9237652647501764
Energy: 0.7647643605312981
Energy: 0.9236545431099572
Energy: 0.8458812694036236
Energy: 0.8968680907687153
Energy: 0.927442391099781
Energy: 0.8469175601534611
Energy: 0.8433783794038725
Energy: 0.9294696980696536
Energy: 0.8431788912249097
Energy: 0.9454075511579414
Energy: 0.9301197610959662
Energy: 0.8433304142807178
Energy: 0.9239828386761988
Energy: 0.9292108098247562
Energy: 0.7199104158311495
Energy: 0.9225430861831238
Energy: 0.8369845592365811
Energy: 0.7694223588943138
Energy: 0.9219008186916858
Energy: 0.7692365078241677
Energy: 0.8432804922367576
Energy: 0.856895363312759
Energy: 0.8310776520018888
Energy: 0.8461465400114393
Energy: 0.7755472299503431
Energy: 0.8562773165807247
Energy: 0.8529396451659305
Energy: 0.7299077565744101
Energy: 0.7215687915743936
Energy: 0.852295131518735
Energy: 0.7254628321372386
Energy: 0.8490095419633544
Energy: 0.8940379239584518
Energy: 0.7759858410136378
Energy: 0.8565637175790646
Energy: 0.8602045519104011
Energy: 0.7687192288032241
Energy: 0.8560849023405568
Energy: 0.7259115780446133
Energy: 0.7738863818411345
Energy: 0.7696432426968776
Energy: 0.8115523081554012
Energy: 0.7723057219244203
Energy: 0.7691499915596565
Energy: 0.7254970568669716
Energy: 0.7703901741509334
Energy: 0.7681873094722491
Energy: 0.728848852881796
Energy: 0.8380558245184967
Energy: 0.7245549006374796
Energy: 0.7336649008948256
Energy: 0.7774330606316932
Energy: 0.726694468617616
Energy: 0.7281715659371609
Energy: 0.7732948145881418
Energy: 0.7260098232354798
Energy: 0.7267541666558933
Energy: 0.7239106329713395
Energy: 0.7391588921940584
Energy: 0.7266646578508164
Energy: 0.7306476159264096
Energy: 0.7256741168480002
Energy: 0.8092901580168489
Energy: 0.7497601671007691
Energy: 0.7658291441241305
Energy: 0.7290377773082654
Energy: 0.7261947239716521
Energy: 0.7267196254448587
Energy: 0.812384050088753
Energy: 0.7311345017242703
Energy: 0.7292212449050467
Energy: 0.8860394542260168
Energy: 0.7288668966055796
Energy: 0.7273200267653838
Energy: 0.8792292136679207
Energy: 0.7281091543848824
Energy: 0.7268873672294521
Energy: 0.7713661515734288
Energy: 0.7249222655517144
Energy: 0.7684083628629463
Energy: 0.7745138627532965
Energy: 0.7210466478078655
Energy: 0.7128140200202415
Energy: 0.7753216095684653
Energy: 0.7163381140463498
Energy: 0.7685047350259676
Energy: 0.7718663695703422
Energy: 0.8568437269086158
Energy: 0.9052613870562446
Energy: 0.7720081596174136
Energy: 0.8579475692672781
Energy: 0.768899124042165
Energy: 0.7113728651843367
Energy: 0.7279131185318027
Energy: 0.79831503220211
Energy: 0.7395987623234548
Energy: 0.8919821615904777
Energy: 0.7972960982615834
Energy: 0.7683961665782031
Energy: 0.869259507484189
Energy: 0.854947157648577
Energy: 0.7694834357504637
Energy: 0.8481631267928778
Energy: 0.8553509047095837
Energy: 0.860522841106814
Energy: 0.7973975649577507
Energy: 0.879846531138229
Energy: 0.8610527242260743
Energy: 0.8139856112277211
Energy: 0.9043952265097192
Energy: 0.9291149677708342
Energy: 0.7400073480601033
Energy: 0.7952141504610418
Energy: 0.921762295183876
Energy: 0.7364843743546313
Energy: 0.8277986946251507
Energy: 0.8779830075825246
Energy: 0.867466741676575
Energy: 0.8539920354974528
Energy: 0.8799874522200752
Energy: 0.8535458416971613
Energy: 0.9290378803950434

minimum gb energy = 0.7113728651843367 eV
minimum distance =  2.29244119651502 Angstroms
sigma value = 33


