Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.608429037034512
cohesive_energy=4.2554470964142315
mass=55.845
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=[1.82683384161948e-19, 2.67023564352342e-19, 3.2946038777932195e-19, 3.80467283099346e-19, 4.23421638656886e-19, 4.60247668589376e-19, 4.92179048904996e-19, 5.200665353964e-19, 5.44528568244312e-19, 5.660361873791279e-19, 5.84953086896766e-19, 6.01572465121248e-19, 6.161827138466939e-19, 6.290497943943479e-19, 6.40196137237086e-19, 6.49737099092556e-19, 6.57815273681184e-19, 6.645556307804219e-19, 6.70060709694846e-19, 6.744202323159599e-19, 6.77706296592294e-19, 6.79984591765842e-19, 6.813127961954279e-19, 6.817437817099739e-19, 6.81280752662748e-19, 6.797875240398599e-19, 6.7708304988166795e-19, 6.72955842872484e-19, 6.67155963457404e-19, 6.59382202429236e-19, 6.4927407004533e-19, 6.36398978614506e-19, 6.20231414200812e-19, 6.00128903974014e-19, 5.753079835600859e-19, 5.4479613174219e-19, 5.07386909514924e-19, 4.6156305560589e-19, 4.05401958054288e-19, 3.36447480080196e-19, 2.5151129018195396e-19, 1.464214806222894e-19, 1.562311274992812e-20, -1.4837982112202759e-19, -3.5591713053656397e-19, -6.21734255883504e-19, -9.688586410526759e-19, -1.436152682478384e-18, -2.09426916536676e-18, -3.0829082791428e-18, -4.70581707878676e-18, -7.6987791616968e-18, -1.407259029060828e-17, -3.0048502335343197e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016472974147132235
Energy: 0.6959828601657934
Energy: 0.017028956569347435
Energy: 0.016713298082619933
Energy: 0.6956426179227742
Energy: 0.0169041509919369
Energy: 0.6959828601661081
Energy: 0.10740917023478372
Energy: 0.10723650733712327
Energy: 0.10720379359797484
Energy: 0.10751669045800225
Energy: 0.10756761311358078
Energy: 0.017028956570256715
Energy: 0.10723650601187999
Energy: 0.10832664816807015
Energy: 0.016952463344790985
Energy: 0.10738188525825156
Energy: 0.10793174987488836
Energy: 0.016713298082340153
Energy: 0.10720379359706556
Energy: 0.016952463344790985
Energy: 0.016715892806863638
Energy: 0.10740512716101668
Energy: 0.016922925365869906
Energy: 0.6956426179233687
Energy: 0.10751669045831701
Energy: 0.10738188525888107
Energy: 0.10740512716042215
Energy: 0.10739865347106439
Energy: 0.10726775750383183
Energy: 0.016904150992881155
Energy: 0.10756761312463205
Energy: 0.10793174987397908
Energy: 0.016922925366779185
Energy: 0.10726775750442635
Energy: 0.01701070497059888

minimum gb energy = 0.016472974147132235 eV
minimum distance =  2.54741420431186 Angstroms
sigma value = 1


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

Energy: 1.7348584865854515
Energy: 0.7870366102938646
Energy: 0.741115818568949
Energy: 0.6903820101663606
Energy: 0.7056286237364675
Energy: 0.751241311518817
Energy: 1.4688213915985269
Energy: 0.7211917917603445
Energy: 0.6740251331205646
Energy: 0.6736687629427979
Energy: 0.8948933018225145
Energy: 0.6737959911691974
Energy: 1.4638395584995816
Energy: 0.7104171122481188
Energy: 0.6811766267477168
Energy: 0.7219243597040955
Energy: 0.7488543395005667
Energy: 0.6818982948849757
Energy: 1.6412289025791829
Energy: 0.6255845600970656
