Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315641880036
cohesive_energy=3.5402784385503736
mass=63.546
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=[1.91030724425088e-19, 2.5288755991056e-19, 2.99259358228422e-19, 3.36904100420886e-19, 3.6864161736379197e-19, 3.9597955726973396e-19, 4.19835967349994e-19, 4.4082287907876e-19, 4.593760845004799e-19, 4.758192232952219e-19, 4.90397428487988e-19, 5.033077678047599e-19, 5.1471045890893795e-19, 5.24735278107876e-19, 5.33491173412686e-19, 5.410710710681399e-19, 5.475550799059379e-19, 5.53012093521342e-19, 5.57504596803078e-19, 5.610854615800679e-19, 5.638011509746979e-19, 5.65694923756086e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.6677799516067e-19, 5.655042647366399e-19, 5.63182710793974e-19, 5.59617867783324e-19, 5.54571011386224e-19, 5.47753749808554e-19, 5.388184107207359e-19, 5.273404173147599e-19, 5.12797460007942e-19, 4.945454637934139e-19, 4.717801360009079e-19, 4.4349851405754e-19, 4.0842846971591395e-19, 3.6495180457568995e-19, 3.1097928030613195e-19, 2.43793605335976e-19, 1.5981119118795419e-19, 5.42423308147236e-20, -7.94106031229028e-20, -2.50130213923446e-19, -4.70544857816094e-19, -7.588629518109299e-19, -1.1419770307096438e-18, -1.6608483423370797e-18, -2.38014554217138e-18, -3.40648387214544e-18, -4.925090972915999e-18, -7.279890080737499e-18, -1.1166866725419539e-17, -1.81677217235796e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013667490378095839
Energy: 0.7076578206029719
Energy: 0.013988582190016132
Energy: 0.013874916246255491
Energy: 0.7128478482152806
Energy: 0.014012360929779989
Energy: 0.7076578206029719
Energy: 0.10367151716971554
Energy: 0.10372828425411201
Energy: 1.1028941034208264
Energy: 0.4087849838459018
Energy: 0.10368689918566291
Energy: 0.013988582190016132
Energy: 0.10372828425473982
Energy: 0.10467080472848313
Energy: 0.014011063914426185
Energy: 0.4099110648314478
Energy: 0.10465594269746488
Energy: 0.013874916245941593
Energy: 1.1028941034198847
Energy: 0.014011063914426185
Energy: 0.013868285783542609
Energy: 1.0948370012614654
Energy: 0.013972350743680972
Energy: 0.712847848214025
Energy: 0.4087849838462157
Energy: 0.4099110648320756
Energy: 1.094837008236338
Energy: 0.7031368580294763
Energy: 0.41027925957965933
Energy: 0.014012360929779989
Energy: 0.10368689918534901
Energy: 0.10465594269715098
Energy: 0.01397235074336707
Energy: 0.4102792595802871
Energy: 0.014048708552970255

minimum gb energy = 0.013667490378095839 eV
minimum distance =  2.55080062551743 Angstroms
sigma value = 1


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

Energy: 1.2613934087117118
Energy: 1.3370037586035113
Energy: 1.183352342985696
Energy: 1.2635061085972172
Energy: 1.497209888341696
Energy: 1.178633098923313
Energy: 1.2364232808090603
Energy: 0.8465269297533613
Energy: 0.8455587687954772
Energy: 1.1322269530329632
Energy: 0.8465703291588627
Energy: 0.8320872249211209
Energy: 1.2826001467385062
Energy: 0.8580977523433255
Energy: 0.8319744519403264
Energy: 1.2840790599899854
Energy: 0.8578975631566812
Energy: 0.8123582631551999
Energy: 1.3770805874586802
Energy: 0.942768666282467
Energy: 1.1327970521294184
Energy: 1.3786191385358888
Energy: 1.079402674012916
Energy: 1.1217470146844344
Energy: 1.2245048579327542
Energy: 0.9280370822304079
Energy: 0.9248875268804853
Energy: 1.2239912015773775
Energy: 0.9743940832264171
Energy: 0.926931546656986
Energy: 1.1568794665080475
Energy: 0.8693174010590171
Energy: 0.8579305696819746
Energy: 1.1585636504897714
Energy: 0.9145718872577876
Energy: 0.8560159285201568
Energy: 1.1518313232467348
Energy: 0.9770153345724792
Energy: 0.875424383816462
Energy: 1.153459781062341
Energy: 1.0592863481098922
Energy: 0.857471029486727
Energy: 1.0734897714954488
Energy: 0.9720816969909466
Energy: 0.9796342931172559
Energy: 1.1245934186057707
Energy: 1.0771152289341015
Energy: 0.9556062943790602
Energy: 0.9142765999257099
Energy: 0.903398341696584
Energy: 0.8886065802219296
Energy: 0.9145816514044152
Energy: 1.0948628533895672
Energy: 0.8931449210606334
Energy: 0.9727487810673515
Energy: 0.8507809830383876
Energy: 0.9035848412375377
Energy: 0.974158164138475
Energy: 0.9067741876585452
Energy: 0.880892381416011
Energy: 1.1033651826453654
Energy: 1.060066942475437
Energy: 1.065587870606917
Energy: 1.213556523906254
Energy: 1.2651186910908954
Energy: 1.1856193501369585
Energy: 0.8682106065615394
Energy: 0.8453507084081642
Energy: 0.8249948936706216
Energy: 0.8683752721783567
Energy: 0.8230071834788287
Energy: 0.8315405819181894
Energy: 0.8578506956975929
Energy: 0.8125333910713538
Energy: 0.8481744116501844
Energy: 0.8559833085680606
Energy: 0.8726861134195254
Energy: 0.8322953031099286
Energy: 0.8864849745675663
Energy: 1.1212151107747081
Energy: 1.120853083958564
Energy: 0.8689624194506729
Energy: 1.3792018581240624
Energy: 1.29240847135791
Energy: 0.8870125005626271
Energy: 0.8338573132489567
Energy: 0.8317681938751388
Energy: 0.8872156492473035
Energy: 0.9610258090008317
Energy: 0.8811673047409648
Energy: 0.882544422605713
Energy: 0.8671065805691797
Energy: 0.8573180420939422
Energy: 0.8820517635694111
Energy: 0.9541551569556371
Energy: 0.8641853033828449
Energy: 1.0956380800965215
Energy: 1.0177095343088725
Energy: 1.0183500615460364
Energy: 1.0939517298599524
Energy: 1.1834289860007714
Energy: 0.9383161416893594
Energy: 1.0222514411738326
Energy: 0.9089103551735193
Energy: 0.9117335977677731
Energy: 1.0226940513638638
Energy: 1.0767299166493633
Energy: 0.9095203287424477
Energy: 1.0508620473101284
Energy: 0.8735190132097036
Energy: 0.8726817324772843
Energy: 1.0516422540731811
Energy: 1.0177555648284442
Energy: 0.8723040061503906
Energy: 1.2375636870194544
Energy: 0.9218835798074484
Energy: 0.9234006300929649
Energy: 1.23874260628077
Energy: 1.059595438853516
Energy: 0.9164250697006113
Energy: 1.2643652379936559
Energy: 1.1398487421295687
Energy: 1.0628966645509363
Energy: 1.2662453804246616
Energy: 1.1213970090855525
Energy: 1.066283870145647
Energy: 1.210486359947241
Energy: 0.8798903394521178
Energy: 0.8537879066670656
Energy: 1.212449654927043
Energy: 0.8827856793616952
Energy: 0.8331902890527793
Energy: 1.2370670324606547
Energy: 0.8810449398215523
Energy: 0.8808820382048199
Energy: 1.2332562208431228
Energy: 0.8875117537009197
Energy: 0.8455892786834431

minimum gb energy = 0.8123582631551999 eV
minimum distance =  2.39363259914103 Angstroms
sigma value = 33


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

Energy: 1.4893408990858994
Energy: 1.2062198961821435
Energy: 1.1299343222146288
Energy: 1.3861945903724289
Energy: 1.244873350275335
Energy: 1.2064351575229038
Energy: 1.369683574934612
Energy: 0.8739750896444289
Energy: 0.9015884506772559
Energy: 1.1182059638988273
Energy: 0.8738643692051838
Energy: 0.9140894618864936
Energy: 1.2238036562591403
Energy: 0.9371885933402486
Energy: 0.8854498511916186
Energy: 1.2249369360005364
Energy: 0.8694756731566593
Energy: 0.971509194807122
Energy: 1.2374985822844207
Energy: 0.9678023197244058
Energy: 0.9505585718640231
Energy: 1.2362521332734804
Energy: 1.1024755708941554
Energy: 1.0805432743250347
Energy: 1.4021611739360569
Energy: 1.004799278933468
Energy: 0.9655539392336179
Energy: 1.3022073476814622
Energy: 1.0243429849538237
Energy: 0.9526353837727732
Energy: 1.2564644399882106
Energy: 1.0109208574306945
Energy: 1.0023172733968486
Energy: 1.243841248676334
Energy: 1.0280891323991588
Energy: 0.9722786525606274
Energy: 1.257739282028395
Energy: 1.0306141922146725
Energy: 1.0025747240992124
Energy: 1.249113643017547
Energy: 1.2156898047021314
Energy: 1.0026230503479714
Energy: 1.1957763702131425
Energy: 0.9743439223034901
Energy: 0.9743944075358889
Energy: 1.1892516446964003
Energy: 1.0209754112507339
Energy: 0.9810921406971558
Energy: 1.0021163649664597
Energy: 1.0031977892465502
Energy: 1.0076779978509647
Energy: 1.0009187806218134
Energy: 1.105651230273692
Energy: 1.0203905738240482
Energy: 1.0457646917049277
Energy: 0.99549294118106
Energy: 0.9578231518006638
Energy: 1.0445673417550236
Energy: 1.0057490082822371
Energy: 0.9978886802708667
Energy: 1.1718107764883257
Energy: 1.127756745380323
Energy: 1.1278768517459283
Energy: 1.077697936451153
Energy: 1.389254120135679
Energy: 1.1330324848205608
Energy: 0.9592127037477677
Energy: 0.8256802913555308
Energy: 0.9372381825401446
Energy: 0.9593486787226041
Energy: 1.2150126389790645
Energy: 0.9547996913075887
Energy: 0.9499857203323316
Energy: 0.9550213812324491
Energy: 0.9798844014532231
Energy: 0.9501311364024148
Energy: 1.0072697992885988
Energy: 0.9550360585182859
Energy: 1.3646515105522419
Energy: 1.080644222390932
Energy: 1.0803777609151743
Energy: 1.3711024578595417
Energy: 1.2384431857025031
Energy: 1.0800939782532322
Energy: 1.0289257744330236
Energy: 1.0083692695704114
Energy: 1.004300401952442
Energy: 1.0242799123759148
Energy: 1.0734175060454714
Energy: 1.0079544298760295
Energy: 1.0151628913078
Energy: 0.9750900111688544
Energy: 0.9674439581345515
Energy: 1.0031034491973732
Energy: 1.240618010674207
Energy: 0.9685972352170008
Energy: 1.281496218416736
Energy: 1.0067622023977383
Energy: 1.013714414021373
Energy: 1.1838919768366971
Energy: 1.1939174633483474
Energy: 0.9285581165631316
Energy: 1.0210715777442376
Energy: 1.0139644664994674
Energy: 1.0537125804643932
Energy: 1.021119934789897
Energy: 1.1182350639085945
Energy: 0.983826061307856
Energy: 1.102164868862442
Energy: 0.9118132678506325
Energy: 1.0103552366307904
Energy: 1.1041737977347565
Energy: 0.989258308226161
Energy: 0.8969866062779257
Energy: 1.2368427831301587
Energy: 0.9474451770851184
Energy: 0.9090597964399659
Energy: 1.234653294944119
Energy: 0.9656124107108467
Energy: 0.9121928166387162
Energy: 1.3874307976595157
Energy: 1.1042283909940789
Energy: 1.2067930716889013
Energy: 1.4934468989302716
Energy: 1.115039649736749
Energy: 1.128026761208984
Energy: 1.299846642663912
Energy: 0.881872254803896
Energy: 0.8733725205016333
Energy: 1.3859772461542859
Energy: 0.8734801446484837
Energy: 0.8251546171778165
Energy: 1.2326012425571329
Energy: 0.8691855028948527
Energy: 0.9385098893296479
Energy: 1.1882961721816645
Energy: 0.9379458589506139
Energy: 0.8625641543835005
Energy: 1.2346492691672117
Energy: 1.5244693675989613
Energy: 1.540760813177241
Energy: 1.236247077928357
Energy: 1.5222234792995926
Energy: 1.0805499046984193
Energy: 1.2336076229651944
Energy: 0.9664558796887048
Energy: 0.9525391802326884
Energy: 1.2985112891148114
Energy: 1.0147682104365814
Energy: 0.9866436112379805
Energy: 1.260640538884137
Energy: 0.9985549031842392
Energy: 1.000148110677988
Energy: 1.248664092726256
Energy: 1.006407260189996
Energy: 0.9619089122788684
Energy: 1.2771012907581678
Energy: 1.1241859799065208
Energy: 1.1202143229114883
Energy: 1.2741520645778206
Energy: 1.1826461286631706
Energy: 1.1238577232532303
Energy: 1.2398718427329547
Energy: 0.9621280767571789
Energy: 0.9608772623685978
Energy: 1.191148823241809
Energy: 1.0988120935626522
Energy: 1.0247004514584126
Energy: 1.0592429300342197
Energy: 0.9869602796587527
Energy: 0.9609725437476399
Energy: 1.0600587738874803
Energy: 1.0583552281367559
Energy: 0.9961999322610717
Energy: 1.0393910182779396
Energy: 1.0053502393089406
Energy: 0.9959516718505224
Energy: 1.0402338095608699
Energy: 1.0720403920478752
Energy: 1.0174688010658384
Energy: 1.1461041494066657
Energy: 1.1282716525665042
Energy: 1.1281513060336883
Energy: 1.3076075081058878
Energy: 1.385386291661635
Energy: 1.1280988344936815
Energy: 0.9589562567138799
Energy: 0.801807606393081
Energy: 0.8019313739769265
Energy: 0.95867411660744
Energy: 1.2990310105621439
Energy: 0.9740630855998066
Energy: 0.9503454724993904
Energy: 0.9824240816544904
Energy: 0.956538330849196
Energy: 0.9506025302937897
Energy: 1.0060204332386653
Energy: 0.9578480421536854
Energy: 1.36500501631713
Energy: 1.080410118081343
Energy: 1.0802394386815275
Energy: 1.3648490887379334
Energy: 1.2378825236079718
Energy: 1.0820914123955734
Energy: 1.0297223241643096
Energy: 0.9855666701277779
Energy: 0.9885856549136838
Energy: 1.021929948696656
Energy: 1.0430122486392424
Energy: 0.9855085477759735
Energy: 1.0100063359626086
Energy: 0.9852982362180183
Energy: 0.9696817421574165
Energy: 1.0071076614207193
Energy: 1.246704958482625
Energy: 0.9810307606396895
Energy: 1.1997995378317088
Energy: 1.133961097802889
Energy: 1.1346648197332625
Energy: 1.1293708773938618
Energy: 1.2675466755890472
Energy: 1.1311984160994906
Energy: 1.093681016571312
Energy: 1.0273825804737817
Energy: 1.0193871114451567
Energy: 1.095886201556677
Energy: 1.0049505115061097
Energy: 1.0356868508914518
Energy: 1.020925092449375
Energy: 1.0492474876622249
Energy: 0.8957964540105827
Energy: 1.0209499446573729
Energy: 0.9803214643719023
Energy: 0.9730512832956065
Energy: 1.2788085929138715
Energy: 0.9801271624314168
Energy: 0.9129108697310153
Energy: 1.1016341247665875
Energy: 0.9240853145017502
Energy: 1.0275876099390433
Energy: 1.308567407834657
Energy: 0.9699326836094065
Energy: 0.8019135104124238
Energy: 1.2183245542859729
Energy: 0.9446798897264969
Energy: 0.8835038815823862

minimum gb energy = 0.801807606393081 eV
minimum distance =  2.31404151955032 Angstroms
sigma value = 51


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

Energy: 1.2922855564693934
Energy: 1.4028637248030056
Energy: 1.3935050083742055
Energy: 1.2946993717160717
Energy: 1.5381010126976
Energy: 1.1008995386500517
Energy: 1.2251410313805908
Energy: 0.8979029400106141
Energy: 0.8955423021354182
Energy: 1.202683915090601
Energy: 0.8952216721776719
Energy: 0.8885928986689994
Energy: 1.200443257933863
Energy: 0.8746345942201723
Energy: 0.8745565814015371
Energy: 1.2026342331995343
Energy: 0.8744216455468351
Energy: 0.8098036321195817
Energy: 1.1675764612938098
Energy: 1.0170095460260509
Energy: 1.0171125503514726
Energy: 1.1680197959225123
Energy: 0.9944513959165308
Energy: 1.0428921592369242
Energy: 1.26270347210121
Energy: 0.976970706306349
Energy: 0.9770824435770611
Energy: 1.2626970422236925
Energy: 1.0403711654087286
Energy: 0.9308887461522474
Energy: 1.071978196312386
Energy: 0.9649484976953682
Energy: 0.9590607973584983
Energy: 1.0710963098320956
Energy: 0.9943990691301048
Energy: 0.9791881400249687
Energy: 0.99991957257063
Energy: 0.8825971667795371
Energy: 0.976305051220751
Energy: 0.9999369986429777
Energy: 1.1488525302527144
Energy: 0.9666009277685604
Energy: 1.1177484947836795
Energy: 1.0677826521060803
Energy: 1.0679762356960925
Energy: 1.1187354557054336
Energy: 1.0673339829017099
Energy: 1.0678918330291458
Energy: 0.8743462884351023
Energy: 0.8884300914557021
Energy: 0.8531062284234391
Energy: 0.8744440947335332
Energy: 0.9470808199574635
Energy: 0.8098929461166181
Energy: 0.8959166224273647
Energy: 0.7798684418819681
Energy: 0.8526203022396446
Energy: 0.8959310217974407
Energy: 0.8223022322938652
Energy: 0.895359226771782
Energy: 0.8885335008804842
Energy: 1.248747759277205
Energy: 1.2486536416444227
Energy: 0.8882368487198853
Energy: 1.2481336925803537
Energy: 1.2485830020931494
Energy: 0.9427657188674726
Energy: 0.8610366792354014
Energy: 0.8528507230533169
Energy: 0.9427291474760622
Energy: 1.1685161264347228
Energy: 0.8894532369603405
Energy: 0.8927923345524349
Energy: 0.888821760368624
Energy: 0.84234197744591
Energy: 0.8937071505102243
Energy: 1.1798249018356115
Energy: 0.8900460460310061
Energy: 1.005730885710572
Energy: 1.0444303958136583
Energy: 1.043969304952542
Energy: 1.0323163748911552
Energy: 1.0719060748726181
Energy: 1.0436438224782092
Energy: 1.108643196297762
Energy: 0.9082953538295846
Energy: 1.0038821476052993
Energy: 1.1102468535807941
Energy: 1.1099120100180284
Energy: 0.9511095789433133
Energy: 1.0400770902482774
Energy: 0.9214184979427084
Energy: 0.9262118130470143
Energy: 1.0401010098978376
Energy: 0.9544349220405254
Energy: 0.986080257761046
Energy: 1.2145577497084237
Energy: 0.8896406976660138
Energy: 0.8897325877087265
Energy: 1.0723361779277545
Energy: 0.893697276594275
Energy: 0.8591792359104814
Energy: 1.3187471973457827
Energy: 0.9214709973613554
Energy: 0.9073729484282971
Energy: 1.3146617436362713
Energy: 0.942687382125716
Energy: 0.9071049231141479

minimum gb energy = 0.7798684418819681 eV
minimum distance =  2.37905241756644 Angstroms
sigma value = 19