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

Energy: 0.9976200822354114
Energy: 1.0959770708703176
Energy: 1.0839760671771128
Energy: 0.8568240145913539
Energy: 1.0368905878561576
Energy: 0.9785857698865282
Energy: 0.9596940245932192
Energy: 1.014103758869348
Energy: 1.0110216635652622
Energy: 1.0053813620264678
Energy: 1.0043980570527198
Energy: 0.9843221335475387
Energy: 1.0384134886463052
Energy: 0.8318208447120733
Energy: 0.8343346698949744
Energy: 1.0101835184715653
Energy: 0.9021286882352084
Energy: 0.9251379557089358
Energy: 1.0047566604116247
Energy: 0.8318852240829275
Energy: 0.8340835089111059
Energy: 1.0052828905733755
Energy: 0.9639670365470282
Energy: 0.9725044348648634
Energy: 0.9117770641812708
Energy: 1.014472316360742
Energy: 0.932920020159606
Energy: 0.9120121553899304
Energy: 1.0094102734744839
Energy: 0.9834657818655507
Energy: 0.8262737237705335
Energy: 0.9491467235471247
Energy: 0.9431950970880616
Energy: 0.8327257731745092
Energy: 0.9228917338727722
Energy: 0.8417578957315639
Energy: 0.9129383606897696
Energy: 0.9264423866354956
Energy: 0.8390275349594426
Energy: 0.9111880650244535
Energy: 0.9232636790744693
Energy: 0.9209340619937424
Energy: 0.9147950803295632
Energy: 0.8322724245614508
Energy: 0.8333012693719277
Energy: 0.9145397471093288
Energy: 0.8378549243212715
Energy: 0.8392382289497453
Energy: 0.972385265861747
Energy: 0.9165383933985322
Energy: 0.8632887779645162
Energy: 0.921542752532286
Energy: 0.8325262438086425
Energy: 0.8394754528588326
Energy: 0.8994729882285729
Energy: 0.8350298622440586
Energy: 0.8343308690467311
Energy: 0.8389811478537332
Energy: 0.833214199240519
Energy: 0.8473781538280594
Energy: 0.9005812954657694
Energy: 0.8392250941817688
Energy: 0.8369268669726398
Energy: 0.8354537103280618
Energy: 0.8906243892384257
Energy: 0.8384363729441892
Energy: 0.8337299285460049
Energy: 0.8321110180681773
Energy: 0.836924267087725
Energy: 0.8335997345541829
Energy: 0.8469209105280215
Energy: 0.832970570874996
Energy: 0.8321982917969186
Energy: 0.839394108108132
Energy: 0.8341238707506388
Energy: 0.8320360307540086
Energy: 0.9185904718268103
Energy: 0.8323300570203666
Energy: 0.809765183628172
Energy: 0.8406332608388067
Energy: 0.8393067534457842
Energy: 0.8122490304065683
Energy: 0.8448828654227127
Energy: 0.8100085511797016
Energy: 0.8070544618784534
Energy: 0.9263492559717199
Energy: 0.8392384873540566
Energy: 0.8326504071798987
Energy: 0.9138387269502224
Energy: 0.8349396266422843
Energy: 1.0089677474086691
Energy: 0.8515243585057855
Energy: 0.8502380457531933
Energy: 1.0117192830042911
Energy: 0.8482123466560604
Energy: 0.931608543242448
Energy: 1.0412883556081383
Energy: 0.8498484110822732
Energy: 0.8487939443075954
Energy: 1.0023467485786777
Energy: 0.8543298066680483
Energy: 0.8098427541920071
Energy: 1.0365861718696432
Energy: 0.9280298189179048
Energy: 0.9927125411084772
Energy: 1.0108628402075972
Energy: 0.9166935038245362
Energy: 0.931083592782934
Energy: 0.8428761919646555
Energy: 1.0104865062613326
Energy: 1.0230286781299645
Energy: 0.8434747839282433
Energy: 1.008391983393711
Energy: 0.8565096993096345
Energy: 0.9591839146249027
Energy: 1.013862175760846
Energy: 0.9316588107335314
Energy: 0.9701124615699138
Energy: 1.0043112707237754
Energy: 0.9840217067490015
Energy: 1.0375841541965292
Energy: 0.9651845034812252
Energy: 0.9640189477050132
Energy: 1.0111444445394289
Energy: 0.9281599826205332
Energy: 0.9738678320881098
Energy: 1.0004392515548388
Energy: 0.8314562161551787
Energy: 0.8838071998685504
Energy: 1.000650703032205
Energy: 0.9013396338139293
Energy: 0.9798313068114007
Energy: 0.9122905879719161
Energy: 1.0150161991816102
Energy: 0.9326114412837874
Energy: 0.9115706256030711
Energy: 1.0102073374475236
Energy: 0.9756855575694994
Energy: 0.8246397007815468
Energy: 0.9229387053150854
Energy: 0.9441386830972176
Energy: 0.8271037027775143
Energy: 1.0491200685848405
Energy: 0.8385578063604735
Energy: 0.9130132760664496
Energy: 0.9210357450925509
Energy: 0.9067395594636595
Energy: 0.9119181017100381
Energy: 1.0061836059681524
Energy: 0.9219161269343853
Energy: 0.9142053924889183
Energy: 0.8325731144367742
Energy: 0.8328524635201628
Energy: 0.9146548958181803
Energy: 0.8371525351101823
Energy: 0.8384488287701947
Energy: 0.9738786415799833
Energy: 0.8328755850196801
Energy: 0.8336976661001634
Energy: 0.8442101502278944
Energy: 0.8539066720767724
Energy: 0.8400930199042795
Energy: 0.977879184065651
Energy: 0.8342972674404123
Energy: 0.8343029822522973
Energy: 0.8463191895067615
Energy: 0.8337357716806189
Energy: 0.8336755361510622
Energy: 0.9023053435905557
Energy: 0.8358573493942905
Energy: 0.840180833016035
Energy: 0.8368999461360557
Energy: 0.8329773569693915
Energy: 0.8622876075089827
Energy: 0.8337422303442644
Energy: 0.8325535994831598
Energy: 0.840068644018441
Energy: 0.8335365021756445
Energy: 0.8498613906339862
Energy: 0.8328859599145013
Energy: 0.8352767402074068
Energy: 0.8396547086176823
Energy: 0.8333790869877222
Energy: 0.832087480582392
Energy: 0.920822440846413
Energy: 0.8323132657507843
Energy: 0.8090638705961894
Energy: 0.8438326099815439
Energy: 0.8398746128715865
Energy: 0.8117349004561312
Energy: 0.8392763957196518
Energy: 0.8101469243196255
Energy: 0.8089679210200574
Energy: 0.9274248701084621
Energy: 0.8396500123214246
Energy: 0.8102409459689655
Energy: 0.9142993372480628
Energy: 0.8337918547159903
Energy: 0.9159484129910481
Energy: 0.8509608871480088
Energy: 0.8459817260515659
Energy: 0.9184378858944885
Energy: 0.8473121436532813
Energy: 0.9238299099707119
Energy: 1.088805523573336
Energy: 0.849927346121032
Energy: 0.8490363356858757
Energy: 1.0027578603268776
Energy: 0.8107255906681494
Energy: 0.8110041218069876
Energy: 1.0365988541885627
Energy: 0.925454749546745
Energy: 0.991909109711163
Energy: 1.0068104104585893
Energy: 0.9111682288105166
Energy: 0.9908974277215342
Energy: 0.841639892678038
Energy: 1.0127911553331388
Energy: 0.9441795433466799
Energy: 0.8496366004864676
Energy: 1.0140099390482475
Energy: 0.8432509879250418

minimum gb energy = 0.8070544618784534 eV
minimum distance =  2.27879532029453 Angstroms
sigma value = 41