Energy: 0.6892150421688027
Energy: 0.6554141438173032
Energy: 0.7554432292772014
Energy: 0.698887629635945
Energy: 1.5184777420029674
Energy: 0.6612828510387343
Energy: 0.6841442952854071
Energy: 0.6755937392746905
Energy: 0.6600621063617486
Energy: 0.6737540366349044
Energy: 1.442474202120643
Energy: 0.7452136344177105
Energy: 0.7454378475511458
Energy: 0.745539994443139
Energy: 0.7540425289210348
Energy: 0.7405040097098867
Energy: 1.4419433470579395
Energy: 0.7501071814237407
Energy: 0.7388959903975757
Energy: 0.7462120607190307
Energy: 0.7469721147334343
Energy: 0.7489533474793327
Energy: 1.3644260569095121
Energy: 0.7279884326726677
Energy: 0.7532699511412176
Energy: 0.6385574215455082
Energy: 0.7237275743286476
Energy: 0.7553330153561797
Energy: 1.066118525284792
Energy: 0.7494380210696866
Energy: 0.7478869856020831
Energy: 0.7626863718113142
Energy: 0.7462911916462317
Energy: 0.7374603967089981
Energy: 1.0639419038037643
Energy: 0.6812266345167304
Energy: 0.6853576890232883
Energy: 0.6599982772951413
Energy: 0.682089737424025
Energy: 0.6940795384166675
Energy: 1.0363179644311145
Energy: 0.5013673033805565
Energy: 0.6741583526505398
Energy: 0.6716562033715087
Energy: 0.4999999840188505
Energy: 0.6611367595095787
Energy: 0.8983202918539467
Energy: 0.6835414686233866
Energy: 0.6816359141731856
Energy: 0.8946683784803416
Energy: 0.7254608294083501
Energy: 0.6725536210819659
Energy: 0.894964785870272
Energy: 0.6736928414640391
Energy: 0.6787855126415397
Energy: 0.8948798642161377
Energy: 0.6728910379175971
Energy: 0.6631659482854645
Energy: 0.9423054536376915
Energy: 0.732723989049629
Energy: 0.7042027389569033
Energy: 0.6962925586344317
Energy: 0.6161225844107111
Energy: 0.7480863618613897
Energy: 0.9394124523067063
Energy: 0.6826315830632453
Energy: 0.6736534428901101
Energy: 0.7529200895106319
Energy: 0.67652258033171
Energy: 0.694489376688356
Energy: 0.9395345816782442
Energy: 0.7446334113862827
Energy: 0.7462560159163204
Energy: 0.8418873297987689
Energy: 0.7435154499844618
Energy: 0.7453396893629839
Energy: 1.1920626528962504
Energy: 0.7209373444325553
Energy: 0.7143435162104534
Energy: 0.7543431169085498
Energy: 0.7160512405087832
Energy: 0.7546364455473774
Energy: 1.2450308801759762
Energy: 0.7501554469773364
Energy: 0.7483702274986527
Energy: 0.7463379839032643
Energy: 0.7344628833152445
Energy: 0.7462205352734159
Energy: 1.2443028813127883
Energy: 0.7465852854903651
Energy: 0.7464019897363435
Energy: 0.7459318530731347
Energy: 0.7462911210112473
Energy: 0.7382500349152232
Energy: 1.4802206137730685
Energy: 0.7492525650036741
Energy: 0.7401900755709311
Energy: 0.7432961913893593
Energy: 0.7457054366292092
Energy: 0.7587153281493708
Energy: 1.5425205331085514
Energy: 0.7194598181667928
Energy: 0.674386988740543
Energy: 0.677828011673737
Energy: 0.7640061446811083
Energy: 0.6953977517212502
Energy: 1.3781710238719103
Energy: 0.7621131484624952
Energy: 0.7527982865006091
Energy: 0.7382321053575958
Energy: 0.8417376225735821
Energy: 0.7451843897901977
Energy: 1.4991441068138374
Energy: 0.7183674867105959
Energy: 0.6739025414362123
Energy: 0.610391324468061
Energy: 0.7493776893021054