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

Energy: 1.2122743467085504
Energy: 1.0214580083701772
Energy: 0.9624573293636753
Energy: 1.070194203493477
Energy: 0.8471373201015151
Energy: 1.0769005032275238
Energy: 1.2601710112402293
Energy: 0.8512387867444504
Energy: 0.8512681235473278
Energy: 1.1509364599306289
Energy: 0.8517084159055428
Energy: 0.9430571043820246
Energy: 1.3339587088046791
Energy: 0.9808144094448564
Energy: 0.9217846018985391
Energy: 1.1470251904655129
Energy: 0.8922354705860577
Energy: 1.0480409169109874
Energy: 0.9885225373790195
Energy: 1.032205135589255
Energy: 1.0246701069995565
Energy: 0.9877485854216167
Energy: 1.154089045423077
Energy: 1.0363661135528686
Energy: 1.3359694991136355
Energy: 1.0091402040614867
Energy: 1.0452925494793504
Energy: 1.2316190741253494
Energy: 0.9915792910995106
Energy: 1.0091698589624463
Energy: 1.0900564840948703
Energy: 0.8961301539020751
Energy: 1.02532750664876
Energy: 1.0932305991894402
Energy: 0.8964192385508697
Energy: 1.062477447141394
Energy: 1.1342425864413213
Energy: 1.0236330405003968
Energy: 1.0156632213006411
Energy: 1.1372503288556648
Energy: 1.127211149020153
Energy: 1.0827787084152978
Energy: 1.0736197255787263
Energy: 0.9640774926977741
Energy: 0.9638687213380276
Energy: 1.1517404432230356
Energy: 1.069193305245676
Energy: 0.963725057845983
Energy: 0.9636418010354295
Energy: 0.7234682014797728
Energy: 0.724113767792758
Energy: 0.9617433260925561
Energy: 1.1396275514343612
Energy: 0.7493846995539745
Energy: 0.9639676386522357
Energy: 1.0840210489123472
Energy: 0.962681695253975
Energy: 0.9616747644303832
Energy: 1.1962883976781822
Energy: 0.9644099961344899
Energy: 1.418713484650426
Energy: 0.9865969857981061
Energy: 0.9488161829393048
Energy: 1.415512668939138
Energy: 0.9884691903734907
Energy: 1.531711059024274
Energy: 0.973787247205788
Energy: 1.0549652196044177
Energy: 1.0898749956277076
Energy: 1.0811441366296215
Energy: 0.9916601592662206
Energy: 1.0962192482708182
Energy: 0.8429988985182488
Energy: 0.9531307030446262
Energy: 1.045864130097213
Energy: 0.8429074140266588
Energy: 1.1451434348380394
Energy: 1.0735896146415411
Energy: 0.9769025199302851
Energy: 0.9517635383835239
Energy: 1.060587070187085
Energy: 1.0964691180707986
Energy: 1.0761287877287042
Energy: 0.9552153680966873
Energy: 1.141648548355996
Energy: 0.9987578636112379
Energy: 0.9984811475113241
Energy: 1.2630483034853317
Energy: 0.999200601844665
Energy: 0.9362026800117493
Energy: 1.0689103681962047
Energy: 0.9194356193588393
Energy: 1.041281598217847
Energy: 1.213871160617478
Energy: 0.9186210146362187
Energy: 0.9637056976193252
Energy: 1.1961155232208094
Energy: 0.8512489974533969
Energy: 0.9427509504272938
Energy: 1.2147026350420647
Energy: 0.8515226962079548
Energy: 0.8515776846189054
Energy: 0.9864211940655033
Energy: 0.9803465542085069
Energy: 0.9810995015298052
Energy: 0.9866287781377745
Energy: 0.981461812483291
Energy: 0.9815450634505662
Energy: 0.9864543979506942
Energy: 1.0277521157452318
Energy: 1.0835847134143908
Energy: 0.9864597352586966
Energy: 1.0421670437447137
Energy: 1.0926483316595987
Energy: 1.1473412059351287
Energy: 0.8427381910661489
Energy: 0.8902391993312038
Energy: 1.2664705600648722
Energy: 0.8427438582091045
Energy: 0.8627894099848396
Energy: 1.0960225593730515
Energy: 1.0701029136418028
Energy: 1.0981000447095304
Energy: 1.0946835072473102
Energy: 1.0722155918186442
Energy: 1.0671822173455943
Energy: 1.1372269065165814
Energy: 1.0148163700619284
Energy: 1.1314699187477981
Energy: 1.1349141984852849
Energy: 1.2102037087666193
Energy: 1.1225344971397124
Energy: 0.953105034513479
Energy: 0.9630118662612572
Energy: 0.9630917959627792
Energy: 1.188545286399839
Energy: 1.0694633720762245
Energy: 0.9628403134734363
Energy: 0.9616127402695364
Energy: 0.9566504733809879
Energy: 0.9916156738906866
Energy: 0.963912455979886
Energy: 1.1418980677308888
Energy: 0.961998172413087
Energy: 0.9999844790629309
Energy: 0.9605654438026292
Energy: 1.0497518261524867
Energy: 1.0021147274623419
Energy: 1.0881328697256916
Energy: 1.0007995811856931
Energy: 1.0969138338484725
Energy: 0.9864224197033918
Energy: 0.9479090457626468
Energy: 1.134607800912807
Energy: 0.9879323724040302
Energy: 1.1593821109322582
Energy: 1.1298996715340257
Energy: 1.0804225697464966
Energy: 1.0564529556117879
Energy: 1.0897685390946792
Energy: 1.1736812706608801
Energy: 1.0526404938803078
Energy: 0.8426882590022802
Energy: 1.0763963022675405
Energy: 1.0467429111656281
Energy: 0.8427589033793542
Energy: 1.113341282035471
Energy: 1.0324684365398895
Energy: 1.1729209364661488
Energy: 0.9686040545658315
Energy: 0.958962537118575
Energy: 1.0003409639378034
Energy: 1.022114634495699
Energy: 0.9804167661890238
Energy: 1.2137186100166413
Energy: 0.9817652675349517
Energy: 0.955518729804214
Energy: 1.0689874571007452
Energy: 0.9490771560986673
Energy: 1.0869393654130628

minimum gb energy = 0.7234682014797728 eV
minimum distance =  2.32809943052837 Angstroms
sigma value = 27


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

Energy: 0.904134904375652
Energy: 1.2216453995599332
Energy: 1.3085473587643959
Energy: 0.9065328807740081
Energy: 1.5100859009602419
Energy: 1.3087148638980364
Energy: 1.100700937703286
Energy: 0.8314725347407059
Energy: 0.8314180434331113
Energy: 0.9885681464483447
Energy: 0.8315433128388834
Energy: 0.8312052857658947
Energy: 0.8854942447590923
Energy: 0.7810930813626186
Energy: 0.7812493146920794
Energy: 0.8855112059811135
Energy: 0.7822833791337523
Energy: 0.7812624965647409
Energy: 1.133436801721782
Energy: 1.0007713529504012
Energy: 1.0027263336975856
Energy: 1.2567246988601273
Energy: 1.0353722374443295
Energy: 1.003425627726981
Energy: 0.9867910351714523
Energy: 0.8579195698743488
Energy: 0.7486493845840706
Energy: 0.9856180827099501
Energy: 0.9761797966441531
Energy: 0.745213217985409
Energy: 0.8149024520029713
Energy: 0.8665757395726009
Energy: 0.866292790327446
Energy: 0.8149500695196601
Energy: 0.906497939472273
Energy: 0.8414240290084871
Energy: 0.8207511627325915
Energy: 0.6896045821718181
Energy: 0.7169141795089099
Energy: 0.8207589542244271
Energy: 0.8157651927503928
Energy: 0.8199669913004443
Energy: 0.8313972135593111
Energy: 1.0888151667671628
Energy: 1.0898782747452112
Energy: 0.8312821634158737
Energy: 1.224411797764609
Energy: 1.0509156424664738
Energy: 0.983115813136645
Energy: 0.9977916125407293
Energy: 0.7327932084150152
Energy: 0.9895184761947793
Energy: 1.2531084424396388
Energy: 0.7559057072069292
Energy: 0.7303372096720253
Energy: 0.8496804888854175
Energy: 0.8203267998677259
Energy: 0.8576214671328292
Energy: 0.8850403066462305
Energy: 0.8065392096976488
Energy: 0.8855083188213756
Energy: 0.8048271733577436
Energy: 0.8060565810567739
Energy: 0.8858987565971111
Energy: 0.8208046600195652
Energy: 0.8059260952644356
Energy: 1.1007009377119668
Energy: 0.8314985848421864
Energy: 0.8323927733752953
Energy: 0.9766949806468886
Energy: 0.9057411279393314
Energy: 0.7614406725866409

minimum gb energy = 0.6896045821718181 eV
minimum distance =  2.36076221514982 Angstroms
sigma value = 9


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

Energy: 1.4464832518704174
Energy: 1.455793744811673
Energy: 1.242390497229448
Energy: 1.4480889187827997
Energy: 1.636966349500767
Energy: 1.2476827511765158
Energy: 0.9013996626093412
Energy: 0.6900432926277099
Energy: 0.6900678778513748
Energy: 0.8186242293035085
Energy: 0.6909816195066787
Energy: 0.79574144299981
Energy: 0.7037946734248808
Energy: 0.6656240550027461
Energy: 0.6659055665533123
Energy: 0.7597795735360945
Energy: 0.6668067794164547
Energy: 0.6659813116526826
Energy: 0.91630325073372
Energy: 0.7214702197173645
Energy: 0.7849558217525597
Energy: 0.9174109756635804
Energy: 0.8181021483004048
Energy: 0.7957401070251104
Energy: 0.808141133287915
Energy: 0.7655282441952286
Energy: 0.7019129903201384
Energy: 0.9383393257609111
Energy: 0.9682554479521489
Energy: 0.742726671977363
Energy: 0.7190938761375657
Energy: 0.9769274331230426
Energy: 0.8454013992001471
Energy: 0.7188954909188169
Energy: 1.081174168652495
Energy: 0.6974420929620668
Energy: 0.6873348040401032
Energy: 0.6346720037000015
Energy: 0.7044527850062767
Energy: 0.6883989231801285
Energy: 0.9066557992120566
Energy: 0.6882700231412541
Energy: 0.6988326144184315
Energy: 0.8516266777791588
Energy: 0.8763025135204727
Energy: 0.6993107240643146
Energy: 0.9067968174602863
Energy: 0.6994467160103329
Energy: 0.9453450718388082
Energy: 0.7047321364196121
Energy: 0.7976164475212398
Energy: 0.9472887475944742
Energy: 0.8674845805835137
Energy: 0.8237509610492719
Energy: 1.0928212527002201
Energy: 0.7431038751576861
Energy: 0.7913464040701623
Energy: 1.0940203346229629
Energy: 0.9735922810168559
Energy: 0.8866949514945385
Energy: 0.6660119112325852
Energy: 0.6991601970568306
Energy: 0.6990694923047537
Energy: 0.7832187650640675
Energy: 0.6991372349083287
Energy: 0.6992066664526367
Energy: 0.9441152201271943
Energy: 0.719858405083271
Energy: 0.7196107921423501
Energy: 0.945095265931962
Energy: 0.7198771663621363
Energy: 0.7755346964320702
Energy: 1.2642067461426139
Energy: 1.3110005755148408
Energy: 1.111311862225855
Energy: 1.2660526372293197
Energy: 1.310869918939869
Energy: 1.1127882058759186
Energy: 1.004039825745245
Energy: 0.7344700950226754
Energy: 0.7340313139500598
Energy: 0.9956960419253675
Energy: 0.8663793101988009
Energy: 0.781499907978992
Energy: 0.7805369847842014
Energy: 0.7174870965106837
Energy: 0.7210247683619737
Energy: 0.7806445494280775
Energy: 0.7359843655609584
Energy: 0.8509884342297026
Energy: 0.6725602856686328
Energy: 0.6842633259155757
Energy: 0.6542422640022907
Energy: 0.6719137367830997
Energy: 0.6932709430889844
Energy: 0.6714136239222859
Energy: 0.6894626949991157
Energy: 0.766530338133778
Energy: 0.719478496694337
Energy: 0.6893629615270966
Energy: 1.118819811462929
Energy: 0.6911539190058495
Energy: 0.810850712761571
Energy: 1.1116490229346234
Energy: 0.7914900930564729
Energy: 0.8109047280146664
Energy: 1.2692311493222026
Energy: 0.7851565623367923
Energy: 0.6863390822972218
Energy: 0.665771134516298
Energy: 0.6757065634345039
Energy: 0.6865627348488788
Energy: 0.714146287715135
Energy: 0.7055702040029658
Energy: 0.7006058245255387
Energy: 0.6958916123418248
Energy: 0.6954050307509609
Energy: 0.7014529313038018
Energy: 0.6850443851440954
Energy: 0.6955284585505976
Energy: 0.7031706418834588
Energy: 0.6832508765093346
Energy: 0.6834016586077504
Energy: 0.6997826617381764
Energy: 0.6867785414285787
Energy: 0.6938208798557195
Energy: 1.4484314066125612
Energy: 0.6902621322831631
Energy: 0.7330942718645331
Energy: 1.450239122691404
Energy: 0.808516982560849
Energy: 1.1327030487769667
Energy: 1.1579313434810377
Energy: 0.6895596447092321
Energy: 0.6895536913134208
Energy: 1.0228608525812823
Energy: 0.6887744399285397
Energy: 0.7935190676725103
Energy: 0.8045829529554935
Energy: 0.6663012753051182
Energy: 0.6661267916777366
Energy: 0.8048264550438712
Energy: 0.6661144406904497
Energy: 0.6664247737014726
Energy: 0.9079666846461741
Energy: 0.7798140442941442
Energy: 0.850939447921906
Energy: 0.9092751440017479
Energy: 0.7794157249455212
Energy: 0.8510711026157173
Energy: 0.8668374229912663
Energy: 0.6993856516145456
Energy: 0.7471938759263717
Energy: 0.9344089471667106
Energy: 0.8512446096056423
Energy: 0.7662034158198926
Energy: 1.3357980999707169
Energy: 0.9796594377335427
Energy: 0.9767842120546587
Energy: 1.3356594015541006
Energy: 1.0835687055789582
Energy: 1.2764356889119175
Energy: 0.71956945733474
Energy: 0.88308556740614
Energy: 0.7401264572530662
Energy: 0.7197983794622036
Energy: 0.959951281537534
Energy: 0.7197484928493197
Energy: 0.6993104313500851
Energy: 0.761485183476459
Energy: 0.6996686356857336
Energy: 0.6991424289982028
Energy: 0.8769770894749119
Energy: 0.6996601265810863
Energy: 1.0653380115745972
Energy: 0.8530714448530061
Energy: 0.8639421238783148
Energy: 0.9723096446858545
Energy: 0.906601835250167
Energy: 0.8607407209666255
Energy: 0.6658371909666942
Energy: 0.7203614464862567
Energy: 0.7921252578077959
Energy: 0.6659792960953742
Energy: 0.9386541258408834
Energy: 0.8770076069250742
Energy: 1.0858469486989522
Energy: 0.803838951195281
Energy: 0.8038146775231062
Energy: 1.0872087875784904
Energy: 0.8039686665642205
Energy: 0.9817174878876316
Energy: 0.9706310445059806
Energy: 0.7040555984451238
Energy: 0.7038595710987952
Energy: 0.9440738993493059
Energy: 0.7043479195349325
Energy: 0.7038353166076594
Energy: 1.2702728131656473
Energy: 0.7199447808105026
Energy: 0.71992570455382
Energy: 1.2717146015384941
Energy: 0.7200278471205025
Energy: 0.9961877344964747
Energy: 0.9174452256685665
Energy: 0.7192935027977547
Energy: 0.7193892189211871
Energy: 0.9723943221131688
Energy: 0.857174988842986
Energy: 0.8366729567831722
Energy: 0.8180855138911324
Energy: 0.7172885147111492
Energy: 0.8064822013724632
Energy: 0.8180934403211324
Energy: 0.7324927878136538
Energy: 0.7991501686555582
Energy: 0.6658806658349429
Energy: 0.721513318121834
Energy: 0.6982913023979371
Energy: 0.6671545151756616
Energy: 0.7615627285090905
Energy: 0.6661990445430501
Energy: 0.6899311007720964
Energy: 0.7284030793110515
Energy: 0.8005964188103294
Energy: 0.6900724781764773
Energy: 0.6936636035309082
Energy: 0.6916372916308152
Energy: 1.6510517198568022
Energy: 1.1108531243253923
Energy: 1.1131702457158044
Energy: 1.6511730826761988
Energy: 1.2658451347078552
Energy: 1.4040044289032851
Energy: 0.6873387481015422
Energy: 0.7163897119602572
Energy: 0.7181535383829133
Energy: 0.7916466529764675
Energy: 0.7198114413415088
Energy: 0.7061942896098803
Energy: 0.6851930268206875
Energy: 0.681364107193838
Energy: 0.6604276115543398
Energy: 0.6846759544082961
Energy: 0.7036355512787479
Energy: 0.6792231103127092
Energy: 0.7020816114140191
Energy: 0.6791688048241217
Energy: 0.6797102476456102
Energy: 0.7023118262108947
Energy: 0.6847527890142038
Energy: 0.6797824587574435
Energy: 1.1577024839703607
Energy: 0.689680018695354
Energy: 0.68991235187513
Energy: 1.1605311461379095
Energy: 0.6889982532670793
Energy: 0.7735885400077196

minimum gb energy = 0.6346720037000015 eV
minimum distance =  2.35565782639741 Angstroms
sigma value = 57


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

Energy: 0.4056859598562558
Energy: 0.40511389788556323
Energy: 0.3632278263940476
Energy: 0.2992915456595712
Energy: 0.924480809244388
Energy: 0.4086654332633288
Energy: 0.4065583075456257
Energy: 0.6078919711723074
Energy: 0.6237907112015495
Energy: 0.579454434832915
Energy: 0.5778934093496414
Energy: 0.5347277749092733
Energy: 0.5832689236003966
Energy: 0.549677774937066
Energy: 0.5452785354157704
Energy: 0.5896814728977677
Energy: 0.5449734607693928
Energy: 0.5494302740685486
Energy: 1.4103699924368656
Energy: 0.5624789334369216
Energy: 0.5587283494966215
Energy: 1.4232877634992782
Energy: 0.6083949433443588
Energy: 0.5625317675610401
Energy: 0.5709617627421443
Energy: 0.29799727976764595
Energy: 0.3275465301898176
Energy: 0.5953366022880919
Energy: 0.2976195811976935
Energy: 0.566380473829016
Energy: 0.5447694021368633
Energy: 0.2975247465186931
Energy: 0.29770213455647676
Energy: 0.5552231600910951
Energy: 0.29748694785127844
Energy: 0.32686653886751255
Energy: 0.5401270729080843
Energy: 0.5363800193381876
Energy: 0.5646987451263912
Energy: 0.5412838335309037
Energy: 0.5639820893087887
Energy: 0.5609823118985796
Energy: 1.1786399565693109
Energy: 1.2224411481995388
Energy: 1.2219880686418936
Energy: 1.1856560193557895
Energy: 1.4091473692891086
Energy: 1.209797101966396
Energy: 0.5812074547091544
Energy: 0.6025523330441107
Energy: 0.5637317831474077
Energy: 0.6146121876609284
Energy: 0.5816866913841057
Energy: 0.5647244206602272
Energy: 0.29737971522765483
Energy: 0.557192398244303
Energy: 0.32832728248597404
Energy: 0.297478150485689
Energy: 0.6183349696167484
Energy: 0.36624870456892505
Energy: 0.29740017996946844
Energy: 0.5777088278220645
Energy: 0.5663117072578977
Energy: 0.297569461430303
Energy: 0.5754609681009543
Energy: 0.32717125897498706
Energy: 0.5832935116654844
Energy: 0.5803847701483634
Energy: 0.5804374477323655
Energy: 0.5910059134671557
Energy: 0.5434414198704262
Energy: 0.5671834336865317
Energy: 1.401538358081229
Energy: 1.223536678747933
Energy: 1.2150268771267243
Energy: 1.4080090527037923
Energy: 1.1848192503375978
Energy: 1.216684098496699
Energy: 0.579626854694991
Energy: 0.5595402037451278
Energy: 0.563841813711944
Energy: 0.5806062424981644
Energy: 0.5616056658847254
Energy: 0.5931735324407239
Energy: 0.5740306015247186
Energy: 0.2972627931285268
Energy: 0.297401568491602
Energy: 0.6210154756685357
Energy: 0.2973709310313785
Energy: 0.2977483837290317
Energy: 0.5341450326108648
Energy: 0.5644750017284648
Energy: 0.557740412574644
Energy: 0.5610410349844167
Energy: 0.29766429772528635
Energy: 0.555905104898756
Energy: 0.5351710227546215
Energy: 0.5404999029316346
Energy: 0.5606457884153844
Energy: 0.5497334189679938
Energy: 0.5487177101315157
Energy: 0.539888648926263
Energy: 0.5731148574259003
Energy: 0.589943271810523
Energy: 0.5395638438378662
Energy: 0.5900240529513374
Energy: 1.4110379490568
Energy: 0.5449529085611571
Energy: 0.406422890978773
Energy: 0.6138588851553057
Energy: 0.6400640113634116
Energy: 0.2976361012019803
Energy: 0.6094157362141192
Energy: 0.5859131727160758

minimum gb energy = 0.2972627931285268 eV
minimum distance =  2.42281784834409 Angstroms
sigma value = 11


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

Energy: 1.2034502766583073
Energy: 1.3947115178300526
Energy: 1.1964328071059884
Energy: 1.2056636361259216
Energy: 1.5683099609293494
Energy: 1.2785249069674767
Energy: 0.7556431852989424
Energy: 0.5320169830670292
Energy: 0.5686363178445214
Energy: 0.5705560848503419
Energy: 0.535757589920011
Energy: 0.5672394083442488
Energy: 0.5397896894758168
Energy: 0.5601687197137927
Energy: 0.5535556246225174
Energy: 0.5403946255289258
Energy: 0.5652126811552637
Energy: 0.5567180503667025
Energy: 0.5393461674111163
Energy: 0.5874023550081455
Energy: 0.6137438167380777
Energy: 0.5406279783823467
Energy: 0.5368440942327259
Energy: 0.5505937476816827
Energy: 0.5317023403072147
Energy: 0.7189761569962023
Energy: 0.7284448412454627
Energy: 0.5316196239452929
Energy: 1.0202481436601916
Energy: 0.6023183150566803
Energy: 0.8577115283750791
Energy: 1.1786990746058361
Energy: 1.1709634922725132
Energy: 0.8579171344292083
Energy: 1.1789349658272272
Energy: 0.98980785435495
Energy: 0.7432692909494638
Energy: 0.6678028723563234
Energy: 0.6608246603562703
Energy: 0.5360023608134316
Energy: 0.7433723083854731
Energy: 0.609548299503949
Energy: 0.6098706100112903
Energy: 0.6339204274050122
Energy: 0.6305824980373005
Energy: 0.6120114472121777
Energy: 0.6338922866181935
Energy: 0.734467216670254
Energy: 0.7586503265821193
Energy: 0.6138437045924661
Energy: 0.6240708262417085
Energy: 0.5360174015536366
Energy: 0.6169355409239095
Energy: 0.6236849780335433
Energy: 1.058104862145269
Energy: 0.7910333112872511
Energy: 0.7883465568116385
Energy: 1.055497948563251
Energy: 0.7890352986833996
Energy: 1.0396703182467508
Energy: 1.1796694601465927
Energy: 0.6261183677049426
Energy: 0.6504713357789932
Energy: 1.0210414533480967
Energy: 0.9804135117617931
Energy: 0.6663921482025181
Energy: 0.8551291430088029
Energy: 0.5203535241251974
Energy: 0.749134125136417
Energy: 0.8520013778931559
Energy: 0.5242514057292439
Energy: 0.7807495503784619
Energy: 0.7658523989391537
Energy: 0.8360593589702925
Energy: 0.7811249295086146
Energy: 0.7677194308333699
Energy: 0.8381256429980466
Energy: 0.7659075598898462
Energy: 0.7205987057016051
Energy: 0.6864586873289644
Energy: 0.6874946572136608
Energy: 0.7205257063418431
Energy: 0.8763443949624171
Energy: 0.7482139979391144
Energy: 0.9055682559560471
Energy: 0.9628850621091407
Energy: 0.9527418617211019
Energy: 1.079092281000409
Energy: 0.9701881489861053
Energy: 1.1233131534648462
Energy: 1.0384074947098918
Energy: 0.7189735853481289
Energy: 0.6920954186592014
Energy: 1.0395148705953163
Energy: 0.9492457271094137
Energy: 0.8987988328057066
Energy: 0.9050977520473358
Energy: 1.0708756157549246
Energy: 1.0124299039813507
Energy: 0.9073205142397545
Energy: 1.1461272592966631
Energy: 1.0561745199317178
Energy: 1.0582463669351994
Energy: 0.7501059636477065
Energy: 0.747136108953584
Energy: 0.9096117301024405
Energy: 0.732571210608688
Energy: 0.7096862082529946
Energy: 0.994898012211946
Energy: 0.732926124347437
Energy: 0.7451835275997709
Energy: 0.7127131393839731
Energy: 0.7365536420346264
Energy: 0.7221814430686744
Energy: 0.7543067181046154
Energy: 0.8564783014245049
Energy: 0.9510501269827565
Energy: 0.7559360973634842
Energy: 0.8530041041809593
Energy: 0.9498258380440872
Energy: 0.9902681312751274
Energy: 0.6868331048717238
Energy: 0.6580882063847852
Energy: 0.7777120996583552
Energy: 0.9851129912524323
Energy: 0.7606384724101898
Energy: 1.254412468668886
Energy: 1.0836739703266
Energy: 1.0616571941667243
Energy: 1.2955254650995123
Energy: 1.0810789787139385
Energy: 1.2484016815933512
Energy: 0.6150623440470452
Energy: 0.6547929293462411
Energy: 0.6552310953757869
Energy: 0.6156403464039698
Energy: 0.7963123951751406
Energy: 0.6262306970872781
Energy: 0.6328482409359849
Energy: 0.7091640502387832
Energy: 0.629573588269549
Energy: 0.6342948245450627
Energy: 0.6989931031666311
Energy: 0.6293940474681959
Energy: 0.6278671533624917
Energy: 0.5516459442728713
Energy: 0.5502751943280492
Energy: 0.6288347934189488
Energy: 0.5368478482743294
Energy: 0.7236600897147913
Energy: 1.2990580093442865
Energy: 0.5319826445907029
Energy: 0.6034165587043914
Energy: 1.150857954570851
Energy: 0.758145378614231
Energy: 0.5501952162347207

minimum gb energy = 0.5203535241251974 eV
minimum distance =  2.38412007021573 Angstroms
sigma value = 41


