Model name: model_name=EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000
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=3.639087408781052
cohesive_energy=3.2833744154333835
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=[1.6525650891392998e-19, 2.0798976409597799e-19, 2.4851361769973997e-19, 2.83413831318162e-19, 3.1394971578556796e-19, 3.3924007395325803e-19, 3.60683606022714e-19, 3.8026060231356e-19, 3.9913904959198197e-19, 4.17573693942786e-19, 4.35237691332636e-19, 4.51512601580808e-19, 4.65839265042036e-19, 4.77964537808148e-19, 4.88035820129472e-19, 4.96532162819574e-19, 5.03874938333196e-19, 5.1016187944501195e-19, 5.1534812520927e-19, 5.19412847329728e-19, 5.224121219885759e-19, 5.2444848849039e-19, 5.256292926696479e-19, 5.260138150618079e-19, 5.25630894846282e-19, 5.24353960068984e-19, 5.21713572976152e-19, 5.1724029581402395e-19, 5.105624236035119e-19, 5.01306649188894e-19, 4.89117289357422e-19, 4.73717167551414e-19, 4.54998937936392e-19, 4.3300425710483994e-19, 4.07683457581104e-19, 3.7877698675047594e-19, 3.45722480614422e-19, 3.0754100924956794e-19, 2.62777796272242e-19, 2.0922664445742599e-19, 1.4343870838277158e-19, 6.110493399113579e-20, -4.4746390122669e-20, -1.89358052019192e-19, -4.0485401364545996e-19, -7.605612590429699e-19, -1.415377258065306e-18, -2.74755668788026e-18, -5.5916445179590196e-18, -1.1628261552478859e-17, -2.5767326151631798e-17, -6.40369172313558e-17, -1.9111243543342197e-16]
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: 0.012495484566335544
Energy: 0.5611201784684295
Energy: 0.012938157218238381
Energy: 0.01269468864864458
Energy: 0.5605730064502621
Energy: 0.012906522137733755
Energy: 0.5611201784681544
Energy: 0.10652746104168084
Energy: 0.10646503403719439
Energy: 0.1064305888070107
Energy: 0.10653305342079653
Energy: 0.10655232151086115
Energy: 0.012938157218238381
Energy: 0.10646503403719439
Energy: 0.10761585998863853
Energy: 0.01300044872206357
Energy: 0.10649251851256522
Energy: 0.10705454231976294
Energy: 0.01269468864864458
Energy: 0.10643058880732016
Energy: 0.01300044872113516
Energy: 0.012730327429639584
Energy: 0.10659588707825393
Energy: 0.012807564556757089
Energy: 0.5605730064511562
Energy: 0.10653305342017758
Energy: 0.10649251851345924
Energy: 0.10659588707825393
Energy: 0.1063757427964231
Energy: 0.10655510416310306
Energy: 0.012906522137733755
Energy: 0.10655232151870109
Energy: 0.10705454231976294
Energy: 0.012807564556447618
Energy: 0.10655510416279358
Energy: 0.012681406398599205

minimum gb energy = 0.012495484566335544 eV
minimum distance =  2.57046022804112 Angstroms
sigma value = 1


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

Energy: 1.311059809923614
Energy: 0.9091576349875965
Energy: 0.9028499290049753
Energy: 0.8769210290636955
Energy: 0.9091167643798928
Energy: 0.9030321803048489
Energy: 1.280588620994116
Energy: 0.8366718724248204
Energy: 0.8356050348516773
Energy: 0.8260874937765675
Energy: 0.8233928460272244
Energy: 0.8366724723181308
Energy: 1.325197445935156
Energy: 0.8663675342410069
Energy: 0.854519385583992
Energy: 0.8492698782888471
Energy: 0.8711579962911022
Energy: 0.8381678399559336
Energy: 1.325559138487686
Energy: 0.8494348421538453
Energy: 0.8483568366577505
Energy: 0.8451487501006317
Energy: 0.8708103777955862
Energy: 0.8472108168751395
Energy: 1.3414414242479458
Energy: 0.8373908986936682
Energy: 0.836198104958633
Energy: 0.8357779970741205
Energy: 0.854175385014947
Energy: 0.8359370267609099
Energy: 1.2096913625812413
Energy: 0.8536044088491861
Energy: 0.8509199675615119
Energy: 0.8476871265307088
Energy: 0.8540569716422747
Energy: 0.8510803330826833
Energy: 1.2101750905073936
Energy: 0.8467244902008704
Energy: 0.8475388092226525
Energy: 0.8477544633060926
Energy: 0.8463496324669739
Energy: 0.8524956887322236
Energy: 1.2485293525551513
Energy: 0.8492929955985431
Energy: 0.8491453283007238
Energy: 0.8549352266509228
Energy: 0.8484534986663178
Energy: 0.8528215156628495
Energy: 0.9343973657150505
Energy: 0.8484452359157204
Energy: 0.8476358659332706
Energy: 0.8536897772129636
Energy: 0.8492893804327936
Energy: 0.858488486119122
Energy: 0.9335457995399465
Energy: 0.8384878408486861
Energy: 0.8373489469740478
Energy: 0.8536739249354734
Energy: 0.8360283170993695
Energy: 0.837504493658531
Energy: 0.99143786811261
Energy: 0.8242514420416731
Energy: 0.8257879168719144
Energy: 0.9028282153515803
Energy: 0.8224342675706002
Energy: 0.8544785007591058
Energy: 0.8857567193340063
Energy: 0.8362172039701895
Energy: 0.8476846815106952
Energy: 0.8478892596432561
Energy: 0.8500365733840392
Energy: 0.847117130155849
Energy: 0.8847304456355889
Energy: 0.8352525154791529
Energy: 0.8356183669765633
Energy: 0.8495644264179256
Energy: 0.8356195779066032
Energy: 0.8353186079414748
Energy: 0.8931518030767895
Energy: 0.8438400907685587
Energy: 0.8439634385029449
Energy: 0.8731316480893164
Energy: 0.8437489824637608
Energy: 0.8489819412983676
Energy: 0.8930839205548388
Energy: 0.8361916901652137
Energy: 0.8353859786841115
Energy: 0.8704223572794817
Energy: 0.8377103487087889
Energy: 0.8375533131414026
Energy: 0.8932775746830149
Energy: 0.8498821442431329
Energy: 0.8605162347056872
Energy: 0.8710025470899764
Energy: 0.8496727217213949
Energy: 0.8611235609547195
Energy: 1.1054530996743657
Energy: 0.8507839986184714
Energy: 0.8476910198547876
Energy: 0.860483825602061
Energy: 0.8496163143276609
Energy: 0.853040644404567
Energy: 1.0476539103871754
Energy: 0.8506116730930253
Energy: 0.8501689260821934
Energy: 0.8503590078691602
Energy: 0.851888074817248
Energy: 0.8499422994761016
Energy: 1.047149388719018
Energy: 0.8505853595435324
Energy: 0.8500150467126593
Energy: 0.8494275131034839
Energy: 0.8500378804326179
Energy: 0.8495170318372514
Energy: 1.3270168799006732
Energy: 0.8503822310838847
Energy: 0.8508632720121769
Energy: 0.8490791537182383
Energy: 0.8504032529668083
Energy: 0.8498218425275506
Energy: 1.3146326736373972
Energy: 0.8530551519601163
Energy: 0.8397130387598187
Energy: 0.8241181065675697
Energy: 0.8632727204288523
Energy: 0.8397189455713893
Energy: 1.2849873850277502
Energy: 0.8718871279760934
Energy: 0.859250011102834
Energy: 0.8489854203265236
Energy: 0.8698722494380473
Energy: 0.8515967899913746
Energy: 1.3122673948039358
Energy: 0.8361743869504896
Energy: 0.83553043011088
Energy: 0.8224632993252972
Energy: 0.8319249651434151
Energy: 0.8364685376493015

minimum gb energy = 0.8224342675706002 eV
minimum distance =  2.36852921356103 Angstroms
sigma value = 33


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

Energy: 1.5066525559695034
Energy: 0.9558451468433062
Energy: 0.9018040753028033
Energy: 0.9029523396996436
Energy: 0.9250380386302611
Energy: 0.9294833798787498
Energy: 1.3086037134966657
Energy: 0.8905391118242287
Energy: 0.8722999394428657
Energy: 0.8640351669454068
Energy: 0.8711991639616082
Energy: 0.8708472278609054
Energy: 1.227062484770763
Energy: 0.8905440379515029
Energy: 0.869583247342335
Energy: 0.8961912446669822
Energy: 0.8873968445226332
Energy: 0.921280642773592
Energy: 1.2586975730848464
Energy: 0.9261293264363761
Energy: 0.8874077578164064
Energy: 0.8912958811402115
Energy: 0.9315774903557735
Energy: 0.8914223727336191
Energy: 1.3504167017192887
Energy: 0.9218193948457215
Energy: 0.8850942368505939
Energy: 0.8777061879800644
Energy: 0.9268108625110961
Energy: 0.9223045664181141
Energy: 1.236634609525198
Energy: 0.9355302126417601
Energy: 0.9287379047960165
Energy: 0.9247573343410218
Energy: 0.9371617507642408
Energy: 0.9275081207088807
Energy: 1.237842430683808
Energy: 0.927112736441399
Energy: 0.9283481238219075
Energy: 0.9245936114909129
Energy: 0.9316631453545614
Energy: 0.9270814150278603
Energy: 1.1342779481582597
Energy: 0.8916047006669998
Energy: 0.8943126386921981
Energy: 0.9339616566957526
Energy: 0.8911254640499869
Energy: 0.8919025794805141
Energy: 0.9764377535793741
Energy: 0.8910272977835585
Energy: 0.919745790795605
Energy: 0.9245214270665344
Energy: 0.8912434481837131
Energy: 0.9195989536407937
Energy: 0.9768974301995033
Energy: 0.9211668431943567
Energy: 0.9171002472140162
Energy: 0.924973588205472
Energy: 0.9202441599520216
Energy: 0.9178735681124047
Energy: 1.0413520962835687
Energy: 0.8530593230473211
Energy: 0.853061067708139
Energy: 0.8927152621920182
Energy: 0.854205951073371
Energy: 0.8530871241337055
Energy: 0.9222666145617263
Energy: 0.8638330964138548
Energy: 0.9216753695444158
Energy: 0.9221184283255903
Energy: 0.8637842116319638
Energy: 0.9142473118541083
Energy: 0.9221057598671364
Energy: 0.9063260098138224
Energy: 0.9064024725505953
Energy: 0.9222123623982958
Energy: 0.9064838135509957
Energy: 0.9067756951629699
Energy: 1.062151495553634
Energy: 0.8915925364363371
Energy: 0.8914412270326513
Energy: 0.9268389885080083
Energy: 0.8923748228288371
Energy: 0.8913439722284123
Energy: 0.9772552065100019
Energy: 0.9215969927194223
Energy: 0.9222057062998729
Energy: 0.9222982708929076
Energy: 0.9203130449279691
Energy: 0.9189806256345541
Energy: 0.9787829644679746
Energy: 0.9272419841720275
Energy: 0.9261236855341909
Energy: 0.933402565585393
Energy: 0.927903218492456
Energy: 0.9258745317027846
Energy: 1.2341122957926578
Energy: 0.9242865298255065
Energy: 0.9244299552493446
Energy: 0.9293419291703153
Energy: 0.9277537986805089
Energy: 0.924605871852169
Energy: 1.026431636024829
Energy: 0.9300017015520882
Energy: 0.9259846755866975
Energy: 0.8912870398309196
Energy: 0.9363869505469354
Energy: 0.892155819525565
Energy: 1.026336814317562
Energy: 0.9252363218969691
Energy: 0.9185210901074097
Energy: 0.8910734405931068
Energy: 0.9257727135028165
Energy: 0.918591456978193
Energy: 1.3280119716559202
Energy: 0.9258660076268779
Energy: 0.9215782969462152
Energy: 0.925106878754715
Energy: 0.9230502098792849
Energy: 0.9199062911725181
Energy: 1.455018141245699
Energy: 0.9239179911743436
Energy: 0.8524341075850329
Energy: 0.8519007504914806
Energy: 0.9383796891299828
Energy: 0.8525739492157564
Energy: 1.3301987183429878
Energy: 0.9234532081750765
Energy: 0.9194664812117322
Energy: 0.8633785285268326
Energy: 0.9229915965238296
Energy: 0.9213861991952497
Energy: 1.1916991043496352
Energy: 0.9231058046301411
Energy: 0.9100483125889132
Energy: 0.9191223170260092
Energy: 0.92268915108811
Energy: 0.9211903050917877
Energy: 1.2583343568658514
Energy: 0.9539113998102086
Energy: 0.9542464342626187
Energy: 0.8925908243342148
Energy: 1.0289712476704957
Energy: 0.919689266599968
Energy: 1.1917651204458573
Energy: 0.9309538287193032
Energy: 0.920567317438197
Energy: 0.9204071659362615
Energy: 0.9177361443604571
Energy: 0.9191394421814467
Energy: 1.2359269221183933
Energy: 0.9317081228880405
Energy: 0.9254164021172422
Energy: 0.9227082183293703
Energy: 0.9322118350850571
Energy: 0.9237668663230386
Energy: 1.2368243468195885
Energy: 0.9249719666775815
Energy: 0.9245702278206417
Energy: 0.9230203697722728
Energy: 0.9177837286815025
Energy: 0.924216944582543
Energy: 1.2374232555792977
Energy: 0.8907766327458883
Energy: 0.8914034718244827
Energy: 0.9288424333020822
Energy: 0.8909001896413361
Energy: 0.91762870083608
Energy: 0.9769862788881625
Energy: 0.8908532127874236
Energy: 0.8920597174013035
Energy: 0.9251272678369153
Energy: 0.891006419414846
Energy: 0.9213190611175679
Energy: 0.9768919687584902
Energy: 0.9210758134044047
Energy: 0.9185283032677206
Energy: 0.9242095399566668
Energy: 0.922009059608995
Energy: 0.9075512840462753
Energy: 1.1267018643970725
Energy: 0.8523928219644006
Energy: 0.8523636504928274
Energy: 0.9222038675347448
Energy: 0.8544541191542082
Energy: 0.8523691503011422
Energy: 0.9220887594823626
Energy: 0.8632572125283005
Energy: 0.8660675080132273
Energy: 0.922300254024028
Energy: 0.862949592023305
Energy: 0.9167417088684842
Energy: 0.9225905118511344
Energy: 0.9151328759452871
Energy: 0.9158759405589845
Energy: 0.9227262453058186
Energy: 0.9144543904251847
Energy: 0.9168841349694213
Energy: 0.9226260870315504
Energy: 0.8917332152823942
Energy: 0.8913526985453101
Energy: 0.9227095649280317
Energy: 0.8915807871431775
Energy: 0.8922762381108426
Energy: 0.9764626443439066
Energy: 0.920450205521767
Energy: 0.9206405414218246
Energy: 0.9213113379009925
Energy: 0.9227607814741944
Energy: 0.9219323393791455
Energy: 0.9768099269583095
Energy: 0.9261906092893726
Energy: 0.926631602732348
Energy: 0.940284630066689
Energy: 0.9210942980074378
Energy: 0.9271282549508276
Energy: 0.9766359768860577
Energy: 0.9316169393704538
Energy: 0.8756490330246447
Energy: 0.8677050245504455
Energy: 0.8768960084712645
Energy: 0.9317175000086286
Energy: 1.0264293380601308
Energy: 0.917487230249198
Energy: 0.8785192190407538
Energy: 0.8919274118592787
Energy: 0.9333105440337776
Energy: 0.9268767709069099
Energy: 1.0263022701640026
Energy: 0.8910856204250812
Energy: 0.8811937297873899
Energy: 0.8911162369723673
Energy: 0.8824777284317624
Energy: 0.8922100801828301
Energy: 1.3489172245069783
Energy: 0.8921859907653252
Energy: 0.8726344110145832
Energy: 0.8669812594047511
Energy: 0.88323918758712
Energy: 0.880680149132568
Energy: 0.9331533656405921
Energy: 0.8870086631410992
Energy: 0.8526271441072143
Energy: 0.8628626253795533
Energy: 0.871151163580638
Energy: 0.8763343650361967

minimum gb energy = 0.8519007504914806 eV
minimum distance =  2.3263958147099 Angstroms
sigma value = 51


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

Energy: 1.3619771395099267
Energy: 0.9816535021609352
Energy: 0.9871152147543908
Energy: 0.9075914032466638
Energy: 1.0043057221353013
Energy: 0.9065835442255661
Energy: 1.1389004735057864
Energy: 0.8989706754872413
Energy: 0.8969819307966687
Energy: 0.856674213625209
Energy: 0.8990052422627045
Energy: 0.8954963885256588
Energy: 1.234295925537536
Energy: 0.8990699737044473
Energy: 0.8913831093698088
Energy: 0.8821258020780602
Energy: 0.8994817215441189
Energy: 0.8827730753121207
Energy: 1.2296565852185088
Energy: 0.8991884450430838
Energy: 0.8879615997830961
Energy: 0.876877805076118
Energy: 0.8989606298656134
Energy: 0.8771045090057863
Energy: 1.1383163500333697
Energy: 0.902306698172223
Energy: 0.9025538472463798
Energy: 0.917037361672115
Energy: 0.9021923361631694
Energy: 0.857811354707475
Energy: 1.018687982798819
Energy: 0.9016766542284373
Energy: 0.902369948948542
Energy: 0.9020628840750092
Energy: 0.9017196389074389
Energy: 0.9011138099077234
Energy: 1.0188740911218388
Energy: 0.8560364292441865
Energy: 0.8564920387444047
Energy: 0.9009582166843008
Energy: 0.85601570427338
Energy: 0.9017302005244142
Energy: 1.0174314488676306
Energy: 0.8586607601833781
Energy: 0.8585565477731911
Energy: 0.8983850021751638
Energy: 0.8583522652169898
Energy: 0.8580367886584515
Energy: 0.8986021078940514
Energy: 0.8581111054666649
Energy: 0.8579691869657764
Energy: 0.8984550335780435
Energy: 0.858442503173505
Energy: 0.8819103224178949
Energy: 0.8986127956608649
Energy: 0.8730009066617304
Energy: 0.8811852210736547
Energy: 0.8987271494583602
Energy: 0.87305383352682
Energy: 0.8957736898702627
Energy: 0.8996808252510109
Energy: 0.8865174174518937
Energy: 0.8869836240904115
Energy: 0.899739648146145
Energy: 0.8837737300607287
Energy: 0.8867981737636059
Energy: 0.912134136282446
Energy: 0.8725326646273623
Energy: 0.873408688307111
Energy: 0.8748408810163801
Energy: 0.8663840420058438
Energy: 0.8955687581329314
Energy: 0.911591583343392
Energy: 0.8749219150627026
Energy: 0.8742458585774799
Energy: 0.888892082271486
Energy: 0.8839447842649609
Energy: 0.8893741209468509
Energy: 0.9120853790393783
Energy: 0.8785778183181119
Energy: 0.8791060667725604
Energy: 0.9078595514843297
Energy: 0.8785403662748109
Energy: 0.8792201780235405
Energy: 1.093398529276543
Energy: 0.8914229851098767
Energy: 0.8917631299102147
Energy: 0.8908937242941525
Energy: 0.8925348262315257
Energy: 0.8803922218206168
Energy: 1.0933112004336438
Energy: 0.8914380849774872
Energy: 0.8915083592615002
Energy: 0.8985545277476843
Energy: 0.8915930323719156
Energy: 0.8909964849717471
Energy: 1.139057302350722
Energy: 0.8924473125841406
Energy: 0.8912525554828461
Energy: 0.9012366067351283
Energy: 0.8923131692547908
Energy: 0.871042002742637
Energy: 1.3651255392660355
Energy: 0.8994708115300923
Energy: 0.9080225783507078
Energy: 0.8587152186060386
Energy: 0.8993241180727494
Energy: 0.8105353500834498

minimum gb energy = 0.8105353500834498 eV
minimum distance =  2.3516737127587 Angstroms
sigma value = 19