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

Energy: 1.2981545647671255
Energy: 1.2010196277992915
Energy: 0.9740131321692618
Energy: 0.9718199095619889
Energy: 1.1028441388852632
Energy: 0.9690592857290911
Energy: 1.0389736253115835
Energy: 1.0648300638847459
Energy: 0.9970578991517358
Energy: 1.022669351034865
Energy: 1.0880672436617356
Energy: 0.9791098875060753
Energy: 1.1535863179139758
Energy: 0.9720829330293943
Energy: 0.9681558546335677
Energy: 1.0004252527174682
Energy: 0.9751378052585005
Energy: 0.9680116132931321
Energy: 1.0979869861301965
Energy: 0.9717246715314125
Energy: 0.968234219020721
Energy: 1.002093548310165
Energy: 0.9746103234611626
Energy: 0.9762345465417728
Energy: 0.9999237377112202
Energy: 0.9800505553026404
Energy: 0.9781643835627686
Energy: 1.0245274430773255
Energy: 1.0968263920896562
Energy: 0.9773158843347676
Energy: 1.031290300195207
Energy: 0.9804279026399298
Energy: 0.9775857492496121
Energy: 0.974319699361154
Energy: 1.0238803007115167
Energy: 0.9770093757620533
Energy: 0.9991150995043876
Energy: 0.9985818290710355
Energy: 0.9812005772233338
Energy: 0.9996339711859934
Energy: 1.0952623137563258
Energy: 0.9808781835672491
Energy: 1.0032092041713068
Energy: 0.9799330598623568
Energy: 0.9760502333713867
Energy: 1.0052816055230183
Energy: 0.9832248375582341
Energy: 0.9793227589452971
Energy: 1.0796406772675011
Energy: 0.9777678849300179
Energy: 0.975614109052633
Energy: 0.9517597776648574
Energy: 0.9985913848914055
Energy: 0.9757472026493526
Energy: 1.0396890403106325
Energy: 0.9854386320029617
Energy: 0.9797652046506545
Energy: 0.9833560845459797
Energy: 1.0003784325006988
Energy: 0.9762952177127241
Energy: 1.099159976833699
Energy: 0.9982614503921962
Energy: 0.995827265915647
Energy: 1.0844608262016835
Energy: 0.9518818136628735
Energy: 1.0606901071107353
Energy: 1.1251046814541703
Energy: 0.9505324106601034
Energy: 0.9505069791765971
Energy: 1.181424428972497
Energy: 0.9502406265813932
Energy: 0.9531694570729624
Energy: 1.164386323774147
Energy: 0.9969010842159668
Energy: 0.9963656929158377
Energy: 1.021000512284452
Energy: 1.0814165654287122
Energy: 1.0606242728736475
Energy: 0.9455184095246217
Energy: 1.0027437237721537
Energy: 0.9521096431336838
Energy: 0.9518206633761526
Energy: 1.0026978193232825
Energy: 0.9513822401056847

minimum gb energy = 0.9455184095246217 eV
minimum distance =  2.2941832310168 Angstroms
sigma value = 11


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

Energy: 1.6348076472922228
Energy: 1.242384596513068
Energy: 1.189107122285183
Energy: 1.191248686008314
Energy: 1.2082082387663668
Energy: 1.172037164552686
Energy: 1.2535790534027969
Energy: 1.1366058818704705
Energy: 1.131400134710141
Energy: 1.1586004712038604
Energy: 1.127130927408693
Energy: 1.131718867058262
Energy: 1.3071871659600942
Energy: 1.1293100773260374
Energy: 1.1192339781502108
Energy: 1.1273463901037788
Energy: 1.122670511910048
Energy: 1.1232535546098146
Energy: 1.1541479027598402
Energy: 1.122727052919896
Energy: 1.1241556275656843
Energy: 1.1302107312804035
Energy: 1.1240272725177018
Energy: 1.1230875867763945
Energy: 1.1596615562468038
Energy: 1.1384843995554785
Energy: 1.1327492353958204
Energy: 1.1411214128958183
Energy: 1.1271365196810474
Energy: 1.1320537902421446
Energy: 1.1511623323465014
Energy: 1.14096098546837
Energy: 1.141554869415415
Energy: 1.1364487693578778
Energy: 1.145114763120223
Energy: 1.139919025605694
Energy: 1.1439513794956224
Energy: 1.1404009397027377
Energy: 1.1389446698502972
Energy: 1.1439509994024584
Energy: 1.1284313546265092
Energy: 1.1452277350229105
Energy: 1.1426137822500346
Energy: 1.1332213214378484
Energy: 1.1336726586991586
Energy: 1.1266838858022858
Energy: 1.1592843316611343
Energy: 1.1335697705520085
Energy: 1.1158639974022646
Energy: 1.128757522406828
Energy: 1.1228937790472597
Energy: 1.1179475168323743
Energy: 1.1296281911673944
Energy: 1.1295974083012683
Energy: 1.115578378824585
Energy: 1.1286830820603186
Energy: 1.1227552775217409
Energy: 1.1180386245468434
Energy: 1.1277143875508195
Energy: 1.1293010176309086
Energy: 1.14350017567131
Energy: 1.1357029629546591
Energy: 1.132887471801631
Energy: 1.12679805526139
Energy: 1.152212143729172
Energy: 1.1325899025707107
Energy: 1.1268745876844062
Energy: 1.1216317627832286
Energy: 1.1324703405982461
Energy: 1.1274423206431492
Energy: 1.1179762684704984
Energy: 1.1249888067843443
Energy: 1.1262537789483391
Energy: 1.1236766595667387
Energy: 1.1228563805785643
Energy: 1.1296755330206123
Energy: 1.123337010009711
Energy: 1.1224508944802127
Energy: 1.134454634263859
Energy: 1.1274903760984514
Energy: 1.1268583069881821
Energy: 1.1257380568615727
Energy: 1.1269920402989497
Energy: 1.1273586340283257
Energy: 1.1268969732106286
Energy: 1.1236570279205202
Energy: 1.121889515041696
Energy: 1.1397345769105103
Energy: 1.1273666942679306
Energy: 1.1222897005639763
Energy: 1.118424258151494
Energy: 1.1244066830707933
Energy: 1.122411264515861
Energy: 1.1199208443997164
Energy: 1.1286469723951464
Energy: 1.1241707481854595
Energy: 1.1179762809014684
Energy: 1.12406256730161
Energy: 1.1229816704362021
Energy: 1.1238100243525566
Energy: 1.1259080664865484
Energy: 1.1234443704208095
Energy: 1.3177099909206866
Energy: 1.1743036211636129
Energy: 1.1744156279486009
Energy: 1.1455621774715685
Energy: 1.1820197604584177
Energy: 1.140339253963741
Energy: 1.1314785249622454
Energy: 1.1257970197999592
Energy: 1.1232399566528497
Energy: 1.1367150021347388
Energy: 1.1242545999379328
Energy: 1.1238108971834146
Energy: 1.1476247565629245
Energy: 1.1178898382685725
Energy: 1.126265401113281
Energy: 1.1282509772466374
Energy: 1.117218509083791
Energy: 1.112900866030352
Energy: 1.2132651504845886
Energy: 1.1288150461478283
Energy: 1.1141796125479104
Energy: 1.1256469941599594
Energy: 1.1307123849910408
Energy: 1.122794556279649
Energy: 1.1715489619897828
Energy: 1.1287784896255022
Energy: 1.122947827537624
Energy: 1.1524714009851167
Energy: 1.1261627486256094
Energy: 1.1223000259412348
Energy: 1.1420173377371543
Energy: 1.1307985400768175
Energy: 1.1198085376752456
Energy: 1.1202214161609958
Energy: 1.1287457366714382
Energy: 1.1205545946628668
Energy: 1.207494310431089
Energy: 1.1278835785402725
Energy: 1.1242439339753996
Energy: 1.1242509348642171
Energy: 1.1370955603355946
Energy: 1.1230390030387445
Energy: 1.2098762791319495
Energy: 1.1400381300146374
Energy: 1.125271798544934
Energy: 1.2114366820660316
Energy: 1.1279104028725295
Energy: 1.126726886401569
Energy: 1.2007905215692627
Energy: 1.1515346515630078
Energy: 1.123900703493048
Energy: 1.1432253760527238
Energy: 1.1430988917245266
Energy: 1.1230680851749417
Energy: 1.2001043115255994
Energy: 1.1186168552899376
Energy: 1.125732225725116
Energy: 1.1302947225216122
Energy: 1.1203625964182038
Energy: 1.1219692563402643
Energy: 1.1863377640405568
Energy: 1.1262767389608694
Energy: 1.1235467224432385
Energy: 1.1302264070884962
Energy: 1.1388671918443334
Energy: 1.122170475351428
Energy: 1.2147242835704468
Energy: 1.1131898106908813
Energy: 1.1142836584468245
Energy: 1.1287358815057438
Energy: 1.1262495113863529
Energy: 1.1151941492269009
Energy: 1.3081512104818547
Energy: 1.1343851707512291
Energy: 1.1230617523478852
Energy: 1.1305181524597552
Energy: 1.1341690312957513
Energy: 1.1228138871633648
Energy: 1.1678427296842262
Energy: 1.1322445522726183
Energy: 1.1106972189520106
Energy: 1.1148812653465197
Energy: 1.1287085942308699
Energy: 1.125790999249813