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

Energy: 1.1670910126056613
Energy: 1.2790082942976313
Energy: 1.279858541550759
Energy: 1.168846327471132
Energy: 1.5037745313429167
Energy: 1.036504246818927
Energy: 0.9071703981013459
Energy: 0.5888352096228963
Energy: 0.6291278121090561
Energy: 0.6269589643822384
Energy: 0.5887740482791834
Energy: 0.6290888004599904
Energy: 0.5982807667929038
Energy: 0.6195905806747405
Energy: 0.6247919991875841
Energy: 0.5976024182709779
Energy: 0.6302249890201449
Energy: 0.624791927733173
Energy: 0.5961071221019558
Energy: 0.6314639272179376
Energy: 0.6907926164451497
Energy: 0.5953195032972963
Energy: 0.594660948435092
Energy: 0.7007811402240266
Energy: 0.5932562544149121
Energy: 0.7776650314348201
Energy: 0.785955168121463
Energy: 0.5931201886540941
Energy: 0.8514750551687714
Energy: 0.7276896849035014
Energy: 1.020860987857058
Energy: 1.1690043579005338
Energy: 1.158827306271524
Energy: 1.0218533639824516
Energy: 1.1642050857777655
Energy: 1.1589095122285586
Energy: 0.8992429777366321
Energy: 0.7198486180408099
Energy: 0.6830243836550733
Energy: 0.594888682349615
Energy: 0.72204440040495
Energy: 0.6773858753501965
Energy: 0.7030064812315052
Energy: 0.7599094541713522
Energy: 0.7600582314314802
Energy: 0.7027949338691534
Energy: 0.7597478691733167
Energy: 0.6933708492473384
Energy: 0.8986774779163
Energy: 0.684321155086754
Energy: 0.7016466972690699
Energy: 0.6829769797213268
Energy: 0.6838769104066895
Energy: 0.7015076889691669
Energy: 0.9351803064453049
Energy: 0.9924361974226303
Energy: 0.9922451569095703
Energy: 0.9303046849413751
Energy: 0.9923982264879061
Energy: 0.9922259272298597
Energy: 0.8589061994120426
Energy: 0.5911522724135269
Energy: 0.6159019203821959
Energy: 0.8587694386423571
Energy: 0.5901561665069704
Energy: 0.724664965969528
Energy: 1.0459267286440832
Energy: 0.5622287397899836
Energy: 0.6413567150531341
Energy: 1.0456150551444057
Energy: 0.564750201927651
Energy: 0.6858824396184352
Energy: 0.7446279114793979
Energy: 1.032985319999069
Energy: 0.9761693454303664
Energy: 0.7446266056056323
Energy: 1.0641636102443608
Energy: 0.9078325028310327
Energy: 0.6835702177523242
Energy: 0.7397118914253882
Energy: 0.7607234303161952
Energy: 0.6840564041531233
Energy: 0.61251118840749
Energy: 0.7552763873809731
Energy: 0.7606912771286455
Energy: 0.8852897150576555
Energy: 0.8763054852997829
Energy: 0.7604817889934167
Energy: 0.8957178005381192
Energy: 0.7424076118074462
Energy: 0.8775371609769886
Energy: 0.595031092622324
Energy: 0.6318894835241408
Energy: 0.8775219941232082
Energy: 0.5950324938588435
Energy: 0.6323640487917416
Energy: 1.166344274907597
Energy: 0.9630857674054606
Energy: 1.2763881742382028
Energy: 1.1686641191099256
Energy: 0.9566906040488116
Energy: 0.9806591579821097
Energy: 1.197261964462521
Energy: 0.5887929466455354
Energy: 0.6293263278663523
Energy: 1.1040583013539607
Energy: 0.5888503928576302
Energy: 0.7625384998676332
Energy: 0.5949593519684262
Energy: 0.617914514360341
Energy: 0.6179608577451067
Energy: 0.5948114985071701
Energy: 0.5952717334068615
Energy: 0.6917291517919639
Energy: 0.6408241973788334
Energy: 0.6437988821176006
Energy: 0.6397436783218485
Energy: 0.6297146529862739
Energy: 0.6176936852234229
Energy: 0.6188346342720378
Energy: 0.5914128977377028
Energy: 0.7330704313763039
Energy: 0.6904925289167658
Energy: 0.5915942653363787
Energy: 0.6270705478989133
Energy: 0.6781285767913547
Energy: 1.5052741343921168
Energy: 1.1593254735859138
Energy: 1.1754163223527763
Energy: 1.5043951320566806
Energy: 1.1595557289212426
Energy: 1.0947750638039864
Energy: 0.8983555788451496
Energy: 0.755024514772366
Energy: 0.7549273511914186
Energy: 0.5921665074125104
Energy: 0.8597118449658787
Energy: 0.6781473361394964
Energy: 0.7024264389748941
Energy: 0.7413242543021615
Energy: 0.8697876643337444
Energy: 0.7024175975273523
Energy: 0.7409432150424686
Energy: 0.6773567302109991
Energy: 0.8990339154775167
Energy: 0.6856086987593869
Energy: 0.7017058248668248
Energy: 0.5948788678578057
Energy: 0.6858315538643416
Energy: 0.618359105840684
Energy: 0.8595830636782048
Energy: 0.7142624527153605
Energy: 0.6155944550557128
Energy: 0.8587006835085104
Energy: 0.7140635938245796
Energy: 0.6163905804190999
Energy: 0.930192794187985
Energy: 0.9924730414584284
Energy: 0.9925068250468921
Energy: 0.9299850649099541
Energy: 0.8170448414001047
Energy: 0.6159399202779513
Energy: 1.1854123715351363
Energy: 0.6578296044393015
Energy: 0.6953789993261095
Energy: 1.1660811448919974
Energy: 0.5638932704412081
Energy: 0.6863347329535612
Energy: 1.0843497778060547
Energy: 1.036072207553655
Energy: 1.0337542910524378
Energy: 1.0838016793992484
Energy: 1.065565639828128
Energy: 0.9830174479534679
Energy: 0.684272223926963
Energy: 0.7197811434714829
Energy: 0.7608844836250548
Energy: 0.6843750475648215
Energy: 0.7127878369733351
Energy: 0.698341141639637
Energy: 0.7592874181128529
Energy: 0.8544084194065672
Energy: 0.7457272679397479
Energy: 0.7599704528571134
Energy: 0.8682153438512686
Energy: 0.7603544806061384
Energy: 0.8573292599395785
Energy: 0.6173056520466361
Energy: 0.6437533966794994
Energy: 0.8572779698583226
Energy: 0.5948365584313909
Energy: 0.6374725328983567
Energy: 1.1669665691048792
Energy: 0.5901176479918402
Energy: 0.5607284996732127
Energy: 1.0608019325964835
Energy: 0.8961488980407859
Energy: 0.5576940821572722

minimum gb energy = 0.5576940821572722 eV
minimum distance =  2.3934860520718 Angstroms
sigma value = 33


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

Energy: 0.8107661117750187
Energy: 1.1066895961219625
Energy: 1.1063644207876242
Energy: 0.8127165490845278
Energy: 1.417679676385683
Energy: 1.1053032418156252
Energy: 1.0454000560624066
Energy: 0.6529757703342954
Energy: 0.6876898145547493
Energy: 0.6772390196663044
Energy: 0.6549020513091796
Energy: 0.6331474985464098
Energy: 0.7094405230269819
Energy: 0.6930078546849319
Energy: 0.6929420098929
Energy: 0.7105124743317168
Energy: 0.6922952489727064
Energy: 0.6941774574352897
Energy: 0.7090623503866739
Energy: 0.7127845463070361
Energy: 0.6424124845109577
Energy: 0.7100354160569996
Energy: 0.6678149678076098
Energy: 0.6925201593275493
Energy: 0.7082119708567602
Energy: 0.9491047837591757
Energy: 0.6939917484881363
Energy: 0.7050573911671518
Energy: 1.0369904942660044
Energy: 0.6841228498093445
Energy: 0.7646793782261078
Energy: 0.947550304921255
Energy: 0.9358356609821058
Energy: 0.7647981942319154
Energy: 1.1324619526424151
Energy: 0.9357149409347721
Energy: 0.9531377696277076
Energy: 0.7103184300392407
Energy: 0.7546702230845993
Energy: 0.6666929490098538
Energy: 0.6719397682102415
Energy: 0.7577130937310531
Energy: 0.7995382554173422
Energy: 0.8866397853977742
Energy: 0.6459275437194354
Energy: 0.8010555891037403
Energy: 0.8885168748387745
Energy: 0.6953825660744447
Energy: 0.7018480213015739
Energy: 0.6194297078919682
Energy: 0.6169502366177235
Energy: 0.7128520070834321
Energy: 0.6180671970278628
Energy: 0.6167098199353463
Energy: 1.1327547550756272
Energy: 0.8666665392047816
Energy: 0.8665354200486083
Energy: 0.9791285117660495
Energy: 0.8661384052274141
Energy: 0.8643152721927764
Energy: 1.0556304157803142
Energy: 0.6916128243973224
Energy: 0.6922556963644619
Energy: 0.6667904655998048
Energy: 0.6673104478178346
Energy: 0.6980785916539056
Energy: 0.9060699349892956
Energy: 0.6203142798677327
Energy: 0.7603572679147322
Energy: 0.9071711944352826
Energy: 0.6226183912480749
Energy: 0.7559405804142689
Energy: 0.9016552563419388
Energy: 1.1067671574123943
Energy: 1.1004504455697492
Energy: 0.9017775423735429
Energy: 1.1119762819484391
Energy: 1.1006045466894887
Energy: 0.6654281775458606
Energy: 0.6439669238964485
Energy: 0.6421854070615299
Energy: 0.6665167916272211
Energy: 0.6621151339573803
Energy: 0.6382263460198173
Energy: 0.6484262193414203
Energy: 0.7764779038179856
Energy: 0.7319015526595248
Energy: 0.740312089432493
Energy: 0.7404587482934566
Energy: 0.673119520100707
Energy: 0.6532779621440049
Energy: 0.6863203592212729
Energy: 0.6888336846053406
Energy: 0.6648729705135634
Energy: 0.6674020529689235
Energy: 0.6875907612649667
Energy: 1.1289149444472206
Energy: 0.9207523008677606
Energy: 0.8762457949312047
Energy: 1.1310185151979528
Energy: 0.9225596755372594
Energy: 0.8607628616762687
Energy: 1.0389023309048744
Energy: 0.7049863295125215
Energy: 0.7531525219076439
Energy: 1.0398333828760458
Energy: 0.7081086107784721
Energy: 0.7570357334097046
Energy: 0.6666359776714638
Energy: 0.757227278859154
Energy: 0.6953625748538823
Energy: 0.667444793030946
Energy: 0.8005041415018685
Energy: 0.7580087148076309
Energy: 0.8420140056842631
Energy: 0.7565309697320587
Energy: 0.6955963949379941
Energy: 0.8430462993435784
Energy: 0.7086485558260395
Energy: 0.618259507579863
Energy: 0.617250399983032
Energy: 0.6877129634357164
Energy: 0.6173994663393395
Energy: 0.6176485762390028
Energy: 0.7163445854521063
Energy: 0.619011796328886
Energy: 0.8666375481895919
Energy: 0.9378028194949025
Energy: 0.9381191381832281
Energy: 0.866831435897576
Energy: 0.9748145364027353
Energy: 0.9490062794318957
Energy: 1.0027773016842765
Energy: 0.6541543516823024
Energy: 0.6879267236448906
Energy: 1.004076777927128
Energy: 0.6607893082916731
Energy: 0.611050625816065
Energy: 0.7988563760001993
Energy: 1.279489955838325
Energy: 1.115376867333111
Energy: 1.467948569994079
Energy: 0.9130276567038664
Energy: 1.103575849508733
Energy: 1.04582853155845
Energy: 0.6535650357001642
Energy: 0.6833963919679932
Energy: 0.6592925710022778
Energy: 0.6559406145199477
Energy: 0.6339618553044445
Energy: 0.7092217650537261
Energy: 0.6946064972214978
Energy: 0.6931301695455923
Energy: 0.6666482409665131
Energy: 0.6944309121003182
Energy: 0.644740458880614
Energy: 0.7090813888019877
Energy: 0.6435318209874201
Energy: 0.6441466087639158
Energy: 0.7101813658304463
Energy: 0.6681938552785228
Energy: 0.6927005647582106
Energy: 0.7748295975875459
Energy: 0.6924249616953081
Energy: 0.6930504063935157
Energy: 0.6621985978469925
Energy: 1.0550330915398551
Energy: 0.6874365325528347
Energy: 0.9670238651741349
Energy: 0.9374295112207462
Energy: 0.9347025089171452
Energy: 0.9749469776312478
Energy: 1.1325664036263294
Energy: 0.9469302675975745
Energy: 0.9508662246969503
Energy: 0.6181429911215126
Energy: 0.692445293940867
Energy: 0.6671682348326374
Energy: 0.6881200186238257
Energy: 0.7585253566896949
Energy: 0.8001174959784835
Energy: 0.8872384923967951
Energy: 0.644968247202614
Energy: 0.800701164993427
Energy: 0.8903252713798174
Energy: 0.7805287721725831
Energy: 0.702470641921177
Energy: 0.6175503861025302
Energy: 0.6186887179430298
Energy: 0.7132211276566066
Energy: 0.6253626044605213
Energy: 0.6177302044378079
Energy: 1.0547204821591787
Energy: 0.8629196965754969
Energy: 0.8630726804762527
Energy: 0.668471516825111
Energy: 0.8631488419967489
Energy: 0.8233080392663858
Energy: 1.0598271056968929
Energy: 0.8824135015794985
Energy: 0.8627936272846864
Energy: 0.6684192405227188
Energy: 0.867099696925303
Energy: 0.6958514910687909
Energy: 0.7027916301087372
Energy: 0.6202412499900316
Energy: 0.6978401740901758
Energy: 0.7037778532231499
Energy: 0.6221552799626342
Energy: 0.6907319720174946
Energy: 0.9063293439525811
Energy: 1.101042449999351
Energy: 1.1013859791184757
Energy: 0.9007331666360769
Energy: 1.1036724339997503
Energy: 1.1031092946026868
Energy: 0.6660087999250404
Energy: 0.6452381864076202
Energy: 0.6433005814706863
Energy: 0.6664949574728548
Energy: 0.6874340946595315
Energy: 0.6382120290326023
Energy: 0.6504125040854524
Energy: 0.7220111675048408
Energy: 0.7231224819132618
Energy: 0.633424459815097
Energy: 0.7353875926888144
Energy: 0.7328655080847956
Energy: 0.6662320257198874
Energy: 0.6918311807712016
Energy: 0.687022132610345
Energy: 0.667380290200886
Energy: 0.6678767594971032
Energy: 0.6923890525143553
Energy: 1.129027997139706
Energy: 0.9229141265700156
Energy: 0.7913213436041491
Energy: 1.1312040299952992
Energy: 0.9207963909155389
Energy: 0.8597236553334369
Energy: 1.0851057585038375
Energy: 0.7060997723307267
Energy: 0.7299116799390777
Energy: 1.0366742193819607
Energy: 0.7058965065968873
Energy: 0.6928582412029227
Energy: 0.6653972691945286
Energy: 0.7559670169063131
Energy: 0.6961567552368415
Energy: 0.6663965858084637
Energy: 0.7154873362534445
Energy: 0.7563008500749061
Energy: 0.8276288564936018
Energy: 0.7582515733774433
Energy: 0.6949586405745788
Energy: 0.8282543351807753
Energy: 0.8000421358146557
Energy: 0.6199022847467536
Energy: 0.6166444105060279
Energy: 0.755093067173693
Energy: 0.6172052529320097
Energy: 0.6175393544067339
Energy: 0.7167448831671013
Energy: 0.6177707956543566
Energy: 0.8879188925737241
Energy: 0.9381272637502551
Energy: 0.9405642014746939
Energy: 0.8899669319486878
Energy: 0.9873686675060724
Energy: 0.8875603230939022
Energy: 1.0036667183625974
Energy: 0.66262730309823
Energy: 0.6880521684309555
Energy: 0.9763651181446122
Energy: 0.6671571905292357
Energy: 0.7728779436484187
Energy: 1.4666449485867588
Energy: 0.9137548176437352
Energy: 1.1029297770675401
Energy: 1.1012049258587229
Energy: 0.9137793153680308
Energy: 1.102760541159053

minimum gb energy = 0.611050625816065 eV
minimum distance =  2.39741158237527 Angstroms
sigma value = 67


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

Energy: 0.9853525245893449
Energy: 0.6783218518494464
Energy: 0.6756431701208072
Energy: 0.9875270496725996
Energy: 0.729734255273488
Energy: 0.6754686334045554
Energy: 0.9820873127236102
Energy: 0.7592661602746901
Energy: 0.7036348548687136
Energy: 0.9004514596951549
Energy: 0.7592804155314206
Energy: 0.7036544412873336
Energy: 0.8107900991327064
Energy: 0.6609844706290211
Energy: 0.6921115017109865
Energy: 0.8109460054726326
Energy: 0.660843030877431
Energy: 0.694228256287678
Energy: 0.7440601962072285
Energy: 0.6920080844641862
Energy: 0.6907235970132182
Energy: 0.7442695040076358
Energy: 0.6871465546007284
Energy: 0.6868853499006454
Energy: 0.7246136304127891
Energy: 0.6882689226381136
Energy: 0.6882449207707123
Energy: 0.7248894754474773
Energy: 0.6792420558768641
Energy: 0.7256078544461236
Energy: 0.7257565581587739
Energy: 0.8275349486269106
Energy: 0.7258709311857878
Energy: 0.7257717599932539
Energy: 0.8294196430806281
Energy: 0.725823082362254
Energy: 0.8185938067052073
Energy: 0.7210349816957315
Energy: 0.6791998648841349
Energy: 0.8158262623996018
Energy: 0.7262748625056373
Energy: 0.6784260321830472

minimum gb energy = 0.660843030877431 eV
minimum distance =  2.4250307458038 Angstroms
sigma value = 3