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

Energy: 1.1407957907410473
Energy: 0.8107693549633346
Energy: 0.833845758552423
Energy: 0.9601721851614753
Energy: 0.8094544899919535
Energy: 0.9593620583344649
Energy: 0.9692366921902249
Energy: 0.809721060392406
Energy: 0.8097399806270661
Energy: 0.8405913492968566
Energy: 0.8099479634527228
Energy: 0.809714557389502
Energy: 0.968575315427546
Energy: 0.8096151577769539
Energy: 0.8096939786129548
Energy: 0.8405218063209196
Energy: 0.8096910174940746
Energy: 0.809693330677829
Energy: 0.9632712855842007
Energy: 0.8094574030395426
Energy: 0.8095597900822725
Energy: 0.8386617739864587
Energy: 0.8095610171346496
Energy: 0.8095511633220931
Energy: 0.9682085566283005
Energy: 0.8094346082194526
Energy: 0.8408675232999905
Energy: 0.8408568352242801
Energy: 0.8094191063736278
Energy: 0.8402739125350216
Energy: 0.9687459934149306
Energy: 0.7853754851215498
Energy: 0.8397455248535816
Energy: 0.8411862690609009
Energy: 0.7852727762402424
Energy: 0.8406895297570649
Energy: 0.9683672000285615
Energy: 0.840573465056508
Energy: 0.8404744183348881
Energy: 0.8409909686381404
Energy: 0.7934350461831531
Energy: 0.8407445519608095
Energy: 0.9224189918428933
Energy: 0.7855346203040157
Energy: 0.7853103653460168
Energy: 0.8094256955835041
Energy: 0.7855072303398701
Energy: 0.7855362045658024
Energy: 0.8099164299671198
Energy: 0.7854768689208224
Energy: 0.7856175324923294
Energy: 0.8098669485799752
Energy: 0.7854278009524606
Energy: 0.78556383038099
Energy: 0.8094810904370047
Energy: 0.8096056911766738
Energy: 0.8096670234230401
Energy: 0.8095835640202291
Energy: 0.8409553169784484
Energy: 0.8098404574273199
Energy: 0.809706292255603
Energy: 0.8803404719557687
Energy: 0.8382622739976695
Energy: 0.8096133587174705
Energy: 0.8807583492121829
Energy: 0.8097011261271376
Energy: 0.9693191076073128
Energy: 0.8404775177041525
Energy: 0.840526649889578
Energy: 0.8096822720752334
Energy: 0.8405115579525823
Energy: 0.8096594568281321
Energy: 0.7852141351813761
Energy: 0.8406581480226795
Energy: 0.8406370224943843
Energy: 0.7852629433302842
Energy: 0.8409426184553757
Energy: 0.8407393126035014
Energy: 0.9709545985256911
Energy: 0.8407482624252007
Energy: 0.8413412612189903
Energy: 0.809843262205845
Energy: 0.8411048338431926
Energy: 0.841105363706974
Energy: 1.1429923170252758
Energy: 0.8096710793981411
Energy: 0.8095431358634984
Energy: 0.7854899484139265
Energy: 0.8097699876464198
Energy: 0.7857299363748858
Energy: 1.143419241574265
Energy: 0.8096300801492938
Energy: 0.785600706940515
Energy: 0.7856020953321412
Energy: 0.8093361522375498
Energy: 0.7854556820334866
Energy: 0.9683668584055862
Energy: 0.8098471857118046
Energy: 0.809796668185425
Energy: 0.8408726142501739
Energy: 0.8095557545423354
Energy: 0.8097493389955251
Energy: 0.96283214518415
Energy: 0.8095317344772427
Energy: 0.8095478759606027
Energy: 0.8388041392502041
Energy: 0.8094852057227886
Energy: 0.8095766121939872
Energy: 0.9627838876636596
Energy: 0.8096753164933952
Energy: 0.8095799551455046
Energy: 0.8580608620019066
Energy: 0.8095436046394515
Energy: 0.8097246739604279
Energy: 0.9697765584205028
Energy: 0.7853569089144566
Energy: 0.8407187696610916
Energy: 0.8408640664692686
Energy: 0.7852895656115851
Energy: 0.8395394506306874
Energy: 0.9672980742587118
Energy: 0.8406157341756727
Energy: 0.8410968138102124
Energy: 0.8422177867421174
Energy: 0.809500314241016
Energy: 0.8410369931963101
Energy: 0.9688552377106234
Energy: 0.8407608461837786
Energy: 0.8404115549499396
Energy: 0.8411313430503223
Energy: 0.8406633337329675
Energy: 0.8404273046121123
Energy: 0.9227341476852028
Energy: 0.7854768596441842
Energy: 0.7855819852768334
Energy: 0.9220211156689635
Energy: 0.78524245910719
Energy: 0.7856918795018788
Energy: 0.8099793641565729
Energy: 0.8097591419683949
Energy: 0.809709062056217
Energy: 0.8095670227987835
Energy: 0.8273225929298659
Energy: 0.8097850361466848
Energy: 0.8097931188193263
Energy: 0.8097856118832085
Energy: 0.8097514901933142
Energy: 0.809740106028574
Energy: 0.8408645951170692
Energy: 0.8097885707482706
Energy: 0.922852502065043
Energy: 0.8384460492304776
Energy: 0.838050070479238
Energy: 0.8094982168852519
Energy: 0.8383519039470112
Energy: 0.8095400074972026
Energy: 0.9693201403646555
Energy: 0.8406702199288306
Energy: 0.8403993842562403
Energy: 0.8093103961932286
Energy: 0.8408636097418172
Energy: 0.8402940036156236
Energy: 0.7852831155543246
Energy: 0.8407880498401985
Energy: 0.8411332661702092
Energy: 0.7853069578211751
Energy: 0.8409369330954566
Energy: 0.8391085219212289
Energy: 0.9227537195902029
Energy: 0.8407311850249628
Energy: 0.8412802773198637
Energy: 0.7934651922480245
Energy: 0.8409723066658866
Energy: 0.8397557542198694
Energy: 1.1434585531340025
Energy: 0.809497070705657
Energy: 0.7855595856150352
Energy: 0.7858856983061064
Energy: 0.8093602921807791
Energy: 0.7854982644823809

minimum gb energy = 0.7852141351813761 eV
minimum distance =  2.39731979880375 Angstroms
sigma value = 27


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

Energy: 0.9691620030851288
Energy: 0.8326148258449921
Energy: 0.9700886656808599
Energy: 0.870016922453769
Energy: 0.8323998862535517
Energy: 0.968075470569015
Energy: 0.9708538432909478
Energy: 0.8327217197852367
Energy: 0.8326701689943908
Energy: 0.8059552467436548
Energy: 0.8327132344299699
Energy: 0.8327345390924281
Energy: 0.8792331245686429
Energy: 0.8327573144853884
Energy: 0.8327373279951922
Energy: 0.8048773055965656
Energy: 0.8327731585790973
Energy: 0.833055376867686
Energy: 0.879289102821436
Energy: 0.8328505475727824
Energy: 0.7921203890332772
Energy: 0.8229554444158889
Energy: 0.8328435766232841
Energy: 0.7919821361909812
Energy: 0.9702023902281525
Energy: 0.7792430317175105
Energy: 0.7907956128138706
Energy: 0.8328640009068614
Energy: 0.7785143195960906
Energy: 0.7926368159955351
Energy: 0.8339895465891616
Energy: 0.8713440952334812
Energy: 0.779538963896027
Energy: 0.8344234143156354
Energy: 0.8711877525536323
Energy: 0.7794514200579796
Energy: 0.8331474387576223
Energy: 0.7924709169429119
Energy: 0.7918386527750932
Energy: 0.832688529948719
Energy: 0.7925614171787478
Energy: 0.792249480715931
Energy: 0.8804101262086477
Energy: 0.7888435349426854
Energy: 0.7864841410525152
Energy: 0.8334790479993471
Energy: 0.7887841743215609
Energy: 0.8305353160848458
Energy: 0.8794608918339182
Energy: 0.7867485527938411
Energy: 0.7918056158504749
Energy: 0.8326848684205759
Energy: 0.7889577641569188
Energy: 0.791799327921378
Energy: 0.8802631978814375
Energy: 0.8194484208374703
Energy: 0.819769440532576
Energy: 0.834839771634556
Energy: 0.8204146949944017
Energy: 0.8211885057704859
Energy: 0.8794207950765607
Energy: 0.8325911191490822
Energy: 0.8332910181201809
Energy: 0.8339826066238447
Energy: 0.8310194924757516
Energy: 0.8363056311869238
Energy: 0.9716364788864684
Energy: 0.8335534482708264
Energy: 0.7919688588967453
Energy: 0.8054928304035407
Energy: 0.8331461989475822
Energy: 0.7918237818088941

minimum gb energy = 0.7785143195960906 eV
minimum distance =  2.3817321208609 Angstroms
sigma value = 9


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

Energy: 1.443156458992504
Energy: 1.0052916298552916
Energy: 0.8260803856136693
Energy: 1.1821692938967459
Energy: 1.0053307250620451
Energy: 0.9801390495492953
Energy: 0.75000221375271
Energy: 0.731237104283694
Energy: 0.731514953184509
Energy: 0.7220604548102281
Energy: 0.7314554909652378
Energy: 0.7189296821860424
Energy: 0.7506719232586501
Energy: 0.7325749103772172
Energy: 0.7321110940797542
Energy: 0.7461187620067156
Energy: 0.7325141381930229
Energy: 0.7438898584505552
Energy: 0.7504820662584858
Energy: 0.700716578212763
Energy: 0.7456581589402498
Energy: 0.7316882788427213
Energy: 0.7282250460856226
Energy: 0.7303024962515645
Energy: 1.0083008588198026
Energy: 0.7128780226499396
Energy: 0.7003429049545231
Energy: 0.755787196600586
Energy: 0.7239007499484311
Energy: 0.7042154761596169
Energy: 0.7556183902422436
Energy: 0.7151658274028257
Energy: 0.6949397540851214
Energy: 0.7556316190538116
Energy: 0.7139177205227789
Energy: 0.7765138125388323
Energy: 0.7554259939511426
Energy: 0.7039385196222183
Energy: 0.7035407246452864
Energy: 0.7564415625770935
Energy: 0.7035582059757608
Energy: 0.7557768614717941
Energy: 0.7557651210745718
Energy: 0.7373068544483702
Energy: 0.704103126489647
Energy: 0.7556518123577955
Energy: 0.7302602816042848
Energy: 0.7722100155293665
Energy: 1.0263094426626043
Energy: 0.7402365835122708
Energy: 0.7531948492553412
Energy: 0.763499734891106
Energy: 0.7406724664986075
Energy: 0.7323918446536211
Energy: 0.6972757328743601
Energy: 0.7308080056661225
Energy: 0.7813477073529834
Energy: 0.7181089703959904
Energy: 0.7406126476272347
Energy: 0.6924470202392308
Energy: 0.6972216535993713
Energy: 0.7554554377986866
Energy: 0.7555170033262594
Energy: 0.7295295668475846
Energy: 0.7556517030103029
Energy: 0.7018141385298441
Energy: 0.8877713776592688
Energy: 0.7554072911355431
Energy: 0.7553415288937614
Energy: 0.7171103609754774
Energy: 0.7555402629646942
Energy: 0.7843649016682568
Energy: 1.2751508796984259
Energy: 0.7633187550822765
Energy: 0.8107091733850199
Energy: 0.7588294084835686
Energy: 0.843154982826362
Energy: 0.7573245497043574
Energy: 0.8875282212167108
Energy: 0.7554089217491601
Energy: 0.7480290710059689
Energy: 0.7181959338855665
Energy: 0.7557838513516278
Energy: 0.7482977679293439
Energy: 0.7312372692592065
Energy: 0.7430769798859282
Energy: 0.7418771758898369
Energy: 0.731714638280346
Energy: 0.7415847100734861
Energy: 0.7468122368025615
Energy: 0.7312675069212446
Energy: 0.7270949091458919
Energy: 0.7260792591154412
Energy: 0.7316195243772932
Energy: 0.7423698190369724
Energy: 0.7320853868455365
Energy: 0.7311680673968067
Energy: 0.701714396417825
Energy: 0.7030430314068281
Energy: 0.7313588864576429
Energy: 0.7149038302622094
Energy: 0.7433746076770308
Energy: 0.8522400949469086
Energy: 0.716552726041511
Energy: 0.703218043198499
Energy: 0.7324379855533591
Energy: 0.725631011853134
Energy: 0.7801199281602248
Energy: 0.7512595995219263
Energy: 0.7231383532772915
Energy: 0.7331554790173964
Energy: 0.7319877731210984
Energy: 0.7223796533959886
Energy: 0.7228067728927876
Energy: 0.7499887482952989
Energy: 0.7228728317943631
Energy: 0.7249794302189055
Energy: 0.7220744075171401
Energy: 0.7216538987258261
Energy: 0.720562303673283
Energy: 0.750483991951418
Energy: 0.746238842770522
Energy: 0.7428313580959975
Energy: 0.744740090048477
Energy: 0.7325929126722824
Energy: 0.7239181738246109
Energy: 0.8090323818788429
Energy: 0.7316561510452203
Energy: 0.7571863130412422
Energy: 0.7236225012307831
Energy: 0.7320172034049546
Energy: 0.693682299135128
Energy: 0.8093167387261656
Energy: 0.7314712676881769
Energy: 0.7322883815726704
Energy: 0.7235570170858149
Energy: 0.7314024457348914
Energy: 0.70298694757406
Energy: 0.7499411942334464
Energy: 0.7325362373762613
Energy: 0.7327791239194195
Energy: 0.7448912458607178
Energy: 0.7321148173272757
Energy: 0.7451802183554143
Energy: 0.9536408506719526
Energy: 0.6990472081163372
Energy: 0.7608599787791623
Energy: 0.7435708359089402
Energy: 0.7317940849713308
Energy: 0.742567905820498
Energy: 0.7502870328474617
Energy: 0.7167387841980044
Energy: 0.7036027054556236
Energy: 0.7560049556317228
Energy: 0.7167652660880824
Energy: 0.7482516536589767
Energy: 0.7002660459903469
Energy: 0.8411920068581374
Energy: 0.7674122522015536
Energy: 0.7002267978129331
Energy: 0.9421466791933806
Energy: 0.7831025798936582
Energy: 0.7554539622725444
Energy: 0.703869965040813
Energy: 0.7044423701941085
Energy: 0.7554046276254509
Energy: 0.7171561535643398
Energy: 0.7406967843489018
Energy: 0.7556236733320701
Energy: 0.7184191001203492
Energy: 0.701493378984072
Energy: 0.7556586454863837
Energy: 0.7291505359651466
Energy: 0.7557307216100412
Energy: 0.9278102714205045
Energy: 0.7367752248508384
Energy: 0.7011851061885855
Energy: 0.7625762868420852
Energy: 0.7301419299505136
Energy: 0.7002984252684805
Energy: 0.6970962094686007
Energy: 0.7737520407841583
Energy: 0.7363266631214005
Energy: 0.7298712224012209
Energy: 0.7561638307079858
Energy: 0.7416728198000004
Energy: 0.7014714115634885
Energy: 0.7556350918538759
Energy: 0.7558338453811598
Energy: 0.7184201190512125
Energy: 0.7555478928347423
Energy: 0.6938235435141277
Energy: 0.8872394920713278
Energy: 0.7557209090775473
Energy: 0.7557281530901439
Energy: 0.749505436694591
Energy: 0.7562649812061427
Energy: 0.7725941601815786
Energy: 0.75467628302094
Energy: 0.7554280022160161
Energy: 0.75549332232293
Energy: 0.7283395046998662
Energy: 0.7552615151299831
Energy: 0.6959051458636032
Energy: 0.7544190037648769
Energy: 0.7556844813710505
Energy: 0.7485989748624088
Energy: 0.7274326593722968
Energy: 0.7556977201174765
Energy: 0.7043028678965672
Energy: 0.7567449918933447
Energy: 0.7406225761829276
Energy: 0.7279558040280714
Energy: 0.7509756113111171
Energy: 0.7403867146953703
Energy: 0.7450248213216807
Energy: 0.7331286609907951
Energy: 0.7439588657803408
Energy: 0.7200415207582235
Energy: 0.7323226035757006
Energy: 0.7399982413183483
Energy: 0.7319046725529451
Energy: 0.7317132294904987
Energy: 0.7217257746557924
Energy: 0.7210635156041257
Energy: 0.7315921725783481
Energy: 0.720997109775436
Energy: 0.7321914240518238
Energy: 0.7312742315789141
Energy: 0.7476747733399554
Energy: 0.8173011799300856
Energy: 0.7319774436009158
Energy: 0.7614615386720514
Energy: 0.7806027538098603
Energy: 0.7498307283439416
Energy: 0.7216678492958475
Energy: 0.7212708028036955
Energy: 0.7315841624819386
Energy: 0.7210882423966155
Energy: 0.7301601152999848
Energy: 0.748097058250202
Energy: 0.7419952053062377
Energy: 0.7199997455852284
Energy: 0.7186805436655069
Energy: 0.7255845482004583
Energy: 0.7245858463034605
Energy: 0.7510229575307347
Energy: 0.7232713448900971
Energy: 0.7264218871541964
Energy: 0.7300733044198072
Energy: 0.7220130618178541
Energy: 0.7256862320210126
Energy: 0.8093288492574516
Energy: 0.7314385323953143
Energy: 0.7297771537546365
Energy: 0.7235410078233547
Energy: 0.7313613312952307
Energy: 0.7028980858438993

minimum gb energy = 0.6924470202392308 eV
minimum distance =  2.3981258405123 Angstroms
sigma value = 57


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

Energy: 0.37193496540526677
Energy: 0.4134352733479324
Energy: 0.37533362888135763
Energy: 0.3748290761479031
Energy: 0.41335653052250165
Energy: 0.42428773080256393
Energy: 0.4504733301537321
Energy: 0.39290418546099826
Energy: 0.43429372451622017
Energy: 0.4127255394259351
Energy: 0.39205765021200084
Energy: 0.4317073276248299
Energy: 0.4535620831159985
Energy: 0.41777395293674735
Energy: 0.43660255690191163
Energy: 0.41436026363171136
Energy: 0.41381161701016583
Energy: 0.4336272423003009
Energy: 0.4537610623351446
Energy: 0.418094432099859
Energy: 0.43831474191050085
Energy: 0.3912222622540355
Energy: 0.41421257139865336
Energy: 0.43336457775932247
Energy: 0.45012281495905443
Energy: 0.4113350490640589
Energy: 0.3750702872610644
Energy: 0.41526047210054895
Energy: 0.3734030385633575
Energy: 0.43312715160905507
Energy: 0.4142098097607128
Energy: 0.37367017025713084
Energy: 0.37672343158199406
Energy: 0.3896400955026379
Energy: 0.3730552663873639
Energy: 0.42940750310450765
Energy: 0.40997596971160755
Energy: 0.39476150755334805
Energy: 0.4362197212079978
Energy: 0.4113609297002021
Energy: 0.39013085767516253
Energy: 0.4340850083780094
Energy: 0.4137206004365435
Energy: 0.39728999123192615
Energy: 0.4367755405874619
Energy: 0.41373034210407333
Energy: 0.39117069456673625
Energy: 0.4335784134896865
Energy: 0.45028705304473887
Energy: 0.3862130583235279
Energy: 0.43585560793811673
Energy: 0.4138366707953498
Energy: 0.4145638560420732
Energy: 0.4363162811969864
Energy: 0.3729925920052943
Energy: 0.4347464522508237
Energy: 0.37516574608945386
Energy: 0.3730061693591801
Energy: 0.4154957515975765
Energy: 0.4269983827435381
Energy: 0.37307506440919475
Energy: 0.41828465368877116
Energy: 0.4200512233021038
Energy: 0.37314846139189217
Energy: 0.38997664135361937
Energy: 0.37656221212299473
Energy: 0.4527788228652085
Energy: 0.3901861672540877
Energy: 0.43189838165070626
Energy: 0.3904777471385293
Energy: 0.4134888547537606
Energy: 0.43160684308382463
Energy: 0.45330318801286085
Energy: 0.3907210546100254
Energy: 0.3906110652762541
Energy: 0.4399938982841294
Energy: 0.4535146085606398
Energy: 0.3901775725971204
Energy: 0.4514995630288189
Energy: 0.3906457242851404
Energy: 0.4331627438734674
Energy: 0.4133297878363682
Energy: 0.41368534427962156
Energy: 0.4321324605383463
Energy: 0.4538112149502415
Energy: 0.3732693929488348
Energy: 0.42184810415862767
Energy: 0.39081419318502914
Energy: 0.3729225769839127
Energy: 0.42593707985196566
Energy: 0.4124918239823665
Energy: 0.41838846909825156
Energy: 0.43209247381617394
Energy: 0.4135455263230768
Energy: 0.37331983303086175
Energy: 0.4329386154411296
Energy: 0.4138804885283184
Energy: 0.4310975112977518
Energy: 0.4333885568659455
Energy: 0.41388283823212385
Energy: 0.3924618376406798
Energy: 0.43668314643361844
Energy: 0.4532160737479256
Energy: 0.39730815341454717
Energy: 0.4345388510992568
Energy: 0.45331745771665083
Energy: 0.3912511168398964
Energy: 0.43402965186026926
Energy: 0.3730703557580805
Energy: 0.39580645775652057
Energy: 0.43675741739245866
Energy: 0.37325971168138933
Energy: 0.39049170540120187
Energy: 0.433685483710338

minimum gb energy = 0.37193496540526677 eV
minimum distance =  2.44692688885918 Angstroms
sigma value = 11