minimum gb energy = 1.1106972189520106 eV
minimum distance =  2.2959094438746 Angstroms
sigma value = 57


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

Energy: 1.479418464252703
Energy: 1.1387702971579823
Energy: 1.1383447067860444
Energy: 1.138246830453956
Energy: 1.6093394884535173
Energy: 1.1385494984108733
Energy: 1.1240202541024498
Energy: 1.1519194447488563
Energy: 1.1453205250201715
Energy: 1.1512703236589772
Energy: 1.145494582535891
Energy: 1.145900072532891
Energy: 1.2216927991559554
Energy: 1.134176884244186
Energy: 1.1342386802649886
Energy: 1.141633005377117
Energy: 1.1408117180327233
Energy: 1.1482130079618411
Energy: 1.1395678174517114
Energy: 1.1473875960062783
Energy: 1.1445911630365875
Energy: 1.143882846193167
Energy: 1.1383804465859986
Energy: 1.1444246351579848
Energy: 1.138275806517342
Energy: 1.1453598816508037
Energy: 1.1461547907153513
Energy: 1.1464989058730035
Energy: 1.1441163820427747
Energy: 1.144580944451662
Energy: 1.1438527993589995
Energy: 1.1751037662517532
Energy: 1.1454142398810145
Energy: 1.1476472189620321
Energy: 1.162115281581909
Energy: 1.1464694526774502
Energy: 1.2040542527150386
Energy: 1.1408916751251448
Energy: 1.1432668640272277
Energy: 1.2042587168518766
Energy: 1.1348562888494251
Energy: 1.1713824016225542
Energy: 1.2429742616650648
Energy: 1.148479233541385
Energy: 1.146609606087346
Energy: 1.146074050141549
Energy: 1.1483094913014642
Energy: 1.145494898877518
Energy: 1.1817026375503745
Energy: 1.1475894538339433
Energy: 1.1346124358896237
Energy: 1.1325788875191083
Energy: 1.1434793701823835
Energy: 1.1339573111151275
Energy: 1.1858617560430498
Energy: 1.1507954217394123
Energy: 1.134413912037585
Energy: 1.1320065882560177
Energy: 1.1451276574276115
Energy: 1.133755146250651
Energy: 1.2400205473245063
Energy: 1.1487003033539802
Energy: 1.1490750564595802
Energy: 1.1462471664599365
Energy: 1.148532998977778
Energy: 1.14684226941731
Energy: 1.1400818158802606
Energy: 1.1482927915111676
Energy: 1.1488227135193214
Energy: 1.142250838276818
Energy: 1.1463256428870732
Energy: 1.1456913219139457
Energy: 1.1388323506204094
Energy: 1.1452791879480138
Energy: 1.1451108881415362
Energy: 1.1456703803873325
Energy: 1.1451993294594107
Energy: 1.1444836786070256
Energy: 1.142104676204033
Energy: 1.1421596068425452
Energy: 1.1464623239505933
Energy: 1.1477913523409096
Energy: 1.2167848169777522
Energy: 1.1454877864273014
Energy: 1.1377085598537426
Energy: 1.1364221558371042
Energy: 1.1453359677932828
Energy: 1.146543075006928
Energy: 1.138739624225661
Energy: 1.1449078639004688
Energy: 1.2233274148437006
Energy: 1.1363807243021007
Energy: 1.1334953469131586
Energy: 1.1409913933234253
Energy: 1.1390075908780162
Energy: 1.14483760247078
Energy: 1.1241331322108183
Energy: 1.1456890212817263
Energy: 1.1452948264181748
Energy: 1.1486366657558045
Energy: 1.1451703861862794
Energy: 1.1450921100145648

minimum gb energy = 1.1240202541024498 eV
minimum distance =  2.31260910480858 Angstroms
sigma value = 9