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

Energy: 1.2894312655871647
Energy: 1.0901013586638633
Energy: 1.0877318524629271
Energy: 1.2522298580568254
Energy: 1.0571649458859689
Energy: 1.1224916414705002
Energy: 1.0932017370125973
Energy: 0.9296211631764328
Energy: 0.8888111278940298
Energy: 0.9458754208650669
Energy: 0.9251262309314364
Energy: 0.8605085794033626
Energy: 0.9935985993868343
Energy: 0.9239002333693606
Energy: 0.8598466396454281
Energy: 0.986321801898512
Energy: 1.0991947822904142
Energy: 0.8875252174747514
Energy: 0.8367819622993916
Energy: 0.8373941473636771
Energy: 0.8777290749368077
Energy: 0.842269470419368
Energy: 1.0480405342547083
Energy: 0.8626025502665374
Energy: 0.8251441370580689
Energy: 0.8810851114297129
Energy: 0.8833010959693206
Energy: 0.8282848367826277
Energy: 0.9887497422762125
Energy: 0.8777051577242889
Energy: 0.9102660215136098
Energy: 0.9853890028424889
Energy: 0.8931399014285025
Energy: 0.917879138591288
Energy: 0.9231826796314044
Energy: 0.8805350969003017
Energy: 0.9816360398361766
Energy: 0.933886723780969
Energy: 0.9413952755689879
Energy: 0.9728673380909133
Energy: 0.9274985144150372
Energy: 0.8396168171140603
Energy: 1.2083380008495597
Energy: 1.1671321003836708
Energy: 1.0199364478123276
Energy: 1.2099181173599989
Energy: 1.1051384971335794
Energy: 1.0235977520880926
Energy: 0.9551703186909997
Energy: 0.8668931137086485
Energy: 0.9377345410678789
Energy: 0.8579898624708234
Energy: 0.9615518294844982
Energy: 0.8671677998931112
Energy: 1.1882366488486176
Energy: 0.8689305215580767
Energy: 0.8745669474161886
Energy: 1.2031355419170386
Energy: 1.2462009569980355
Energy: 1.116031177652495
Energy: 0.9619072704888143
Energy: 0.8812356432133441
Energy: 0.8883482153142387
Energy: 0.936703529983272
Energy: 0.8295693766821741
Energy: 0.876886459437776
Energy: 0.9273208483034748
Energy: 0.8916941770079131
Energy: 0.8831555567916671
Energy: 0.8962476810371443
Energy: 0.8571916118854566
Energy: 0.8857707318789886
Energy: 0.9958507294766809
Energy: 0.8227564586097045
Energy: 0.893306019791834
Energy: 0.9797156444590231
Energy: 0.8274323206834431
Energy: 0.877732547219621
Energy: 0.9460505351076767
Energy: 0.826383463441319
Energy: 0.8202256594148855
Energy: 0.9481341749879569
Energy: 0.8209745213128335
Energy: 0.8370068650495552
Energy: 1.0662692171256523
Energy: 0.891500468161689
Energy: 0.9412047289054085
Energy: 1.0677301512558663
Energy: 0.9076596703146131
Energy: 0.8789824842714574
Energy: 1.0259986714788436
Energy: 0.8644260739314271
Energy: 0.8565748039290166
Energy: 1.0186693456979905
Energy: 0.9063510446539915
Energy: 0.8939018320058056
Energy: 1.1019299880897548
Energy: 0.9966741815299368
Energy: 0.9878183333189505
Energy: 1.0996648259313204
Energy: 1.3657222328237766
Energy: 1.1049253244448933
Energy: 1.0168895767942867
Energy: 0.85735007975524
Energy: 0.8889379962327169
Energy: 1.0220776122523296
Energy: 0.9845301441617331
Energy: 0.9152050328153759
Energy: 1.2506962889620363
Energy: 0.939407120804132
Energy: 0.8956762445487054
Energy: 1.2015394055542248
Energy: 0.9485962854229699
Energy: 0.8743547871784586
Energy: 1.1297263907527058
Energy: 0.8902177778338802
Energy: 0.8876473977228952
Energy: 1.0180292700042552
Energy: 0.8997130244520603
Energy: 0.8587008144963818
Energy: 0.9207943251295932
Energy: 0.8318756834651319
Energy: 0.8475012720872741
Energy: 0.9723338991253493
Energy: 0.8281895697207902
Energy: 0.8850286167005312
Energy: 0.9605917497596601
Energy: 0.9598894120340814
Energy: 0.8973168903734393
Energy: 0.9583381125676791
Energy: 0.963645813799362
Energy: 0.898219956233979
Energy: 0.8311733192555156
Energy: 0.8926761015556005
Energy: 0.8674799637133948
Energy: 0.832508942187079
Energy: 0.8473024083081665
Energy: 0.8588901758112898
Energy: 1.0281617824187796
Energy: 0.8834787516295571
Energy: 0.8635638143903774
Energy: 1.0286538259320923
Energy: 1.1702274271457205
Energy: 1.024776824641587
Energy: 0.9665125100522486
Energy: 1.0029633322680989
Energy: 0.8752561568464016
Energy: 0.9603563488573484
Energy: 0.8596875111160714
Energy: 0.8716741437559529
Energy: 1.2555508456341054
Energy: 1.0585629921620645
Energy: 0.9987322706196768
Energy: 1.1672809936801536
Energy: 1.0641732883112174
Energy: 0.9978980449381668
Energy: 0.9670752358910362
Energy: 1.0163207695615868
Energy: 1.0002491208079278
Energy: 0.9655110165955075
Energy: 1.030286624357139
Energy: 0.9562777980438938
Energy: 0.9658142776429474
Energy: 0.9342475711059266
Energy: 0.8808920500158934
Energy: 0.9594508313509842
Energy: 1.0234986415683454
Energy: 0.8786328199101863
Energy: 0.899866460876141
Energy: 0.8681770770371641
Energy: 0.8454222115551612
Energy: 0.9007414288758842
Energy: 1.094728836106521
Energy: 0.9167344484712602
Energy: 0.8195881530659205
Energy: 0.8495307571291207
Energy: 0.822835484705011
Energy: 0.8336656371076363
Energy: 0.9190162184164584
Energy: 0.8328162096054683
Energy: 0.9047882290716766
Energy: 1.0028951949121487
Energy: 0.8758895737742118
Energy: 0.9029034976552608
Energy: 1.0442486050491497
Energy: 0.887563238263787
Energy: 0.9071652142662254
Energy: 0.969084212658182
Energy: 0.9275088508605159
Energy: 0.9062234729484405
Energy: 0.9013881711656682
Energy: 0.8864050200004183
Energy: 1.20806455726751
Energy: 0.9530860846170426
Energy: 0.9412061478749063
Energy: 1.1834928847325557
Energy: 0.9665090818141138
Energy: 0.9159628110179052
Energy: 0.9009541624786733
Energy: 0.9868035311206317
Energy: 0.9574191511707675
Energy: 1.2509858188396625
Energy: 1.053906570857773
Energy: 0.9487626619133281
Energy: 0.8939643099386058
Energy: 0.9272882542330734
Energy: 0.9017390631569274
Energy: 0.9098693144110804
Energy: 0.9190485782312873
Energy: 0.8967783737865038
Energy: 1.137684494328228
Energy: 0.8649722783526014
Energy: 0.8604219825192918
Energy: 1.1265942572245968
Energy: 1.246281827970862
Energy: 1.1160004979664861
Energy: 0.9209046651885041
Energy: 0.8757968789813656
Energy: 0.8968064427838803
Energy: 0.9149561442608297
Energy: 0.8762611711122984
Energy: 0.8870022185060403
Energy: 0.9997420240114324
Energy: 0.8260748161199093
Energy: 0.9292346439998264
Energy: 1.0007078350666332
Energy: 0.9057742859162775
Energy: 0.9208374635479629
Energy: 0.9484396163782419
Energy: 0.8144936732385054
Energy: 0.8133242933615927
Energy: 0.9294777135056296
Energy: 0.8177419608447895
Energy: 0.84090783864408
Energy: 1.0641441310158084
Energy: 0.8740703898725193
Energy: 0.8911635644252751
Energy: 1.0661115111537787
Energy: 0.8796502381194039
Energy: 0.8834278523195421
Energy: 1.025639884611921
Energy: 0.9429855086077573
Energy: 0.8670460266661225
Energy: 1.018215787525959
Energy: 0.900976581869666
Energy: 0.8677398538148495
Energy: 1.025728427918092
Energy: 0.8966890522946839
Energy: 0.9130834047034321
Energy: 1.0194400592734478
Energy: 1.07423481246318
Energy: 1.0263455839663205
Energy: 1.1055008518326876
Energy: 0.9223601130883037
Energy: 0.9146377316571386
Energy: 1.1203337635965274
Energy: 1.1900315338199736
Energy: 1.0349317687261528
Energy: 0.9480481889802121
Energy: 0.9070125558725948
Energy: 0.8747978158245849
Energy: 0.9570532825719761
Energy: 1.0175362173795177
Energy: 0.8574663839121505
Energy: 1.1342192792493506
Energy: 1.0101107765094783
Energy: 0.9077785205167123
Energy: 1.1358396078887656
Energy: 0.9957498888752201
Energy: 0.8765960217266209
Energy: 0.8470392805730786
Energy: 0.8327769110492108
Energy: 0.8413813864379072
Energy: 0.8445605998339852
Energy: 0.8270648993617938
Energy: 0.8141252597409987
Energy: 0.9611539218935206
Energy: 0.9457270804128188
Energy: 0.8988850165614082
Energy: 0.9703077172543816
Energy: 0.9486094490735619
Energy: 0.8995511772628525
Energy: 0.8295841612500972
Energy: 0.8934431079840304
Energy: 0.8920676698212657
Energy: 0.8318007322803066
Energy: 0.8617826000860902
Energy: 0.8977515930592009
Energy: 0.9096713381103547
Energy: 0.8499088988065656
Energy: 0.8984318936742386
Energy: 0.9129677836904337
Energy: 1.133627105752624
Energy: 0.9186182299154424
Energy: 1.0704753020916622
Energy: 0.9314479130384932
Energy: 0.8496702638835946
Energy: 1.0938551812522923
Energy: 0.9272016165162488
Energy: 0.9277032919986574
Energy: 1.092871579556616
Energy: 0.8765898651665717
Energy: 0.7696814595178686
Energy: 0.9325790505223116
Energy: 0.9514155410445575
Energy: 0.8564828299811463

minimum gb energy = 0.7696814595178686 eV
minimum distance =  2.3554088856144 Angstroms
sigma value = 81


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

Energy: 1.5103592090757638
Energy: 1.0831897437701745
Energy: 1.0355665247068184
Energy: 1.460656204952918
Energy: 1.040550300013406
Energy: 1.0821469604624885
Energy: 0.890202740307381
Energy: 0.9760955915252333
Energy: 0.9274596884150418
Energy: 0.8291669804610908
Energy: 1.0262077119264499
Energy: 0.9348678692702966
Energy: 0.9514467817970229
Energy: 0.8523631735813366
Energy: 0.8494088721638031
Energy: 0.9990984281853468
Energy: 1.0343100368241227
Energy: 0.9287682103022055
Energy: 0.8525081866387417
Energy: 0.8503240042319947
Energy: 0.9335807153601223
Energy: 0.8496648960165601
Energy: 0.9118386031182261
Energy: 0.8452695851793094
Energy: 0.8851568305701077
Energy: 0.8889195818078819
Energy: 0.8897708017509384
Energy: 0.8674939212793327
Energy: 0.8962971865986847
Energy: 0.8946448051400657
Energy: 0.985517216162373
Energy: 0.9432946823455225
Energy: 0.9454831421240055
Energy: 0.9926372062858079
Energy: 0.9454578831428205
Energy: 0.9740982264487668
Energy: 1.1527694816510548
Energy: 0.8670318168258784
Energy: 0.8669085623452114
Energy: 1.0954637588030591
Energy: 0.8670312441778667
Energy: 0.8902909010657704
Energy: 1.2321231390177667
Energy: 1.1352387521406757
Energy: 1.145128116764037
Energy: 1.2334942080085194
Energy: 1.141074890187518
Energy: 0.8662242568734804
Energy: 1.154242059518301
Energy: 0.8639779665314415
Energy: 0.8579883053701677
Energy: 1.1417697331798056
Energy: 0.9088626783004585
Energy: 0.9283578826338722
Energy: 1.0832462936098142
Energy: 0.9824856327994445
Energy: 0.9787755655345914
Energy: 1.0754194914662438
Energy: 1.2205371893238006
Energy: 0.9803336726562301
Energy: 0.9795671125234899
Energy: 0.8641014759226612
Energy: 0.894459015653407
Energy: 0.9259766957226374
Energy: 0.774990495427479
Energy: 0.8946942062010085
Energy: 0.8922776895925887
Energy: 0.947901033547455
Energy: 0.9207956652023255
Energy: 0.8968068267957177
Energy: 1.001061418854324
Energy: 0.9181557331607882
Energy: 1.0320037486574154
Energy: 0.837540902198858
Energy: 0.9151060220524918
Energy: 1.0332751314628064
Energy: 0.837163538689544
Energy: 0.8533780839856117
Energy: 0.8982561035236717
Energy: 0.8884943466990689
Energy: 0.8857312065284852
Energy: 0.8892525716332326
Energy: 0.898621055955656
Energy: 0.895632908473367
Energy: 1.2180536133763566
Energy: 0.9710801451004453
Energy: 0.9645958361878639
Energy: 1.211743912132012
Energy: 0.9972214284998856
Energy: 0.965092442803725
Energy: 0.8544149529105546
Energy: 0.9020628519948334
Energy: 0.9063859388736605
Energy: 0.852929721374797
Energy: 1.0119095303374406
Energy: 0.9140963113623538
Energy: 1.0358082215731812
Energy: 0.8215270319264232
Energy: 0.8067617219976165
Energy: 1.0375246776361022
Energy: 1.2337634056112843
Energy: 0.8315599024443336
Energy: 0.7974899993923431
Energy: 0.8459753228502972
Energy: 0.8729294953781912
Energy: 0.7979690272203883
Energy: 0.845630659195474
Energy: 0.8688412909705728
Energy: 0.8001965742600242
Energy: 0.9326496379584467
Energy: 0.9395123452987632
Energy: 0.9390406798891411
Energy: 0.986753601778024
Energy: 0.9416159727711866
Energy: 0.9945771041362272
Energy: 0.9008579554538002
Energy: 0.9010226813438765
Energy: 0.8709215554423981
Energy: 0.9148122244383995
Energy: 0.901999693759895
Energy: 0.7974398651748664
Energy: 0.8058763646897424
Energy: 0.8215192369719339
Energy: 0.797998660510631
Energy: 0.8045685592195452
Energy: 0.8775471323689669
Energy: 0.9622312035982753
Energy: 0.8544225750578728
Energy: 0.8501893589243844
Energy: 0.9597527328927721
Energy: 1.0349706171189945
Energy: 0.897407280276994
Energy: 0.8954404105167064
Energy: 0.9028712567411622
Energy: 0.9004786258432285
Energy: 0.8945771394253147
Energy: 0.8390941311802212
Energy: 0.9045382235560475
Energy: 0.989059297638651
Energy: 0.987146224220607
Energy: 0.9686054006438974
Energy: 0.9491407412503798
Energy: 1.2022811245132812
Energy: 0.9565330974223986
Energy: 1.0657391852101767
Energy: 0.9073156838394051
Energy: 0.8970339050605798
Energy: 1.0651653545203863
Energy: 0.871194740985233
Energy: 0.9210574943906951
Energy: 1.235324678374446
Energy: 1.0003158160748633
Energy: 1.0163241805650702
Energy: 1.2245215121697095
Energy: 1.0021979666413765
Energy: 0.9140935313992645
Energy: 1.2489263112037892
Energy: 0.916699314842717
Energy: 0.8695008546197733
Energy: 1.2041539522194677
Energy: 0.9253632057553035
Energy: 0.8584271137468702
Energy: 1.0756607973931764
Energy: 0.8668694696551155
Energy: 0.9367234479607914
Energy: 1.0768033631062701
Energy: 0.77536382049574
Energy: 0.8997750579808563
Energy: 1.025572982221312
Energy: 0.982685735899021
Energy: 0.9824920908156409
Energy: 1.016419120366998
Energy: 0.9835832413797803
Energy: 0.9824576361229991
Energy: 1.0220425949918053
Energy: 0.9182205823332507
Energy: 0.866955523444986
Energy: 1.011735753784358
Energy: 0.9142639815365308
Energy: 0.9378545234618985
Energy: 1.0329530408786414
Energy: 1.0315801053256648
Energy: 1.044100115553914
Energy: 1.0333098067236002
Energy: 1.0935157952914194
Energy: 0.8560938126698343
Energy: 1.0119950051136906
Energy: 0.9084673662677452
Energy: 0.8656106776698416
Energy: 0.9159364068517399
Energy: 0.9079881855332212
Energy: 0.8988934994962876
Energy: 0.9007809113710687
Energy: 0.8889984353613232
Energy: 0.8908164705711016
Energy: 0.9584033319762324
Energy: 0.8960519496870764
Energy: 0.8845722734020927
Energy: 0.8425045620319784
Energy: 0.9177140180527847
Energy: 0.9404577435753362
Energy: 0.8344112565665067
Energy: 1.07665313050918
Energy: 0.9428089473302902
Energy: 0.8475728438095792
Energy: 0.892610937734453
Energy: 0.9274279661703229
Energy: 0.8513778752251195
Energy: 0.9648897056763918
Energy: 0.8360545004209076
Energy: 1.0255630961590319
Energy: 0.8079096427425824
Energy: 0.8147991068657706
Energy: 1.0645349469236407
Energy: 1.2362605090593441
Energy: 1.029992748127135
Energy: 0.9875341631857215
Energy: 1.0204707379174294
Energy: 0.9450726380730189
Energy: 0.8438186920267008
Energy: 1.1064993785510733
Energy: 0.8787226421465274
Energy: 1.5111280381668586
Energy: 1.0690083309153817
Energy: 1.0402229247785348
Energy: 1.460372693129017
Energy: 1.0762715666345481
Energy: 1.087102071533514

minimum gb energy = 0.774990495427479 eV
minimum distance =  2.37610599497899 Angstroms
sigma value = 43


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

Energy: 1.363008154052673
Energy: 1.045883200496985
Energy: 0.961337407513348
Energy: 1.3648839270614772
Energy: 0.9913414223635636
Energy: 0.8564290631543362
Energy: 0.832106749066421
Energy: 0.8244464175959607
Energy: 0.867010113605867
Energy: 0.9167167555612492
Energy: 0.8244270100718896
Energy: 0.8872396400927985
Energy: 0.9371589565701038
Energy: 0.8139822435356158
Energy: 0.8137801572784599
Energy: 0.937043936565072
Energy: 0.8559614489058748
Energy: 0.877378170633546
Energy: 0.8064132852805187
Energy: 0.7800421780855802
Energy: 0.7873176036204681
Energy: 0.8061951758133216
Energy: 0.9347672935369989
Energy: 0.7906320778801674
Energy: 0.7713042614322229
Energy: 0.8259783051601213
Energy: 0.8378087251864061
Energy: 0.7627278616204084
Energy: 0.8028101585727537
Energy: 0.8377027175424286
Energy: 0.92969791765671
Energy: 0.8020370017734605
Energy: 0.8377791297401056
Energy: 0.9297556814605068
Energy: 0.7672814456315171
Energy: 0.8377110379439112
Energy: 0.7517628667301888
Energy: 0.8154623050816212
Energy: 0.8154307041678329
Energy: 0.7521461523121373
Energy: 0.8155100449861526
Energy: 0.8105696548240625
Energy: 1.148707217657442
Energy: 0.8326848594444225
Energy: 0.8918538556606903
Energy: 1.1494311066798604
Energy: 0.8283051105255622
Energy: 0.8388856998878937
Energy: 0.8253425835079158
Energy: 0.8120720060867692
Energy: 0.8129099058166147
Energy: 0.8240607969749333
Energy: 1.0697085059504738
Energy: 0.813724883531629
Energy: 1.1218876316224011
Energy: 0.960862367646706
Energy: 0.9038345818612795
Energy: 1.1332491995914198
Energy: 0.992390917006877
Energy: 0.9038155733171777
Energy: 1.005799270361523
Energy: 0.9672293196077927
Energy: 0.9052889648332216
Energy: 1.0057917103522411
Energy: 0.8095499237860645
Energy: 0.9351272518028121
Energy: 1.0096683488231566
Energy: 0.8609182731731837
Energy: 0.8382074471549252
Energy: 0.7413227929559607
Energy: 1.05395858643992
Energy: 0.8630904075789502
Energy: 1.1610597104687927
Energy: 0.9000569646903904
Energy: 0.8617022729001914
Energy: 0.8383102431914262
Energy: 0.8998771249642294
Energy: 0.8617765089355623
Energy: 0.9538362828946833
Energy: 0.8292861718930163
Energy: 0.8404264028651733
Energy: 0.7607783020758668
Energy: 0.8459997669217911
Energy: 0.8460995439005614
Energy: 0.8934485914729782
Energy: 0.8966048180117996
Energy: 0.8538733053527978
Energy: 0.8936738340831186
Energy: 0.9998436859512206
Energy: 0.8535098019009367
Energy: 0.7917607465577674
Energy: 0.8487131293293387
Energy: 0.8074488134568095
Energy: 0.7921544244007028
Energy: 0.8147604456409148
Energy: 0.7591672434106785
Energy: 0.770619725334666
Energy: 0.8483463831179889
Energy: 0.849054900579867
Energy: 0.7709082742016939
Energy: 0.9976268550652636
Energy: 0.8488496167642708
Energy: 0.8954253452511173
Energy: 0.8732591900389666
Energy: 0.7963653325831431
Energy: 0.9949055188087866
Energy: 0.9089966877910444
Energy: 0.8430331204062904
Energy: 1.1298526334558459
Energy: 1.0076549201643805
Energy: 0.8489016500663852
Energy: 1.0014458457240283
Energy: 1.007554362813935
Energy: 0.8045961336284763
Energy: 0.9660177402218655
Energy: 1.0295172819385272
Energy: 0.9092146341180203
Energy: 0.8680791893804749
Energy: 1.0561796338523415
Energy: 0.8746814824831779
Energy: 1.01650678169004
Energy: 0.9294108422237102
Energy: 0.8471247594160403
Energy: 1.0176372638558102
Energy: 0.9066632639869632
Energy: 0.8188176252774476
Energy: 1.0066147741254106
Energy: 0.8633576782633329
Energy: 0.863255160101133
Energy: 1.0067052005779469
Energy: 1.2182703473135195
Energy: 0.8635818399946462
Energy: 0.9076376456407087
Energy: 0.7745240095985796
Energy: 0.8455236381292767
Energy: 0.9080553968138007
Energy: 0.8856149924443566
Energy: 0.8461425339859823
Energy: 1.0828156309415953
Energy: 0.9927626831752089
Energy: 0.8701085080099455
Energy: 1.0609230749520506
Energy: 0.9791887131435963
Energy: 0.790045916843034
Energy: 0.9175546399526366
Energy: 0.7719607880111112
Energy: 0.7695282165709182
Energy: 0.9177398027643991
Energy: 0.7723468241614333
Energy: 0.7957138765789776
Energy: 0.925942357696833
Energy: 0.7510778625620076
Energy: 0.8177952457909461
Energy: 0.8542129119912301
Energy: 0.7513780133197698
Energy: 0.8397011573398504
Energy: 0.8381848083261904
Energy: 0.8369133760042524
Energy: 0.8503375294733867
Energy: 0.8382223547773118
Energy: 0.9419988549427397
Energy: 0.8465554204982686
Energy: 0.8617758094886855
Energy: 0.833639489863311
Energy: 0.7991411459937582
Energy: 0.8623338463338291
Energy: 0.8237936044596632
Energy: 0.8027038488803594
Energy: 1.0092859806271242
Energy: 0.839445644492512
Energy: 0.840224394886313
Energy: 1.0058686865481483
Energy: 1.1486955815560511
Energy: 0.8388386466041957
Energy: 1.0264542988143053
Energy: 0.8242119264896379
Energy: 0.8475528557158132
Energy: 1.0266387742931393
Energy: 0.7614256794088958
Energy: 0.8122153113086339
Energy: 1.354441847833011
Energy: 1.111917737803686
Energy: 0.9436084029162799
Energy: 1.3548786902771264
Energy: 1.1130084396300146
Energy: 0.9437016778893623

minimum gb energy = 0.7413227929559607 eV
minimum distance =  2.33040339304901 Angstroms
sigma value = 57