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

Energy: 1.143256948258017
Energy: 0.7229646663974846
Energy: 0.7304386073416016
Energy: 0.9628025770488384
Energy: 0.7229351697222477
Energy: 1.1642207614257924
Energy: 0.6695269932551907
Energy: 0.6283037565508548
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Energy: 0.6125419006982216
Energy: 0.5923065458120564
Energy: 0.6003791453411562
Energy: 0.5929158248881975
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Energy: 0.593250698829288
Energy: 0.5942635615211238
Energy: 0.6085715746967291
Energy: 0.600904597878789
Energy: 0.5927625912976778
Energy: 0.6238625614820847
Energy: 0.5996193142212793
Energy: 0.5938107210895882
Energy: 0.6033283356095471
Energy: 0.6141222456780017
Energy: 0.5929088217327989
Energy: 0.7100723074653884
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Energy: 0.6113717969155817
Energy: 0.6014703023794867
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Energy: 0.8018352622707496
Energy: 0.6722300392384761
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Energy: 0.70114248632552
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Energy: 0.7264964914410659
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Energy: 0.670336718111178
Energy: 0.6700594405064718
Energy: 0.6094737996900069
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Energy: 0.7039371297671054
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Energy: 0.6737184233840527
Energy: 0.6097248490550103
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Energy: 0.59868075149799
Energy: 0.989270290839185
Energy: 0.6563017358494724
Energy: 0.6502474350034062
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Energy: 0.6568978351275828
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Energy: 0.6486515016226655
Energy: 0.6021195609814228
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Energy: 0.7120794630901615
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Energy: 0.677186750789298
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Energy: 0.7987007189521053
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Energy: 0.7519905246674549
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Energy: 0.5803040950872974
Energy: 0.6689898932292151
Energy: 0.7949747454689281
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Energy: 0.7100961544572115
Energy: 0.6641508374091993
Energy: 0.7106138359873815
Energy: 0.7097845026700492
Energy: 0.791643863039614
Energy: 0.909402733126922
Energy: 0.8583019982739356
Energy: 0.707738781907737
Energy: 0.8584692641111018
Energy: 0.6619747944533303
Energy: 1.016021057731356
Energy: 0.7116076683329619
Energy: 0.7103653401563315
Energy: 0.610654741921908
Energy: 0.6783045282713766
Energy: 0.7097796513871495
Energy: 0.8471731923007717
Energy: 0.6577515962406478
Energy: 0.5922106718585798
Energy: 0.8107401736020869
Energy: 0.8396842724790529
Energy: 0.5920993292638095
Energy: 1.0799499687641838
Energy: 0.6544392096000361
Energy: 0.7083550539239354
Energy: 0.6103648268115172
Energy: 0.6530668341500969
Energy: 0.7102607919092659
Energy: 0.9646661945618799
Energy: 0.6012382090798364
Energy: 0.6144038853591708
Energy: 0.600460953396664
Energy: 0.6746646814783134
Energy: 0.6765420151573475
Energy: 0.7263408826600455
Energy: 0.6768904318207114
Energy: 0.6742765892123391
Energy: 0.7155892516441767
Energy: 0.8107998034820476
Energy: 0.6744129244020873
Energy: 1.0140664826270136
Energy: 0.7120869793122375
Energy: 0.6475760798677423
Energy: 0.6240150326461773
Energy: 0.7152815989211989
Energy: 0.6479506347041465
Energy: 0.8383530796051637
Energy: 0.7708425641136717
Energy: 0.7762570851029644
Energy: 0.7263915840631837
Energy: 0.9555935543090667
Energy: 0.7088275432890382
Energy: 0.6796196211899675
Energy: 0.6773070724167352
Energy: 0.6731384992539701
Energy: 0.5935054362135266
Energy: 0.6692682139416073
Energy: 0.6717374846032121
Energy: 0.6679034324992991
Energy: 0.719084272836242
Energy: 0.6680157529115949
Energy: 0.6687982037575592
Energy: 0.5927531128251883
Energy: 0.6684694184212645
Energy: 0.6667611450338526
Energy: 0.6058794304506494
Energy: 0.6375449233854056
Energy: 0.6792443182888963
Energy: 0.5940852614065015
Energy: 0.5929921649141593
Energy: 0.9937909942819877
Energy: 0.609191815166023
Energy: 0.5939544508663274
Energy: 0.5943524860114563
Energy: 0.6223497468032287
Energy: 0.5773745612139858

minimum gb energy = 0.5773745612139858 eV
minimum distance =  2.41093095232209 Angstroms
sigma value = 41


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

Energy: 1.181551195432263
Energy: 0.7986134714690044
Energy: 0.6622136394987851
Energy: 0.9036667959867267
Energy: 0.7980831847133103
Energy: 0.9027320164613711
Energy: 0.6403247200728801
Energy: 0.6703780543669182
Energy: 0.6741218385958484
Energy: 0.6551743651996584
Energy: 0.640846379289017
Energy: 0.6508047135524817
Energy: 0.6421717911822427
Energy: 0.6593099286962404
Energy: 0.6513876253007058
Energy: 0.6422141846329117
Energy: 0.6435341228198355
Energy: 0.6512290407805942
Energy: 0.642785735227025
Energy: 0.6689291722263364
Energy: 0.6514502897709551
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Energy: 0.6596744045216232
Energy: 0.659715344646478
Energy: 0.6402690909664126
Energy: 0.6630173066920353
Energy: 0.6517924093313722
Energy: 0.6534872204064827
Energy: 0.6611910139247082
Energy: 0.7488205809405951
Energy: 0.9133415780872519
Energy: 0.7572920551411784
Energy: 0.7555026205193246
Energy: 0.6404732364713827
Energy: 0.7608765542497505
Energy: 0.769373197927627
Energy: 0.8552350409366225
Energy: 0.660553970556951
Energy: 0.6609880355443136
Energy: 0.6412489887278698
Energy: 0.672198270319049
Energy: 0.6529068768702195
Energy: 0.6598328499062048
Energy: 0.7690076978257131
Energy: 0.7675411514719914
Energy: 0.6857201908763105
Energy: 0.7688712147777308
Energy: 0.6179598377192366
Energy: 0.9123482693742052
Energy: 0.652465405823181
Energy: 0.6513572675425229
Energy: 0.6463429139780393
Energy: 0.660913976097253
Energy: 0.6514973736313876
Energy: 0.8495777793048684
Energy: 0.7718482239888356
Energy: 0.7715274825809053
Energy: 0.8178067691291662
Energy: 0.7602561928624135
Energy: 0.7721032594348616
Energy: 0.850565293469683
Energy: 0.757095731372756
Energy: 0.654607272582316
Energy: 0.8202115976765941
Energy: 0.771559775963203
Energy: 0.6618057736358892
Energy: 1.0367927512728001
Energy: 0.6183800571098279
Energy: 0.6177457412365879
Energy: 0.7777946326680705
Energy: 0.6188487593983528
Energy: 0.6508471000347406
Energy: 0.7599585052581449
Energy: 0.617519391719935
Energy: 0.8920155135431082
Energy: 0.7601472432308849
Energy: 0.6190934906126025
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Energy: 0.7514255162003448
Energy: 0.6624898205506237
Energy: 0.6589558570975431
Energy: 0.6611432513063202
Energy: 0.6416544318546233
Energy: 0.6528053679118823
Energy: 0.7661920326026723
Energy: 0.7719778602485307
Energy: 0.7626047672741347
Energy: 0.7665808275490558
Energy: 0.761439752136234
Energy: 0.7668986394226214
Energy: 0.6401693045538289
Energy: 0.6635410900939427
Energy: 0.6518941894323473
Energy: 0.6742169381031416
Energy: 0.6409507858334242
Energy: 0.6515161925314285
Energy: 1.0395695331247121
Energy: 0.6695541232528681
Energy: 0.6433601634168888
Energy: 0.927410970900735
Energy: 0.6568633590581632
Energy: 0.8937592630015602
Energy: 0.9011214689335448
Energy: 0.6731108506455868
Energy: 0.6611228112369737
Energy: 0.6184580546501749
Energy: 0.6537460249592622
Energy: 0.6189366553598182
Energy: 0.642978954083526
Energy: 0.6563913561618216
Energy: 0.6624366444197295
Energy: 0.6426057422347384
Energy: 0.6435341579904102
Energy: 0.6517194288811127
Energy: 0.6415058658359128
Energy: 0.65999957147098
Energy: 0.6515266210493241
Energy: 0.6416818857180527
Energy: 0.6428497093354573
Energy: 0.651348058128855
Energy: 0.6403473898371835
Energy: 0.6516482262595863
Energy: 0.6513528872280413
Energy: 0.6406906156825162
Energy: 0.660600135757974
Energy: 0.6506403562406887
Energy: 1.11523431959117
Energy: 0.7718260603966913
Energy: 0.7721990887687296
Energy: 0.7982856517390955
Energy: 0.7719021704820627
Energy: 0.7719031895970461
Energy: 0.9123716068837607
Energy: 0.6593826595642945
Energy: 0.6533327689601824
Energy: 0.6426311771480823
Energy: 0.6614317846634177
Energy: 0.6515981915678254
Energy: 0.6595868601855769
Energy: 0.7562587322310312
Energy: 0.7563858879047891
Energy: 0.6857432087854312
Energy: 0.7661821093301481
Energy: 0.6180289816699647
Energy: 0.8552485691959129
Energy: 0.6619679028801588
Energy: 0.6597691546857255
Energy: 0.6545786436964556
Energy: 0.6607287738552767
Energy: 0.6532966475621675
Energy: 0.85018344912685
Energy: 0.7815972190429079
Energy: 0.6617881251734002
Energy: 0.820366781997875
Energy: 0.772006277349673
Energy: 0.6515954483507185
Energy: 0.8495897798193816
Energy: 0.7713475012982807
Energy: 0.7570327554467089
Energy: 0.8180861923277363
Energy: 0.7605308897961855
Energy: 0.7732611438584728
Energy: 1.0355147495956154
Energy: 0.6448497065476155
Energy: 0.6593159500964347
Energy: 0.6566496791375852
Energy: 0.6326085612332092
Energy: 0.6632754927347184
Energy: 0.760941766157195
Energy: 0.8958504939859335
Energy: 0.8902033497388621
Energy: 0.7609360658264136
Energy: 0.9009707064860457
Energy: 0.8900245752100632
Energy: 0.7505209702350193
Energy: 0.6623349277613592
Energy: 0.654713066742621
Energy: 0.7283877806744952
Energy: 0.6600070818477176
Energy: 0.6539222367397137
Energy: 0.7608842459901672
Energy: 0.7569569368633292
Energy: 0.7617112203349522
Energy: 0.7610063979819002
Energy: 0.7627091730161384
Energy: 0.760912861711107
Energy: 0.7609999900872266
Energy: 0.6625580750787099
Energy: 0.6604546203901425
Energy: 0.7721893216414797
Energy: 0.6419740771876268
Energy: 0.6614175536378487
Energy: 1.0396258805659502
Energy: 0.6725337693464327
Energy: 0.6190066299769569
Energy: 0.928012023437746
Energy: 0.6700061102979887
Energy: 0.618855443847848

minimum gb energy = 0.617519391719935 eV
minimum distance =  2.4113486077538 Angstroms
sigma value = 33


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

Energy: 0.7631387306895452
Energy: 0.9335993457107442
Energy: 1.0585975383961614
Energy: 0.6806990785267796
Energy: 0.9337436330287384
Energy: 1.0703381467973156
Energy: 0.6925805018199176
Energy: 0.7067824065267855
Energy: 0.6877744087093376
Energy: 0.7090560460728778
Energy: 0.6930294483138996
Energy: 0.6862900738432383
Energy: 0.6943336704906187
Energy: 0.6871837852877045
Energy: 0.6875163218812725
Energy: 0.6944639646784067
Energy: 0.687233389378697
Energy: 0.6929550656869181
Energy: 0.6945591076079339
Energy: 0.6919066702193921
Energy: 0.6917743636511772
Energy: 0.6948273906451541
Energy: 0.6875820888792382
Energy: 0.6910964181527374
Energy: 0.6940657309106572
Energy: 0.665022400772586
Energy: 0.6651123249809621
Energy: 0.7119731266022361
Energy: 0.7125259774301872
Energy: 0.6652328854981104
Energy: 0.8927779854814887
Energy: 0.8621540485416302
Energy: 0.6645981135556226
Energy: 0.8854022217248506
Energy: 0.9017723033638296
Energy: 0.6644370870211508
Energy: 1.0345990340064977
Energy: 0.6659809594265783
Energy: 0.7100835055114465
Energy: 0.6945747269626354
Energy: 0.7039799750717941
Energy: 0.7088753911780917
Energy: 0.7194752620683954
Energy: 0.6670061389980243
Energy: 0.6693234017037726
Energy: 0.6634724750974649
Energy: 0.6677292457559308
Energy: 0.6687230274883552
Energy: 0.7220859387691648
Energy: 0.6646162347177846
Energy: 0.6654686258730707
Energy: 0.7498829523327059
Energy: 0.6645002890327387
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Energy: 0.9902020851948868
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Energy: 0.7093862785039506
Energy: 0.6673878691048515
Energy: 0.6867916348115444
Energy: 0.9901203713006081
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Energy: 0.7044731188536102
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Energy: 0.8919934651725665
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Energy: 0.6637538864615234
Energy: 0.6948503075883501
Energy: 0.671741149937471
Energy: 0.6630079290195492
Energy: 0.6968106495892955
Energy: 0.6670169868286177
Energy: 0.7017730258034997
Energy: 0.6959641604712136
Energy: 0.6665101899282004
Energy: 0.7039997811280885
Energy: 0.6970076277549558
Energy: 0.7107427459375034
Energy: 0.6891017821643718
Energy: 0.6942827514534314
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Energy: 0.6666904052396653
Energy: 0.6886192245986964
Energy: 0.6883045555911167
Energy: 0.6872566562090688
Energy: 0.6885124078234098
Energy: 0.688758992071745
Energy: 0.6930544535770995
Energy: 0.707404999728377
Energy: 0.6904161736028486
Energy: 0.7299014383920356
Energy: 0.6937542761752439
Energy: 0.7085000586962614
Energy: 0.9851212713317529
Energy: 0.6978260976384932
Energy: 0.8653389278859509
Energy: 0.9021040427803562
Energy: 0.8853673230741108
Energy: 0.8609592484186885
Energy: 0.9867131734349389
Energy: 0.6932171966704419
Energy: 0.665079682664145
Energy: 0.699395433872354
Energy: 0.7119821552041524
Energy: 0.6654142687608484
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Energy: 0.6635992915352965
Energy: 0.6639399985199206
Energy: 0.6661864331153552
Energy: 0.6653438704775901
Energy: 0.6920991511306657
Energy: 0.8601090671531574
Energy: 0.6646970739561456
Energy: 0.6670085737947371
Energy: 0.6659675657861703
Energy: 0.7356537683243384
Energy: 0.6922672822193048
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Energy: 0.6661998859604902
Energy: 0.6659205914745808
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Energy: 0.7299380151760294
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Energy: 0.8666468900475639
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Energy: 0.6673008438210437
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Energy: 0.7074184748344202
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Energy: 0.6850583114525435
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Energy: 0.6665359495322828
Energy: 0.7228060292725045
Energy: 0.889307625123922
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Energy: 1.0616705659343277
Energy: 0.9048510497351753
Energy: 0.6672367009950959
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Energy: 0.7088626540750124
Energy: 0.6871988970090754
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Energy: 0.6654207810879486
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Energy: 0.6651538107806455
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Energy: 0.666550187884143
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Energy: 0.7378678013550533
Energy: 0.6668682935626259
Energy: 0.8701586949321513
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Energy: 0.6670741278714286
Energy: 0.8703402588276465
Energy: 0.8646812601363169
Energy: 0.8725805167595859
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Energy: 0.6948233562994971
Energy: 0.7099282753288542
Energy: 1.2575153909826349
Energy: 0.6894098636272861
Energy: 0.6627944496805195
Energy: 0.6656931297021014
Energy: 0.9026825204666137
Energy: 0.6843041543035987

minimum gb energy = 0.6626149690382763 eV
minimum distance =  2.43121648034524 Angstroms
sigma value = 67


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

Energy: 1.0359100479451249
Energy: 0.7581318614321544
Energy: 0.7366326679518261
Energy: 0.7373356299317405
Energy: 0.7492761542763653
Energy: 0.7365968999641448
Energy: 0.7481620682370882
Energy: 0.7255178008713971
Energy: 0.7250166243353728
Energy: 0.7272500242361246
Energy: 0.725982123504472
Energy: 0.7248065666125055
Energy: 0.7445063453841972
Energy: 0.6962781612186901
Energy: 0.7275440664827518
Energy: 0.7271997898291478
Energy: 0.6974303554196597
Energy: 0.7275952598927489
Energy: 0.7454485093102741
Energy: 0.7262965510140754
Energy: 0.7262692384506185
Energy: 0.7457632544458846
Energy: 0.7260862941846616
Energy: 0.7264004229428906
Energy: 0.7456703407354883
Energy: 0.726924194289377
Energy: 0.7267310470379296
Energy: 0.7457205706947657
Energy: 0.726356131667282
Energy: 0.728550758635375
Energy: 0.748563310421024
Energy: 0.7408022538910012
Energy: 0.7277677650992282
Energy: 0.7484807646483271
Energy: 0.7406011225327953
Energy: 0.7479788082424814
Energy: 0.7823009046240333
Energy: 0.7257153378233522
Energy: 0.7253383242298268
Energy: 0.7824777789352901
Energy: 0.7260451773220502
Energy: 0.7250647269222128

minimum gb energy = 0.6962781612186901 eV
minimum distance =  2.43274798665119 Angstroms
sigma value = 3