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

Energy: 1.8187669675211655
Energy: 1.3701768345019938
Energy: 1.2033328373654415
Energy: 1.2063186389224496
Energy: 1.2916824745985933
Energy: 1.2043414804625854
Energy: 1.2698210680066067
Energy: 1.208129000440263
Energy: 1.2075931895812826
Energy: 1.216003310644698
Energy: 1.205583354310782
Energy: 1.2072145665496579
Energy: 1.2387425097547677
Energy: 1.206257326337169
Energy: 1.2061743400680147
Energy: 1.1930510485404864
Energy: 1.2130627508246183
Energy: 1.2063526267014348
Energy: 1.2104008157884483
Energy: 1.2097422235776414
Energy: 1.207063965982437
Energy: 1.2121696709066692
Energy: 1.209833841253087
Energy: 1.2062255863945897
Energy: 1.2173333136749422
Energy: 1.199554025243195
Energy: 1.2001389953538015
Energy: 1.1925345807629661
Energy: 1.1993022783631857
Energy: 1.199368928426075
Energy: 1.1993079769954316
Energy: 1.1989995793050328
Energy: 1.19679678574889
Energy: 1.2042108456608527
Energy: 1.2034102134751925
Energy: 1.1965449938901724
Energy: 1.206571906111558
Energy: 1.1892968393950838
Energy: 1.1902695480510348
Energy: 1.1864541882036905
Energy: 1.1918684850692378
Energy: 1.1903898775140749
Energy: 1.25846479491062
Energy: 1.2072105335122771
Energy: 1.1979744740610407
Energy: 1.193446963783604
Energy: 1.2082826935404536
Energy: 1.1964117436868649
Energy: 1.2718461994400565
Energy: 1.1928111554320189
Energy: 1.1926962415200957
Energy: 1.2083870532265921
Energy: 1.1945250847557745
Energy: 1.213499340263065
Energy: 1.2730089751751348
Energy: 1.1927735136112159
Energy: 1.193081902826204
Energy: 1.2088301403690185
Energy: 1.1930516275067635
Energy: 1.1940124207908056
Energy: 1.259661988673412
Energy: 1.19702579328823
Energy: 1.1951441221092238
Energy: 1.1924478656851565
Energy: 1.2018171764983916
Energy: 1.193648775251934
Energy: 1.2642724635241485
Energy: 1.2118489298164314
Energy: 1.2090160815048077
Energy: 1.2025385295719488
Energy: 1.2156603735055793
Energy: 1.207603938946487
Energy: 1.3826969707498047
Energy: 1.2070461006687008
Energy: 1.2062620863449967
Energy: 1.201247024953222
Energy: 1.2115811050819087
Energy: 1.194461545726986
Energy: 1.2817910330290354
Energy: 1.208268814073514
Energy: 1.2061627038371643
Energy: 1.2079109884092896
Energy: 1.2120685445369745
Energy: 1.206120000442997
Energy: 1.2675466210941428
Energy: 1.1949566443908044
Energy: 1.193171453964704
Energy: 1.1935557910976236
Energy: 1.1993096343551062
Energy: 1.208432771988049
Energy: 1.255709064328269
Energy: 1.204723833448513
Energy: 1.190957923282674
Energy: 1.1952361728997185
Energy: 1.2054845351683046
Energy: 1.1886969451921499
Energy: 1.2531643175465716
Energy: 1.2101857809586496
Energy: 1.2072166134181388
Energy: 1.2139487249998415
Energy: 1.2147018917544765
Energy: 1.2062761916089437
Energy: 1.309868480396807
Energy: 1.200381639095722
Energy: 1.2110367991048612
Energy: 1.2178392079767983
Energy: 1.2022653022954597
Energy: 1.1926300521998412
Energy: 1.2387059861369307
Energy: 1.2110126580639924
Energy: 1.2074026953902552
Energy: 1.212269446103947
Energy: 1.2065614439978911
Energy: 1.2058971353065508
Energy: 1.240430050589826
Energy: 1.2104589176557263
Energy: 1.2066792533105035
Energy: 1.2097994049231722
Energy: 1.2119559472011785
Energy: 1.205019025074712
Energy: 1.2632100299466467
Energy: 1.1994181473680274
Energy: 1.2069241093677
Energy: 1.2095751723024084
Energy: 1.194673618576517
Energy: 1.2077683904362309

minimum gb energy = 1.1864541882036905 eV
minimum distance =  2.25285819751031 Angstroms
sigma value = 27