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

Energy: 1.1127648315372172
Energy: 0.8763226220250738
Energy: 0.8763276866854084
Energy: 1.1145057182818834
Energy: 1.1693439487838868
Energy: 0.8767490344204194
Energy: 0.7277171034146106
Energy: 0.7925585730282452
Energy: 0.8308462633209908
Energy: 0.7921490442752118
Energy: 0.7925431983188994
Energy: 0.8297044840797928
Energy: 0.9763645267708856
Energy: 0.8388034266716137
Energy: 0.7305739843984883
Energy: 0.9766914733343606
Energy: 0.8392401813253595
Energy: 0.7707156708039571
Energy: 0.7946123186114168
Energy: 0.8240852163066328
Energy: 0.7919356449966467
Energy: 0.7920074011024567
Energy: 0.8139957051023397
Energy: 0.7915763440398346
Energy: 0.8499436101569766
Energy: 0.809755640300528
Energy: 0.8085409114202344
Energy: 0.8502822684608058
Energy: 0.8066884086290682
Energy: 0.7838267546266688
Energy: 0.9382125025526488
Energy: 0.8333893549765852
Energy: 0.8064182926865897
Energy: 0.9895281054516449
Energy: 0.7789091465377269
Energy: 0.8061718513424218
Energy: 0.8427138811921909
Energy: 0.7899286935183454
Energy: 0.7899655326869547
Energy: 0.8411970726063462
Energy: 0.7929794294345662
Energy: 0.7899552504022336
Energy: 1.0256156128182692
Energy: 0.7897351973657138
Energy: 0.8985260120616604
Energy: 1.0266953835341572
Energy: 0.9075693734049699
Energy: 0.8293344789975605
Energy: 0.8412628383091335
Energy: 0.8302472372696542
Energy: 0.8297714187824183
Energy: 0.8411572281519043
Energy: 0.9178642829110742
Energy: 0.8301042690583889
Energy: 1.131591081659085
Energy: 0.8281716965010661
Energy: 0.8280595229622179
Energy: 1.131526864164354
Energy: 1.143977965508691
Energy: 0.7973081103986435
Energy: 0.9179012804561857
Energy: 0.7861265661916451
Energy: 0.8325170302840291
Energy: 0.9181268717571646
Energy: 0.772080297405894
Energy: 0.8306370347321919
Energy: 0.7290147861604426
Energy: 0.9175452326258464
Energy: 0.8320385250527313
Energy: 0.7304410329044376
Energy: 0.9175109851297457
Energy: 0.8433309732230388
Energy: 0.7317445303687516
Energy: 0.788065585000251
Energy: 0.8439234209362182
Energy: 0.7290466204355879
Energy: 0.7926653066763919
Energy: 0.8442318151914749
Energy: 0.9174615395967977
Energy: 0.7917191756230655
Energy: 0.823411169048045
Energy: 0.9174230912575816
Energy: 0.7928204138638028
Energy: 0.8299141630212657
Energy: 0.918800593648757
Energy: 0.8025922300350241
Energy: 0.828717984538241
Energy: 0.9186988078207569
Energy: 1.0571665386036766
Energy: 0.8280265443897624
Energy: 0.7644767448321307
Energy: 0.7797421492104789
Energy: 0.7797092917155882
Energy: 0.7654849117703046
Energy: 0.8381446102924444
Energy: 0.7893735589351119
Energy: 0.8396102787775729
Energy: 0.8247261606644617
Energy: 0.8246052867286008
Energy: 0.7673060902101261
Energy: 0.9994029816901896
Energy: 0.8239019376227377
Energy: 0.8406708016906257
Energy: 0.7858339769406479
Energy: 0.8484797185920694
Energy: 0.8433546911332334
Energy: 0.7652628129089002
Energy: 0.8241863980843657
Energy: 0.8427264552020499
Energy: 0.7869919242961083
Energy: 0.851351555662105
Energy: 0.8428381056596453
Energy: 0.7870053784056411
Energy: 0.8284519187398397
Energy: 0.8427101319777913
Energy: 0.9652840181313301
Energy: 0.8462991981828084
Energy: 0.7723368398697809
Energy: 1.012278111264407
Energy: 0.8466340353821951
Energy: 0.7712796142923943
Energy: 0.8323419596586068
Energy: 0.8325120343380484
Energy: 0.7715575759958242
Energy: 0.7930662296471397
Energy: 0.8381325696573365
Energy: 1.1959834893276031
Energy: 0.8278571980697742
Energy: 0.8568744822052979
Energy: 1.1963452625699311
Energy: 1.2362338161142652
Energy: 0.8568806996126908
Energy: 0.9172991126881472
Energy: 0.7917610720938594
Energy: 0.832263357622595
Energy: 0.9173115556304227
Energy: 0.9177339782595133
Energy: 0.8307095303964517
Energy: 0.7321415060196249
Energy: 0.9601431638567293
Energy: 0.8440361566155998
Energy: 0.8113012532355518
Energy: 0.9174877451848602
Energy: 0.8442892783660513

minimum gb energy = 0.7277171034146106 eV
minimum distance =  2.40101122520241 Angstroms
sigma value = 17


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

Energy: 1.2055371253965674
Energy: 0.8838332052399489
Energy: 0.8841849190718329
Energy: 1.2075816177243561
Energy: 1.060778288956919
Energy: 0.7445056948471329
Energy: 0.7428507568349123
Energy: 0.7983624864068656
Energy: 0.8222715167862267
Energy: 0.8978694862447333
Energy: 0.8082644429725937
Energy: 0.7629745108624724
Energy: 0.983144035525231
Energy: 0.8031355182116429
Energy: 0.7609743852122962
Energy: 0.9844324141112157
Energy: 0.8033519172579486
Energy: 0.7152952689325637
Energy: 0.8136068502995408
Energy: 0.8030268151171671
Energy: 0.7589709020590284
Energy: 0.8136594878675965
Energy: 0.6814210923915888
Energy: 0.8135504294749503
Energy: 0.8146920969678257
Energy: 0.7521071836320912
Energy: 0.7520028345228328
Energy: 0.8139868130580842
Energy: 0.8330261946868273
Energy: 0.7395907167845882
Energy: 1.0256583441405724
Energy: 0.6955951656448612
Energy: 0.7553061675527902
Energy: 1.0354852513021688
Energy: 0.6953363429912627
Energy: 0.6736347099465508
Energy: 0.7578190783922966
Energy: 0.691936542014819
Energy: 0.6919520236686297
Energy: 0.7583135326502776
Energy: 0.6956543550489934
Energy: 0.708541935671106
Energy: 0.9801789363976277
Energy: 0.7175969517504207
Energy: 0.7795299014828034
Energy: 0.9817915563134965
Energy: 0.8437989860174453
Energy: 0.7799392551431537
Energy: 0.6943161691915588
Energy: 0.7195187215508032
Energy: 0.7660501937254578
Energy: 0.6956754796346509
Energy: 0.7476289834753174
Energy: 0.6920898520639077
Energy: 0.6949618154103787
Energy: 0.7196783596029538
Energy: 0.7195767446374679
Energy: 0.6949336057125858
Energy: 0.7195046904870338
Energy: 0.7197847448312529
Energy: 0.9282381353862813
Energy: 0.7396171040523738
Energy: 0.7523844313864299
Energy: 0.925335116153901
Energy: 0.867014320183777
Energy: 0.7527528122684298
Energy: 0.8496236197654782
Energy: 0.7816234090016152
Energy: 0.7815695569018135
Energy: 0.8441942568713554
Energy: 0.7826845368123246
Energy: 0.7815910039945938
Energy: 0.8548752032068778
Energy: 0.9034695327062562
Energy: 0.8052122094675646
Energy: 0.765555776214953
Energy: 0.9714560726640226
Energy: 0.8072921736424233
Energy: 0.8367619410033049
Energy: 0.8107452686120319
Energy: 0.8119517598101055
Energy: 0.8365292899459733
Energy: 0.8982670152450748
Energy: 0.8399192537841395
Energy: 1.0618248976820484
Energy: 0.8949973635865355
Energy: 0.7829196740705591
Energy: 1.062079139263813
Energy: 0.782955030294505
Energy: 0.784455378090297
Energy: 1.0217648591760808
Energy: 0.8071750355434214
Energy: 0.7791912029001814
Energy: 1.0231331934936545
Energy: 0.8078925753141601
Energy: 0.8050396927148186
Energy: 0.9690779320555072
Energy: 0.8848914474232701
Energy: 0.8508982991359364
Energy: 0.92615355306234
Energy: 0.8857517648970167
Energy: 0.8509795494670092

minimum gb energy = 0.6736347099465508 eV
minimum distance =  2.38033695059138 Angstroms
sigma value = 17


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

Energy: 1.2505726508981008
Energy: 0.8502490317957058
Energy: 0.7193955081445584
Energy: 1.2527408150566428
Energy: 0.9842369759393468
Energy: 0.7819881218389295
Energy: 0.9848709351555202
Energy: 0.841203892318945
Energy: 0.7974813353359828
Energy: 0.9577403228434412
Energy: 0.8910481943932
Energy: 0.8159205703595319
Energy: 0.917694721059064
Energy: 0.7111839595467605
Energy: 0.7572102941633437
Energy: 0.9186480964382763
Energy: 0.7978632844886624
Energy: 0.7266002830532903
Energy: 0.7876642661286817
Energy: 0.7577618552913621
Energy: 0.7262169151486757
Energy: 0.787310041187146
Energy: 0.6385255277172524
Energy: 0.6931721857561982
Energy: 0.7836316715302711
Energy: 0.6971550752285618
Energy: 0.7271937905698527
Energy: 0.7838837797893248
Energy: 0.891423249555756
Energy: 0.7191217530781981
Energy: 1.0951855078845154
Energy: 0.6649843288505217
Energy: 0.6755399951099298
Energy: 1.0980841415792628
Energy: 0.6647418202363904
Energy: 0.7111218813007791
Energy: 0.6767898109267234
Energy: 0.7059055008497335
Energy: 0.663358268381035
Energy: 0.6766929217727558
Energy: 0.6660338415143471
Energy: 0.673836164913292
Energy: 0.9019079331760985
Energy: 0.6525608038365778
Energy: 0.6868643890969154
Energy: 0.7689752929618812
Energy: 0.6484130338378328
Energy: 0.7083740533984372
Energy: 0.6247509744745086
Energy: 0.7077583124521236
Energy: 0.6863427765872399
Energy: 0.6259055612221536
Energy: 0.7811438720039076
Energy: 0.6246734930021876
Energy: 0.6297517572216518
Energy: 0.6870156219978827
Energy: 0.6894141691268358
Energy: 0.6261971805120364
Energy: 0.6810892892184938
Energy: 0.7082786752389285
Energy: 0.8198777908893443
Energy: 0.6267980385289861
Energy: 0.7250804131372978
Energy: 0.7966120071254356
Energy: 0.6265707138765034
Energy: 0.657997461156747
Energy: 0.8171596852722791
Energy: 0.6247602188388246
Energy: 0.6246820270523524
Energy: 0.8183806269722749
Energy: 0.628541774585324
Energy: 0.6861300281360984
Energy: 0.722774266110504
Energy: 0.6578680685822041
Energy: 0.6851282223865948
Energy: 0.681156144891632
Energy: 0.8983150366743595
Energy: 0.6858487068154719
Energy: 0.6642164577026852
Energy: 0.6752521895779026
Energy: 0.6657777369943446
Energy: 0.6639594898486683
Energy: 0.6797655885345525
Energy: 0.6639814211808354
Energy: 0.6646919474036913
Energy: 0.7246157794441596
Energy: 0.7604108745179713
Energy: 0.6648635187356279
Energy: 0.9345122174405043
Energy: 0.7357486141409001
Energy: 0.8777599898330762
Energy: 0.8246649216448539
Energy: 0.7075102758912044
Energy: 0.7917264347610544
Energy: 0.8245237802804192
Energy: 0.7283653385282071
Energy: 0.6761298469693764
Energy: 0.7583747676105473
Energy: 0.7582369166062973
Energy: 0.6769024882590912
Energy: 0.7582970152698542
Energy: 0.6970042373175998
Energy: 0.6765440855063879
Energy: 0.823636719705584
Energy: 0.7905537917068255
Energy: 0.6771626007584067
Energy: 0.923591705734388
Energy: 0.7051114703455905
Energy: 0.9137171292621601
Energy: 0.7586022438760702
Energy: 0.7062029039693712
Energy: 0.9138314426126042
Energy: 0.8147561778627929
Energy: 0.7989872970112636
Energy: 1.0488910617627152
Energy: 0.7859960914712357
Energy: 0.7554123877350474
Energy: 1.0489083656644673
Energy: 0.9502880889607609
Energy: 0.8421099935588279
Energy: 0.9577194001701259
Energy: 0.8901700831022493
Energy: 0.7731924811928896
Energy: 0.958933282412156
Energy: 0.957278357939247
Energy: 0.7741534933728974
Energy: 0.8605819877155456
Energy: 0.8370204680781786
Energy: 0.821136647561251
Energy: 0.8250725326057038
Energy: 0.9146902914540189
Energy: 0.7269420636460904
Energy: 0.7423477981346226
Energy: 0.7875329201638075
Energy: 0.7744020950052872
Energy: 0.742183571039595
Energy: 0.8074318718696827
Energy: 0.8207379267977141
Energy: 0.9338122205657375
Energy: 0.8696113847434565
Energy: 0.7909370509208818
Energy: 0.9326595252682549
Energy: 0.634280770460671
Energy: 0.7910607887766354
Energy: 0.7574648014842897
Energy: 0.7111694418787745
Energy: 0.7573353475957115
Energy: 0.7577260801739777
Energy: 0.7115929865008546
Energy: 0.7266954524106207
Energy: 0.782774887987633
Energy: 0.6968533019133807
Energy: 0.6959103841378996
Energy: 0.7838643086363609
Energy: 0.8091050866773049
Energy: 0.7821558164250972
Energy: 1.0970757937997602
Energy: 0.7178652936838031
Energy: 0.7352185123837902
Energy: 0.7117313798827654
Energy: 0.8618243258292851
Energy: 0.7110934372975551
Energy: 0.900081312756496
Energy: 0.6635783773524366
Energy: 0.6638832302775589
Energy: 0.7869521915241531
Energy: 0.6654127861789636
Energy: 0.6639974819218488
Energy: 0.8866614010348878
Energy: 0.7163044281187005
Energy: 0.7144265836706539
Energy: 0.8875606162637283
Energy: 0.7057008755861454
Energy: 0.6789399112002193
Energy: 0.6271403183395872
Energy: 0.7023576102839314
Energy: 0.7077085100995045
Energy: 0.6271905823553023
Energy: 0.7022960085172597
Energy: 0.7413349640142902
Energy: 0.6302046431414132
Energy: 0.6851899057905114
Energy: 0.6974223870626315
Energy: 0.631260238941845
Energy: 0.7329150609864893
Energy: 0.6472072135100108
Energy: 0.9458914319202256
Energy: 0.7097602072501252
Energy: 0.6557173995801112
Energy: 0.9457945428979373
Energy: 0.6264148296134949
Energy: 0.6551103214145251
Energy: 0.7808036832555805
Energy: 0.6291844193501711
Energy: 0.6246220683594559
Energy: 0.7814693802261954
Energy: 0.6251012473360903
Energy: 0.6244390262142521
Energy: 1.0392971064452254
Energy: 0.6500621082172741
Energy: 0.6824862826688581
Energy: 1.0413757761564977
Energy: 0.6272378609887342
Energy: 0.740012590976091
Energy: 0.6698304090374845
Energy: 0.6754540536251981
Energy: 0.6747877342400096
Energy: 0.6703009300864249
Energy: 0.6775135128747884
Energy: 0.6756937671308544
Energy: 0.6712189809438796
Energy: 0.707142450862688
Energy: 0.7352314114074443
Energy: 0.663824003734545
Energy: 0.7068443993455259
Energy: 0.6644644143065939
Energy: 0.8878400412320052
Energy: 0.7209819588776798
Energy: 0.7203845107358733
Energy: 0.889198924839104
Energy: 0.7167570266145467
Energy: 0.725718594953547
Energy: 0.6784117351127867
Energy: 0.7578198269297721
Energy: 0.7833068533842229
Energy: 0.6709099770381971
Energy: 0.7593863044938935
Energy: 0.757368355187867
Energy: 1.1743010413744346
Energy: 0.8596563451657382
Energy: 0.7582671019499256
Energy: 0.9486208768647051
Energy: 0.9224009081274204
Energy: 0.7879149096900124
Energy: 0.9151588256617545
Energy: 0.7803615217419353
Energy: 0.7743573987881193
Energy: 0.9163836112123385
Energy: 0.8434998374299134
Energy: 0.8127885895488883
Energy: 0.8541057562378721
Energy: 0.7351484469224498
Energy: 0.808564273068569
Energy: 0.8494942533749853
Energy: 0.7351535162225367
Energy: 0.7584893388625018
Energy: 0.9555639719723666
Energy: 0.6740787963706237
Energy: 0.7904360848859212
Energy: 0.9567629307254267
Energy: 0.7771870321194275
Energy: 0.7740366502458256
Energy: 0.7419845586998864
Energy: 0.8514036115634889
Energy: 0.7732268768816069
Energy: 0.742465878336905
Energy: 0.871177655944371
Energy: 0.8206309039194462

minimum gb energy = 0.6244390262142521 eV
minimum distance =  2.36399573657306 Angstroms
sigma value = 57


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

Energy: 1.1278841462291271
Energy: 0.8056060991398837
Energy: 0.6909253360774041
Energy: 1.1293288836204576
Energy: 0.9172257434589282
Energy: 0.73935721232768
Energy: 0.9166752562269748
Energy: 0.7692781041172964
Energy: 0.7579671323932271
Energy: 0.9104369086979613
Energy: 0.8632144068923472
Energy: 0.77593632746706
Energy: 0.8586276547984502
Energy: 0.6697023828177814
Energy: 0.6820873275554311
Energy: 0.8601063186127789
Energy: 0.7432778707376715
Energy: 0.6939258378116149
Energy: 0.753018384416897
Energy: 0.6715284853028238
Energy: 0.6940933058428616
Energy: 0.7519026151591415
Energy: 0.7357929764600278
Energy: 0.6688560620537268
Energy: 0.7364806185405042
Energy: 0.6689221221412164
Energy: 0.6931593683858315
Energy: 0.7377650164394441
Energy: 0.839748184056153
Energy: 0.6949316111316531
Energy: 1.0210201963707344
Energy: 0.6392015990047843
Energy: 0.6425734937048437
Energy: 1.023474218118387
Energy: 0.6390835237659482
Energy: 0.6704036268831055
Energy: 0.8112106511334184
Energy: 0.679117700410554
Energy: 0.684373993469912
Energy: 0.8125923970735768
Energy: 0.6775372138935037
Energy: 0.6385214053941028
Energy: 0.8224646049280744
Energy: 0.6492421383429251
Energy: 0.6594397200057214
Energy: 0.780751129276724
Energy: 0.6485029227047154
Energy: 0.6686341385790827
Energy: 0.5951726077514032
Energy: 0.7570579017650467
Energy: 0.5932625839871171
Energy: 0.5961266802449537
Energy: 0.7962363944760095
Energy: 0.5929515598202088
Energy: 0.5972743735688938
Energy: 0.6866332311074865
Energy: 0.6628547551512677
Energy: 0.5975419039348975
Energy: 0.6663765885789514
Energy: 0.6655314998749395
Energy: 0.9383416345400943
Energy: 0.573745775585137
Energy: 0.6814217554388169
Energy: 0.8003031010458977
Energy: 0.585092895353633
Energy: 0.6688799145436548
Energy: 0.7888843492360836
Energy: 0.578357011736535
Energy: 0.5719298247022374
Energy: 0.7728995330777212
Energy: 0.5759265802121069
Energy: 0.6641684798725866
Energy: 0.575359196249097
Energy: 0.664437345914584
Energy: 0.6454773341215249
Energy: 0.5767133376205165
Energy: 0.6411254305635696
Energy: 0.7334190959910872
Energy: 0.5726575137723955
Energy: 0.6522869260006231
Energy: 0.6391277182849198
Energy: 0.5735565466273772
Energy: 0.7754266718115199
Energy: 0.5718754407705646
Energy: 0.5732032524790395
Energy: 0.6476633669915507
Energy: 0.6596240259902398
Energy: 0.5734205495489852
Energy: 0.6246414484420008
Energy: 0.6474664123880047
Energy: 0.8075419248317033
Energy: 0.5950119479131633
Energy: 0.6466525243982003
Energy: 0.7026530223548312
Energy: 0.605152121327181
Energy: 0.622218312390955
Energy: 0.7166139876895574
Energy: 0.6017527112496995
Energy: 0.5927982694171253
Energy: 0.7160960361616828
Energy: 0.5987451770816452
Energy: 0.6461016080062373
Energy: 0.658539208581637
Energy: 0.6133742677675438
Energy: 0.641748072033148
Energy: 0.6585418975218096
Energy: 0.8289229041580858
Energy: 0.6448831495596711
Energy: 0.6393627722633215
Energy: 0.6292975599475152
Energy: 0.6390996277676715
Energy: 0.6406533863780072
Energy: 0.7536349977703396
Energy: 0.639152082909493
Energy: 0.8128855925383818
Energy: 0.697222789266481
Energy: 0.7034780363432506
Energy: 0.8144717561951929
Energy: 0.6598866546247499
Energy: 0.7113597754029252
Energy: 0.8639584874961407
Energy: 0.7885616419119871
Energy: 0.7089057974067277
Energy: 0.7495415484260902
Energy: 0.787415128857114
Energy: 0.6856513812062401
Energy: 0.6768210561669937
Energy: 0.7264016033416112
Energy: 0.6392891072340023
Energy: 0.6767805944501201
Energy: 0.7353165168515715
Energy: 0.666074415935552
Energy: 0.6962327938342444
Energy: 0.7834012208693306
Energy: 0.7262092187455259
Energy: 0.6941867915075394
Energy: 0.8640993208104178
Energy: 0.751174280877074
Energy: 0.8615388222842559
Energy: 0.6599588302353052
Energy: 0.6700624841357795
Energy: 0.8632304177354964
Energy: 0.8568967126136269
Energy: 0.7576191543190528
Energy: 0.8595428649236466
Energy: 0.6941915527996445
Energy: 0.6945556983339057
Energy: 0.8601487705240738
Energy: 0.6944472361915114
Energy: 0.7509492144932303
Energy: 0.8965916866623934
Energy: 0.8460489778852652
Energy: 0.7272815996575347
Energy: 0.8973733218406124
Energy: 0.8988242552446326
Energy: 0.726415694229771
Energy: 1.1300221890309952
Energy: 0.7921122459397485
Energy: 0.6941481633846978
Energy: 0.9167651951637141
Energy: 0.8609505357010322
Energy: 0.7181596054453295

minimum gb energy = 0.5718754407705646 eV
minimum distance =  2.37455522500954 Angstroms
sigma value = 43