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

Energy: 1.346833195299167
Energy: 0.9395835304216841
Energy: 0.8227651781362331
Energy: 0.8801705645976989
Energy: 0.9394846080040918
Energy: 0.8221283827699026
Energy: 0.8508635595461416
Energy: 0.83560849494006
Energy: 0.8387760556611416
Energy: 0.8443107252971028
Energy: 0.961022106953477
Energy: 0.8321772757476468
Energy: 0.9025243363362184
Energy: 0.846568627721388
Energy: 0.845210256169497
Energy: 0.907372344313303
Energy: 0.8539756981170313
Energy: 0.8613391964732178
Energy: 0.855579090515425
Energy: 0.8367319974394251
Energy: 0.8370716957529556
Energy: 0.8565596271551534
Energy: 0.8367911947349804
Energy: 0.8535558882510437
Energy: 0.8144982306400952
Energy: 0.837890706609207
Energy: 0.8375284785735693
Energy: 0.8151582944057244
Energy: 0.8429164562489623
Energy: 0.8078412607637051
Energy: 0.8267732395046142
Energy: 0.8093192986371961
Energy: 0.8390739734693923
Energy: 0.8220432331251099
Energy: 0.8436883530649268
Energy: 0.8072315436755823
Energy: 0.8144718428419081
Energy: 0.8418049929334769
Energy: 0.8387019795332492
Energy: 0.8001486926787899
Energy: 0.867272588351053
Energy: 0.8195313097629224
Energy: 0.9327165398956082
Energy: 0.9359076318809232
Energy: 0.9137937027737174
Energy: 0.8691421635551755
Energy: 0.8400962753361936
Energy: 0.804886025656461
Energy: 0.9197678881474947
Energy: 0.8429891687205611
Energy: 0.8362635107845754
Energy: 0.8866830092947782
Energy: 0.8955288670152731
Energy: 0.8293610629014555
Energy: 1.1258183140507099
Energy: 0.8601740816072794
Energy: 0.8604058737845569
Energy: 0.9530825373333733
Energy: 0.8669806773467552
Energy: 0.8325245430876822
Energy: 0.8811659739034646
Energy: 0.8332383134140512
Energy: 0.823998276967741
Energy: 0.8670948614639176
Energy: 0.8341036845276382
Energy: 0.8480690324141817
Energy: 0.8476478614974421
Energy: 0.8495357518310934
Energy: 0.8510875651887476
Energy: 0.8418600775513192
Energy: 0.8322300140430791
Energy: 0.8445368507022579
Energy: 0.835740775430984
Energy: 0.8329718676251625
Energy: 0.8401788820036069
Energy: 0.8290180244989344
Energy: 0.8156761571374256
Energy: 0.8368531709489607
Energy: 0.8735287851281428
Energy: 0.8229493344780447
Energy: 0.8409595072441189
Energy: 0.8379382458432226
Energy: 0.8149020403015853
Energy: 0.8327756097790212
Energy: 0.8545286960342815
Energy: 0.834762812109077
Energy: 0.8317367321916703
Energy: 0.8191546100665911
Energy: 0.8338434271559767
Energy: 0.8323935172163649
Energy: 0.9138451201291166
Energy: 0.8656555416837414
Energy: 0.8622511161822588
Energy: 0.9139718645823122
Energy: 0.8605280547142297
Energy: 0.8628214216573596
Energy: 0.9165234930906153
Energy: 0.8311703343996603
Energy: 0.8320349187121795
Energy: 0.9171049245784455
Energy: 0.8426775161921064
Energy: 0.8533352484686513
Energy: 0.9755888715515432
Energy: 0.8343395212474984
Energy: 0.82983807110569
Energy: 0.9735289984751103
Energy: 0.8373860576644623
Energy: 0.8407846194850414
Energy: 1.0048122607934584
Energy: 0.890968875459726
Energy: 0.8831294599175143
Energy: 0.8690437321729079
Energy: 0.9062281566783025
Energy: 0.8635752304025986
Energy: 0.8898217343391082
Energy: 0.8165406276343632
Energy: 0.8838434962343308
Energy: 0.8659336277122236
Energy: 0.8158064069147071
Energy: 0.8603002529146145
Energy: 0.8211327190036527
Energy: 0.8293158016731637
Energy: 0.8399529908979135
Energy: 0.8142341538069782
Energy: 0.8319928893823518
Energy: 0.8318750231501258
Energy: 0.8171253484539521
Energy: 0.8400503083449672
Energy: 0.8369173598849408
Energy: 0.8358469230507488
Energy: 0.8397940021805503
Energy: 0.8371782111285091
Energy: 0.8260593743378263
Energy: 0.8423368788411452
Energy: 0.8399011890245284
Energy: 0.8274080525561411
Energy: 0.8387217990788988
Energy: 0.836954915679536
Energy: 0.8249441919989734
Energy: 0.8589788728328146
Energy: 0.8593343655471045
Energy: 0.82509450462489
Energy: 0.8609359230817442
Energy: 0.8234506340361787
Energy: 0.8508508854842656
Energy: 0.8130496463740525
Energy: 0.8261045059941103
Energy: 0.8603299520144175
Energy: 0.812160581880598
Energy: 0.8671502492604867
Energy: 0.9526576822871551
Energy: 0.8674415065780828
Energy: 0.8076933206625709
Energy: 0.8457491224749396
Energy: 0.8752445923444385
Energy: 0.8141215829607615
Energy: 1.0712224138506568
Energy: 0.8673138516668057
Energy: 0.8081887619639225
Energy: 0.8616518921213301
Energy: 0.8671598514615423
Energy: 0.8288036054105021
Energy: 0.8513055779789657
Energy: 0.8136687105183968
Energy: 0.8202692611770587
Energy: 0.8688834666884983
Energy: 0.8116867930826184
Energy: 0.8678245072167088
Energy: 0.8297367083900741
Energy: 0.8463644370146223
Energy: 0.8454491569225494
Energy: 0.8296173469833524
Energy: 0.853465734317796
Energy: 0.8304414601740092
Energy: 0.8432300337347273
Energy: 0.8535683337258675
Energy: 0.8532271331504968
Energy: 0.8442114643329538
Energy: 0.852975489483812
Energy: 0.8542534800163383
Energy: 0.8430517778456202
Energy: 0.8468306863199293
Energy: 0.8581292502927628
Energy: 0.8381279058946803
Energy: 0.8816351919543184
Energy: 0.8490878179054591
Energy: 0.8275871796975175
Energy: 0.826917798502233
Energy: 0.8275823824274531
Energy: 0.807675532393754
Energy: 0.8472901056486936
Energy: 0.8270941979649762
Energy: 0.9321077057034196
Energy: 0.8528369310479229
Energy: 0.863783039929261
Energy: 0.8671956040807407
Energy: 0.8530231789716851
Energy: 0.8313418182505133
Energy: 1.0634623565370984
Energy: 0.904078452628143
Energy: 0.8645961805533127
Energy: 0.8398509762821796
Energy: 0.8612735708306608
Energy: 0.8493126966006723
Energy: 0.9183830051341066
Energy: 0.8183906404432825
Energy: 0.8591526079820855
Energy: 0.8535006015825972
Energy: 0.8076002202885042
Energy: 0.8841382461689313
Energy: 0.8465657193640961
Energy: 0.8603025043793057
Energy: 0.8602936592372161
Energy: 0.8468459723806993
Energy: 0.8672213131871445
Energy: 0.832558151361719
Energy: 0.8495675142714855
Energy: 0.8395981949490863
Energy: 0.8410822531305018
Energy: 0.8502724023185289
Energy: 0.8099388486091443
Energy: 0.8368760496709671
Energy: 0.8364985563823978
Energy: 0.8493497929682808
Energy: 0.8500749352099158
Energy: 0.8340881791680835
Energy: 0.8492641675246184
Energy: 0.8493753572747796
Energy: 0.8324847508992498
Energy: 0.8215022895962848
Energy: 0.8154904251019784
Energy: 0.8522684788670711
Energy: 0.8184572253125957
Energy: 0.8430208508813201
Energy: 0.8541151194741562
Energy: 0.8129434125995171
Energy: 0.8521318804752468
Energy: 0.8191848753543224
Energy: 0.8122262113838778
Energy: 0.8644245506437058
Energy: 0.9130442928775899
Energy: 0.8556506920914964
Energy: 0.8552653823096926
Energy: 0.8375219374149844
Energy: 0.8613825610265792
Energy: 0.8599567041677141
Energy: 0.9578298181997953
Energy: 0.8323247563727069
Energy: 0.8112581252868902
Energy: 0.9417995798062209
Energy: 0.8515769314290618
Energy: 0.8423044375680656
Energy: 1.0404932525661785
Energy: 0.8321275763422937
Energy: 0.8320672352024765
Energy: 0.9404960627574828
Energy: 0.856132892871566
Energy: 0.8508847089849771
Energy: 0.9842758141264579
Energy: 0.872488926635768
Energy: 0.8605801116373918
Energy: 0.9074435149570719
Energy: 0.8759939331404996
Energy: 0.855508895178583
Energy: 1.1772454113733704
Energy: 0.8005878824939942
Energy: 0.8430340623518185
Energy: 0.8817364478691361
Energy: 0.8004633435803354
Energy: 0.794553361271808
Energy: 0.8136490109460095
Energy: 0.8182295946391683
Energy: 0.8203785891715474
Energy: 0.8141101969065677
Energy: 0.8138126633366947
Energy: 0.8288297713896392
Energy: 0.810697346223084
Energy: 0.8299634217363092
Energy: 0.8294254439579692
Energy: 0.8296761847895993
Energy: 0.8272967575942545
Energy: 0.8295228600167316
Energy: 0.8105820596576355
Energy: 0.8297210566612254
Energy: 0.8347071684248227
Energy: 0.81096088183796
Energy: 0.8222522161355597
Energy: 0.8346104530282515
Energy: 0.8397317314871844
Energy: 0.8664990442304741
Energy: 0.8464044341271942
Energy: 0.8405540707296485
Energy: 0.8664877939753509
Energy: 0.8490782657317439
Energy: 1.0159137519261972
Energy: 0.8655530355471888
Energy: 0.8651374732033799
Energy: 0.9656206805781876
Energy: 0.8655534193348555
Energy: 0.8374115540104792
Energy: 0.8376348525930343
Energy: 0.851139405345005
Energy: 0.8518217751401806
Energy: 0.8385733892165161
Energy: 0.948946584097546
Energy: 0.8437190316066085

minimum gb energy = 0.794553361271808 eV
minimum distance =  2.30731271365034 Angstroms
sigma value = 81


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

Energy: 1.4796141273524688
Energy: 0.8976137861558534
Energy: 0.7805916165024164
Energy: 0.7804935884941822
Energy: 0.8162419114753032
Energy: 0.8617838766917303
Energy: 0.9640350960553653
Energy: 0.8277746712765492
Energy: 0.8255431244911913
Energy: 0.8047764078707111
Energy: 0.8112611563094047
Energy: 0.8395532526109314
Energy: 0.9897069240078937
Energy: 0.8510965977981159
Energy: 0.8477315399133503
Energy: 0.8507073102758259
Energy: 0.8506481649643373
Energy: 0.8299306074630947
Energy: 0.9341028397727003
Energy: 0.8501179870624287
Energy: 0.9450643877005146
Energy: 0.9199913629361082
Energy: 0.8492530345426234
Energy: 0.8150690476532578
Energy: 0.9195751878318309
Energy: 0.9131203677237089
Energy: 0.9157727585005218
Energy: 0.9202142660637749
Energy: 0.9152772167145704
Energy: 0.9152753505273792
Energy: 0.9207248591473239
Energy: 0.9149084385106251
Energy: 0.9147296002146459
Energy: 0.9176881615219147
Energy: 0.9126957554578322
Energy: 0.913532768128372
Energy: 0.8965986561971859
Energy: 0.9664224820838924
Energy: 0.9282614292061615
Energy: 0.868288499360705
Energy: 1.0443247748646343
Energy: 0.8652213072812116
Energy: 0.9967876486860943
Energy: 0.9806541251328292
Energy: 0.9804928066975713
Energy: 0.8270704142163388
Energy: 1.0704769073138458
Energy: 0.8262786220316649
Energy: 0.9078377935670362
Energy: 0.8567360795155905
Energy: 0.8518105321671295
Energy: 0.8431967911715108
Energy: 0.9010132955550872
Energy: 0.8512154910681486
Energy: 1.0139269151411525
Energy: 0.7895077394621262
Energy: 0.7894408065860653
Energy: 1.013838398135354
Energy: 0.8291505695183663
Energy: 0.8292450241297056
Energy: 0.8760000057494977
Energy: 0.7894586959256278
Energy: 0.7893644775263973
Energy: 0.8683462608950051
Energy: 0.8294251842883189
Energy: 0.8486628157125927
Energy: 0.8694360805919591
Energy: 0.8605136673509098
Energy: 0.8655349816578605
Energy: 0.8492560697190686
Energy: 0.8553998425711907
Energy: 0.866219537392771
Energy: 0.8697100896691158
Energy: 0.9439944179433476
Energy: 0.9441008081520414
Energy: 0.8508547440101625
Energy: 0.9437156121407403
Energy: 0.848380655318579
Energy: 0.9281613031182223
Energy: 0.9273813600436569
Energy: 0.9263597091316724
Energy: 0.9370758920214698
Energy: 0.9230066701977566
Energy: 0.9262191459413205
Energy: 1.0410550437538308
Energy: 0.949298929181755
Energy: 0.93051746769372
Energy: 0.9327108865149463
Energy: 0.9299837003519239
Energy: 0.9315210092082352
Energy: 1.0417312757127901
Energy: 0.9304536174475178
Energy: 0.9315329823915591
Energy: 0.9790614658428602
Energy: 0.930060357426771
Energy: 0.9301056168745672
Energy: 1.0158173942936004
Energy: 0.8266234431750185
Energy: 0.8257947358282892
Energy: 1.015803027590892
Energy: 0.8267329451135526
Energy: 0.8252313197495227
Energy: 1.073109721536413
Energy: 0.9282575600425447
Energy: 0.9306540002255048
Energy: 1.0386073761057746
Energy: 0.9422700383560129
Energy: 0.9470745605548408
Energy: 0.8406501234534652
Energy: 0.9322485325724439
Energy: 0.829272365531407
Energy: 0.8291183498416123
Energy: 0.947251354527395
Energy: 0.829243389003453
Energy: 0.8392566946290444
Energy: 0.9247719295789242
Energy: 0.8289778803011387
Energy: 0.8306462327307592
Energy: 0.9477939644942004
Energy: 0.8291073607047482
Energy: 0.95162414271127
Energy: 0.931766311376202
Energy: 0.9362438752726211
Energy: 0.918843302000167
Energy: 0.936569869577497
Energy: 0.9444872467623583
Energy: 0.914779754013753
Energy: 0.8480470049832431
Energy: 0.8509189098576065
Energy: 0.9346595553394741
Energy: 0.8489323569487666
Energy: 0.8507733880016796
Energy: 0.9141666287483586
Energy: 0.9332743741370579
Energy: 0.9331811078084212
Energy: 0.9149787894037705
Energy: 0.9353316198400179
Energy: 0.9184022309369296
Energy: 0.9168111122100827
Energy: 0.9278918094681502
Energy: 0.9271877044062841
Energy: 0.9274834125127189
Energy: 0.9493912914310105
Energy: 0.9283780514356726
Energy: 0.91641037147095
Energy: 0.9302400713368537
Energy: 0.9301440839537719
Energy: 0.9291648894620926
Energy: 0.9375225000219783
Energy: 0.9322427981782644
Energy: 0.9979545276825951
Energy: 1.0273583748013755
Energy: 0.964314083845639
Energy: 0.8321570411565494
Energy: 1.0265005024272065
Energy: 0.9660357041094869
Energy: 0.9971159651391309
Energy: 1.0200742011628454
Energy: 0.98284596558867
Energy: 0.8306244612793253
Energy: 0.939653782152991
Energy: 0.9060380302089014
Energy: 0.8751372546306877
Energy: 0.8276034816759832
Energy: 0.8413609140080806
Energy: 0.8486964114833867
Energy: 0.8024357881316957
Energy: 0.8487354521619356
Energy: 0.9147691173154596
Energy: 0.8293681513447159
Energy: 0.8293463111056346
Energy: 0.9145403444074814
Energy: 0.7896888126967242
Energy: 0.789487503416813
Energy: 0.9030998558553864
Energy: 0.8619736849788733
Energy: 0.855280042045782
Energy: 0.8425301621568287
Energy: 0.8549604907054242
Energy: 0.856977940605534
Energy: 0.8699808043212788
Energy: 0.9113830316376954
Energy: 0.8985285473266069
Energy: 0.8510203161604827
Energy: 0.9196969890989452
Energy: 0.850470617433812
Energy: 0.8828494965837833
Energy: 0.9088912559766034
Energy: 0.8677432655759764
Energy: 0.8431138124175301
Energy: 0.9141490372728518
Energy: 0.9291078321771941
Energy: 0.9220524658181486
Energy: 0.9076815941082218
Energy: 0.9117771496303344
Energy: 0.9192363179860892
Energy: 0.9107459675793537
Energy: 0.9117205142424767
Energy: 1.0467061232356638
Energy: 0.9124498355064833
Energy: 0.917068574327442
Energy: 0.9204675067394894
Energy: 0.9166766826711905
Energy: 0.915716378644524
Energy: 1.045897874999007
Energy: 0.822852583213306
Energy: 0.9599523337588867
Energy: 1.046656428325974
Energy: 0.8307923691328262
Energy: 0.866321464093962
Energy: 1.0270063337181023
Energy: 0.8307279282941193
Energy: 0.8322443081294509
Energy: 0.935886930626062
Energy: 0.8306336936050627
Energy: 0.8808112177349542
Energy: 1.0962763142071796
Energy: 0.7511051385838518
Energy: 0.7509008070686604
Energy: 0.8717087352636618
Energy: 0.7511308502830624
Energy: 0.8265343643030901
Energy: 0.8599244211636424
Energy: 0.8823706037509494
Energy: 0.7797881619843999
Energy: 0.789186729111814
Energy: 0.8645688146178001
Energy: 0.8698086025819532

minimum gb energy = 0.7509008070686604 eV
minimum distance =  2.26928937667257 Angstroms
sigma value = 43


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

Energy: 1.3850779227035122
Energy: 1.0020081700383299
Energy: 0.833041970515063
Energy: 0.9280964425066366
Energy: 1.0017702907055854
Energy: 0.9281156819044807
Energy: 0.8254415916944671
Energy: 0.8235397967684298
Energy: 0.822329615696436
Energy: 0.8232638490253044
Energy: 0.813791654959372
Energy: 0.7945939441577903
Energy: 0.7721759036472843
Energy: 0.8319405146197904
Energy: 0.8396031035598605
Energy: 0.9189564469894224
Energy: 0.8533010422641033
Energy: 0.8647013079888701
Energy: 0.7859622353565557
Energy: 0.8521111690480547
Energy: 0.8259074496947322
Energy: 0.7860216797785137
Energy: 0.8522639773005953
Energy: 0.8260366693665118
Energy: 0.7857928515009541
Energy: 0.801843344927669
Energy: 0.8019587229865028
Energy: 0.7859196300792066
Energy: 0.8015757567819072
Energy: 0.8008532200673342
Energy: 0.7855921101135004
Energy: 0.8018477841762073
Energy: 0.802522137983399
Energy: 0.801370625674359
Energy: 0.8040126855592029
Energy: 0.8026695521608579
Energy: 0.7763566692511431
Energy: 0.7860826126045058
Energy: 0.7861378730148451
Energy: 0.8167795759893696
Energy: 0.7861021696523909
Energy: 0.790466516913756
Energy: 0.8529273028513363
Energy: 0.8259091518251938
Energy: 0.839161003493262
Energy: 0.8308831506807403
Energy: 0.8256824802769559
Energy: 0.826190897162023
Energy: 0.7764162533481946
Energy: 0.8259869677991645
Energy: 0.8254092637342147
Energy: 0.7825076880631422
Energy: 0.7868456035038163
Energy: 0.8391108757626019
Energy: 0.7767839380671082
Energy: 0.8865961878863862
Energy: 0.8830649693085391
Energy: 0.8644667127666978
Energy: 0.8706187407019652
Energy: 0.8835192201619323
Energy: 0.7936574814805412
Energy: 0.8469915437812111
Energy: 0.8245572626118529
Energy: 0.8059047728569098
Energy: 0.8273671469357482
Energy: 0.8193849607270367
Energy: 0.780799355427463
Energy: 0.8589935141407307
Energy: 0.8588438778634256
Energy: 0.7989569089909696
Energy: 0.8229357567380557
Energy: 0.8701215954545556
Energy: 0.7810694924928198
Energy: 0.837305587679394
Energy: 0.8832239070322204
Energy: 0.8666282577917346
Energy: 0.8367186839597575
Energy: 0.8837817067682974
Energy: 0.7940329149663731
Energy: 0.8299384006497528
Energy: 0.8198532041424037
Energy: 0.8118186164570919
Energy: 0.7862716773857573
Energy: 0.8199316126572321
Energy: 0.793323385960805
Energy: 0.8144806077698202
Energy: 0.8385041301487268
Energy: 0.8197791884422154
Energy: 0.7997102874429969
Energy: 0.8185908793534672
Energy: 0.7969899599629502
Energy: 0.8268691954340901
Energy: 0.8160712076191201
Energy: 0.7957117121912757
Energy: 0.8041498579336553
Energy: 0.8179422343304363
Energy: 0.7969865478132818
Energy: 0.839484380441169
Energy: 0.8391804513808365
Energy: 0.7972706695172919
Energy: 0.8136604745744406
Energy: 0.7981558229152155
Energy: 0.8283943150195957
Energy: 0.8157083443013453
Energy: 0.816085220159026
Energy: 0.8012087650635398
Energy: 0.8268476714451358
Energy: 0.8259169537266982
Energy: 0.775907461246518
Energy: 0.8563924006679264
Energy: 0.8493594223063231
Energy: 0.860923281322631
Energy: 0.856516885722107
Energy: 0.8703151617363382
Energy: 0.7748886230887145
Energy: 0.8561032799719467
Energy: 0.8502231479365634
Energy: 0.8608567518398832
Energy: 0.8557851070655694
Energy: 0.8707764185925626
Energy: 0.8282934596680175
Energy: 0.7916789935918918
Energy: 0.8326049669122922
Energy: 0.8028519617034622
Energy: 0.7924590465949909
Energy: 0.8328803716583335
Energy: 0.8607591808428884
Energy: 0.8037166030563992
Energy: 0.8038731116210528
Energy: 0.8607819059810996
Energy: 0.8444308043750726
Energy: 0.8036553336386646
Energy: 0.8642395108312282
Energy: 0.7923911935269004
Energy: 0.8300823526499465
Energy: 0.7917791046383065
Energy: 0.8201756646270779
Energy: 0.8141739108449062
Energy: 0.9153507723316018
Energy: 0.7983195501864496
Energy: 0.8365782524707285
Energy: 0.8344770679678928
Energy: 0.9017513026084267
Energy: 0.8258386203776019
Energy: 0.8496310361125872
Energy: 0.797666944462659
Energy: 0.8358817770743873
Energy: 0.8336856185433015
Energy: 0.7959730066515013
Energy: 0.8390978578368639
Energy: 0.8370469017156751
Energy: 0.8185654314548644
Energy: 0.8196158741901729
Energy: 0.8182774291777246
Energy: 0.8134798277512989
Energy: 0.819548143045412
Energy: 0.836902110509712
Energy: 0.818847769405618
Energy: 0.8190901900442693
Energy: 0.8179960606791974
Energy: 0.8198042449641221
Energy: 0.8189163186524304
Energy: 0.8502303954287989
Energy: 0.810209222747309
Energy: 0.8163254127926083
Energy: 0.823355587967018
Energy: 0.7966552032973621
Energy: 0.8295449305085051
Energy: 0.9468288624882542
Energy: 0.8255462434511758
Energy: 0.8262408718772233
Energy: 0.9070441700027713
Energy: 0.8296674042218154
Energy: 0.8262694242684261
Energy: 0.8227945499305199
Energy: 0.8224087063832072
Energy: 0.822079955722266
Energy: 0.8245849597967826
Energy: 0.8145699836335261
Energy: 0.7912481320655538
Energy: 0.7729199592459232
Energy: 0.8937410611684706
Energy: 0.8685583484329786
Energy: 0.8051965379917023
Energy: 0.8935950030563166
Energy: 0.8701367439805171

minimum gb energy = 0.7721759036472843 eV
minimum distance =  2.24549959649981 Angstroms
sigma value = 57