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

Energy: 1.2298710923707954
Energy: 1.1830931349664597
Energy: 1.1280166318859133
Energy: 1.1079558557465712
Energy: 1.6268837991415819
Energy: 1.1773920848650352
Energy: 1.2152123817429992
Energy: 1.1791566916317695
Energy: 1.1781296023230385
Energy: 1.1851805823544654
Energy: 1.1846405599067826
Energy: 1.1730442920893265
Energy: 1.2980567862160979
Energy: 1.1722980205296183
Energy: 1.1741820977352997
Energy: 1.1777620556781225
Energy: 1.1521384681038678
Energy: 1.1828771324184815
Energy: 1.3105863708069558
Energy: 1.1664948777752773
Energy: 1.2077857250016841
Energy: 1.2084760271573196
Energy: 1.1685573076029876
Energy: 1.169932904378766
Energy: 1.174423430093837
Energy: 1.1797381634001538
Energy: 1.1764444074536766
Energy: 1.176163470349632
Energy: 1.1835744963183488
Energy: 1.1751982981230369
Energy: 1.2791474696877114
Energy: 1.1721872937212614
Energy: 1.2226838480003617
Energy: 1.1993165743303558
Energy: 1.1746305523648681
Energy: 1.1885896210941045
Energy: 1.3040814712493776
Energy: 1.1194757503927861
Energy: 1.1207824952091847
Energy: 1.1779513429576356
Energy: 1.112754636168751
Energy: 1.125221851330492
Energy: 1.2956115824951375
Energy: 1.1375162886215242
Energy: 1.188149705946034
Energy: 1.1740210436389897
Energy: 1.1410448858551747
Energy: 1.237734150047889
Energy: 1.3044028937020782
Energy: 1.2062350250774068
Energy: 1.2088825912064176
Energy: 1.1992623727155425
Energy: 1.2075901775460964
Energy: 1.20711974479802
Energy: 1.308053177174315
Energy: 1.220486813197429
Energy: 1.2189683251910644
Energy: 1.2008981800313414
Energy: 1.2224794660942975
Energy: 1.2067908734271138
Energy: 1.297736142509294
Energy: 1.2241215637312979
Energy: 1.2260072193939682
Energy: 1.2302661508393988
Energy: 1.1745377629610794
Energy: 1.2301818140676994
Energy: 1.2918666636619787
Energy: 1.2155988783564957
Energy: 1.214193975402005
Energy: 1.2140010831041077
Energy: 1.2064565379238736
Energy: 1.2159854324811579
Energy: 1.1162641345979651
Energy: 1.2203477253371988
Energy: 1.1261476287420444
Energy: 1.1185357632705222
Energy: 1.211569074422605
Energy: 1.1236781589785836
Energy: 1.1071476370080302
Energy: 1.21297511607534
Energy: 1.2102718125540308
Energy: 1.1214481469138762
Energy: 1.210936671815625
Energy: 1.1306039914355954
Energy: 1.2972838368891038
Energy: 1.2106154934847744
Energy: 1.2123104980054176
Energy: 1.2125038408417295
Energy: 1.20802865097945
Energy: 1.216292345793254
Energy: 1.2805695347779122
Energy: 1.2101181819045561
Energy: 1.212128024561444
Energy: 1.2275964534275832
Energy: 1.2059751580262275
Energy: 1.2166537443480767
Energy: 1.1474429979439327
Energy: 1.2295244376963115
Energy: 1.2294769790006335
Energy: 1.1733748676519742
Energy: 1.2298155343516073
Energy: 1.2113418554585698
Energy: 1.27913247056944
Energy: 1.2144101156240252
Energy: 1.2097026321614908
Energy: 1.2003307388292175
Energy: 1.2206695494857993
Energy: 1.2044201770101362
Energy: 1.2907870429317345
Energy: 1.1299558496064612
Energy: 1.1267399318614055
Energy: 1.2022569620516077
Energy: 1.1211920570845404
Energy: 1.1267084086232024
Energy: 1.3295085946641705
Energy: 1.1303433565790937
Energy: 1.1270156411304995
Energy: 1.1799064300176267
Energy: 1.1211287311089382
Energy: 1.1269814652457784
Energy: 1.3288016102828704
Energy: 1.2093867249500303
Energy: 1.2124709161973384
Energy: 1.2066157971917197
Energy: 1.20499046843351
Energy: 1.2083090141177972
Energy: 1.1508210406635837
Energy: 1.186591738124324
Energy: 1.1838887606493966
Energy: 1.162086714082865
Energy: 1.1701917149758159
Energy: 1.1820617196929
Energy: 1.3281269947942629
Energy: 1.1737286477693165
Energy: 1.1833172800684941
Energy: 1.1858375061954383
Energy: 1.174513543815263
Energy: 1.1731905923372672
Energy: 1.3274257101710016
Energy: 1.164110063225929
Energy: 1.1632957736836498
Energy: 1.1678778245569255
Energy: 1.160699103207956
Energy: 1.1679600036087312
Energy: 1.2278787576285928
Energy: 1.1808776806677799
Energy: 1.1777496466377169
Energy: 1.1218120090225332
Energy: 1.1792071706956726
Energy: 1.1704054324795945

minimum gb energy = 1.1071476370080302 eV
minimum distance =  2.24966257311974 Angstroms
sigma value = 19