Energy: 0.6734824900003539

minimum gb energy = 0.4999999840188505 eV
minimum distance =  2.3414027170582 Angstroms
sigma value = 33


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

Energy: 2.179293310695195
Energy: 0.6992951632080581
Energy: 0.75521878232396
Energy: 0.8170702871493627
Energy: 0.721429669241866
Energy: 0.8419628755271715
Energy: 1.622036530686258
Energy: 0.7828270649910326
Energy: 0.7607529913066791
Energy: 0.7338290267907961
Energy: 0.7834772263768274
Energy: 0.7939592500749506
Energy: 1.567162755148013
Energy: 0.8109657332741215
Energy: 0.7573019792180365
Energy: 0.8323856278367621
Energy: 0.7834685040435616
Energy: 0.8637524751318907
Energy: 1.5667600820251029
Energy: 0.8582052997163716
Energy: 0.8473372498569652
Energy: 0.8178057163923683
Energy: 0.7769224029799889
Energy: 0.8442037021799356
Energy: 1.5543856363685011
Energy: 0.8709042940051822
Energy: 0.8096053682633227
Energy: 0.8234014478867641
Energy: 0.8819116672594299
Energy: 0.9170333540893597
Energy: 1.5287250472816023
Energy: 0.9658445217884429
Energy: 0.7643550489132743
Energy: 0.9120150002949052
Energy: 0.9713346077347579
Energy: 0.8086239148642577
Energy: 1.5324508720334042
Energy: 0.8338122296567854
Energy: 0.8346900105607948
Energy: 0.9112471001155019
Energy: 0.857313681569779
Energy: 0.8377070988380716
Energy: 1.4419194708793222
Energy: 0.8456656586749414
Energy: 0.8446954506380994
Energy: 0.7553662721179165
Energy: 0.8431314799558902
Energy: 0.8327952249586981
Energy: 1.1549554948382985
Energy: 0.8279360032828645
Energy: 0.8378013395923616
Energy: 0.9143823929733562
Energy: 0.8374252179921239
Energy: 0.8247812466400406
Energy: 1.1427448466408452
Energy: 0.8675345002818993
Energy: 0.865676472684723
Energy: 0.938577051506951
Energy: 0.8401441394011477
Energy: 0.8407922279890608
Energy: 1.066176602793164
Energy: 0.7991838632050657
Energy: 0.8000775909588227
Energy: 0.8231245584477396
Energy: 0.833737394251241
Energy: 0.8179080267671177
Energy: 0.9984035200823456
Energy: 0.8137248152754778
Energy: 0.8641356539986259
Energy: 0.8912050398471532
Energy: 0.8138831287799732
Energy: 0.8700708768063242
Energy: 0.9948723724449761
Energy: 0.8363902216610641
Energy: 0.8483662312739073
Energy: 0.9475818933377534
Energy: 0.8626598016656373
Energy: 0.891573142186485
Energy: 1.184847275675291
Energy: 0.8225946566874703
Energy: 0.8226415100127333
Energy: 0.9244569598739432
Energy: 0.8175006763348637
Energy: 0.8212627568045973
Energy: 1.1151262404106546
Energy: 0.8394971471882082
Energy: 0.8377895345196874
Energy: 0.942203588868807
Energy: 0.8396289270010839
Energy: 0.8418183167090719
Energy: 1.124495943059248
Energy: 0.8756436390658233
Energy: 0.8758356246801315
Energy: 0.9375738954221111
Energy: 0.8230071514648007
Energy: 0.8898855216432663
Energy: 1.4119180750782172
Energy: 0.8636773119756178
Energy: 0.8508386566299517
Energy: 0.838556732382218
Energy: 0.863639370530706
Energy: 0.8340598307821275
Energy: 1.3307882246070022
Energy: 0.8592142600264299
Energy: 0.8529990273169407
Energy: 0.84319099114447
Energy: 0.8820233182987223
Energy: 0.8492621994743114
Energy: 1.3331698451173362
Energy: 0.853961410830627
Energy: 0.8442497507486084