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

Energy: 0.9556498991902217
Energy: 0.9125316367544443
Energy: 0.8231116371010156
Energy: 0.7785651257874758
Energy: 0.9125902830478819
Energy: 0.8225436989352358
Energy: 0.852153662033637
Energy: 0.8445672990943419
Energy: 0.8109910209934018
Energy: 0.8115179279204208
Energy: 0.8101242156687816
Energy: 0.7853415352228951
Energy: 0.7885760905060093
Energy: 0.7405978049432417
Energy: 0.7406075408466498
Energy: 0.8017068246405334
Energy: 0.773029332148688
Energy: 0.7411784877930883
Energy: 0.7951114519774212
Energy: 0.7727411690559823
Energy: 0.7402315997247021
Energy: 0.7940376039415881
Energy: 0.7727562445217571
Energy: 0.8028670662034724
Energy: 0.7935461354125185
Energy: 0.7770087292656986
Energy: 0.7799063004105551
Energy: 0.7938490290461111
Energy: 0.7781996695899408
Energy: 0.7800074027619537
Energy: 0.7637240902204981
Energy: 0.7778232671548471
Energy: 0.7777990186051844
Energy: 0.77760046878189
Energy: 0.7768457300253203
Energy: 0.7772211302651778
Energy: 0.803558565687572
Energy: 0.7949767089696071
Energy: 0.7948264010511237
Energy: 0.7971160062917432
Energy: 0.795009987399928
Energy: 0.8016312486416425
Energy: 0.7922669026700695
Energy: 0.7975876973652073
Energy: 0.8047072680033374
Energy: 0.7776353269419226
Energy: 0.8044338903057352
Energy: 0.8040547760275889
Energy: 0.8038131951451676
Energy: 0.8445696862663785
Energy: 0.8432130683623421
Energy: 0.8071610449699156
Energy: 0.8422174650887028
Energy: 0.8465353735525234
Energy: 0.9325433569846583
Energy: 0.8158360085065244
Energy: 0.8152596945974314
Energy: 0.9333608289908848
Energy: 0.8158246533980194
Energy: 0.815391692843271
Energy: 0.8554523055951325
Energy: 0.815213276208862
Energy: 0.7703651200792707
Energy: 0.807345275797121
Energy: 0.7795781996782148
Energy: 0.8018983314619075
Energy: 0.7640413562791031
Energy: 0.8122567978348821
Energy: 0.8014151224514521
Energy: 0.7401821231847308
Energy: 0.8103589878590415
Energy: 0.8550589104868775
Energy: 0.7643044939922068
Energy: 0.8024628334285192
Energy: 0.8149288289820137
Energy: 0.8819347675932421
Energy: 0.7998760863282833
Energy: 0.8148769005213985
Energy: 0.8545416913500551
Energy: 0.785211147540723
Energy: 0.785185981428553
Energy: 0.811018815496868
Energy: 0.8097639753418856
Energy: 0.7873002801816222
Energy: 0.7948364729452656
Energy: 0.741472832087554
Energy: 0.7418818459840796
Energy: 0.7830446789845172
Energy: 0.7407057639960671
Energy: 0.7894648692110495
Energy: 0.7941457531241117
Energy: 0.7778426261685969
Energy: 0.7816724990777085
Energy: 0.7939783963823224
Energy: 0.7705672346739052
Energy: 0.7824480048148994
Energy: 0.7937615788004065
Energy: 0.777843004139337
Energy: 0.7771703871151485
Energy: 0.7834025534840854
Energy: 0.7773171101551329
Energy: 0.7768160227784923
Energy: 0.793965864540078
Energy: 0.7780328997097163
Energy: 0.7795389039695604
Energy: 0.7779995250393285
Energy: 0.7709213670233177
Energy: 0.7794879655533592
Energy: 0.8040532581072962
Energy: 0.8003854135205557
Energy: 0.7995336498631807
Energy: 0.770289881745131
Energy: 0.7993887414926172
Energy: 0.7804181693469826
Energy: 0.8037633161823301
Energy: 0.8004918279136745
Energy: 0.80428082159161
Energy: 0.8026285808860227
Energy: 0.8005933211627975
Energy: 0.7799622795170995
Energy: 0.8064123540256048
Energy: 0.8446289797641751
Energy: 0.7948840489433358
Energy: 0.8092219983518367
Energy: 0.7949873759097263
Energy: 0.7773158516239065
Energy: 0.9376912808469775
Energy: 0.8154946946075712
Energy: 0.8153004098411322
Energy: 0.9374304446593369
Energy: 0.8159362435831627
Energy: 0.8483182508637866
Energy: 0.85156620093335
Energy: 0.8435861065278177
Energy: 0.7946169262689287
Energy: 0.8078240120365324
Energy: 0.854976846874752
Energy: 0.7847664530198155
Energy: 0.7640887133203264
Energy: 0.8019698976776523
Energy: 0.8149871063760371
Energy: 0.8823456721232672
Energy: 0.8010976434505143
Energy: 0.8148602669657468

minimum gb energy = 0.7401821231847308 eV
minimum distance =  2.27849940889252 Angstroms
sigma value = 17


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

Energy: 0.6954574301604279
Energy: 0.810895683493486
Energy: 0.8886311003672099
Energy: 0.76110441485835
Energy: 0.8140820539178303
Energy: 0.7609014655606584
Energy: 0.7911018776236413
Energy: 0.8173139607026757
Energy: 0.7906949255102685
Energy: 0.8103439846352172
Energy: 0.8024968137581965
Energy: 0.7290840608006195
Energy: 0.8075762199769158
Energy: 0.6941980769932785
Energy: 0.6961636467924626
Energy: 0.8052504240021817
Energy: 0.6941251579220993
Energy: 0.6951612250992263
Energy: 0.8048298191754943
Energy: 0.6941646442718119
Energy: 0.6962577874034198
Energy: 0.8047761344629999
Energy: 0.6942072388715012
Energy: 0.8048767762517051
Energy: 0.8058766490664432
Energy: 0.7248818658709957
Energy: 0.7016593792669454
Energy: 0.8067183077953424
Energy: 0.7137167430839934
Energy: 0.7013669857363943
Energy: 0.729605108273202
Energy: 0.7024466922441724
Energy: 0.7021834311698189
Energy: 0.6978035175331719
Energy: 0.710396452366935
Energy: 0.6969449821369568
Energy: 0.7103996239133211
Energy: 0.7106002249519537
Energy: 0.7104813140905265
Energy: 0.720726068355614
Energy: 0.7108791141002764
Energy: 0.7069008598034306
Energy: 0.7107599513281122
Energy: 0.7002897825163825
Energy: 0.7129180787318695
Energy: 0.7005379606474798
Energy: 0.7001164021467475
Energy: 0.7122768875332536
Energy: 0.7125232651461701
Energy: 0.7007037431386127
Energy: 0.7001681520764231
Energy: 0.7110013531313206
Energy: 0.6998337534351609
Energy: 0.7112084386171404
Energy: 0.7102071479945903
Energy: 0.7011573357650749
Energy: 0.7011925659889077
Energy: 0.7101247310033962
Energy: 0.7014402159387052
Energy: 0.7015332565270591
Energy: 0.7131295315410453
Energy: 0.7015898535447541
Energy: 0.7015167629041459
Energy: 0.7204272372560107
Energy: 0.8057680342973281
Energy: 0.7016112020270011
Energy: 0.8029078062717181
Energy: 0.8049503718269437
Energy: 0.8049570511638251
Energy: 0.8006558138075562
Energy: 0.8050843083761163
Energy: 0.8054113974819194
Energy: 0.8037101264030858
Energy: 0.790288277133277
Energy: 0.7897190818238068
Energy: 0.7252332675054678
Energy: 0.8001659591218702
Energy: 0.7767319778174107
Energy: 0.8142090097030609
Energy: 0.8007450542551644
Energy: 0.7902125273815279
Energy: 0.8030292056577117
Energy: 0.8078260037167562
Energy: 0.7289004744421729
Energy: 0.9569306691031689
Energy: 0.7984946584764957
Energy: 0.7979140992828402
Energy: 0.9560643524105846
Energy: 0.7981851789147625
Energy: 0.8160591227182253
Energy: 0.838031881189852
Energy: 0.8025243037563032
Energy: 0.7197469198032178
Energy: 0.816488655609619
Energy: 0.8103689632847434
Energy: 0.7773184579920547
Energy: 0.8763154912332846
Energy: 0.7902993198108618
Energy: 0.8661333358698265
Energy: 0.7191374944614468
Energy: 0.8244412722002482
Energy: 0.8665535301935108

minimum gb energy = 0.6941251579220993 eV
minimum distance =  2.35025674966365 Angstroms
sigma value = 17


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

Energy: 0.69081337829665
Energy: 0.8517754840094242
Energy: 0.719650588848793
Energy: 0.6839137290548858
Energy: 0.9584499380539394
Energy: 0.7537130454695169
Energy: 0.8478789358628562
Energy: 0.7958554676402386
Energy: 0.7946757577963411
Energy: 0.7395823626836797
Energy: 0.7957077686062285
Energy: 0.720339557893737
Energy: 0.9679887025630484
Energy: 0.6809391524852484
Energy: 0.7015296162127562
Energy: 0.7393938043542678
Energy: 0.6813731503634701
Energy: 0.7035424715179881
Energy: 0.8079073276939492
Energy: 0.7039389506296821
Energy: 0.7035202560393746
Energy: 0.8049859180464399
Energy: 0.676679163457178
Energy: 0.7266664397652545
Energy: 0.744660851867706
Energy: 0.7274129676138628
Energy: 0.7219489032383347
Energy: 0.7452389046891147
Energy: 0.7335249263356366
Energy: 0.7189937207824034
Energy: 0.6662992816848571
Energy: 0.7088340552678393
Energy: 0.6799896048828764
Energy: 0.6805193649078538
Energy: 0.7112135261205028
Energy: 0.6801147867808269
Energy: 0.6691664957343842
Energy: 0.7111919830319318
Energy: 0.7109846350060008
Energy: 0.6988514591377867
Energy: 0.713996767295311
Energy: 0.7163411548834012
Energy: 0.6698497148452515
Energy: 0.6615601789818532
Energy: 0.6985827319730809
Energy: 0.6927076703455122
Energy: 0.6616005152418682
Energy: 0.7014540617080804
Energy: 0.6716063955429515
Energy: 0.6805853644524902
Energy: 0.6835233225102232
Energy: 0.6713930613459109
Energy: 0.7046103160582105
Energy: 0.6691849324560549
Energy: 0.6691788700988995
Energy: 0.6933039498072633
Energy: 0.6933740763311422
Energy: 0.6691042458326855
Energy: 0.7046768327567925
Energy: 0.6932855239138581
Energy: 0.7323095786136162
Energy: 0.6781731552630752
Energy: 0.6943190071607093
Energy: 0.6916683441796366
Energy: 0.6689039898097597
Energy: 0.6945924604632384
Energy: 0.7071871574528827
Energy: 0.6692879967336
Energy: 0.6691573497240824
Energy: 0.708038596386972
Energy: 0.67357190500677
Energy: 0.6992625945612594
Energy: 0.7077079043160018
Energy: 0.7075375914675174
Energy: 0.7071311990309779
Energy: 0.7025581793929488
Energy: 0.7082728504682266
Energy: 0.7060207077987922
Energy: 0.7118681790213959
Energy: 0.698497889210773
Energy: 0.6983866742307785
Energy: 0.7134333243273658
Energy: 0.6977201074031755
Energy: 0.7109549801437145
Energy: 0.7106210959246315
Energy: 0.6706096577839339
Energy: 0.6706087983399938
Energy: 0.7106329366097872
Energy: 0.670606532348105
Energy: 0.7218952717865811
Energy: 0.8879905545591231
Energy: 0.7225351305940544
Energy: 0.7204039197755097
Energy: 0.7358236411625143
Energy: 0.811476453880464
Energy: 0.7213747928950766
Energy: 0.6751734243753318
Energy: 0.8107545313233422
Energy: 0.8107820784653081
Energy: 0.6907430167607852
Energy: 0.8104899508130273
Energy: 0.6904534463438498
Energy: 0.7190624625388923
Energy: 0.8188311550528876
Energy: 0.804507423543142
Energy: 0.7061274521372294
Energy: 0.8211231732764729
Energy: 0.6902198438542078
Energy: 0.8760532264656722
Energy: 0.8058522084094264
Energy: 0.7359864172422741
Energy: 0.7571284522281247
Energy: 0.7024270603343539
Energy: 0.7378630610619183
Energy: 0.8755379804530764
Energy: 0.7102613904285668
Energy: 0.7046733439484488
Energy: 0.8131103606101648
Energy: 0.710027953135603
Energy: 0.7875047383750257
Energy: 0.9294784244014859
Energy: 0.8072032054822843
Energy: 0.821297511459832
Energy: 0.7320702986744234
Energy: 0.8234870023181864
Energy: 0.7379797499918733
Energy: 0.6413606020745021
Energy: 0.8318791690773587
Energy: 0.8166896875571786
Energy: 0.69122001966885
Energy: 0.8316453073803851
Energy: 0.6940148933916668
Energy: 0.6440054411638331
Energy: 0.8329292346558598
Energy: 0.8355319780436674
Energy: 0.6450853284465967
Energy: 0.8400251887295274
Energy: 0.8239760422288683
Energy: 0.92883747110431
Energy: 0.7260466092886572
Energy: 0.7373642711803617
Energy: 0.7657610453007914
Energy: 0.6849076293508656
Energy: 0.7492363186504418
Energy: 0.8071294589205364
Energy: 0.6810721366790197
Energy: 0.7048557922389831
Energy: 0.8072149618568883
Energy: 0.6810233626775787
Energy: 0.7041965108737813
Energy: 0.7893080504322556
Energy: 0.7396346848483631
Energy: 0.7270573486088149
Energy: 0.7673204097316391
Energy: 0.7320112071733196
Energy: 0.756831917485431
Energy: 0.6652613900007412
Energy: 0.724265861570733
Energy: 0.7448288350278872
Energy: 0.6806082119521747
Energy: 0.7371993683065071
Energy: 0.6803016088356372
Energy: 0.6411838637725676
Energy: 0.7131941872801263
Energy: 0.7132717191829597
Energy: 0.6408790123435858
Energy: 0.7154874658903169
Energy: 0.7132274012969712
Energy: 0.670544338039739
Energy: 0.70604748898673
Energy: 0.7094324019002907
Energy: 0.7036862588696959
Energy: 0.696280250577604
Energy: 0.7094567752732324
Energy: 0.6699259763853399
Energy: 0.6614170938204259
Energy: 0.7025828842656952
Energy: 0.6699761576718634
Energy: 0.6613720655795717
Energy: 0.706909151412598
Energy: 0.6747007550923729
Energy: 0.6905158873662356
Energy: 0.6891495735571312
Energy: 0.6697005610550724
Energy: 0.6894549646811434
Energy: 0.689058830137742
Energy: 0.706248818128047
Energy: 0.6964552162178592
Energy: 0.6950526079753979
Energy: 0.699130608609448
Energy: 0.6980525611206435
Energy: 0.7025022874012776
Energy: 0.7085054639016092
Energy: 0.6691544707760066
Energy: 0.6690932627995176
Energy: 0.7070351046749386
Energy: 0.672142282134297
Energy: 0.6691076637474749
Energy: 0.7302991184145872
Energy: 0.7001265652721289
Energy: 0.7003440101497749
Energy: 0.7061876850239817
Energy: 0.6784261238979982
Energy: 0.70061027008607
Energy: 0.7103004555899417
Energy: 0.7011850429982655
Energy: 0.7006755933085784
Energy: 0.7102723252628054
Energy: 0.7028383219133659
Energy: 0.7016735862945181
Energy: 0.7103319368732045
Energy: 0.6701058824318105
Energy: 0.694709041200244
Energy: 0.7103791610429487
Energy: 0.66990567989801
Energy: 0.7149981982897274
Energy: 0.9056458030636216
Energy: 0.7034752956661491
Energy: 0.7151730017431619
Energy: 0.727215407800178
Energy: 0.7197285745518371
Energy: 0.7038140504340927
Energy: 0.6747042826465064
Energy: 0.8084637229233644
Energy: 0.8083720094445742
Energy: 0.7495893823363065
Energy: 0.8110861686951787
Energy: 0.808383459668388
Energy: 0.6757465329083567
Energy: 0.81149730260915
Energy: 0.7024673851948253
Energy: 0.6907964664255548
Energy: 0.813204678435182
Energy: 0.6888026515114802
Energy: 0.8939190224530666
Energy: 0.807130953153435
Energy: 0.7815306823702949
Energy: 0.8099144998608624
Energy: 0.8290747814780902
Energy: 0.7496726456581497
Energy: 0.8979141633187865
Energy: 0.7102463238317126
Energy: 0.7771317063677265
Energy: 0.8054593403132793
Energy: 0.7063632464719568
Energy: 0.7782729884777836
Energy: 0.9411159259679618
Energy: 0.7469235966466735
Energy: 0.7910954754580581
Energy: 0.7420027164448819
Energy: 0.7021037500720863
Energy: 0.7679517428995868
Energy: 0.6891052255885629
Energy: 0.8037031055258583
Energy: 0.7811825845359963
Energy: 0.6461703226091852
Energy: 0.8095905497017292
Energy: 0.8087304962673789

minimum gb energy = 0.6408790123435858 eV
minimum distance =  2.29057464041503 Angstroms
sigma value = 57


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

Energy: 0.7334563242115558
Energy: 0.7364578460029023
Energy: 0.6611590541705448
Energy: 0.642793514482982
Energy: 0.9667197115803594
Energy: 0.6565006101375084
Energy: 0.8322461453473318
Energy: 0.7497935726207754
Energy: 0.7118474388387799
Energy: 0.7331948365155005
Energy: 0.7358736812667497
Energy: 0.6187693189948864
Energy: 0.8689936772304977
Energy: 0.6095107794147531
Energy: 0.6097514910891146
Energy: 0.7382225556158133
Energy: 0.6098151696416597
Energy: 0.63083019479906
Energy: 0.73567534518423
Energy: 0.609685195213153
Energy: 0.6308066970041204
Energy: 0.7356545212103908
Energy: 0.6556743010435314
Energy: 0.6548982181649979
Energy: 0.6743062931475511
Energy: 0.6459677823077147
Energy: 0.6253047824524962
Energy: 0.6744468479825494
Energy: 0.6471895552052148
Energy: 0.6366035522331411
Energy: 0.569410205023036
Energy: 0.6444621256776588
Energy: 0.6089287281641358
Energy: 0.5892531947799254
Energy: 0.6444782717489124
Energy: 0.6089920664198216
Energy: 0.7385396347483117
Energy: 0.6503657179188806
Energy: 0.6449931499438991
Energy: 0.6070532328321023
Energy: 0.6473097717614413
Energy: 0.6072554258173524
Energy: 0.7833325251649297
Energy: 0.5878645025616953
Energy: 0.5876394523958219
Energy: 0.6082101062151087
Energy: 0.588148630096345
Energy: 0.5984243187281783
Energy: 0.5990641370801973
Energy: 0.5986669121251271
Energy: 0.6080144345272145
Energy: 0.6002486602506748
Energy: 0.6130752446976577
Energy: 0.5971719704318448
Energy: 0.5969384526696444
Energy: 0.5904248772711018
Energy: 0.5896661106877213
Energy: 0.5971750627969856
Energy: 0.6069198208049353
Energy: 0.5900754885660877
Energy: 0.5933695706079267
Energy: 0.5751198663200779
Energy: 0.5936098704808006
Energy: 0.580163058030312
Energy: 0.5753004436413186
Energy: 0.5838835412756572
Energy: 0.5998769207674166
Energy: 0.5818580926425627
Energy: 0.575366165140781
Energy: 0.5952629730931118
Energy: 0.5785695003947974
Energy: 0.5838834503509791
Energy: 0.5754113907221706
Energy: 0.6262258748207108
Energy: 0.6250866245207376
Energy: 0.5828073933989342
Energy: 0.6085847794242624
Energy: 0.6048064068804004
Energy: 0.5756230210064641
Energy: 0.5861673508762105
Energy: 0.5747644133670701
Energy: 0.576967346374392
Energy: 0.5934595752838584
Energy: 0.5750323923544236
Energy: 0.5749902041571678
Energy: 0.5848341261907876
Energy: 0.5844413264205335
Energy: 0.5750160946124514
Energy: 0.6083795668731183
Energy: 0.5849205841822349
Energy: 0.6921364587477424
Energy: 0.5972935280396864
Energy: 0.5960985238836339
Energy: 0.5959284863071116
Energy: 0.5969303912205335
Energy: 0.5947802289166357
Energy: 0.6084201811090337
Energy: 0.5972444343751688
Energy: 0.597354120124481
Energy: 0.6108618155175238
Energy: 0.602752924918669
Energy: 0.603324423797617
Energy: 0.6076291501961473
Energy: 0.6056068193718209
Energy: 0.6060685493103776
Energy: 0.6447348124586217
Energy: 0.605368690168453
Energy: 0.6033471846218832
Energy: 0.6448049276159538
Energy: 0.6078720074241057
Energy: 0.6446160376528156
Energy: 0.6459170673414248
Energy: 0.6082615979097126
Energy: 0.6446970735519422
Energy: 0.8116321737995126
Energy: 0.5989963138875484
Energy: 0.5986919948036762
Energy: 0.6499843883106584
Energy: 0.5992436993689174
Energy: 0.6449479166810584
Energy: 0.8101044496947166
Energy: 0.648267699581818
Energy: 0.6150497954862694
Energy: 0.6481781722422334
Energy: 0.6462906209063864
Energy: 0.6463194354172593
Energy: 0.6357529808323236
Energy: 0.7331887290708984
Energy: 0.6241520077350908
Energy: 0.6010609005151899
Energy: 0.7327999617749995
Energy: 0.6225769755948823
Energy: 0.6543116362885704
Energy: 0.70429945797071
Energy: 0.6807349881397561
Energy: 0.6543054758452904
Energy: 0.736451324501998
Energy: 0.6750278267013562
Energy: 0.8097574784237611
Energy: 0.6460319289645444
Energy: 0.6232141943010028
Energy: 0.7348135155455535
Energy: 0.6492482919089626
Energy: 0.6266346885780193
Energy: 0.8689632523309258
Energy: 0.6285257840587103
Energy: 0.6257799842924858
Energy: 0.732826045708188
Energy: 0.6234064697918682
Energy: 0.6982826880708363
Energy: 0.8376659106880081
Energy: 0.7189440995082589
Energy: 0.6807631264064183
Energy: 0.7381087716396776
Energy: 0.7390618577493596
Energy: 0.6383435918002706
Energy: 0.5801088944697654
Energy: 0.7193180697948162
Energy: 0.6307809429346675
Energy: 0.6131404610075484
Energy: 0.7333689696829194
Energy: 0.6304699029027516

minimum gb energy = 0.569410205023036 eV
minimum distance =  2.38076283465533 Angstroms
sigma value = 43