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

Energy: 1.0489658905499257
Energy: 0.7044827905391399
Energy: 0.6157772326339185
Energy: 1.0506063383498323
Energy: 0.7718973178804103
Energy: 0.6146265762529713
Energy: 0.7600077705062486
Energy: 0.6384615106271772
Energy: 0.6382135481202169
Energy: 0.757683214930181
Energy: 0.7383684754410171
Energy: 0.5650153382971704
Energy: 0.7330029995700009
Energy: 0.5683334325477342
Energy: 0.5759341579509638
Energy: 0.7344567276077664
Energy: 0.6245610227273561
Energy: 0.5580668217685216
Energy: 0.6501065903831444
Energy: 0.5737198093688584
Energy: 0.5583073123858725
Energy: 0.6500602292037609
Energy: 0.6220774770823809
Energy: 0.5899963418828507
Energy: 0.6380899959502381
Energy: 0.5823294577608186
Energy: 0.5680697909890182
Energy: 0.6380334930781981
Energy: 0.7048553299254163
Energy: 0.556307769557781
Energy: 0.972293922832981
Energy: 0.564137842518188
Energy: 0.5564842414759356
Energy: 0.9741696729829756
Energy: 0.5639369769811668
Energy: 0.5336015205475041
Energy: 0.7003319167951974
Energy: 0.5918455460218455
Energy: 0.5918583185617996
Energy: 0.7016740167429539
Energy: 0.5965604458529318
Energy: 0.6033561414832586
Energy: 0.6738839668625737
Energy: 0.5653176175672757
Energy: 0.5490984739340085
Energy: 0.6750648830921143
Energy: 0.5401542082238496
Energy: 0.5491543565041034
Energy: 0.5265617720999066
Energy: 0.5488513448328185
Energy: 0.5244101877004651
Energy: 0.5280438532620112
Energy: 0.6657206142106499
Energy: 0.5243964563070949
Energy: 0.5856475740229696
Energy: 0.5435486231482073
Energy: 0.5365972314592119
Energy: 0.5244830380897196
Energy: 0.5626677569356003
Energy: 0.5335362937699765
Energy: 0.7607800922193552
Energy: 0.4994310654349189
Energy: 0.5803977842395772
Energy: 0.5713677393004071
Energy: 0.49937118461997343
Energy: 0.5374631401709392
Energy: 0.6707923053568013
Energy: 0.5001298772620381
Energy: 0.4996271630276469
Energy: 0.662822860538067
Energy: 0.5020944660311345
Energy: 0.577405483120826
Energy: 0.6486464619834807
Energy: 0.5369198679348507
Energy: 0.5609894419650295
Energy: 0.6500037636006961
Energy: 0.5537463298976112
Energy: 0.5606887016348044
Energy: 0.48513718205773365
Energy: 0.6800510584602103
Energy: 0.4851740685307917
Energy: 0.4865242695952042
Energy: 0.6535835138160518
Energy: 0.4853677337886969
Energy: 0.48742841842155565
Energy: 0.552281016104804
Energy: 0.5335639597520592
Energy: 0.4875838360054825
Energy: 0.55261673697715
Energy: 0.5450526332988478
Energy: 0.5430936343240174
Energy: 0.47943491152864
Energy: 0.4793396580598933
Energy: 0.5437856020703449
Energy: 0.4793290709229864
Energy: 0.5540746635626624
Energy: 0.6651707466550325
Energy: 0.4802651795317497
Energy: 0.48022645753882515
Energy: 0.6624212873609839
Energy: 0.4802255006189384
Energy: 0.5612209158010838
Energy: 0.6395258420082786
Energy: 0.5877096110445023
Energy: 0.5853251928690894
Energy: 0.5645016414054806
Energy: 0.692530935572594
Energy: 0.5005312952412986
Energy: 0.4783812768338328
Energy: 0.5952420339260948
Energy: 0.47846592643104197
Energy: 0.47915690425818735
Energy: 0.6543384907099682
Energy: 0.4784793997408634
Energy: 0.6414415940974991
Energy: 0.5842941506492855
Energy: 0.5890681250060461
Energy: 0.643009733606902
Energy: 0.5364196957930174
Energy: 0.5503784362101745
Energy: 0.6548579387175102
Energy: 0.4879288160781925
Energy: 0.48774444411999734
Energy: 0.6686824761768729
Energy: 0.48789760565804596
Energy: 0.5535508189258872
Energy: 0.5417466477983686
Energy: 0.48550870708330746
Energy: 0.485548939153123
Energy: 0.5423132840219487
Energy: 0.48540341543775944
Energy: 0.5577174848352431
Energy: 0.584324218853116
Energy: 0.5372463688277955
Energy: 0.5334577666789161
Energy: 0.5017756550184115
Energy: 0.6422728875292103
Energy: 0.532061360965368
Energy: 0.49977386806361984
Energy: 0.6645796521368627
Energy: 0.4994056342985517
Energy: 0.501287107879021
Energy: 0.6596600977828126
Energy: 0.4996165316577272
Energy: 0.6579236024034926
Energy: 0.5390224891788868
Energy: 0.5438033029741275
Energy: 0.6594372698621789
Energy: 0.5563378836880192
Energy: 0.5434856608932207
Energy: 0.673616302163743
Energy: 0.5244397609733569
Energy: 0.5245848015753726
Energy: 0.6752300196560438
Energy: 0.5245817470002087
Energy: 0.5295598050395974
Energy: 0.7936087477098238
Energy: 0.5238615381853272
Energy: 0.5637423180120823
Energy: 0.5675736073737487
Energy: 0.5238485023713723
Energy: 0.5443659516539117
Energy: 0.5532870419645238
Energy: 0.5607262347579371
Energy: 0.5622313159594832
Energy: 0.5665811091747022
Energy: 0.6441308287348457
Energy: 0.5544342913065883
Energy: 0.5676218684683819
Energy: 0.5611417517514906
Energy: 0.5651534108853026
Energy: 0.568637785574168
Energy: 0.6786656653883095
Energy: 0.5653150608733709
Energy: 0.6967393559615046
Energy: 0.5822325518808528
Energy: 0.5615001700358172
Energy: 0.6980994883658842
Energy: 0.5537710122442743
Energy: 0.5612620568573665
Energy: 0.7115918354817422
Energy: 0.6760056740831657
Energy: 0.6761261554273462
Energy: 0.7110688677052085
Energy: 0.6809507155628486
Energy: 0.6885574715539966
Energy: 1.011371532530218
Energy: 0.6330488374997992
Energy: 0.5747690384100678
Energy: 1.0130906955744146
Energy: 0.6329650769120164
Energy: 0.5495920300343151
Energy: 0.654170638602966
Energy: 0.6331150303311012
Energy: 0.623482366920455
Energy: 0.6548124404962925
Energy: 0.7315829263722455
Energy: 0.6250325550944361
Energy: 0.7350730032958072
Energy: 0.5939372601708653
Energy: 0.5659616827770331
Energy: 0.6437295322806218
Energy: 0.6503574948279341
Energy: 0.6340761237718894
Energy: 0.7331424641861752
Energy: 0.5817888512579388
Energy: 0.5847659535785442
Energy: 0.7345289950257837
Energy: 0.6355118370464036
Energy: 0.5903172074727818
Energy: 0.7600077815553383
Energy: 0.623251586456392
Energy: 0.6235891991624051
Energy: 0.7591012928522043
Energy: 0.7595036854897076
Energy: 0.6249084018243877

minimum gb energy = 0.4783812768338328 eV
minimum distance =  2.35387733513433 Angstroms
sigma value = 81


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

Energy: 0.23000670545060808
Energy: 0.26184536800075947
Energy: 0.03592018185520307
Energy: 0.037388669940598855
Energy: 0.42525260857176583
Energy: 0.2301771991814992
Energy: 0.2627995130009271
Energy: 0.5280122040017957
Energy: 0.4243942646765213
Energy: 0.4298422110531398
Energy: 0.4245402015338796
Energy: 0.531132029451438
Energy: 0.8161873513765413
Energy: 0.035874297771570716
Energy: 0.0359372795264503
Energy: 0.8215371136085476
Energy: 0.035798616953256125
Energy: 0.036052122650733945
Energy: 0.4241646397413745
Energy: 0.03586852368845925
Energy: 0.0360707894670488
Energy: 0.5104112351874176
Energy: 0.03595883043784325
Energy: 0.06805584595701505
Energy: 0.0675840735227221
Energy: 0.4549656385589264
Energy: 0.45341488418202996
Energy: 0.06847081401276808
Energy: 0.8157360927678705
Energy: 0.45512271868627446
Energy: 0.03657017080179113
Energy: 0.6067389322912574
Energy: 0.03600241254463278
Energy: 0.03758919517596474
Energy: 0.4208371123501523
Energy: 0.03584008680313038
Energy: 0.42335440420560716
Energy: 0.4206169437591532
Energy: 0.531123574566242
Energy: 0.4232926522799769
Energy: 0.42480809258471636
Energy: 0.4269147302204793
Energy: 0.456817920607309
Energy: 0.03584992966326264
Energy: 0.0359601339155123
Energy: 0.4533188710058455
Energy: 0.035868199272355517
Energy: 0.03590879160089971
Energy: 0.4275066287877528
Energy: 0.035914548814642
Energy: 0.06940989883607895
Energy: 0.42948128563854204
Energy: 0.03590052347941756
Energy: 0.06921222599404472
Energy: 0.23026402860479003
Energy: 0.45345171691162534
Energy: 0.45349656949950506
Energy: 0.03602183785278401
Energy: 0.8195761440719367
Energy: 0.45370798318812205

minimum gb energy = 0.035798616953256125 eV
minimum distance =  2.50182088633502 Angstroms
sigma value = 3


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

Energy: 1.0965587534714294
Energy: 0.6247212629614477
Energy: 0.6627820284626242
Energy: 1.0969708494200234
Energy: 0.5975030413404632
Energy: 0.6034969977730446
Energy: 0.6504557474369971
Energy: 0.6312713385422957
Energy: 0.6310246005838982
Energy: 0.6555530009603052
Energy: 0.6545404358317359
Energy: 0.6434840956596329
Energy: 0.6590645792979292
Energy: 0.6041030225488971
Energy: 0.6036860025186077
Energy: 0.6596702715842947
Energy: 0.6037779008765437
Energy: 0.6248816582552145
Energy: 0.625833540257558
Energy: 0.6030707599852251
Energy: 0.602870757194643
Energy: 0.6259561719857629
Energy: 0.5475916462463486
Energy: 0.6410205807150949
Energy: 0.5354741262729898
Energy: 0.6310670479323788
Energy: 0.6467308947200131
Energy: 0.5344055376937443
Energy: 0.6546072796424112
Energy: 0.6449272790476802
Energy: 1.0401931115345946
Energy: 0.6152967427484181
Energy: 0.6581514565506684
Energy: 0.6210227319590412
Energy: 0.6156214530624855
Energy: 0.5807583230254064
Energy: 0.630022628496886
Energy: 0.6191786811032659
Energy: 0.6130286533724677
Energy: 0.6293036068539051
Energy: 0.6065879100954552
Energy: 0.6521747885368934
Energy: 0.6287425294629826
Energy: 0.584868019881138
Energy: 0.5845769708431486
Energy: 0.6245014859410559
Energy: 0.5558696060020573
Energy: 0.5737990645461555
Energy: 0.6501201126748979
Energy: 0.5842488104118565
Energy: 0.6190311947792063
Energy: 0.651178912455352
Energy: 0.5152740369323885
Energy: 0.6192347210989546
Energy: 0.6038406546764777
Energy: 0.5410248618791156
Energy: 0.558719744225221
Energy: 0.603890412600991
Energy: 0.5406317162162441
Energy: 0.5396047053991663
Energy: 0.6153742202670363
Energy: 0.5942027699605523
Energy: 0.5880644535386279
Energy: 0.5619336186097842
Energy: 0.605168186501779
Energy: 0.5620877271542188
Energy: 0.5051828536277049
Energy: 0.6019927895878927
Energy: 0.6046656486150707
Energy: 0.5057394570720993
Energy: 0.5939870875794288
Energy: 0.5031915986661221
Energy: 0.5465276197860769
Energy: 0.548574513864594
Energy: 0.5663790147782887
Energy: 0.5461280261589746
Energy: 0.5484236365573312
Energy: 0.5370416049491199
Energy: 0.7007848724746454
Energy: 0.5517504763883858
Energy: 0.5712618451891112
Energy: 0.6282911213240733
Energy: 0.4973999868318572
Energy: 0.5697384007463568
Energy: 0.5978360030450286
Energy: 0.5100415251464517
Energy: 0.5100466167563871
Energy: 0.5989578474463503
Energy: 0.5124774638249313
Energy: 0.5096324013040218
Energy: 0.6089977148910098
Energy: 0.5549518400825597
Energy: 0.5515045951153646
Energy: 0.5959301238190619
Energy: 0.6070870831420967
Energy: 0.5521410858452453
Energy: 0.48537499889789437
Energy: 0.5579116753676817
Energy: 0.5631514987056178
Energy: 0.4856110718625253
Energy: 0.5595349626729776
Energy: 0.48541028268556224
Energy: 0.5117656060051101
Energy: 0.5494723824274956
Energy: 0.5557442490138793
Energy: 0.5115420255661467
Energy: 0.5494525423770262
Energy: 0.593619452173542
Energy: 0.802809243202628
Energy: 0.6109496371620324
Energy: 0.5496296438967898
Energy: 0.8039399424890769
Energy: 0.6048220431955433
Energy: 0.556442409087036
Energy: 0.5999278242208752
Energy: 0.49789237688485677
Energy: 0.48704505879782745
Energy: 0.6013597655891377
Energy: 0.5012763302446847
Energy: 0.4853544006888784
Energy: 0.5997249767980534
Energy: 0.5549654030745487
Energy: 0.5540984525504861
Energy: 0.6001012034526555
Energy: 0.5647626234813296
Energy: 0.556184825108425
Energy: 0.5126748565130476
Energy: 0.5502590145051078
Energy: 0.5226218155067247
Energy: 0.5136400497020771
Energy: 0.6270708261976586
Energy: 0.5099618321779406
Energy: 0.48377504212412625
Energy: 0.5931698047123228
Energy: 0.5955344876235226
Energy: 0.4925705235239638
Energy: 0.7073703942659303
Energy: 0.5969341355768663
Energy: 0.9064978986136115
Energy: 0.5462489406497519
Energy: 0.524671303504302
Energy: 0.9071273850766179
Energy: 0.546254413078575
Energy: 0.5343020119715807
Energy: 0.5806201316084411
Energy: 0.5044335741602413
Energy: 0.5049586405095217
Energy: 0.5809715834593595
Energy: 0.5050543031317051
Energy: 0.5032486206091928
Energy: 0.6362320952490104
Energy: 0.5759054807718351
Energy: 0.5757890847184169
Energy: 0.6054191710569758
Energy: 0.5513937149192695
Energy: 0.5879225056272345
Energy: 0.5793040945038562
Energy: 0.5759646431127318
Energy: 0.5522578312208427
Energy: 0.5804036871824513
Energy: 0.6307397749467976
Energy: 0.5588453689732649
Energy: 0.516145357394947
Energy: 0.6510829750126681
Energy: 0.6500366421696891
Energy: 0.5161404249787503
Energy: 0.6521769492467849
Energy: 0.649833489009598
Energy: 0.9908687140634229
Energy: 0.6480917086620822
Energy: 0.5795886738821298
Energy: 0.5664196429912444
Energy: 0.6479424863156074
Energy: 0.5535687179200827
Energy: 0.5645568641374638
Energy: 0.6295313087957145
Energy: 0.5982348202236428
Energy: 0.5650359084518031
Energy: 0.6318113289154871
Energy: 0.597364375049126
Energy: 0.6226693764946682
Energy: 0.5913594549444078
Energy: 0.5912823153396661
Energy: 0.623299116525792
Energy: 0.5594217313908824
Energy: 0.596396144135697
Energy: 0.6880376177509654
Energy: 0.5910959817891284
Energy: 0.6367447536717866
Energy: 0.6886582793970353
Energy: 0.5146050922448515
Energy: 0.658420182039448
Energy: 0.5485529714376661
Energy: 0.6251671375695256
Energy: 0.6250859271024446
Energy: 0.5486231039938474
Energy: 0.6257729413329018
Energy: 0.5991626132807722

minimum gb energy = 0.48377504212412625 eV
minimum distance =  2.35576888593827 Angstroms
sigma value = 67


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

Energy: 1.0754946707288333
Energy: 0.7400429050767243
Energy: 0.7900900544889411
Energy: 1.0770016339721447
Energy: 0.7418829663111508
Energy: 0.7761411365461992
Energy: 0.7241766957402462
Energy: 0.7465006850133058
Energy: 0.7398681394710572
Energy: 0.7759202596828813
Energy: 0.7790786501001474
Energy: 0.7607620292380114
Energy: 0.8372583209440805
Energy: 0.7268006427794943
Energy: 0.7558380652071615
Energy: 0.77907162648227
Energy: 0.723531141715764
Energy: 0.7552874951492893
Energy: 0.7292845687389686
Energy: 0.7581981178236675
Energy: 0.7583142021427719
Energy: 0.7305485887289274
Energy: 0.7001316552593796
Energy: 0.7604928567477138
Energy: 0.6794739893257078
Energy: 0.7458280424983375
Energy: 0.7664773601833001
Energy: 0.679475949302661
Energy: 0.7769797978724551
Energy: 0.7713479900022303
Energy: 1.009745419086081
Energy: 0.7692678863301866
Energy: 0.7736561352278215
Energy: 1.0131604072164224
Energy: 0.769390972606976
Energy: 0.7425268108266153
Energy: 0.6844398828494774
Energy: 0.8012596937839522
Energy: 0.7729532124562998
Energy: 0.6823684341034768
Energy: 0.7859189184458008
Energy: 0.7206908290819265
Energy: 0.7335293552656407
Energy: 0.7100581032123794
Energy: 0.662852504622474
Energy: 0.7342256077973406
Energy: 0.6959399334295263
Energy: 0.7211698002859025
Energy: 0.7567200357825256
Energy: 0.77666805915292
Energy: 0.7333429913946556
Energy: 0.7504970599363482
Energy: 0.6363227441675499
Energy: 0.7707503162363359
Energy: 0.7449708881722515
Energy: 0.640426145317334
Energy: 0.6390796485181084
Energy: 0.7458472079003605
Energy: 0.6528864590755697
Energy: 0.6461955284641189
Energy: 0.7522098252434548
Energy: 0.7849995672477896
Energy: 0.744390474570502
Energy: 0.6960699308884636
Energy: 0.7540141227649435
Energy: 0.7452842621046729
Energy: 0.6222893262495998
Energy: 0.7123217861239889
Energy: 0.7354756488921605
Energy: 0.6226057100167437
Energy: 0.7538850020012059
Energy: 0.6158965533971781
Energy: 0.6202287102059726
Energy: 0.7254419077086487
Energy: 0.6747778786705719
Energy: 0.6201702194432013
Energy: 0.7216980422911153
Energy: 0.6161997729671435
Energy: 0.9040701101530783
Energy: 0.7517631816002162
Energy: 0.7229027131216431
Energy: 0.7902854206068478
Energy: 0.7314833323935115
Energy: 0.7223301102520681
Energy: 0.7309671949403186
Energy: 0.6199804266487127
Energy: 0.6154911583912838
Energy: 0.7322242385675926
Energy: 0.6173188902329361
Energy: 0.6762884506954072
Energy: 0.7385839977476635
Energy: 0.7220249878278592
Energy: 0.7189657235169346
Energy: 0.7344309099464887
Energy: 0.6766872943955177
Energy: 0.7167992206512359
Energy: 0.6562016425812627
Energy: 0.6931264559214854
Energy: 0.6611909236766998
Energy: 0.6570295626316977
Energy: 0.6977291045586903
Energy: 0.6560549325253611
Energy: 0.6374685941723045
Energy: 0.7618462094129423
Energy: 0.7544629739675478
Energy: 0.6357019305460381
Energy: 0.7802297623245253
Energy: 0.7217890714641546
Energy: 0.9519994948832822
Energy: 0.7922421331920209
Energy: 0.7307661669575523
Energy: 0.9278783883888136
Energy: 0.806977429923221
Energy: 0.7647441076616824
Energy: 0.635410149348621
Energy: 0.6849912965544408
Energy: 0.7292967751893983
Energy: 0.6360896978471593
Energy: 0.6836522816093361
Energy: 0.732151110757917
Energy: 0.7521025673159943
Energy: 0.7835293726241176
Energy: 0.7637810028872178
Energy: 0.7534199984510384
Energy: 0.7119526800481599
Energy: 0.7602334474344405
Energy: 0.8378828542067382
Energy: 0.7022262341922715
Energy: 0.7519626215111591
Energy: 0.7786695260515878
Energy: 0.702481890390511
Energy: 0.7596522746986433
Energy: 0.7245916885856301
Energy: 0.7621595775948217
Energy: 0.741539027173107
Energy: 0.7146172395339759
Energy: 0.7589964520445796
Energy: 0.7617887908613934

minimum gb energy = 0.6154911583912838 eV
minimum distance =  2.34296587038129 Angstroms
sigma value = 33