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

Energy: 1.2155390622783608
Energy: 1.1895571522485142
Energy: 1.1904980203803095
Energy: 1.1520357543409134
Energy: 1.1586940311488214
Energy: 1.1894366687184406
Energy: 1.3091803892128826
Energy: 1.1645957944703043
Energy: 1.1575127470221758
Energy: 1.1449765176309432
Energy: 1.142272996316221
Energy: 1.154299179268851
Energy: 1.2180970573709875
Energy: 1.1457086760049222
Energy: 1.1494559713659414
Energy: 1.1531437158123463
Energy: 1.142097147716736
Energy: 1.1528943803207194
Energy: 1.2104826815905536
Energy: 1.1548228273174523
Energy: 1.1608455746423731
Energy: 1.160162679098558
Energy: 1.152041006684818
Energy: 1.1607335023569476
Energy: 1.1509939966831142
Energy: 1.1480828374823755
Energy: 1.1467391664940592
Energy: 1.156115940579302
Energy: 1.1520943881435812
Energy: 1.1514193196394111
Energy: 1.1475286626900256
Energy: 1.1531667484461865
Energy: 1.1588590499559286
Energy: 1.1488911239674309
Energy: 1.1514852061027558
Energy: 1.159282993728426
Energy: 1.1800455209983718
Energy: 1.1363217374594472
Energy: 1.1377747293274534
Energy: 1.173583968589259
Energy: 1.135289987355047
Energy: 1.142223005038491
Energy: 1.1481207721203577
Energy: 1.1406683688184915
Energy: 1.1514739199319954
Energy: 1.1437725876455804
Energy: 1.1406535007299679
Energy: 1.1458823241052527
Energy: 1.132961289366125
Energy: 1.1484176281708065
Energy: 1.1528438123047018
Energy: 1.14366715273533
Energy: 1.1624731709867433
Energy: 1.1505859442908803
Energy: 1.133400551452182
Energy: 1.1504534164716522
Energy: 1.1474162335638523
Energy: 1.1431104864023829
Energy: 1.1454103105919522
Energy: 1.1467887089136597
Energy: 1.2131048869832173
Energy: 1.1271892501581087
Energy: 1.131516748118469
Energy: 1.1507422882475937
Energy: 1.121079572181795
Energy: 1.1250076275230936
Energy: 1.2173421642371602
Energy: 1.1281606573004912
Energy: 1.1249040516039184
Energy: 1.1188863762274088
Energy: 1.1272315446403296
Energy: 1.1464638925229111
Energy: 1.183856957609929
Energy: 1.1435748532057692
Energy: 1.144140015863424
Energy: 1.1329419836168488
Energy: 1.135380583032331
Energy: 1.1248929387779987
Energy: 1.2202597629574647
Energy: 1.1291588491378293
Energy: 1.1508944849453575
Energy: 1.12072957602528
Energy: 1.1259257372655962
Energy: 1.1477867930089884
Energy: 1.2157020047312788
Energy: 1.1279326973851318
Energy: 1.1321475072369318
Energy: 1.1451762103472414
Energy: 1.1223913225506412
Energy: 1.1381032705257996
Energy: 1.2236735298667276
Energy: 1.1254734992736746
Energy: 1.126875148873158
Energy: 1.1301006660019428
Energy: 1.1193446339526518
Energy: 1.1301630273466605
Energy: 1.1523337919198402
Energy: 1.1830387258607078
Energy: 1.1648541522963733
Energy: 1.1111513562206408
Energy: 1.1533899622875605
Energy: 1.16056703218236
Energy: 1.1867542477698936
Energy: 1.1247734689664624
Energy: 1.1322035477004746
Energy: 1.1114028331850747
Energy: 1.1252190968666533
Energy: 1.1286833325668126
Energy: 1.2084389234299227
Energy: 1.125513244186489
Energy: 1.1299130100271524
Energy: 1.1391576278328248
Energy: 1.1202867809822985
Energy: 1.128321012244958
Energy: 1.1438932402019062
Energy: 1.1262005291069157
Energy: 1.130663288463484
Energy: 1.1321483689489615
Energy: 1.1178082273161984
Energy: 1.128642094920631
Energy: 1.1093199576966053
Energy: 1.1313450800898064
Energy: 1.1309922788530546
Energy: 1.1160430522394997
Energy: 1.1308938983302956
Energy: 1.1267809250806602
Energy: 1.1103075004662233
Energy: 1.121033857667454
Energy: 1.120908310611623
Energy: 1.1202529713112084
Energy: 1.1284640921325693
Energy: 1.1399194101734753
Energy: 1.1111837835728753
Energy: 1.116942769530384
Energy: 1.1203031597201345
Energy: 1.1227099835097878
Energy: 1.1141264255809993
Energy: 1.120892507033324
Energy: 1.157512623510853
Energy: 1.1166484862991712
Energy: 1.1264480996389048
Energy: 1.1144561424202655
Energy: 1.109574788706986
Energy: 1.1302874508529837
Energy: 1.1887341776236822
Energy: 1.121985504055285
Energy: 1.1209729631158105
Energy: 1.1236473438350085
Energy: 1.123407394168621
Energy: 1.1386778163135423
Energy: 1.150916002727278
Energy: 1.1628496333398217
Energy: 1.1587069825694194
Energy: 1.1352726839763663
Energy: 1.1683343289855435
Energy: 1.1355599553932902
Energy: 1.2106417000409864
Energy: 1.1437761242162432
Energy: 1.1439892107347833
Energy: 1.147845568140381
Energy: 1.1445917108983263
Energy: 1.1470933850271596
Energy: 1.217510279302916
Energy: 1.1457384581840235
Energy: 1.1519335163931568
Energy: 1.152253186439943
Energy: 1.143598911544176
Energy: 1.1575899331280206
Energy: 1.1976596192008182
Energy: 1.1468563790693123
Energy: 1.1409882926449284
Energy: 1.1042429944532803
Energy: 1.1369280196823508
Energy: 1.1252314238136056

minimum gb energy = 1.1042429944532803 eV
minimum distance =  2.28494076802857 Angstroms
sigma value = 101