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

Energy: 0.49403675664145325
Energy: 0.6336863991921936
Energy: 0.5804435192598614
Energy: 0.5395507756318715
Energy: 0.6336714304704488
Energy: 0.5631363508435935
Energy: 0.7053253376398232
Energy: 0.6378183490818325
Energy: 0.5218505044555874
Energy: 0.631866992410714
Energy: 0.6349936626030168
Energy: 0.5204650057632589
Energy: 0.7060754105623956
Energy: 0.5091735295997587
Energy: 0.5226410065258181
Energy: 0.6320497953558993
Energy: 0.510556003848758
Energy: 0.5231027072972816
Energy: 0.6346688487105063
Energy: 0.5224888135022163
Energy: 0.523334518813746
Energy: 0.6317990555240376
Energy: 0.5414024565795895
Energy: 0.559509944733974
Energy: 0.58754757747146
Energy: 0.5578543244583608
Energy: 0.5219606869847605
Energy: 0.5878392146838378
Energy: 0.5662799475271284
Energy: 0.5217035923854276
Energy: 0.4793431062887561
Energy: 0.5647110350491228
Energy: 0.5146261750961293
Energy: 0.4937222716691154
Energy: 0.5644835707811477
Energy: 0.5037087607021217
Energy: 0.6344504049983712
Energy: 0.5651643189624141
Energy: 0.5646716275196149
Energy: 0.5063395060033379
Energy: 0.5647839028232539
Energy: 0.5053323816866445
Energy: 0.6717217699742742
Energy: 0.49079342687351746
Energy: 0.49875765568052066
Energy: 0.5056647970432717
Energy: 0.4908909936119661
Energy: 0.4986176288371084
Energy: 0.5269650753603065
Energy: 0.4990443545256345
Energy: 0.5260489587728552
Energy: 0.5283721395034082
Energy: 0.5394637130889542
Energy: 0.5252129717161557
Energy: 0.5252341899657912
Energy: 0.5045741351724756
Energy: 0.5013742264901145
Energy: 0.5252775992313807
Energy: 0.5021507939691209
Energy: 0.5014329030234299
Energy: 0.5021811641064099
Energy: 0.5002124912675812
Energy: 0.49243845940119585
Energy: 0.48405719484993576
Energy: 0.5002874117539715
Energy: 0.48794731194116525
Energy: 0.5254493967739846
Energy: 0.5004101656375978
Energy: 0.5004117021062902
Energy: 0.49756998014309817
Energy: 0.5006306917671772
Energy: 0.4990296451466395
Energy: 0.6510777060959677
Energy: 0.4822324487104123
Energy: 0.48441634277258594
Energy: 0.6530457607979868
Energy: 0.4824988437324884
Energy: 0.48454706533785197
Energy: 0.4851465356084942
Energy: 0.5332989229994219
Energy: 0.4851901603887435
Energy: 0.48662593120305514
Energy: 0.5017025720251252
Energy: 0.4852433736447519
Energy: 0.4852801253499073
Energy: 0.4834274989687166
Energy: 0.4829807378036232
Energy: 0.4852132777092024
Energy: 0.4945799580179389
Energy: 0.48616792963328476
Energy: 0.5638472720658744
Energy: 0.4781559410867233
Energy: 0.4844942910296669
Energy: 0.48206601423982454
Energy: 0.47823010924430903
Energy: 0.48202219872871627
Energy: 0.48805948191518556
Energy: 0.47813619230291166
Energy: 0.4779112771990633
Energy: 0.48370455234819354
Energy: 0.4783093254995551
Energy: 0.48522779303788716
Energy: 0.5672118325455682
Energy: 0.5061928692323242
Energy: 0.49537744724282673
Energy: 0.5677366919704644
Energy: 0.5054131477722883
Energy: 0.49475969575742323
Energy: 0.47812898788119407
Energy: 0.48853532346777756
Energy: 0.4782535630356761
Energy: 0.47895449766339987
Energy: 0.5787659157681712
Energy: 0.4780250175813212
Energy: 0.645986795838407
Energy: 0.49577802327145143
Energy: 0.4955757529597235
Energy: 0.6475245728916473
Energy: 0.4958901841499403
Energy: 0.5084052034040571
Energy: 0.5027248748836225
Energy: 0.4853976763177124
Energy: 0.485136991050388
Energy: 0.48953622745468794
Energy: 0.48543397851270226
Energy: 0.4907016854289324
Energy: 0.48179291010324643
Energy: 0.48521332129082106
Energy: 0.492338127518121
Energy: 0.4847014069438422
Energy: 0.4852851945399626
Energy: 0.48462533038877526
Energy: 0.5001681806295938
Energy: 0.48709635567012444
Energy: 0.48680431871341423
Energy: 0.5002119106917409
Energy: 0.5059317083578457
Energy: 0.4872356216404109
Energy: 0.5003971608051494
Energy: 0.4968335123728795
Energy: 0.5003293295882323
Energy: 0.5019088568514863
Energy: 0.5252013434845181
Energy: 0.5002209744693911
Energy: 0.6587601752328739
Energy: 0.48663208272617386
Energy: 0.49267430670913126
Energy: 0.6609049200988033
Energy: 0.486797728673732
Energy: 0.49248047066274575
Energy: 0.5648046427287033
Energy: 0.525384399949646
Energy: 0.5253077706623357
Energy: 0.5012827008510962
Energy: 0.5255602463098674
Energy: 0.500941279614473
Energy: 0.5133898048342919
Energy: 0.5254050827359306
Energy: 0.5057584313754167
Energy: 0.48882485134409415
Energy: 0.5254055635876652
Energy: 0.4956602037421728
Energy: 0.5648030259140242
Energy: 0.5098867112743088
Energy: 0.5062857347928528
Energy: 0.5647029449973083
Energy: 0.5233810061315385
Energy: 0.5065934074704097
Energy: 0.5662932100243596
Energy: 0.5093439547001808
Energy: 0.565063751179452
Energy: 0.5675067851282181
Energy: 0.5634254147205912
Energy: 0.5646466080087124
Energy: 0.6928707958607133
Energy: 0.4993014538970512
Energy: 0.5094956792527962
Energy: 0.5528615858450664
Energy: 0.4994189906496223
Energy: 0.5092594914313405
Energy: 0.6916112578225335
Energy: 0.5554346772411223
Energy: 0.5531181409692556
Energy: 0.5524684453720573
Energy: 0.5607479377055272
Energy: 0.5248472534780909
Energy: 0.4856473796716124
Energy: 0.6317777186127306
Energy: 0.5333698664981297
Energy: 0.5074249963478621
Energy: 0.6318252414954346
Energy: 0.5163665044230065
Energy: 0.6323670924726168
Energy: 0.567206529485966
Energy: 0.5584820074928951
Energy: 0.5468370137446826
Energy: 0.6340098741166164
Energy: 0.5585156893470888
Energy: 0.6902840588275252
Energy: 0.538752529683842
Energy: 0.5384468614202568
Energy: 0.6322297368485853
Energy: 0.5680684979561337
Energy: 0.5909079387266569
Energy: 0.7063045343141803
Energy: 0.5237594396871095
Energy: 0.5382789091996489
Energy: 0.6320375310888523
Energy: 0.5267786336247692
Energy: 0.5593325182027131
Energy: 0.7051926970586037
Energy: 0.5992324199161092
Energy: 0.5585786009261343
Energy: 0.6319505937235326
Energy: 0.6319032212043095
Energy: 0.5581093534856623

minimum gb energy = 0.4779112771990633 eV
minimum distance =  2.38359789180702 Angstroms
sigma value = 81


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

Energy: 0.032043537963440505
Energy: 0.033297651747767096
Energy: 0.032631939463165255
Energy: 0.03389297672350459
Energy: 0.03441379586247693
Energy: 0.032556561947450914
Energy: 0.06511344477546228
Energy: 0.03331055781348828
Energy: 0.03323590489012928
Energy: 0.0646000003641032
Energy: 0.033571386221663994
Energy: 0.033591491658081694
Energy: 0.06483780397330072
Energy: 0.03250330335873762
Energy: 0.03261455555275417
Energy: 0.06483140800955034
Energy: 0.0323930737977954
Energy: 0.06495601297483747
Energy: 0.03515009988470882
Energy: 0.032527870183545644
Energy: 0.032736227461105154
Energy: 0.033290213444882616
Energy: 0.032589159790544914
Energy: 0.0655128013116039
Energy: 0.06497027013120994
Energy: 0.06480159346161042
Energy: 0.06492382928589065
Energy: 0.06610692380585402
Energy: 0.06487351679216447
Energy: 0.0647457553560604
Energy: 0.03313001112361233
Energy: 0.0332435414865332
Energy: 0.03262343027560816
Energy: 0.03439980814069497
Energy: 0.03326643983276551
Energy: 0.03261039938044294
Energy: 0.06484692705247849
Energy: 0.033351391252786036
Energy: 0.03354113235740609
Energy: 0.06512566481820772
Energy: 0.03330872783744533
Energy: 0.033409351331352026
Energy: 0.0649318665213543
Energy: 0.032505951135685746
Energy: 0.03276532261650456
Energy: 0.06471675353197888
Energy: 0.0324355738702172
Energy: 0.0653948066309921
Energy: 0.03431084164252993
Energy: 0.032629215624755604
Energy: 0.06620941586489681
Energy: 0.034653711956629495
Energy: 0.0326124456920656
Energy: 0.0668802352597488
Energy: 0.03241880726010648
Energy: 0.06479140948314677
Energy: 0.06483299991464786
Energy: 0.032831120635355274
Energy: 0.06486699084807185
Energy: 0.06489745710747968

minimum gb energy = 0.032043537963440505 eV
minimum distance =  2.54774192505511 Angstroms
sigma value = 3


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

Energy: 0.599411340681697
Energy: 0.5912874361312221
Energy: 0.590482461824575
Energy: 0.582722442857007
Energy: 0.5911872764101976
Energy: 0.5879523409982907
Energy: 0.6240457829812003
Energy: 0.6043161350121824
Energy: 0.6043548035573282
Energy: 0.589159322182668
Energy: 0.6045729509174247
Energy: 0.6044650089169762
Energy: 0.6327516737376535
Energy: 0.5775037197399655
Energy: 0.5775240542319634
Energy: 0.607121059680187
Energy: 0.5776896323551038
Energy: 0.5953948568653457
Energy: 0.5888335476466539
Energy: 0.5780120714041106
Energy: 0.5784168792732894
Energy: 0.5888029457229768
Energy: 0.5343960615035456
Energy: 0.5954383367311005
Energy: 0.5360805324846348
Energy: 0.59929066738434
Energy: 0.5996200665607008
Energy: 0.5358972655989384
Energy: 0.6045210218995299
Energy: 0.6043291094482491
Energy: 0.5677915964714045
Energy: 0.6022007300783819
Energy: 0.5888742654645839
Energy: 0.557984919641924
Energy: 0.6005199996243308
Energy: 0.5578116265551573
Energy: 0.5908287576847444
Energy: 0.544027916015855
Energy: 0.5901781401887246
Energy: 0.5905323244140741
Energy: 0.545423243071097
Energy: 0.5960519604625879
Energy: 0.5882729435574183
Energy: 0.5649395207146423
Energy: 0.5650090967203804
Energy: 0.5883368341371293
Energy: 0.5411518087634211
Energy: 0.5471401995537577
Energy: 0.5914803921859064
Energy: 0.5645675353711889
Energy: 0.5989876635142328
Energy: 0.596242290527364
Energy: 0.5043045259649458
Energy: 0.5941423447627416
Energy: 0.5486446798658233
Energy: 0.5447250093983586
Energy: 0.5444711187454426
Energy: 0.548682055552961
Energy: 0.545914212469536
Energy: 0.5542398187255819
Energy: 0.5598739243851575
Energy: 0.5716109316359712
Energy: 0.5717268117580886
Energy: 0.5464244485692786
Energy: 0.5648356819263357
Energy: 0.5467487281237549
Energy: 0.5101678662130512
Energy: 0.5737276122044419
Energy: 0.5727271504497549
Energy: 0.510416760239662
Energy: 0.5741308351657158
Energy: 0.5087613241181768
Energy: 0.5083264565714827
Energy: 0.5353299823929599
Energy: 0.5512713579771381
Energy: 0.5084504958845535
Energy: 0.5351646909231456
Energy: 0.5295433482366866
Energy: 0.549298832053366
Energy: 0.5230950936904903
Energy: 0.5507837266660022
Energy: 0.5527158709614409
Energy: 0.522948589173168
Energy: 0.5517086963848341
Energy: 0.5503402387969787
Energy: 0.48478895914584536
Energy: 0.484978301228446
Energy: 0.5481814806462684
Energy: 0.48590146989580507
Energy: 0.485327709164164
Energy: 0.5485130325282609
Energy: 0.5380565021516047
Energy: 0.540351503700049
Energy: 0.5381538400973985
Energy: 0.5418194538812051
Energy: 0.5399774588903712
Energy: 0.47805923144601814
Energy: 0.5397604055543149
Energy: 0.5394054505673764
Energy: 0.47680705879277313
Energy: 0.5386781090542306
Energy: 0.4749010174474482
Energy: 0.47720465643657195
Energy: 0.5356155316081316
Energy: 0.5356295410476604
Energy: 0.47686115176565635
Energy: 0.5352973360198172
Energy: 0.5351332628451869
Energy: 0.5411341063747341
Energy: 0.5402359290406329
Energy: 0.5347253236954902
Energy: 0.5352972712572631
Energy: 0.540472778425787
Energy: 0.5353784322770154
Energy: 0.5406255101099631
Energy: 0.4739172702454908
Energy: 0.47352474609010187
Energy: 0.541339244459583
Energy: 0.47738762337635854
Energy: 0.4735534262963538
Energy: 0.5405212107711604
Energy: 0.5385244042194239
Energy: 0.540382235628006
Energy: 0.5408825522532378
Energy: 0.54779850613908
Energy: 0.5393355152424494
Energy: 0.4942783403334842
Energy: 0.538453795068498
Energy: 0.5131986235128873
Energy: 0.4853527461919571
Energy: 0.5524995680077923
Energy: 0.4847620843273481
Energy: 0.4868190586208876
Energy: 0.550926061425828
Energy: 0.5511077872121722
Energy: 0.4868087250350516
Energy: 0.5508573787900288
Energy: 0.5512384863716904
Energy: 0.5525404880415979
Energy: 0.5085985283909832
Energy: 0.5505572671343562
Energy: 0.5411996765761051
Energy: 0.5084768815629664
Energy: 0.5411168680718217
Energy: 0.5652387470345751
Energy: 0.5094011508690163
Energy: 0.5091268059235053
Energy: 0.5670775066072594
Energy: 0.510253020228606
Energy: 0.508817745793884
Energy: 0.5664963658585809
Energy: 0.5561096659926674
Energy: 0.5564377190961997
Energy: 0.5654488209913034
Energy: 0.5363055396326539
Energy: 0.5716365681965859
Energy: 0.5463416779572176
Energy: 0.5559531913255221
Energy: 0.556498193205792
Energy: 0.5464531347267458
Energy: 0.5733583172175001
Energy: 0.5442426380310164
Energy: 0.5205716496798858
Energy: 0.6013925049832937
Energy: 0.6000922498589567
Energy: 0.5205715797318778
Energy: 0.5950429219469577
Energy: 0.5998609598629001
Energy: 0.5664464080099022
Energy: 0.5857547338124055
Energy: 0.5798869584715152
Energy: 0.5504910284780821
Energy: 0.5885680739273494
Energy: 0.5506619352513709
Energy: 0.5437126595295196
Energy: 0.5921171996062722
Energy: 0.5893279432862285
Energy: 0.5437135738659836
Energy: 0.5912257774483521
Energy: 0.5999798763872878
Energy: 0.6004533173401448
Energy: 0.5722143119518291
Energy: 0.5719309949169283
Energy: 0.6000600747794049
Energy: 0.5446717001581013
Energy: 0.5718539232244714
Energy: 0.633983517818035
Energy: 0.5721340075324619
Energy: 0.610133957126862
Energy: 0.6039796317772083
Energy: 0.5440474480628793
Energy: 0.5994737102623227
Energy: 0.5497908773348246
Energy: 0.5889140447326426
Energy: 0.5891324591533438
Energy: 0.5497998643054016
Energy: 0.5914657054269955
Energy: 0.5734972780192596

minimum gb energy = 0.47352474609010187 eV
minimum distance =  2.29239953863749 Angstroms
sigma value = 67


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

Energy: 0.7354087464534683
Energy: 0.705431683302151
Energy: 0.727758105201604
Energy: 0.7019723872347421
Energy: 0.705312011801024
Energy: 0.744703309558855
Energy: 0.7468618838335432
Energy: 0.7208692740242633
Energy: 0.720555691026188
Energy: 0.720407062971759
Energy: 0.7349445875544304
Energy: 0.7181113875508147
Energy: 0.7571113801746693
Energy: 0.700496646045015
Energy: 0.7133507086673248
Energy: 0.7212787113715089
Energy: 0.700483646956184
Energy: 0.7134381059397913
Energy: 0.7002018566849869
Energy: 0.7135625289096897
Energy: 0.7138181111822746
Energy: 0.6998784169679106
Energy: 0.7015739373540801
Energy: 0.7138068931999934
Energy: 0.691390290863525
Energy: 0.7345021577642853
Energy: 0.72022960632544
Energy: 0.691479144422488
Energy: 0.7360008899798519
Energy: 0.7188709491105972
Energy: 0.6891686182857915
Energy: 0.7092426106188482
Energy: 0.6949084509097664
Energy: 0.679327426120655
Energy: 0.706712706461533
Energy: 0.6953144798154248
Energy: 0.6955998653392957
Energy: 0.6925696729605727
Energy: 0.6913824462847709
Energy: 0.6916472870911777
Energy: 0.6904486272318655
Energy: 0.6899886135283101
Energy: 0.6935317518834078
Energy: 0.6765449012904988
Energy: 0.6763303279749853
Energy: 0.6919124994265639
Energy: 0.6759507737902262
Energy: 0.6948197915009026
Energy: 0.6914733176139474
Energy: 0.7064895365688237
Energy: 0.7052101966298284
Energy: 0.6978599456918135
Energy: 0.6347689341709113
Energy: 0.708657645406577
Energy: 0.6966697871891753
Energy: 0.6404642554696546
Energy: 0.6354886875408798
Energy: 0.6975632210406238
Energy: 0.6374771438122484
Energy: 0.6357193593225318
Energy: 0.6921001794877039
Energy: 0.6782799724686914
Energy: 0.6785654257094123
Energy: 0.6778776301269557
Energy: 0.6793194868779117
Energy: 0.6784481141418797
Energy: 0.6059371350022685
Energy: 0.6801969096222285
Energy: 0.6795881297174308
Energy: 0.6043252335437139
Energy: 0.6811562012164747
Energy: 0.6039949154356302
Energy: 0.6043170645216392
Energy: 0.6681537115394606
Energy: 0.6717880126692652
Energy: 0.6044400986742345
Energy: 0.668093180734321
Energy: 0.6040562678818484
Energy: 0.6751794242442062
Energy: 0.6795243453599208
Energy: 0.6706881140574195
Energy: 0.6683084783751655
Energy: 0.6753916901072322
Energy: 0.670265988565021
Energy: 0.6752643641176668
Energy: 0.6085225406207649
Energy: 0.6044540418205115
Energy: 0.6760789505417919
Energy: 0.6050672348140452
Energy: 0.6038971595300981
Energy: 0.6772454528806939
Energy: 0.6789166917003306
Energy: 0.6810662207898114
Energy: 0.6813258099840203
Energy: 0.6487548740694621
Energy: 0.6789059464995442
Energy: 0.6443416219071835
Energy: 0.6657170441640912
Energy: 0.6700074353890884
Energy: 0.6364466765777825
Energy: 0.6659746599932054
Energy: 0.6361438708743417
Energy: 0.6353982138018257
Energy: 0.7049347327537946
Energy: 0.7067353442676956
Energy: 0.6351893335202886
Energy: 0.7045758631910501
Energy: 0.6351831061797834
Energy: 0.6773184530511669
Energy: 0.693712280403633
Energy: 0.6867038810679967
Energy: 0.6859258934034611
Energy: 0.6910071952244438
Energy: 0.6866928940040157
Energy: 0.6815007353005232
Energy: 0.6912092769869632
Energy: 0.6905666828238732
Energy: 0.6814897930786997
Energy: 0.693073188042588
Energy: 0.690404549055457
Energy: 0.6902756867026507
Energy: 0.719678931198547
Energy: 0.7196574413137204
Energy: 0.6899853297018955
Energy: 0.7024113828360107
Energy: 0.7198000185266569
Energy: 0.7572561998772607
Energy: 0.6832523525852658
Energy: 0.7195130878699224
Energy: 0.7212933703955087
Energy: 0.6832523066030898
Energy: 0.7196583857181359
Energy: 0.7228483046353413
Energy: 0.6949634844140115
Energy: 0.6939268092105496
Energy: 0.7230237588279469
Energy: 0.6935181548595598
Energy: 0.6902986136661802

minimum gb energy = 0.6038971595300981 eV
minimum distance =  2.30307424456967 Angstroms
sigma value = 33