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

Energy: 1.2096254444036376
Energy: 0.9554173801482267
Energy: 1.016282009264428
Energy: 1.2118632709058947
Energy: 0.9149719072211735
Energy: 0.911006308848527
Energy: 0.7786285916703687
Energy: 0.8113439743082987
Energy: 0.8115144137913163
Energy: 0.8739211864256189
Energy: 0.8764687767860311
Energy: 0.8364391602473227
Energy: 0.9099196421911601
Energy: 0.8549157056953833
Energy: 0.8537487779062038
Energy: 0.9108971879433725
Energy: 0.8553570892294037
Energy: 0.8891147649202659
Energy: 0.7671822334400076
Energy: 0.8737447957594203
Energy: 0.8700107400116363
Energy: 0.768548538923333
Energy: 0.7531033169832266
Energy: 0.852393218506
Energy: 0.7477654725797648
Energy: 0.8402548722388423
Energy: 0.8397200231298305
Energy: 0.7374971638167068
Energy: 0.9260359631033603
Energy: 0.8392072817473402
Energy: 1.120371306030618
Energy: 0.9193132634724275
Energy: 0.8679860602684218
Energy: 1.1219290981316128
Energy: 0.9204705933920538
Energy: 0.8215226829385964
Energy: 0.7486776990380857
Energy: 0.8666268034429507
Energy: 0.8450952595440951
Energy: 0.7485181980657103
Energy: 0.8670501046041967
Energy: 0.7716886899782721
Energy: 0.7707179716078348
Energy: 0.8307833420364604
Energy: 0.8284945566844454
Energy: 0.7716743339032464
Energy: 0.8264088465769064
Energy: 0.769080637108596
Energy: 0.8263962313333781
Energy: 0.8657649924243526
Energy: 0.8392980048096302
Energy: 0.8148873164569206
Energy: 0.6959216186722315
Energy: 0.8295585875815409
Energy: 0.8071068687086098
Energy: 0.7015794839445126
Energy: 0.6971303112000301
Energy: 0.8081249685834158
Energy: 0.6982445300335787
Energy: 0.7674766823621023
Energy: 0.9688828957082448
Energy: 0.7758673220028165
Energy: 0.8217638074642674
Energy: 0.7984488946882955
Energy: 0.7542379675944739
Energy: 0.8087905972015059
Energy: 0.6988282690483927
Energy: 0.8112747937178262
Energy: 0.8268335145278718
Energy: 0.6988149113433584
Energy: 0.9057881933980431
Energy: 0.6991728869059135
Energy: 0.6966629128233555
Energy: 0.8255758014756149
Energy: 0.8560924017436213
Energy: 0.69692617566218
Energy: 0.88220497906203
Energy: 0.7134812454708435
Energy: 1.0341026375255513
Energy: 0.8706511156843634
Energy: 0.8539725627524747
Energy: 0.8393298074238786
Energy: 0.8521918511682729
Energy: 0.8144806690094246
Energy: 0.7508139221429927
Energy: 0.7791430450502653
Energy: 0.7759222690833699
Energy: 0.751096030100657
Energy: 0.7498318993466311
Energy: 0.7892728791782805
Energy: 0.7973139394945187
Energy: 0.8664970123246455
Energy: 0.8536199079755729
Energy: 0.8552579804799706
Energy: 0.7134973628028074
Energy: 0.8504360217416097
Energy: 0.9095845412672353
Energy: 0.8296999843124193
Energy: 0.8303268363359729
Energy: 0.9086745269854818
Energy: 0.8300739952212777
Energy: 0.8673197492186986
Energy: 0.8740472827523494
Energy: 0.8314071217343872
Energy: 0.8119905807655948
Energy: 0.8741110653487494
Energy: 0.8310287844211777
Energy: 0.8242523094903583
Energy: 1.2107056966413827
Energy: 0.8823491866914932
Energy: 0.8848328821723395
Energy: 1.2119542689396188
Energy: 0.8816419736773617
Energy: 0.8278476498034734
Energy: 0.7786671088079358
Energy: 0.8114764300419052
Energy: 0.8115648041958633
Energy: 0.7815976912423486
Energy: 0.8759153113736544
Energy: 0.8119889836285286
Energy: 0.896103356082283
Energy: 0.8545521073287035
Energy: 0.8537485108124901
Energy: 0.896963271168968
Energy: 0.8339037581171042
Energy: 0.8525688979508782
Energy: 0.88590751724958
Energy: 0.8542329505752779
Energy: 0.8539969829148363
Energy: 0.8413598313318582
Energy: 0.8552725014116952
Energy: 0.8528405221868205
Energy: 0.7479274484584991
Energy: 0.8115055879632949
Energy: 0.83994609284173
Energy: 0.7489869830098744
Energy: 0.9251449855755808
Energy: 0.8396018558271177
Energy: 1.119994001797023
Energy: 0.9181796746333507
Energy: 0.8705331344828452
Energy: 1.120817132016123
Energy: 0.9218365632842709
Energy: 0.8212354828487816
Energy: 0.7486724799827887
Energy: 0.8605102251247156
Energy: 0.8460230878189801
Energy: 0.7487857447862099
Energy: 0.8644914682489189
Energy: 0.8641675235873288
Energy: 0.769071602433515
Energy: 0.8063814719909398
Energy: 0.8054967706548343
Energy: 0.7701383556266875
Energy: 0.8057761118278995
Energy: 0.8096882836722564
Energy: 0.8447277577615413
Energy: 0.8247526015095772
Energy: 0.827406936578014
Energy: 0.8455458199225968
Energy: 0.6989157089577265
Energy: 0.8252844084485399
Energy: 0.8062518344097601
Energy: 0.6970212660306863
Energy: 0.7145897999798835
Energy: 0.8069119555060993
Energy: 0.6993187616077163
Energy: 0.7669832028867123
Energy: 0.9725809465475245
Energy: 0.7545430648646902
Energy: 0.8093811359833488
Energy: 0.968864976056377
Energy: 0.7569517221382681
Energy: 0.8086647308411804
Energy: 0.6985732793910028
Energy: 0.812454283886915
Energy: 0.8270730390243782
Energy: 0.6984429584391262
Energy: 0.9034472331450922
Energy: 0.698610106236476
Energy: 0.696522439815928
Energy: 0.8177855402535292
Energy: 0.7137064083478832
Energy: 0.6964714850736915
Energy: 0.8300115847295668
Energy: 0.7139489208782249
Energy: 0.8284366792952799
Energy: 0.8665051648143945
Energy: 0.8268517741380824
Energy: 0.7782572048731877
Energy: 0.8530922852285076
Energy: 0.8148270215555723
Energy: 0.8473658146656935
Energy: 0.7702620453753353
Energy: 0.7672386438771376
Energy: 0.8311603332580466
Energy: 0.7691295204451363
Energy: 0.7909382120905188
Energy: 0.8332721100547503
Energy: 0.7136117174778415
Energy: 0.850417356975893
Energy: 0.8345298545969274
Energy: 0.7134263032308036
Energy: 0.8505225474514716
Energy: 0.9077773660975471
Energy: 0.8353560411239738
Energy: 0.8298709365837174
Energy: 0.9074904048676585
Energy: 0.9245285666128552
Energy: 0.8276568864480124
Energy: 0.8751127833275976
Energy: 0.8298522572982028
Energy: 0.8359383162293186
Energy: 0.8737460272122008
Energy: 0.8296294451501891
Energy: 0.8402035983322259
Energy: 1.2126691461076957
Energy: 0.8823120275430724
Energy: 0.8973098632970095
Energy: 1.0365598129512443
Energy: 0.8814442518435711
Energy: 0.8285287559300228

minimum gb energy = 0.6959216186722315 eV
minimum distance =  2.35987971264864 Angstroms
sigma value = 41


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

Energy: 1.120925571881878
Energy: 1.1045475098810873
Energy: 1.1080811412734826
Energy: 1.12297259774918
Energy: 1.337439355372095
Energy: 1.111148990177295
Energy: 0.8906215774378912
Energy: 0.9510599262482314
Energy: 0.9518899640553463
Energy: 0.9885910988033518
Energy: 0.9759541263247811
Energy: 0.9785839042381894
Energy: 0.9667854018940826
Energy: 0.9880435036264404
Energy: 0.9879031992975892
Energy: 0.9673773080089957
Energy: 0.9654984145850365
Energy: 0.9405530512719871
Energy: 0.9828563660789407
Energy: 0.965312331049651
Energy: 0.9654661428079535
Energy: 0.9464918500482291
Energy: 0.9152162509594293
Energy: 0.8304930933747404
Energy: 0.8417878085456263
Energy: 0.9769747945768542
Energy: 0.9793531902883781
Energy: 0.841664269470263
Energy: 1.03139764266429
Energy: 0.9755507811638194
Energy: 1.040035633718399
Energy: 1.0256584409425085
Energy: 1.0257248277088302
Energy: 1.0410885015624576
Energy: 1.0172604764579936
Energy: 1.0276966287918239
Energy: 0.8413080017755006
Energy: 0.9409051372056777
Energy: 0.9794986905729052
Energy: 0.8405679509836674
Energy: 0.9486880168547372
Energy: 0.8413870887055176
Energy: 0.8218676930454631
Energy: 0.9452559193523794
Energy: 0.8733448415604876
Energy: 0.8229864476801902
Energy: 0.9426584610368276
Energy: 0.8220371520557093
Energy: 0.9475103939387646
Energy: 0.8795916540682952
Energy: 0.9425227102629972
Energy: 0.9436914945839513
Energy: 0.8651764420504627
Energy: 0.9420587357894474
Energy: 0.9038427055664884
Energy: 0.8333042712146969
Energy: 0.8587762434399488
Energy: 0.9044309444175649
Energy: 0.8298893382294555
Energy: 0.9174442979139446
Energy: 0.9354825013854169
Energy: 0.8571436225808083
Energy: 0.9856513331098724
Energy: 0.9369102912275381
Energy: 0.788438954129493
Energy: 0.8690542530647418
Energy: 1.0195988142986323
Energy: 0.9467443444486173
Energy: 0.9513464189350505
Energy: 1.0207365685586598
Energy: 1.0426757478880124
Energy: 0.9085557090071695
Energy: 0.9780910691113024
Energy: 0.9163120315145289
Energy: 0.9618125065245731
Energy: 0.9790309731995303
Energy: 0.9177788849104722
Energy: 0.9096872780740671
Energy: 1.1253914567487604
Energy: 0.9893098965945561
Energy: 1.1004299421791799
Energy: 1.1253341150442038
Energy: 0.9765387346593375
Energy: 1.096137961044584

minimum gb energy = 0.788438954129493 eV
minimum distance =  2.32079547541467 Angstroms
sigma value = 11


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

Energy: 1.384995278356421
Energy: 1.3235753499224083
Energy: 1.2238772898732233
Energy: 1.3865160925647153
Energy: 1.2797024212643233
Energy: 1.1432928881921545
Energy: 1.0798523177584578
Energy: 0.9445853790350827
Energy: 0.9448050798812044
Energy: 1.136809510988735
Energy: 0.9588714542871982
Energy: 0.9936231995268789
Energy: 1.1679159717057837
Energy: 1.102003720371205
Energy: 1.1021991393424042
Energy: 1.1692053790657388
Energy: 1.0436207833539162
Energy: 1.1034124426774443
Energy: 1.10787048944261
Energy: 1.0490554083570898
Energy: 1.0282236518915686
Energy: 1.0775150986038948
Energy: 0.9471588343687056
Energy: 1.0573170086050019
Energy: 0.9655893555974879
Energy: 0.9582311673860575
Energy: 0.9891606177834328
Energy: 0.9658134161073275
Energy: 0.9592065571115923
Energy: 0.9960742208798006
Energy: 1.079012270057254
Energy: 0.9618461277378544
Energy: 1.0187221979994059
Energy: 1.06058761011092
Energy: 0.9361960927573246
Energy: 1.0164366315890736
Energy: 0.9480168540812951
Energy: 1.0129912377932215
Energy: 1.0186024965355043
Energy: 0.9482548390110078
Energy: 1.0351393822614794
Energy: 1.018963819876486
Energy: 0.9575063597681625
Energy: 1.019102770131391
Energy: 0.9889634619319448
Energy: 0.9577357138135889
Energy: 0.966145144631863
Energy: 0.9811958299073699
Energy: 1.0418292105820341
Energy: 1.0846512625660245
Energy: 1.0913722318010919
Energy: 0.9742680420554388
Energy: 1.0734931546827207
Energy: 1.1322461026432684
Energy: 0.9190219048331079
Energy: 1.0942898818043343
Energy: 1.0914175977569087
Energy: 1.0271351881099948
Energy: 1.1396380441648997
Energy: 1.132057271073421
Energy: 0.9845482834260226
Energy: 0.9893405844329894
Energy: 1.0107674764118895
Energy: 0.9859238959945423
Energy: 0.9605485353227006
Energy: 0.9691389503842536
Energy: 0.9973593407974379
Energy: 1.2079194013638426
Energy: 1.207797252556905
Energy: 1.0320566693439315
Energy: 1.0960310560338409
Energy: 1.207768849509559
Energy: 0.9379663490680085
Energy: 0.9990783824465662
Energy: 1.0084814520939311
Energy: 0.9381300864494843
Energy: 1.120095717582792
Energy: 1.0032711150869964
Energy: 1.1828508776379187
Energy: 1.1063911330017462
Energy: 1.086185623628052
Energy: 1.0931055506897815
Energy: 1.0992433441311207
Energy: 1.093073962331404
Energy: 0.9258507034119013
Energy: 1.0458216574580688
Energy: 1.0598494830768224
Energy: 0.9259502416603133
Energy: 1.0420013673338906
Energy: 1.0581264081961466
Energy: 0.9369141216185781
Energy: 1.004520039667164
Energy: 1.0128386760447499
Energy: 0.9073872777250455
Energy: 0.9875516913414594
Energy: 0.9769213181847728
Energy: 0.9198433890564527
Energy: 1.0140082922805154
Energy: 1.0230668238878562
Energy: 0.920091083359871
Energy: 0.9943591245966333
Energy: 1.017469532323671
Energy: 1.1195472114165033
Energy: 0.9997518025542153
Energy: 1.0379320116402206
Energy: 1.1213330574127807
Energy: 1.0015526710674154
Energy: 1.0099292739675523
Energy: 0.9594300103719798
Energy: 1.0046779090713926
Energy: 0.9968074921414856
Energy: 0.9589759177853658
Energy: 1.034680645330956
Energy: 1.0118357996985
Energy: 1.071539950951743
Energy: 1.1305728270757227
Energy: 1.1305460803717835
Energy: 1.0701587122274616
Energy: 1.0852429462909325
Energy: 1.0649694872383053
Energy: 1.0195950771753792
Energy: 1.0898462046341804
Energy: 1.0157374434119193
Energy: 1.0109194219104323
Energy: 0.9254713313459185
Energy: 0.9930207270032363
Energy: 0.9561628753845388
Energy: 1.0077389075017797
Energy: 0.9908735273809494
Energy: 0.9237392986988565
Energy: 1.0207788655210082
Energy: 0.9928965433023264
Energy: 1.3157142438147644
Energy: 1.1048286376312468
Energy: 1.1026921732317643
Energy: 1.084432099097588
Energy: 1.107582812570046
Energy: 1.1027696278566632
Energy: 1.0269162695119676
Energy: 0.9536298722825438
Energy: 0.9965970659918221
Energy: 1.0361512261992938
Energy: 0.934182396858212
Energy: 0.9856545281542113
Energy: 1.0120373004464598
Energy: 1.0497196133557136
Energy: 1.0321187021173674
Energy: 1.0131593124677298
Energy: 1.0647005460320698
Energy: 1.0142664635089942
Energy: 1.0377775995823253
Energy: 1.0098037828548219
Energy: 1.017203166733919
Energy: 0.9916960173520605
Energy: 0.911839522374509
Energy: 1.0108309932012882
Energy: 1.0663254970473062
Energy: 0.9111372263584722
Energy: 0.932645548887812
Energy: 1.0351132692636058
Energy: 0.9079011364263275
Energy: 1.008917149746351
Energy: 1.01754352883103
Energy: 0.9947955700513993
Energy: 1.0448246422867042
Energy: 0.9858615720626522
Energy: 0.9288842061383595
Energy: 1.0492842959060058
Energy: 1.1020505722768439
Energy: 1.0724787313465778
Energy: 1.062761573616796
Energy: 1.1016845156390294
Energy: 1.0951664287975307
Energy: 1.0651353569015596
Energy: 1.1241754250089595
Energy: 0.9267280958936882
Energy: 0.9928287320246107
Energy: 1.13749850871222
Energy: 0.9258780210002931
Energy: 1.0062222767381033
Energy: 1.3877387596006971
Energy: 1.0304099326753018
Energy: 1.063258868816483
Energy: 1.2464215310634692
Energy: 1.102227979966283
Energy: 1.063068109923643

minimum gb energy = 0.9073872777250455 eV
minimum distance =  2.30590396050802 Angstroms
sigma value = 57


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

Energy: 1.2473273396251858
Energy: 1.0784655019717142
Energy: 1.0765203509149444
Energy: 1.2498611824629302
Energy: 1.4580861738555286
Energy: 1.0787283466344786
Energy: 0.896939998387648
Energy: 1.0556745322786916
Energy: 1.0584207793100044
Energy: 1.0323655925347919
Energy: 1.104672312198551
Energy: 1.034257852632401
Energy: 0.9992208189614016
Energy: 1.0097263496274855
Energy: 1.0114651030055068
Energy: 0.999576192407075
Energy: 1.088564107711914
Energy: 0.9950463333985254
Energy: 1.0005118573859648
Energy: 1.0281202064236654
Energy: 0.9799424458696064
Energy: 1.0011090684508446
Energy: 1.0091085192418234
Energy: 0.9799554838141277
Energy: 0.9221379711178156
Energy: 1.052804757139673
Energy: 1.051734326844275
Energy: 0.9225389994699069
Energy: 1.0503732170674067
Energy: 1.053651271713461
Energy: 1.0945699375147118
Energy: 1.0472267688081567
Energy: 1.044185044759588
Energy: 1.0124898625061851
Energy: 1.0629442257053539
Energy: 1.0437109201523445
Energy: 0.9882501308618125
Energy: 0.9308894051205616
Energy: 1.0066251866014202
Energy: 0.9894477937837504
Energy: 0.9331761819695866
Energy: 1.0363829242747662
Energy: 1.0317584659584942
Energy: 0.9815769716236984
Energy: 1.026189295562584
Energy: 1.0330436396271871
Energy: 0.9936845297492103
Energy: 1.0221139600070712
Energy: 1.1071349400508856
Energy: 0.9925537650465669
Energy: 1.0751975354579717
Energy: 1.0723852920836554
Energy: 0.9935031014990949
Energy: 1.0722429511769123
Energy: 1.1072232079319728
Energy: 0.9923813711010054
Energy: 1.0740372695661449
Energy: 1.0161461465992114
Energy: 1.0006946741172456
Energy: 1.072340464496685
Energy: 1.0323327721801114
Energy: 1.0154713186766808
Energy: 1.0265106003421876
Energy: 1.033361612926809
Energy: 0.9958939737542841
Energy: 0.9689029525228745
Energy: 0.9946711739440663
Energy: 1.0940662938117873
Energy: 1.0407224515185591
Energy: 0.9956083996670526
Energy: 1.0903779742626694
Energy: 0.9924941605962058
Energy: 0.9932855421286917
Energy: 1.0129108264122821
Energy: 1.0121380433878386
Energy: 0.9945333069947669
Energy: 1.1061924033494788
Energy: 1.0112590574817544
Energy: 1.093415071222503
Energy: 1.0649545049797353
Energy: 1.0598477615986757
Energy: 1.094132120209423
Energy: 1.0070501771884666
Energy: 1.0618230700034714
Energy: 1.005271080006334
Energy: 1.0015736336229832
Energy: 1.052357536839199
Energy: 1.005701034125268
Energy: 0.9319389346419537
Energy: 1.0545797737402327
Energy: 0.9890771745347221
Energy: 0.9317788361721359
Energy: 1.0059614532143617
Energy: 0.9893970439793733
Energy: 0.9930305491649369
Energy: 0.9894945001883415
Energy: 0.8967755045883127
Energy: 1.0339332031021198
Energy: 1.0331787651515685
Energy: 0.8972158669164199
Energy: 0.9974438620576417
Energy: 1.0125515947874795

minimum gb energy = 0.8967755045883127 eV
minimum distance =  2.36229609688368 Angstroms
sigma value = 9