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

Energy: 1.6770391484388585
Energy: 1.1308084237365341
Energy: 1.1041648113636282
Energy: 1.0429870016066878
Energy: 1.076543333154298
Energy: 1.042970637723772
Energy: 1.2143524594479373
Energy: 1.1022739101039845
Energy: 1.1022329032472773
Energy: 1.081306222383635
Energy: 1.086653538712157
Energy: 1.100360965672652
Energy: 1.188475927920767
Energy: 1.0857018818398776
Energy: 1.0897973462266157
Energy: 1.1247632982119575
Energy: 1.077279490493738
Energy: 1.0940288460786924
Energy: 1.1392353759604583
Energy: 1.0895524616320458
Energy: 1.1017311488019312
Energy: 1.092588653229788
Energy: 1.0851789136733603
Energy: 1.102035400118247
Energy: 1.0917857689063066
Energy: 1.1223645215567903
Energy: 1.1169454310293137
Energy: 1.095038846889049
Energy: 1.1229881693943164
Energy: 1.1051160833843312
Energy: 1.0987181346410622
Energy: 1.1042706198068952
Energy: 1.1036081102291677
Energy: 1.0769069929444186
Energy: 1.089106510237168
Energy: 1.0995667586420437
Energy: 1.1361644874231853
Energy: 1.0728159300566336
Energy: 1.0836762641540734
Energy: 1.1080068777144656
Energy: 1.069863913541914
Energy: 1.0702781927484186
Energy: 1.0716298454185778
Energy: 1.0824830601925592
Energy: 1.0880383987312223
Energy: 1.0878923533419411
Energy: 1.072309040481116
Energy: 1.0900485989556687
Energy: 1.0741761608432998
Energy: 1.1103747451141859
Energy: 1.0957882212694645
Energy: 1.0769231433749675
Energy: 1.1173179279118468
Energy: 1.0909889223851046
Energy: 1.0762631931786566
Energy: 1.1097471976087687
Energy: 1.1065558117784062
Energy: 1.0815178037265238
Energy: 1.1032845571665764
Energy: 1.1053044738767175
Energy: 1.0710556950080234
Energy: 1.0444682765225808
Energy: 1.0462091411134489
Energy: 1.0891057245713136
Energy: 1.0487284512758221
Energy: 1.0446286827344708
Energy: 1.162312733257231
Energy: 1.0794542909776381
Energy: 1.1028843333423244
Energy: 1.1064872983709093
Energy: 1.077012809465947
Energy: 1.105534425555569
Energy: 1.1037886023699615
Energy: 1.1166340547514357
Energy: 1.1108000365062927
Energy: 1.0697801518234253
Energy: 1.1180720215762845
Energy: 1.0953829146718623
Energy: 1.1148422427779776
Energy: 1.100230027107092
Energy: 1.0836790802569216
Energy: 1.0735651962793318
Energy: 1.08203023263314
Energy: 1.101946027584205
Energy: 1.1912943868007213
Energy: 1.0832769830556477
Energy: 1.089377371355965
Energy: 1.1191625396944194
Energy: 1.0787431750267462
Energy: 1.0838691442266513
Energy: 1.1663120712875694
Energy: 1.0839379174884738
Energy: 1.0983142949602702
Energy: 1.093117127864468
Energy: 1.079998887453906
Energy: 1.102021404868239
Energy: 1.1080268422336528
Energy: 1.1446397396064547
Energy: 1.1053802235240526
Energy: 1.0427860804444844
Energy: 1.0899969237371918
Energy: 1.0414332033241058
Energy: 1.2203889344074035
Energy: 1.086328561326691
Energy: 1.0832506779145503
Energy: 1.0993070423408784
Energy: 1.1014872817160046
Energy: 1.1024446697709969
Energy: 1.187828781964759
Energy: 1.0836873267611367
Energy: 1.0883030303581138
Energy: 1.1170530953783404
Energy: 1.0804709408868833
Energy: 1.0847657103266437
Energy: 1.1630540718874314
Energy: 1.0837368284593196
Energy: 1.0862191721075458
Energy: 1.0906886776035085
Energy: 1.0817913989568606
Energy: 1.0991611502102507
Energy: 1.095026523371213
Energy: 1.1154109079276935
Energy: 1.1097632075289399
Energy: 1.0992353515711633
Energy: 1.1170735246649706
Energy: 1.1008891878289622
Energy: 1.0992034046957393
Energy: 1.0998638526493065
Energy: 1.1028459707842087
Energy: 1.0795438135470032
Energy: 1.1011238119018152
Energy: 1.1007548432344851
Energy: 1.1001443222884706
Energy: 1.0791632420622168
Energy: 1.0823498459259098
Energy: 1.1068454213110346
Energy: 1.073693174860729
Energy: 1.0764065983758058
Energy: 1.0759541714251724
Energy: 1.0721959466385205
Energy: 1.0735707857298724
Energy: 1.1089544523193904
Energy: 1.0702212866115381
Energy: 1.0963901306259585
Energy: 1.0817411503583658
Energy: 1.086050347300007
Energy: 1.084921946811023
Energy: 1.0790832281939675
Energy: 1.0831106307923453
Energy: 1.086876642803554
Energy: 1.0748546881802397
Energy: 1.0822594819667193
Energy: 1.1050613601632011
Energy: 1.0767111078828588
Energy: 1.100779265965312
Energy: 1.1000193751402232
Energy: 1.1146794227915544
Energy: 1.0598257449223587
Energy: 1.0613618050977618
Energy: 1.0815183867384943
Energy: 1.048075643429217
Energy: 1.043745987653671
Energy: 1.1881678022008006
Energy: 1.047888891931409
Energy: 1.044595368969641
Energy: 1.081122632723096
Energy: 1.0518404256724962
Energy: 1.1028753670231106
Energy: 1.102001169891909
Energy: 1.0972806716262935
Energy: 1.0775098195717976
Energy: 1.0715272443660078
Energy: 1.081284166210274
Energy: 1.0786747271702353
Energy: 1.1078141847883263
Energy: 1.0994354796296788
Energy: 1.0835306605420705
Energy: 1.0711908820974778
Energy: 1.080509088576248
Energy: 1.0916485173379162
Energy: 1.187612233140772
Energy: 1.0782055909238362
Energy: 1.0840011658360262
Energy: 1.0991742873014267
Energy: 1.076470050493092
Energy: 1.101471282905446
Energy: 1.1871948187635992
Energy: 1.0816406453814487
Energy: 1.0882864744886194
Energy: 1.0900126967814814
Energy: 1.079183868240104
Energy: 1.0996882596053963
Energy: 1.1107140655826055
Energy: 1.08240730419422
Energy: 1.0825801405427007
Energy: 1.0447877166974813
Energy: 1.0736199004891112
Energy: 1.1036602034970862

minimum gb energy = 1.0414332033241058 eV
minimum distance =  2.25854022101801 Angstroms
sigma value = 33


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

Energy: 0.020480068245405346
Energy: 0.021437591179798043
Energy: 0.02122631900963119
Energy: 0.02302528211317725
Energy: 8.553572725016103
Energy: 0.021149472973230245
Energy: 0.021114918132657274
Energy: 0.16789516728523002
Energy: 0.16540180327441933
Energy: 0.1645742976846647
Energy: 0.16613972422711415
Energy: 0.16522038782858545
Energy: 1.6190516085142532
Energy: 1.1521583255172723
Energy: 1.1502642383691861
Energy: 1.1467024326682014
Energy: 1.1507613822135547
Energy: 1.1505138126665515
Energy: 0.6243114473020541
Energy: 0.16789516728387868
Energy: 0.1654018032748871
Energy: 0.1645742976846647
Energy: 0.16613972422664638
Energy: 0.16522038782858545

minimum gb energy = 0.020480068245405346 eV
minimum distance =  2.45681070661285 Angstroms
sigma value = 1