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

Energy: 0.8526301462187755
Energy: 0.8158918066538567
Energy: 0.8585728228737302
Energy: 0.8214168238865212
Energy: 0.8595692180200917
Energy: 0.8224053795228967
Energy: 0.8484907434827702
Energy: 0.8178205671811194
Energy: 0.8142994843636133
Energy: 0.8176598810832866
Energy: 0.8174528378294785
Energy: 0.8141610384397178
Energy: 0.8723125116385708
Energy: 0.8020220632372357
Energy: 0.802040442117386
Energy: 0.8170760824651562
Energy: 0.802064105098232
Energy: 0.8021470041079724
Energy: 0.815430679964692
Energy: 0.8041311032210068
Energy: 0.803807448734163
Energy: 0.8153474170708578
Energy: 0.7523440049663331
Energy: 0.8036696568281739
Energy: 0.7561333026712229
Energy: 0.8119458339853983
Energy: 0.8140158031263677
Energy: 0.7562859120776361
Energy: 0.8191684613370277
Energy: 0.8136943999424024
Energy: 0.7911823818289724
Energy: 0.8119122745067879
Energy: 0.8119753536719084
Energy: 0.7446332337167334
Energy: 0.8038299266720428
Energy: 0.7741461257368428
Energy: 0.7564378791702713
Energy: 0.8145262614081535
Energy: 0.8126855997097532
Energy: 0.756384294144994
Energy: 0.8131050041485792
Energy: 0.7522670778026456
Energy: 0.7567217156783959
Energy: 0.7778146793585592
Energy: 0.7784834345913436
Energy: 0.7568018993573076
Energy: 0.6913912486517447
Energy: 0.7521092073392267
Energy: 0.770060601246634
Energy: 0.7787136289142099
Energy: 0.7770578224745884
Energy: 0.77165218756756
Energy: 0.6898934877614615
Energy: 0.7776786234780946
Energy: 0.773309692699107
Energy: 0.6910804472228442
Energy: 0.6907155584590964
Energy: 0.7744652109044058
Energy: 0.6917630276904828
Energy: 0.6903530564529916
Energy: 0.7720597869185603
Energy: 0.7409658448935903
Energy: 0.7619663927045353
Energy: 0.7613807549486754
Energy: 0.7337756268247493
Energy: 0.762761794144634
Energy: 0.6907053824891126
Energy: 0.7616559168053757
Energy: 0.761909037479889
Energy: 0.690513851895385
Energy: 0.7577751988308702
Energy: 0.6906326490885756
Energy: 0.6901347873587448
Energy: 0.7767765066092909
Energy: 0.7778765221682862
Energy: 0.690208039424456
Energy: 0.7780893432707868
Energy: 0.6905232752835403
Energy: 0.7745925114010971
Energy: 0.7769405948061185
Energy: 0.7778273601845697
Energy: 0.7580123902891518
Energy: 0.7731615860655692
Energy: 0.7579991469426274
Energy: 0.780499195001351
Energy: 0.7568010371262395
Energy: 0.7520119754926513
Energy: 0.7762048460949857
Energy: 0.7591302380754363
Energy: 0.7520162430304845
Energy: 0.807874934356337
Energy: 0.7902907207926726
Energy: 0.7902290627579925
Energy: 0.8055579274444091
Energy: 0.7066909710156241
Energy: 0.8125554741567376
Energy: 0.8718480924321164
Energy: 0.7906020097929786
Energy: 0.7904866456479444
Energy: 0.8166822426119043
Energy: 0.706621499600753
Energy: 0.7903402216777042
Energy: 0.8496185214171982
Energy: 0.8178728249752135
Energy: 0.8093813364311951
Energy: 0.8187151685573643
Energy: 0.8181404334168031
Energy: 0.8024088375868188
Energy: 0.801712201499884
Energy: 0.8173443990279996
Energy: 0.8248362278320418
Energy: 0.759978858930201
Energy: 0.8173291288712358
Energy: 0.7885957089166815
Energy: 0.7989874903305269
Energy: 0.8177246989158625
Energy: 0.817885533012992
Energy: 0.7992405364092005
Energy: 0.8191183769486327
Energy: 0.8138473779394608
Energy: 0.8686539542286074
Energy: 0.8036045887763534
Energy: 0.8034409793036247
Energy: 0.8155946562595757
Energy: 0.8080095705925546
Energy: 0.803259064107778
Energy: 0.8165457133926766
Energy: 0.8024127313858158
Energy: 0.8025351024186747
Energy: 0.8163801193870466
Energy: 0.8021364553532306
Energy: 0.8023486361523575
Energy: 0.7566193702163052
Energy: 0.8143150364644447
Energy: 0.8139659050057001
Energy: 0.755863254102202
Energy: 0.8177091578276589
Energy: 0.8139880777528749
Energy: 0.7912682840691234
Energy: 0.8026033169207455
Energy: 0.8116223107536217
Energy: 0.7742895145705538
Energy: 0.8033436091419827
Energy: 0.774294732215191
Energy: 0.7563117774482628
Energy: 0.8138810039747443
Energy: 0.8135178747241698
Energy: 0.7562450102160503
Energy: 0.8140132685635257
Energy: 0.7525977428403855
Energy: 0.7650044686134313
Energy: 0.7777843050186174
Energy: 0.7529772787446082
Energy: 0.7569568804955323
Energy: 0.744906743468954
Energy: 0.7518901046546492
Energy: 0.7709172914854927
Energy: 0.7775155749203834
Energy: 0.7768327759964729
Energy: 0.7727333298370229
Energy: 0.748716099398596
Energy: 0.779075625409504
Energy: 0.7718313260430849
Energy: 0.6911451427161395
Energy: 0.6906966991217136
Energy: 0.7733223990684943
Energy: 0.6926420401198188
Energy: 0.6905202798834631
Energy: 0.7723327387525953
Energy: 0.733773976255138
Energy: 0.7619013567382819
Energy: 0.7194674566870424
Energy: 0.7324414566062923
Energy: 0.7621710035634662
Energy: 0.690342822335353
Energy: 0.761945151663315
Energy: 0.7616866721586573
Energy: 0.6904384139026416
Energy: 0.7575918161248107
Energy: 0.690733034887556
Energy: 0.6911406989331697
Energy: 0.7764354437872905
Energy: 0.6910012603332547
Energy: 0.6908988154750014
Energy: 0.7773658806418968
Energy: 0.6904900768931205
Energy: 0.7748608598294608
Energy: 0.7775311637803819
Energy: 0.7780098939674674
Energy: 0.7576040248964209
Energy: 0.7719013123134328
Energy: 0.7575672358336898
Energy: 0.7735813416298393
Energy: 0.7564161022765904
Energy: 0.7520564028614256
Energy: 0.7738324885690596
Energy: 0.7616902685446124
Energy: 0.7520082261924439
Energy: 0.8012009151969333
Energy: 0.7601184604625774
Energy: 0.8101188759780804
Energy: 0.8092604325571278
Energy: 0.7062636193463934
Energy: 0.8098391666456302
Energy: 0.8691012504193768
Energy: 0.7913329876475536
Energy: 0.791338420341353
Energy: 0.8168531681721564
Energy: 0.75534101402902
Energy: 0.7909516906741951
Energy: 0.8493850774575538
Energy: 0.8130305564487648
Energy: 0.8093241378765393
Energy: 0.8179206111033471
Energy: 0.7558784985625622
Energy: 0.803000452589791
Energy: 0.8022954304501615
Energy: 0.8167338582807334
Energy: 0.824739599821636
Energy: 0.7883549950995238
Energy: 0.8171717724711782
Energy: 0.7885815008361999

minimum gb energy = 0.6898934877614615 eV
minimum distance =  2.30961704585585 Angstroms
sigma value = 41


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

Energy: 0.9806449320305565
Energy: 0.8455758076996628
Energy: 0.9897057093092888
Energy: 0.9027360138457252
Energy: 0.8479476175158723
Energy: 0.9880135779280642
Energy: 0.9766024956853306
Energy: 0.8468994410561004
Energy: 0.8458665652770403
Energy: 0.9044096146749654
Energy: 0.847735956278559
Energy: 0.8521141719093425
Energy: 0.9831875624367951
Energy: 0.8773651773805877
Energy: 0.9127155010001348
Energy: 0.8471169702687422
Energy: 0.8357166584844901
Energy: 0.9128473562318169
Energy: 0.8474289564971951
Energy: 0.8778340909649488
Energy: 0.912773028850898
Energy: 0.8463960323728447
Energy: 0.8348981398183613
Energy: 0.832254312349278
Energy: 0.830328321897692
Energy: 0.8472873350968237
Energy: 0.8518307695805375
Energy: 0.8303422786644232
Energy: 0.8475379976051043
Energy: 0.8512732843548747
Energy: 0.9213694949663593
Energy: 0.8506602452171416
Energy: 0.8498778133028126
Energy: 0.8350128426519529
Energy: 0.8590091513079553
Energy: 0.8508107367308753
Energy: 0.8290017487932163
Energy: 0.9123373811774579
Energy: 0.8854801274040223
Energy: 0.8293130780050898
Energy: 0.9115145051900208
Energy: 0.8383280131279289
Energy: 0.8303195252372652
Energy: 0.807602667037278
Energy: 0.8383375960227527
Energy: 0.8297146156915362
Energy: 0.8389282914082071
Energy: 0.8386306607492962
Energy: 0.8940890336601004
Energy: 0.8395887537762631
Energy: 0.8397133001663084
Energy: 0.8906501404286212
Energy: 0.858336272727306
Energy: 0.8830417986856854
Energy: 0.855542297135304
Energy: 0.8351245089970747
Energy: 0.8392576188310832
Energy: 0.846046478051972
Energy: 0.8309186471217735
Energy: 0.8384049472502159
Energy: 0.8603776080402963
Energy: 0.8403621359506414
Energy: 0.8500453807309645
Energy: 0.8513143588589512
Energy: 0.7865180178271286
Energy: 0.8520558949375674
Energy: 0.982619226579123
Energy: 0.8800328567927133
Energy: 0.8806856651841475
Energy: 0.8476389089855905
Energy: 0.786969357389522
Energy: 0.8801145149297213
Energy: 0.9753167483967554
Energy: 0.8324989475076211
Energy: 0.8907569211407649
Energy: 0.8475971825282445
Energy: 0.908566884753398
Energy: 0.9124367138251344
Energy: 0.9225436456287007
Energy: 0.8470594277838879
Energy: 0.7888823003051246
Energy: 0.7850035855723417
Energy: 0.846291874204199
Energy: 0.7893496000874471

minimum gb energy = 0.7850035855723417 eV
minimum distance =  2.37953618119688 Angstroms
sigma value = 11


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

Energy: 0.9936829186791094
Energy: 1.0694965329361246
Energy: 1.199545710136423
Energy: 1.073084592283244
Energy: 1.0989404632829272
Energy: 1.0357059837028395
Energy: 1.0986520445441843
Energy: 0.949897324688244
Energy: 0.9457371265477085
Energy: 0.9716002934064217
Energy: 0.9506429159205381
Energy: 0.9728054773203823
Energy: 1.0981893026639884
Energy: 0.9438476598757582
Energy: 0.944659052085799
Energy: 1.054428469593474
Energy: 0.9438373507583556
Energy: 0.9621167181803307
Energy: 0.9968944534362908
Energy: 0.9621270558271131
Energy: 0.9653954125185542
Energy: 0.9969303896572447
Energy: 0.9556016009507521
Energy: 0.9671725562621593
Energy: 0.9707774101189897
Energy: 0.9517818285625628
Energy: 0.952632490796871
Energy: 0.942941854192002
Energy: 0.951106317036723
Energy: 0.9725718184663077
Energy: 0.997822001098425
Energy: 0.9551997067749186
Energy: 0.9552802286009293
Energy: 0.9759951095702339
Energy: 0.9896679434518605
Energy: 0.9638445105026933
Energy: 0.9703761402297256
Energy: 0.9549599975360278
Energy: 0.9554736720062409
Energy: 0.970539351183603
Energy: 0.966009990858246
Energy: 0.951655058627736
Energy: 0.9606292287487392
Energy: 0.9594118129394136
Energy: 0.9711019352283198
Energy: 0.9506225454016373
Energy: 0.9702779691658857
Energy: 0.969300315889233
Energy: 0.9930292639818965
Energy: 0.9734093011751469
Energy: 0.970479288646982
Energy: 0.9418914271355593
Energy: 0.9530949359154335
Energy: 0.9420762369542772
Energy: 0.9931283785127826
Energy: 0.9730166667904553
Energy: 0.9706396114250041
Energy: 0.9574319022557268
Energy: 0.9653319452903892
Energy: 0.966126034408992
Energy: 0.9604001195505194
Energy: 0.9570796988471321
Energy: 0.9734466236220876
Energy: 0.95093364124472
Energy: 0.9485247192477806
Energy: 0.9682306854872988
Energy: 1.0015130397977567
Energy: 0.9667642053512383
Energy: 1.006209348712552
Energy: 1.0022353565770246
Energy: 0.9479646769507981
Energy: 0.97718893627888
Energy: 0.9452080841272068
Energy: 0.9774692476876661
Energy: 0.9751296383523342
Energy: 0.9451375163043613
Energy: 0.971078250648374
Energy: 0.9561447474687257
Energy: 0.9639905153837235
Energy: 0.9527123810105371
Energy: 0.9528990209544732
Energy: 0.9632117484304042
Energy: 1.0326396633693307
Energy: 0.9482898002886827
Energy: 0.9454274451128731
Energy: 0.9647325392847772
Energy: 0.9652103948131132
Energy: 0.9493420871014457
Energy: 0.9683937716671059
Energy: 0.964508113766651
Energy: 0.9394714039317327
Energy: 0.964612761277754
Energy: 0.9649824431675694
Energy: 0.9405199187736528
Energy: 0.9649952521662067
Energy: 0.9654034272297752
Energy: 0.9568996926893316
Energy: 0.9647504534340544
Energy: 0.9648830850119035
Energy: 0.9569039331102244
Energy: 0.975449610790592
Energy: 0.9595842474317905
Energy: 0.953840215905051
Energy: 0.980949719487042
Energy: 0.9804134071335106
Energy: 0.9714952198091951
Energy: 1.01917696815923
Energy: 0.953662495046949
Energy: 0.9494754837062753
Energy: 0.956421333165114
Energy: 0.9623176021770937
Energy: 0.9499958102333529
Energy: 0.9647435953202814
Energy: 0.9687346454795001
Energy: 0.9731626251783039
Energy: 0.9423322781038184
Energy: 0.9434335560832982
Energy: 0.9552845098762841
Energy: 0.9422645060989533
Energy: 0.9629624683372962
Energy: 1.0144400790920818
Energy: 0.9662303470108476
Energy: 0.9585078338276013
Energy: 0.9632543976688444
Energy: 0.9533897160234108
Energy: 0.9633676228322527
Energy: 0.9806815020385795
Energy: 0.9620470318953104
Energy: 0.9631247166998099
Energy: 0.946433892499407
Energy: 0.9605934611630333
Energy: 0.96745488650887
Energy: 0.9630715205811523
Energy: 0.9554269407440908
Energy: 0.9674142852258246
Energy: 0.9427308745041384
Energy: 0.9610541973331945
Energy: 0.9840075574977967
Energy: 1.014171926156588
Energy: 0.9499195437122795
Energy: 0.951962281888434
Energy: 0.9498943927684889
Energy: 0.9500638302356976
Energy: 0.9613798654408843
Energy: 1.0173487050338945
Energy: 0.9640492634955116
Energy: 0.9627817177595532
Energy: 0.9989285193507703
Energy: 0.9737013116569256
Energy: 0.948070299442087
Energy: 1.0080720385770083
Energy: 0.9485084027928276
Energy: 0.9486375728715727
Energy: 0.9808665502012209
Energy: 0.9477741335414741
Energy: 0.964274694969165
Energy: 1.008101609045233
Energy: 0.9396038066600448
Energy: 0.9617307448160217
Energy: 0.9645442880198863
Energy: 0.9412746954808231
Energy: 0.9653153665163152
Energy: 0.9973170030439016
Energy: 0.9556924221450498
Energy: 0.9651084668868286
Energy: 0.9818056307724645
Energy: 0.954247881255464
Energy: 0.9658653918153364
Energy: 1.098074404341609
Energy: 0.9435550483872104
Energy: 0.94619502538275
Energy: 1.0626696801602804
Energy: 0.980269958070837
Energy: 0.9635979997153047
Energy: 1.0980471453567233
Energy: 0.9464374410004007
Energy: 0.9565160321040614
Energy: 0.9764275540301839
Energy: 0.9455687018805808
Energy: 0.964821660318893
Energy: 0.975503797329108
Energy: 0.9998930199131296
Energy: 0.9519685059037867
Energy: 0.941547767295703
Energy: 0.9996758012673584
Energy: 0.9798139847821047

minimum gb energy = 0.9394714039317327 eV
minimum distance =  2.25683399519409 Angstroms
sigma value = 57


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

Energy: 1.2558908167632092
Energy: 0.9782401437619924
Energy: 1.0512154947906778
Energy: 1.0519116874806456
Energy: 1.326495613009801
Energy: 1.051223014613087
Energy: 1.0430723314888362
Energy: 0.9949828162371193
Energy: 0.993169989172456
Energy: 0.9752533487415067
Energy: 0.9807322115694397
Energy: 0.9853667868108407
Energy: 1.041718246466875
Energy: 0.9996472675252054
Energy: 1.0029923966080492
Energy: 1.0142610453339025
Energy: 1.0004068404745665
Energy: 1.0172687453715445
Energy: 0.9763406556838702
Energy: 0.979324551439379
Energy: 0.9821422903643703
Energy: 0.9765765112486863
Energy: 1.0006047598711743
Energy: 0.990697215921722
Energy: 0.9751834190284242
Energy: 1.0146824804912145
Energy: 0.9935588412350876
Energy: 0.9734052319381526
Energy: 1.0143591508137235
Energy: 0.9933601567717661
Energy: 0.9808337050736565
Energy: 1.021549669859161
Energy: 1.011753173825103
Energy: 1.0134027643299952
Energy: 1.0236262525287882
Energy: 1.015444627735674
Energy: 1.0226253280181425
Energy: 0.9471771685811726
Energy: 0.9615561433500118
Energy: 1.0211268065454562
Energy: 0.9443100058778692
Energy: 1.0105886483230062
Energy: 1.0427609917209295
Energy: 0.9780478025671477
Energy: 0.9805318183051925
Energy: 0.9798277568248417
Energy: 0.9729822482417911
Energy: 0.986209430185521
Energy: 0.9696705572662001
Energy: 1.0138761372221619
Energy: 1.040973054826943
Energy: 0.9931394252747505
Energy: 1.0139866927896568
Energy: 1.043050122569028
Energy: 0.9697471885607065
Energy: 1.0138793861215283
Energy: 1.0412450325830236
Energy: 0.9820839491290321
Energy: 1.0157244408271788
Energy: 1.0431538249143333
Energy: 1.04402966905954
Energy: 0.9787818240342778
Energy: 0.9800977781266758
Energy: 0.9677317061815226
Energy: 0.9734113874774495
Energy: 0.9833469953429895
Energy: 1.0169464462702522
Energy: 0.9994092148053133
Energy: 1.0003912560266945
Energy: 1.01492940191947
Energy: 1.0004977193900413
Energy: 1.0166597042279033
Energy: 0.978493636862555
Energy: 0.984296734931867
Energy: 0.983374333972094
Energy: 0.9816298701688617
Energy: 0.9792321134058288
Energy: 0.9829504718867331
Energy: 0.9652673923548346
Energy: 1.01451088556496
Energy: 1.0188024985209212
Energy: 1.0036726605991864
Energy: 1.0152536982222815
Energy: 1.0165302232255236
Energy: 0.9772896810856636
Energy: 0.9431328896870328
Energy: 0.9939277422963195
Energy: 0.9730175441335316
Energy: 0.9429354926903702
Energy: 0.9932634831272527
Energy: 1.0408893503453513
Energy: 0.944501599081817
Energy: 0.9842879849675037
Energy: 1.0407529699584892
Energy: 0.9416210537717863
Energy: 1.0177830507801728
Energy: 0.9707214607698489
Energy: 0.9852908636108872
Energy: 0.9889878086654543
Energy: 0.9776456961006926
Energy: 0.9804764497913537
Energy: 0.9841349187633732

minimum gb energy = 0.9416210537717863 eV
minimum distance =  2.32247485107059 Angstroms
sigma value = 9