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

Energy: 1.4765065125582877
Energy: 1.0212471748972403
Energy: 1.309955448603694
Energy: 1.321167059647796
Energy: 1.138080133446302
Energy: 1.3135184933404536
Energy: 1.068564615332176
Energy: 1.0558758499842622
Energy: 1.0491847232238678
Energy: 1.1520965467037816
Energy: 1.0682542907350432
Energy: 1.0086570084292894
Energy: 1.1163764300540189
Energy: 1.0525740435933726
Energy: 1.0442461528075273
Energy: 1.1169107820695794
Energy: 1.087691521270029
Energy: 1.042941574377464
Energy: 1.0394204946144445
Energy: 1.0328586427816222
Energy: 1.0316649979099684
Energy: 1.0415531179895434
Energy: 1.0368693526012662
Energy: 1.0399670680251019
Energy: 1.0270575243747935
Energy: 0.9914014030521745
Energy: 0.9939103757836477
Energy: 1.0284689497664399
Energy: 0.9918812578124739
Energy: 0.9975316257880642
Energy: 0.9876062272482867
Energy: 1.0099438217295251
Energy: 0.9902176725759027
Energy: 0.9888781759107155
Energy: 1.0477773602273404
Energy: 0.9945756049129866
Energy: 1.1499850887389704
Energy: 1.0795927607394966
Energy: 1.292702947081563
Energy: 1.1510073259405957
Energy: 1.134679495633608
Energy: 1.2923895219852517
Energy: 1.0632099600967013
Energy: 0.9915725005813237
Energy: 0.9912749155086585
Energy: 1.0511938799665985
Energy: 1.0340235126061683
Energy: 0.9916771341295417
Energy: 1.1547280273769363
Energy: 1.026710426859558
Energy: 1.0019252422011833
Energy: 1.0444203122240794
Energy: 1.0533527668465072
Energy: 1.0540312567548973
Energy: 1.1518031061006306
Energy: 1.0024032279963198
Energy: 1.0017535800312651
Energy: 1.1030053075255708
Energy: 1.012983836324807
Energy: 1.008985064542833
Energy: 1.0351342347554786
Energy: 1.0058909992326588
Energy: 1.002571326953249
Energy: 1.0120650041600021
Energy: 1.0145145803079454
Energy: 0.9804207979402356
Energy: 1.010851068369009
Energy: 1.0071735256267815
Energy: 1.0045761881729875
Energy: 1.0100846214431327
Energy: 0.9931978253906317
Energy: 0.9991989989874122
Energy: 1.1378043952290195
Energy: 1.047923182987991
Energy: 1.0395366772446482
Energy: 1.0667044409185547
Energy: 1.0466409067912035
Energy: 1.0662622094324261
Energy: 1.185024330391205
Energy: 1.0553773076806636
Energy: 1.0487877655338946
Energy: 1.1792020055852268
Energy: 1.077549895505475
Energy: 1.0496124759710463
Energy: 1.0362590722399059
Energy: 1.0089392455114115
Energy: 0.993238662750219
Energy: 1.036854277040062
Energy: 1.011863941765759
Energy: 1.0243610409623165
Energy: 1.0051183132279293
Energy: 1.2258741840573495
Energy: 1.0582787333062087
Energy: 1.0059765533920575
Energy: 1.189222948673861
Energy: 0.9988257601706366
Energy: 1.0361530658927962
Energy: 1.022062938823458
Energy: 1.0318162492901284
Energy: 1.036649369312966
Energy: 1.1464019377213652
Energy: 1.0310769748435524
Energy: 1.06857984265318
Energy: 1.041690857782111
Energy: 1.0411598247163754
Energy: 1.0699659919403466
Energy: 1.0380019889416165
Energy: 1.0423977687239936
Energy: 1.0489801350694852
Energy: 1.0584957802980004
Energy: 1.054425839582776
Energy: 1.0502194225909895
Energy: 1.0285311307364688
Energy: 1.0833165229171855
Energy: 1.0747862014027791
Energy: 1.047123649205878
Energy: 1.0556703348491259
Energy: 1.071409627955513
Energy: 1.0479398299390692
Energy: 1.0518026009793067
Energy: 1.035212506529863
Energy: 1.0170796993821625
Energy: 1.020257424459073
Energy: 1.0394951195833206
Energy: 1.0153682763014613
Energy: 1.004095413354698

minimum gb energy = 0.9804207979402356 eV
minimum distance =  2.32571000726585 Angstroms
sigma value = 27


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

Energy: 1.2799225536122707
Energy: 1.2137724025773673
Energy: 1.125794366648446
Energy: 1.1907061489126753
Energy: 1.3343012227700635
Energy: 1.1998910752100578
Energy: 1.0739115015757947
Energy: 1.068102937056443
Energy: 1.060794282131732
Energy: 1.1492681074465863
Energy: 1.0825575366151206
Energy: 1.1550328789984332
Energy: 1.2051911684799124
Energy: 1.1183328607376841
Energy: 1.1142486024462779
Energy: 1.0771400615557558
Energy: 0.9700043388359053
Energy: 1.1120345388343296
Energy: 1.206593093618201
Energy: 1.0369478660828884
Energy: 1.0829732342006524
Energy: 1.1854411950982402
Energy: 1.1247102278577188
Energy: 1.0810248447886899
Energy: 0.9802921765154384
Energy: 1.1748229260781082
Energy: 1.1650827569094893
Energy: 0.9721971615813179
Energy: 1.1840940871726409
Energy: 1.1624961059449606
Energy: 1.132825675141859
Energy: 1.023888766381816
Energy: 1.0247712411839316
Energy: 1.0199881023208028
Energy: 1.116169992472189
Energy: 1.0705640086514354
Energy: 1.1759124316733836
Energy: 1.0952862146536655
Energy: 1.0903353637803601
Energy: 1.1225428541733877
Energy: 1.1376735974328593
Energy: 1.0876652031188827
Energy: 1.0964689316901703
Energy: 1.1426300083948735
Energy: 1.1011844910356743
Energy: 1.0775626277670507
Energy: 1.0628710321051327
Energy: 1.0912769761989387
Energy: 1.1508921593032575
Energy: 1.058449092328583
Energy: 1.0485592903581933
Energy: 1.0264466604721936
Energy: 1.1659208919406794
Energy: 1.0640209940015903
Energy: 1.1473266602970351
Energy: 1.0358291790062635
Energy: 1.0165305569614145
Energy: 1.0230733325068
Energy: 1.040873820195237
Energy: 1.038592889973849
Energy: 1.222182363210326
Energy: 1.1298367601625698
Energy: 1.2519300865273049
Energy: 1.0423477926056124
Energy: 0.9705622525308709
Energy: 1.2306197999151158
Energy: 1.0485604512826856
Energy: 0.9874318858591651
Energy: 0.9897861332526865
Energy: 1.0492397623469543
Energy: 0.9915380442160957
Energy: 0.9891456163468056
Energy: 1.077276275396008
Energy: 1.034122968501909
Energy: 1.0504618843571032
Energy: 1.0781628645791772
Energy: 1.0487456678667106
Energy: 1.0387057392094554
Energy: 1.0749155009252507
Energy: 1.062210441122008
Energy: 1.088074028486318
Energy: 1.0845604226228889
Energy: 1.069797902475408
Energy: 1.0864258037039463
Energy: 1.0304388985196498
Energy: 0.9901698706754307
Energy: 1.0013536706924244
Energy: 1.0313916769042266
Energy: 0.9915932321049842
Energy: 0.998561161599037
Energy: 1.086368470371972
Energy: 1.0462083166974758
Energy: 1.057772574250211
Energy: 1.0556482195138859
Energy: 1.054345181932708
Energy: 1.084965156184364
Energy: 0.9937540882614544
Energy: 1.07500438813676
Energy: 1.0772151555210823
Energy: 0.9803254975338438
Energy: 1.1033741982848573
Energy: 1.0766656058728004
Energy: 1.0650576242496168
Energy: 1.086136631936109
Energy: 1.0250748961023852
Energy: 1.028657038445284
Energy: 1.093176996039292
Energy: 1.0280743299299986
Energy: 1.1724468486071111
Energy: 1.0010410620810635
Energy: 1.006292228355237
Energy: 1.16797637804789
Energy: 1.1342291818394958
Energy: 1.0057046850269087
Energy: 1.1184823306715648
Energy: 1.1002937092226583
Energy: 1.031631939297314
Energy: 0.9883405921840805
Energy: 1.1346118682071373
Energy: 1.0163026660078969
Energy: 1.2234297561651877
Energy: 1.108739871040177
Energy: 1.1264513348412546
Energy: 1.1109672250739386
Energy: 1.1112290410368388
Energy: 1.0899494632422608
Energy: 0.9796454573212658
Energy: 1.0431715178012053
Energy: 1.189662336908616
Energy: 0.9666525676926889
Energy: 1.2166705701238048
Energy: 1.0276673697240812
Energy: 1.2550310566644087
Energy: 1.1488538103622556
Energy: 1.1100042365774134
Energy: 1.2131615652778767
Energy: 1.1185736738840026
Energy: 1.173301990840277
Energy: 1.1860524554805425
Energy: 1.070100009938176
Energy: 1.0476285533820582
Energy: 1.0589860206376227
Energy: 1.052103453454329
Energy: 1.1229728216459138
Energy: 1.0960121484298084
Energy: 1.1621439291901194
Energy: 1.0910698414224733
Energy: 1.1565525683372153
Energy: 1.1113898459609186
Energy: 1.0525274473392123

minimum gb energy = 0.9666525676926889 eV
minimum distance =  2.29465451289347 Angstroms
sigma value = 19


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

Energy: 1.4164510411013174
Energy: 1.1467710353843046
Energy: 1.44624950254694
Energy: 1.3144816538549278
Energy: 0.9805062327484095
Energy: 0.9462088147643172
Energy: 1.0416144939934278
Energy: 1.0489173865892294
Energy: 1.0428436396662266
Energy: 1.1197190083635615
Energy: 1.0389541194329248
Energy: 0.9865061113676946
Energy: 1.0518269124121833
Energy: 1.0421020728556156
Energy: 1.0340642666377224
Energy: 1.0480092817727522
Energy: 1.0467984629044758
Energy: 1.0257623199310961
Energy: 1.0176793708132932
Energy: 0.9850532554016137
Energy: 0.9862584781604358
Energy: 1.0179128299629134
Energy: 0.9913911213802268
Energy: 0.9851527116625711
Energy: 0.9286674759004439
Energy: 1.031348786964739
Energy: 1.0217858211183182
Energy: 0.9298871218294787
Energy: 1.0283600460039948
Energy: 1.0218726173129526
Energy: 1.0360815379753796
Energy: 1.0005883165584701
Energy: 0.9871238061263855
Energy: 1.0364736467598816
Energy: 1.1195246009760946
Energy: 0.9868636056381777
Energy: 1.0085133237704385
Energy: 1.141589764945475
Energy: 1.1897122163053686
Energy: 1.0046099941094977
Energy: 1.1395771144856555
Energy: 1.1414776908732958
Energy: 1.0631417903101128
Energy: 0.976719779960508
Energy: 0.9857683529320709
Energy: 1.0636194000763697
Energy: 1.029845288286107
Energy: 1.008586099922334
Energy: 0.9177647516371721
Energy: 0.9718143656958318
Energy: 0.9402733387100278
Energy: 0.9179511480633452
Energy: 0.9843754616162311
Energy: 0.9567857301341801
Energy: 0.9397144277178152
Energy: 0.9685543008735344
Energy: 0.9637840538830178
Energy: 0.9688849683201749
Energy: 1.026608297943106
Energy: 0.963744927575442
Energy: 1.176633229535048
Energy: 1.111376735726833
Energy: 1.0971484942774303
Energy: 1.1780577742940332
Energy: 1.1204252490653455
Energy: 1.0944210170363815
Energy: 1.033890825553798
Energy: 0.9763309378552225
Energy: 0.9828676523716093
Energy: 1.0338869369152954
Energy: 1.00076435392408
Energy: 0.9779294999620183
Energy: 1.2870228122177327
Energy: 0.9795587880572993
Energy: 0.9601465717776286
Energy: 1.0421302051740031
Energy: 0.9786394113063865
Energy: 0.9672241336781625
Energy: 0.9967825708280345
Energy: 0.9766435841669608
Energy: 0.9776909197598317
Energy: 1.0044622019169467
Energy: 0.9899535381399928
Energy: 0.9821769588186225
Energy: 0.9585919898881416
Energy: 0.9407481852587087
Energy: 0.9463808909242597
Energy: 0.9584016703587592
Energy: 0.9023577310857898
Energy: 0.9444985686571135
Energy: 0.9805562373283065
Energy: 0.9522335447723802
Energy: 0.9494263387066784
Energy: 1.033223113076129
Energy: 0.930936965484941
Energy: 0.9498657049421089
Energy: 1.1576267354562484
Energy: 0.9572744562422288
Energy: 0.9550326630645397
Energy: 1.158616810987797
Energy: 0.9570852311903134
Energy: 0.9545533524032537
Energy: 0.9712024817903577
Energy: 0.9856866248860966
Energy: 0.9745869198867131
Energy: 0.9718240421244407
Energy: 1.0247539155076115
Energy: 0.9757891857994667
Energy: 1.006831860229018
Energy: 1.0673000738551734
Energy: 0.9757508424303019
Energy: 1.0084036337858853
Energy: 1.0630824385584567
Energy: 0.9749783641359089
Energy: 0.9564216942285447
Energy: 0.9783640395264275
Energy: 0.9838385696905395
Energy: 0.9574737899098036
Energy: 0.9570946411272385
Energy: 0.9737069715655868
Energy: 0.9016125446131384
Energy: 0.9569010730397652
Energy: 0.9409308993777168
Energy: 0.9018775022140729
Energy: 0.9588961609878418
Energy: 0.9389927838432025
Energy: 0.9396072757331517
Energy: 0.9605165535966261
Energy: 0.9592432648764696
Energy: 0.9393722924294309
Energy: 1.008949661929663
Energy: 0.9588055926927955
Energy: 0.9812672798967308
Energy: 0.99333272337093
Energy: 0.983836500920068
Energy: 0.9818058621663093
Energy: 0.9969618301540338
Energy: 0.9683565171910745
Energy: 1.0241755798720145
Energy: 0.9895360288334318
Energy: 0.9619918639584223
Energy: 1.0117743928607223
Energy: 0.9297841145830756
Energy: 0.9881823594155766
Energy: 0.9778301187428647
Energy: 1.0025360264981036
Energy: 0.9785581638002842
Energy: 0.9629729337703917
Energy: 1.0239132920471874
Energy: 0.9727410739390034
Energy: 1.0435173731437626
Energy: 0.9937635303569352
Energy: 0.9685861944845602
Energy: 1.026589677817653
Energy: 0.9910412348603226
Energy: 0.9687829658819567
Energy: 0.9922864624434116
Energy: 0.9458897356423965
Energy: 0.9460759453124975
Energy: 0.9913687679058982
Energy: 0.9388589765665944
Energy: 0.9475318755916529
Energy: 0.9905744499417596
Energy: 0.959226822003769
Energy: 0.9735332453345115
Energy: 0.9710680389450536
Energy: 0.9518531288505184
Energy: 0.97211056805591
Energy: 0.9693998437937241
Energy: 0.9853980019291435
Energy: 1.015508076237436
Energy: 0.9521779173137338
Energy: 1.0122128586742696
Energy: 0.964873850212571

minimum gb energy = 0.9016125446131384 eV
minimum distance =  2.34202108979179 Angstroms
sigma value = 101


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

Energy: 1.291806873259339
Energy: 1.478843155928928
Energy: 1.4996454104916177
Energy: 1.2931066084142828
Energy: 1.6728739644295239
Energy: 1.198240498733127
Energy: 1.0271771976898512
Energy: 0.9767926409734419
Energy: 0.9742926578139043
Energy: 1.1369712833862788
Energy: 0.9818810992075607
Energy: 0.9388019772779626
Energy: 1.038836834145678
Energy: 1.0719165869232117
Energy: 0.9233708064324
Energy: 1.0398387879086737
Energy: 1.0728879586145892
Energy: 0.9224850616237819
Energy: 0.9800157984126691
Energy: 0.943609238602048
Energy: 0.940793895078546
Energy: 0.981073606926603
Energy: 0.9666474742120499
Energy: 0.9399941106257352
Energy: 0.8840273775157155
Energy: 1.0195651870359637
Energy: 1.0511331059891613
Energy: 0.8857124697617822
Energy: 1.0407462463477553
Energy: 0.918130365208641
Energy: 1.032703841001377
Energy: 0.939685585001265
Energy: 0.9390594297210882
Energy: 1.0333396136600057
Energy: 1.0874099342783672
Energy: 0.9422959780084876
Energy: 0.9957648833536542
Energy: 1.3620136908544922
Energy: 0.9467365019688262
Energy: 0.9952394068609218
Energy: 1.3643460687727538
Energy: 1.207713011670818
Energy: 1.0528776632809875
Energy: 0.9425352154107078
Energy: 0.9412622942242928
Energy: 1.0530608331626712
Energy: 0.9626225892450797
Energy: 0.9780643446421199
Energy: 0.8728372715544277
Energy: 0.9392270172521507
Energy: 0.9160648221670762
Energy: 0.8740165779518074
Energy: 0.9739050387374025
Energy: 0.9148433702236842
Energy: 0.9177809215790168
Energy: 0.9372309747980508
Energy: 0.9363657755168269
Energy: 0.9505210399443416
Energy: 0.9944460578459071
Energy: 0.9360796458148566
Energy: 1.323823005676173
Energy: 1.2215483469771156
Energy: 1.1843371334390915
Energy: 1.3241271063984612
Energy: 1.2248306834613425
Energy: 1.1820118795898191
Energy: 0.9897507499348543
Energy: 0.9449672452697842
Energy: 0.9416761021997719
Energy: 0.9899165067778044
Energy: 0.9514098402283071
Energy: 0.9408587036653521
Energy: 1.0837635630482154
Energy: 1.0217890318639735
Energy: 0.9430509612057871
Energy: 1.0840543144944288
Energy: 1.0357803133766885
Energy: 0.9442041443555776
Energy: 0.8945663522980113
Energy: 0.9287354668683369
Energy: 0.9291435549368886
Energy: 0.9197764661091197
Energy: 0.9704046786531709
Energy: 0.9419656540686182
Energy: 0.9738345579306439
Energy: 0.8885329890736274
Energy: 0.9129178914145853
Energy: 0.974921278985925
Energy: 0.8874552590588475
Energy: 0.9140885712584232
Energy: 0.9719011761613988
Energy: 0.9326870341037463
Energy: 0.9354719234469291
Energy: 0.9719481754080432
Energy: 0.8716105706615713
Energy: 0.9355038108326216
Energy: 1.290313119467384
Energy: 1.0110626070356232
Energy: 0.9325949684741753
Energy: 1.284126195320715
Energy: 0.9917504148568712
Energy: 1.1897053460916538
Energy: 0.9773918223538774
Energy: 0.9896850483953699
Energy: 0.9660108824610527
Energy: 0.9782578137899571
Energy: 1.008049787760482
Energy: 0.9415154606210229
Energy: 1.0364586599317063
Energy: 1.0960745498639182
Energy: 1.0837027866943743
Energy: 1.0414324291444852
Energy: 1.0973156146337204
Energy: 0.9305605184097478
Energy: 1.1108639791181516
Energy: 0.9413037714725335
Energy: 0.9307783405935555
Energy: 1.0995329032195527
Energy: 1.0957086041798267
Energy: 0.9456241842391058
Energy: 0.8873342704323025
Energy: 0.95238273667574
Energy: 1.0641805954636299
Energy: 0.8889569622065493
Energy: 0.9935976520238685
Energy: 0.9194992906815459
Energy: 0.9747877300627175
Energy: 0.9418298503157754
Energy: 0.9403410377799233
Energy: 0.9421690428223084
Energy: 1.0251760750752659
Energy: 0.9432377680671838
Energy: 0.9551701728183831
Energy: 1.1001520153643918
Energy: 0.9373021820392328
Energy: 0.9558494653546225
Energy: 1.101246595657625
Energy: 0.9410930188929332
Energy: 1.0232267275555444
Energy: 0.9535905738919115
Energy: 0.9536349412130078
Energy: 1.0100425819073935
Energy: 0.9316690677384161
Energy: 0.9680521026150363
Energy: 0.870405090823331
Energy: 0.937876133779697
Energy: 0.930457924730916
Energy: 0.8707697815500625
Energy: 0.9743611706094178
Energy: 0.9293855821711369
Energy: 0.918962519186089
Energy: 0.9449557537843564
Energy: 0.9332356980916793
Energy: 0.8733045097160066
Energy: 1.0230842426759554
Energy: 0.9324799483686621
Energy: 1.1352634757186264
Energy: 1.217626949200351
Energy: 0.9278415310378699
Energy: 1.073138725824091
Energy: 1.2265206193871303
Energy: 0.9286454758502739
Energy: 1.0260510904029072
Energy: 0.9056551848374351
Energy: 0.9364118139953927
Energy: 1.01667476187915
Energy: 0.8890101609078175
Energy: 0.9420434645106692
Energy: 0.8948358999154169
Energy: 0.976482186664673
Energy: 0.929126604031512
Energy: 1.0599187939573087
Energy: 0.9757468153773583
Energy: 0.9287898756875265
Energy: 1.0831608065011549
Energy: 0.9707340447062798
Energy: 0.930754249957072
Energy: 1.0838219577996298
Energy: 0.9704651801681111
Energy: 0.9279905162232555
Energy: 0.9798468924998436
Energy: 0.9036779688841414
Energy: 0.9406013121232601
Energy: 0.9808271239839778
Energy: 0.8868341817651383
Energy: 0.9408047439273255
Energy: 0.9732852834035829
Energy: 0.9137909184301025
Energy: 0.9293616825240508
Energy: 0.9458967550447149
Energy: 0.871677177229104
Energy: 0.9349012803903557
Energy: 1.2809698032239132
Energy: 0.984975533902966
Energy: 0.9180490647480309
Energy: 1.2257715279738974
Energy: 0.98401614811266
Energy: 0.917148871600208

minimum gb energy = 0.870405090823331 eV
minimum distance =  2.32190504359445 Angstroms
sigma value = 33


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

Energy: 0.015463000206697912
Energy: 0.016172920051577493
Energy: 0.01607030395998059
Energy: 0.017167508499733107
Energy: 0.7213066994801558
Energy: 0.015969660109755767
Energy: 0.01621273970337162
Energy: 0.11151451413241147
Energy: 0.11005207855274896
Energy: 0.11139830660305462
Energy: 0.11192645851426071
Energy: 0.10987155746350259
Energy: 1.1095339832635722
Energy: 0.7216081403600545
Energy: 0.7201368197276262
Energy: 0.7224777177319199
Energy: 0.7225096381557229
Energy: 0.720295270701508
Energy: 0.49483244089160655
Energy: 0.11151451413241147
Energy: 0.1100520785523297
Energy: 0.1113983066026107
Energy: 0.11192645851384145
Energy: 0.10987155746436579

minimum gb energy = 0.015463000206697912 eV
minimum distance =  2.52121300983791 Angstroms
sigma value = 1