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

Energy: 1.456393499270818
Energy: 1.0471623053857377
Energy: 1.0313735330797202
Energy: 1.0238606841866613
Energy: 1.0679423146322837
Energy: 1.0331081898545174
Energy: 1.1501245158091535
Energy: 1.0022219844219142
Energy: 1.001785037442631
Energy: 1.0113643339834149
Energy: 1.002044047107928
Energy: 1.0127834586676194
Energy: 1.0559191949753453
Energy: 1.044021880447211
Energy: 1.0678047196046054
Energy: 1.0491503452685953
Energy: 1.0418674890417914
Energy: 1.0432059136999428
Energy: 1.0227165192971568
Energy: 1.023623413006579
Energy: 1.0218903150369154
Energy: 1.0321599408690405
Energy: 1.028563066271047
Energy: 1.0218336968566453
Energy: 1.0194424855473094
Energy: 1.0021742040213457
Energy: 1.0043473365300684
Energy: 1.019305211401074
Energy: 1.0034301969550714
Energy: 1.0057926675023334
Energy: 1.0170255160790524
Energy: 1.0092691957065945
Energy: 1.0076795400846732
Energy: 1.0124643167936669
Energy: 1.0069342659575111
Energy: 1.00738472625934
Energy: 1.026854398031125
Energy: 1.0636464832434995
Energy: 1.019031728181842
Energy: 1.0009561081426324
Energy: 1.067218770815174
Energy: 1.0184509166084208
Energy: 1.0633576558777165
Energy: 1.0256431519042546
Energy: 1.0116405055605777
Energy: 1.015930091651292
Energy: 1.0295757383230846
Energy: 1.0113488313995882
Energy: 1.1224979119206608
Energy: 1.0011716509167201
Energy: 1.0026670065038994
Energy: 1.048221075060416
Energy: 1.0009370423070205
Energy: 1.0434837261168342
Energy: 1.1216491515182716
Energy: 1.0009290359233107
Energy: 1.0050301284470142
Energy: 1.0573814754492872
Energy: 0.9997855801063961
Energy: 1.0074122422959695
Energy: 1.0638555090927695
Energy: 1.0127743751001905
Energy: 1.0106019603948573
Energy: 0.9984071830966782
Energy: 1.016827468129992
Energy: 1.0093084537108175
Energy: 1.0638424280381915
Energy: 1.0155089999766045
Energy: 1.0131754681050253
Energy: 1.002005846072382
Energy: 1.0129257460089671
Energy: 1.0125503760886185
Energy: 1.1419275167115166
Energy: 1.0417646395766313
Energy: 1.0423752320244033
Energy: 1.0752444756350956
Energy: 1.043500959291577
Energy: 1.064422606292406
Energy: 1.137614314963847
Energy: 1.0496928812823927
Energy: 1.0492614360583068
Energy: 1.0733593643566004
Energy: 1.049002947305233
Energy: 1.0500753564144718
Energy: 1.081238214081719
Energy: 1.0120845630716035
Energy: 1.0102979912213894
Energy: 0.9990435712860539
Energy: 1.0155122443033378
Energy: 1.0066004445354484
Energy: 1.0428075457702781
Energy: 1.062475557347176
Energy: 0.9928597478058658
Energy: 1.0468504271215602
Energy: 1.0474640558018635
Energy: 1.0017030466189327
Energy: 1.0826636985382478
Energy: 1.023623472695971
Energy: 1.0243320591675162
Energy: 1.0534590006218814
Energy: 1.049859064974891
Energy: 1.0261461871625468
Energy: 1.0866546577214748
Energy: 1.046406876426201
Energy: 1.0456372464365151
Energy: 1.0467038855141033
Energy: 1.049077643139748
Energy: 1.0459155689689437
Energy: 1.05416494717708
Energy: 1.014810166269058
Energy: 1.0143633659642382
Energy: 1.0462601564633551
Energy: 1.0276072799921074
Energy: 1.0128672879235063
Energy: 1.055924450060414
Energy: 1.0167364250162274
Energy: 1.0153265383675694
Energy: 1.050669113520935
Energy: 1.021684673873324
Energy: 1.04456414243738
Energy: 1.1071249182792609
Energy: 1.0147308492064995
Energy: 1.0136348801126227
Energy: 1.0303817320375468
Energy: 1.001117376266071
Energy: 1.0138824976424778

minimum gb energy = 0.9928597478058658 eV
minimum distance =  2.24425572343025 Angstroms
sigma value = 27


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

Energy: 1.3120531964829727
Energy: 1.3730942993737354
Energy: 1.1921765173371661
Energy: 1.1949152667223644
Energy: 1.3724995253130963
Energy: 1.1934275849463118
Energy: 1.081219666236076
Energy: 1.007595896906731
Energy: 1.0072668783583467
Energy: 1.0112137292086973
Energy: 1.0077964616439823
Energy: 1.0159159555907729
Energy: 1.0762352314274555
Energy: 0.9787509344933668
Energy: 0.9804430723167571
Energy: 1.0347664536009225
Energy: 0.9686469446907758
Energy: 1.0124910279770625
Energy: 1.0060283743719387
Energy: 0.9760739881374909
Energy: 0.9712703109112273
Energy: 0.9830799136395274
Energy: 0.9766459758749619
Energy: 0.9788464344748217
Energy: 0.9737944280171589
Energy: 0.9659534510374689
Energy: 0.965234615574813
Energy: 0.9745160415669187
Energy: 0.9655840272077401
Energy: 0.9651468258993062
Energy: 1.0086532132617199
Energy: 0.9694414945677666
Energy: 0.9690848106611502
Energy: 0.9802715069282287
Energy: 0.9659167609497666
Energy: 0.9689567411516588
Energy: 1.0442676616327158
Energy: 1.0366847249218603
Energy: 1.0359254135352283
Energy: 0.9672096564492492
Energy: 1.037733511617975
Energy: 1.0352030540701347
Energy: 1.068287229414151
Energy: 0.9833868417264294
Energy: 0.9642622265882169
Energy: 0.9829154633076798
Energy: 0.9834658010277867
Energy: 0.9636521391998328
Energy: 1.1881284920937172
Energy: 0.9700910462597706
Energy: 0.9716157511281501
Energy: 0.9710419928210091
Energy: 0.9812879769269829
Energy: 0.9827099272322883
Energy: 1.1870001662152252
Energy: 1.0047928927573733
Energy: 0.9802753171477745
Energy: 0.9656471401017328
Energy: 1.0056731223696367
Energy: 0.9809510353639742
Energy: 1.0713205059934834
Energy: 0.9638079359499019
Energy: 0.9639635220632189
Energy: 0.9778169674132442
Energy: 0.9749861842109143
Energy: 0.9640866553439035
Energy: 1.0707296160313657
Energy: 0.977537239568556
Energy: 0.977424773795003
Energy: 1.0012312830084378
Energy: 0.9834097535684593
Energy: 0.9778190827684001
Energy: 1.029469434614737
Energy: 1.0977372358673712
Energy: 0.98019974835235
Energy: 0.9898928536389313
Energy: 1.0953602677919037
Energy: 0.9803694362957498
Energy: 1.0644784420709172
Energy: 0.9777041260539703
Energy: 0.9777355791414551
Energy: 0.9926596546207166
Energy: 0.978853409686634
Energy: 0.9778685217462767
Energy: 1.0301853400023782
Energy: 0.9797449835871256
Energy: 0.9798647203534492
Energy: 0.9960390756455237
Energy: 0.9773252170444159
Energy: 0.9808750504014603
Energy: 1.0151592692639015
Energy: 0.9739067042291965
Energy: 0.976257312833041
Energy: 0.9927936310309302
Energy: 0.9829702535081344
Energy: 0.9773149222663238
Energy: 0.9745533016754951
Energy: 0.9791314804866297
Energy: 0.9787607256571033
Energy: 0.9753565308585984
Energy: 0.9756926547427356
Energy: 0.9781277248349284
Energy: 1.013808117703163
Energy: 0.9642873640490766
Energy: 0.9638742888343703
Energy: 0.9706379594026247
Energy: 0.9638126929272415
Energy: 0.9689468379569188
Energy: 1.1213533751108762
Energy: 0.9650325338687789
Energy: 0.9661484206483594
Energy: 0.9644153623461591
Energy: 0.9811909674596463
Energy: 0.9663355627944583
Energy: 1.0528266328262006
Energy: 0.9650977000336338
Energy: 0.9644509555915175
Energy: 0.965491831563851
Energy: 0.9805472487484946
Energy: 0.9650695010406144
Energy: 1.1781659242322675
Energy: 0.9702786962994416
Energy: 0.965979966196123
Energy: 0.9693677402381058
Energy: 0.9796662312677653
Energy: 0.966604310676899
Energy: 0.9664854362864537
Energy: 0.9798550557542556
Energy: 0.9707216104114552
Energy: 0.9672007535836653
Energy: 0.986136815400928
Energy: 0.9690249213617541
Energy: 1.125924903443851
Energy: 0.9965337743809705
Energy: 0.9960635209583966
Energy: 0.9644208910209418
Energy: 0.982227951338461
Energy: 0.9650388715658975
Energy: 1.1260354478019343
Energy: 0.9759084895077007
Energy: 0.9823101288554336
Energy: 0.9725455542666606
Energy: 0.9761996044501352
Energy: 0.9721035701516035
Energy: 1.0190932253336105
Energy: 1.1659810495805085
Energy: 1.1677152931389245
Energy: 0.9720203469403986
Energy: 1.1660647417799281
Energy: 0.9634693592380407

minimum gb energy = 0.9634693592380407 eV
minimum distance =  2.25183474772722 Angstroms
sigma value = 19


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

Energy: 1.430414582728043
Energy: 0.9525317866396443
Energy: 0.9358599535642775
Energy: 0.9226706134568617
Energy: 1.082025906035584
Energy: 0.9526061559714775
Energy: 1.0476052175315829
Energy: 0.9703479135089573
Energy: 0.9427114363770523
Energy: 0.9424219591175238
Energy: 0.9691377701373388
Energy: 0.94251466372023
Energy: 1.0475851626713328
Energy: 0.9383676197456006
Energy: 0.9399926851946436
Energy: 0.938861479911173
Energy: 0.938247163430075
Energy: 0.9405392103540128
Energy: 0.9935462199295715
Energy: 0.9431481722795948
Energy: 0.9429657328023494
Energy: 0.9617587845676926
Energy: 0.9689744747642518
Energy: 0.9426637673330802
Energy: 0.9565490712804846
Energy: 0.9386365415448922
Energy: 0.939828098726632
Energy: 0.9482590259013204
Energy: 0.9388008050327059
Energy: 0.9384407494461432
Energy: 0.980306424482877
Energy: 0.9429642434835132
Energy: 0.9431007625813775
Energy: 0.9571508687537776
Energy: 0.9428135994972714
Energy: 0.9431451560285581
Energy: 1.0708024798399216
Energy: 0.9453450210940406
Energy: 0.9461366140310442
Energy: 1.0452827611673867
Energy: 0.9624825354220864
Energy: 0.9456968942606943
Energy: 1.019355766187278
Energy: 0.9361054357121127
Energy: 0.9427743104801644
Energy: 1.0207154630064406
Energy: 0.9359663450995998
Energy: 0.9427371101062749
Energy: 0.9524472939459071
Energy: 0.9433199029298132
Energy: 0.9432619479637603
Energy: 0.9532476332701051
Energy: 0.9433709813687426
Energy: 0.9426138886276447
Energy: 0.9591110714711669
Energy: 0.958836794046091
Energy: 0.9573295472879241
Energy: 0.9568354582623568
Energy: 0.9575283958206005
Energy: 0.9395100289480469
Energy: 1.059217258618239
Energy: 0.9256301481731485
Energy: 0.9251026353567791
Energy: 0.9321764220645194
Energy: 0.9246694186884826
Energy: 0.926113915553604
Energy: 1.0616005855260735
Energy: 0.9384343792702214
Energy: 0.9237856128264529
Energy: 0.9237134003795222
Energy: 0.9285748969881311
Energy: 0.9240168582606848
Energy: 1.0024266679851903
Energy: 0.9562906023960729
Energy: 0.9466107567133538
Energy: 0.9227062096130249
Energy: 0.9592761182682434
Energy: 0.9857774298138927
Energy: 1.0696109223980368
Energy: 0.9386238172918516
Energy: 0.9384846669937806
Energy: 0.9238919937866176
Energy: 0.9692680610284641
Energy: 0.9444809370333895
Energy: 1.0575447238099889
Energy: 0.9235431537851296
Energy: 0.9231846205325686
Energy: 0.9236755519752182
Energy: 0.9312782239916255
Energy: 0.923177498572307
Energy: 1.0544273445655516
Energy: 0.9322966795445983
Energy: 0.9238350478838272
Energy: 0.9238176757910564
Energy: 0.9235642073889989
Energy: 0.9239101182191267
Energy: 0.9757117933704548
Energy: 0.9486523448625861
Energy: 0.9214216945269776
Energy: 0.9257745797900837
Energy: 0.9235341378860752
Energy: 0.9607754560854957
Energy: 1.0311501706334325
Energy: 0.9235092779961903
Energy: 0.9235390897328319
Energy: 0.9229845216840045
Energy: 0.9244704028535081
Energy: 0.9236665220042355
Energy: 1.0407685654143304
Energy: 0.9216011871037079
Energy: 0.9214432825990764
Energy: 0.9691884019561926
Energy: 0.9237554368429991
Energy: 0.9235354429726594
Energy: 0.9346895515612818
Energy: 0.9214718155787311
Energy: 0.9213344248834292
Energy: 0.9583135576485131
Energy: 0.9237782218195468
Energy: 0.9233740964867588
Energy: 0.9287088631953064
Energy: 0.9236222784180977
Energy: 0.9233636277681664
Energy: 0.932324873635097
Energy: 0.9236781800344839
Energy: 0.9231892593370103
Energy: 0.9275975978021601
Energy: 0.923517801146997
Energy: 0.9232534719761187
Energy: 0.9314586736974022
Energy: 0.9237317362709461
Energy: 0.9231862790659625
Energy: 0.9918809164524691
Energy: 0.9180425908388937
Energy: 0.9178943232184698
Energy: 0.938453804397603
Energy: 0.921215937969002
Energy: 0.950771373940803
Energy: 1.0280572123449947
Energy: 0.9177297104226313
Energy: 0.9248943590678835
Energy: 1.003620315753567
Energy: 0.9246288346650172
Energy: 0.9249667215806827
Energy: 1.0090870720359952
Energy: 0.9237545816517936
Energy: 0.923578767915013
Energy: 0.935374765286901
Energy: 0.9240315659338569
Energy: 0.923503627347107
Energy: 0.9718621419692051
Energy: 0.9238837872067375
Energy: 0.9245141443865953
Energy: 0.9381896900259586
Energy: 0.9240939238299509
Energy: 0.9755194414495292
Energy: 1.050048022741483
Energy: 0.9382880015959345
Energy: 0.9432242284192276
Energy: 0.938943424679009
Energy: 0.9389168826322278
Energy: 0.9389181660299584
Energy: 1.0477321937451076
Energy: 0.9427401845316815
Energy: 0.9422042942681602
Energy: 0.9435677907075448
Energy: 0.9625825177522108
Energy: 0.9422739214980715
Energy: 1.0260345249409146
Energy: 1.0388087210312384
Energy: 0.9426617045779957
Energy: 0.9154005391143719
Energy: 0.977614183801953
Energy: 0.9233680436998131

minimum gb energy = 0.9154005391143719 eV
minimum distance =  2.2598904368681 Angstroms
sigma value = 101


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

Energy: 1.3093626295748895
Energy: 1.0501453955740163
Energy: 1.0603696426306415
Energy: 1.1850586391797584
Energy: 1.075046293979237
Energy: 1.1871331364018052
Energy: 1.0251582017846754
Energy: 0.9170032185944466
Energy: 0.9021104302294114
Energy: 0.8923405928271508
Energy: 0.9078530462239256
Energy: 0.9012809754840085
Energy: 1.0242535135654287
Energy: 0.8930731500211673
Energy: 0.893460111687638
Energy: 0.9283040480494924
Energy: 0.8934148529014264
Energy: 0.8940940900484526
Energy: 0.9480216677209804
Energy: 0.9016260141284371
Energy: 0.901979523555691
Energy: 0.892285920780801
Energy: 0.906750243545099
Energy: 0.8926025912650548
Energy: 0.9055424028510828
Energy: 0.8940168888953177
Energy: 0.894591012682744
Energy: 0.9005718111501425
Energy: 0.9290857515193136
Energy: 0.904207645025611
Energy: 0.9437762641993374
Energy: 0.9199741440193347
Energy: 0.9195292024733541
Energy: 0.9012262284052985
Energy: 0.8926095970108956
Energy: 0.8925605961491119
Energy: 1.0542794992986912
Energy: 0.9005365250585105
Energy: 0.8907836477025626
Energy: 1.0605583930856142
Energy: 0.8880864252669819
Energy: 0.900275827372301
Energy: 0.8994216927440724
Energy: 0.9026314327954834
Energy: 0.9022128136684638
Energy: 0.9525376504457241
Energy: 0.8857699761655543
Energy: 0.9023696203010143
Energy: 0.8935763955377082
Energy: 0.892856480304143
Energy: 0.8925709830076977
Energy: 0.8916748016980167
Energy: 0.8932037051561423
Energy: 0.8952990028001019
Energy: 0.8898400904580028
Energy: 0.8929217505204425
Energy: 0.8932136733423883
Energy: 0.8920495029535084
Energy: 0.8931581554302657
Energy: 0.8935434591030852
Energy: 1.0367045300972113
Energy: 0.8768781114689344
Energy: 0.8769973244095611
Energy: 0.989217494568085
Energy: 0.8785233229114657
Energy: 0.8783950983556259
Energy: 1.0320112867195517
Energy: 0.8926948694806767
Energy: 0.8933596329110749
Energy: 0.8925674154165582
Energy: 0.8927229921666279
Energy: 0.8931889172010786
Energy: 0.9325948318567823
Energy: 0.9057860952810347
Energy: 0.9052870612093086
Energy: 0.884540694986518
Energy: 0.8876316352305842
Energy: 0.9051203064127473
Energy: 0.9320765640135638
Energy: 0.8934903456204374
Energy: 0.8936668685976469
Energy: 0.8921039148434667
Energy: 0.8924680363536438
Energy: 0.8932683835014594
Energy: 1.0255453521572022
Energy: 0.893472076286588
Energy: 0.8936529300270512
Energy: 0.892810732780865
Energy: 0.8908668994172152
Energy: 0.8952756969576778
Energy: 1.0242457020083422
Energy: 0.9069664436454291
Energy: 0.8930184666948137
Energy: 0.9025190109512168
Energy: 0.9011768637512653
Energy: 0.8926301310754771
Energy: 0.953158158879089
Energy: 1.0439897494003914
Energy: 0.9061412287563636
Energy: 0.8665405588506474
Energy: 1.0484678343395915
Energy: 0.8763773269816921
Energy: 1.0573527208080749
Energy: 0.9024162738889608
Energy: 0.9028741272666305
Energy: 0.8998858937035986
Energy: 0.8921121116523159
Energy: 0.9251462813959548
Energy: 1.024126433981811
Energy: 0.8920988093993909
Energy: 0.9016045652890391
Energy: 0.8925817996817441
Energy: 0.8939301049879184
Energy: 0.903450874963787
Energy: 1.0040410506577104
Energy: 0.9013306338203356
Energy: 0.902381405993896
Energy: 0.8923214511265185
Energy: 0.9031482141641604
Energy: 0.9028397556119547
Energy: 0.9078970669049169
Energy: 0.8926748689109901
Energy: 0.8946284024108285
Energy: 0.9014013157168511
Energy: 0.8927776078639574
Energy: 0.9033001548540721
Energy: 0.9478966273419073
Energy: 0.9032573686867948
Energy: 0.9033833035572539
Energy: 0.8993508191897053
Energy: 0.9027803503007913
Energy: 0.9028851037969572
Energy: 1.0742593956030042
Energy: 0.8889161822968197
Energy: 0.8901465249230689
Energy: 1.0748320293971938
Energy: 0.8851040165137362
Energy: 0.8912541559897336
Energy: 1.0549799257014176
Energy: 0.8882575768146918
Energy: 0.8887251083650597
Energy: 1.049586487224654
Energy: 0.8843541408078409
Energy: 0.8927952948993293
Energy: 0.9019094860428786
Energy: 0.903036855024404
Energy: 0.9025013399329103
Energy: 0.9036741484595009
Energy: 0.8925336689901361
Energy: 0.9020396019109438
Energy: 0.8936547744990729
Energy: 0.892934875866975
Energy: 0.8936740903076574
Energy: 0.8885769279645602
Energy: 0.892948674233917
Energy: 0.892798483229761
Energy: 0.994032146752307
Energy: 0.878310915973763
Energy: 0.8783590451174047
Energy: 0.8924008016208108
Energy: 0.8784972644931454
Energy: 0.8778718778716106
Energy: 1.0259241914641706
Energy: 0.8763813068657837
Energy: 0.8765234915360836
Energy: 0.9502360390269768
Energy: 0.8722221293790717
Energy: 0.893064060255035
Energy: 0.9317478651869822
Energy: 0.8927789232869499
Energy: 0.8929773205078939
Energy: 0.8862642287849394
Energy: 0.8928672303347572
Energy: 0.8925743534153834
Energy: 0.932242782507308
Energy: 0.8929613855177464
Energy: 0.893222803931715
Energy: 0.8845953847463464
Energy: 0.8924956408972974
Energy: 0.892925445339848
Energy: 1.0255580643055435
Energy: 0.8916544446803734
Energy: 0.8922934541366694
Energy: 0.8929271004408191
Energy: 0.8889292326166426
Energy: 0.8932575789888084
Energy: 1.0249730922732863
Energy: 0.893034472144557
Energy: 0.9016253694681441
Energy: 0.8928939630239373
Energy: 0.9030293683233964
Energy: 0.9018358488768785
Energy: 0.9534932369264536
Energy: 0.8934819895806289
Energy: 0.9027632088762423
Energy: 0.8667929324659104
Energy: 0.8928684476440939
Energy: 0.9060775207798868

minimum gb energy = 0.8665405588506474 eV
minimum distance =  2.24974464917953 Angstroms
sigma value = 33


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

Energy: 0.01413702694500682
Energy: 0.7617971144657715
Energy: 0.01477323239541057
Energy: 0.015706916400767865
Energy: 0.7638895060611063
Energy: 0.01460887814485
Energy: 0.45021517479156253
Energy: 0.11169833139748402
Energy: 0.11023258606005056
Energy: 0.10955732093027093
Energy: 0.11141722077247436
Energy: 0.11006399661307888
Energy: 1.1055634351284624
Energy: 0.7644088992556336
Energy: 0.7626494168420966
Energy: 0.7609712254773435
Energy: 0.7626450756325033
Energy: 0.7624904721735024
Energy: 0.015418749242500127
Energy: 0.11169833139663304
Energy: 0.11023258605963722
Energy: 0.10955732093027093
Energy: 0.11141722077247436
Energy: 0.11006399661307888

minimum gb energy = 0.01413702694500682 eV
minimum distance =  2.54014717030095 Angstroms
sigma value = 1