Energy: 0.8373067078515147
Energy: 0.866654936397743
Energy: 0.8605218293109979
Energy: 1.4157079746017136
Energy: 0.8483285517923855
Energy: 0.839466303109231
Energy: 0.7392978426866167
Energy: 0.8357546519074064
Energy: 0.8038238924913134
Energy: 1.6734890926479933
Energy: 0.8438667906673056
Energy: 0.7829434844351669
Energy: 0.7401926244417303
Energy: 0.8948169058868275
Energy: 0.7870196189862572
Energy: 1.61962577648081
Energy: 0.9183881281915124
Energy: 0.80130993113269
Energy: 0.7885073319700328
Energy: 0.8841919472369084
Energy: 0.8010238370242858
Energy: 1.367471481295235
Energy: 0.9164340034295789
Energy: 0.844861691824599
Energy: 0.8365026381727416
Energy: 0.9166739701522052
Energy: 0.8791589576743272
Energy: 1.5664049447184671
Energy: 0.9498997366106061
Energy: 1.0062265912320862
Energy: 0.8337347061966075
Energy: 0.9468370984825908
Energy: 0.8102706621188218
Energy: 1.363529270550376
Energy: 0.9012385315331968
Energy: 0.8397893513425062
Energy: 0.8445546705441969
Energy: 0.9005738251526216
Energy: 0.8483487289142982
Energy: 1.5316284084204639
Energy: 0.9377292292568801
Energy: 0.8909446108999761
Energy: 0.9085674624339637
Energy: 0.9450309535838168
Energy: 0.8806862506683734
Energy: 1.5218910582641183
Energy: 0.841605427501853
Energy: 0.8400398091481239
Energy: 0.8769262329948548
Energy: 0.8398231816171803
Energy: 0.8404640696364318
Energy: 1.4335438472024913
Energy: 0.8450478622668405
Energy: 0.853619927588595
Energy: 0.9185440164250501
Energy: 0.8373991112588168
Energy: 0.9181481314642391
Energy: 1.169936402899728
Energy: 0.845184198701017
Energy: 0.8541518135631143
Energy: 0.9035151969177458
Energy: 0.8376348217894888
Energy: 0.8993837019876181
Energy: 1.1591523961661856
Energy: 0.8725408395630736
Energy: 0.8724854428477754
Energy: 0.8840390303655961
Energy: 0.8707799369558487
Energy: 0.8801790137920465
Energy: 1.2619386194324207
Energy: 0.8347462736810606
Energy: 0.8401936678125113
Energy: 0.8947464755727229
Energy: 0.8047021248535758
Energy: 0.8400486420891383
Energy: 0.9817256120248904
Energy: 0.8137564488496059
Energy: 0.8414794352684796
Energy: 0.9347966735796125
Energy: 0.8138861477018184
Energy: 0.8720806991876086
Energy: 0.9825340971499101
Energy: 0.8438390347065684
Energy: 0.8420753778219201
Energy: 0.9784163184035916
Energy: 0.8401690542456123
Energy: 0.8453760917659726
Energy: 0.9871730511555156
Energy: 0.8225313295561687
Energy: 0.8225909062272121
Energy: 0.9414798453691661
Energy: 0.8415137857355921
Energy: 0.8223142877272015
Energy: 1.1223174292075055
Energy: 0.8467722642338332
Energy: 0.8630433244373038
Energy: 0.759850563854972
Energy: 0.8189802199602971
Energy: 0.839294527853459
Energy: 1.1242184086087728
Energy: 0.9188288151002625
Energy: 0.9200428239190652
Energy: 0.9711225142974967
Energy: 0.9192921893858627
Energy: 0.918020898467862
Energy: 1.383288136906298
Energy: 0.9163539461196667
Energy: 0.8117656593149972
Energy: 0.709882061228044
Energy: 0.8685868487353485
Energy: 0.9064027243260045
Energy: 1.330396924442735
Energy: 0.820055335174826
Energy: 0.8187977154383649
Energy: 0.8433268031039378
Energy: 0.8073542470750945
Energy: 0.8074719304163877
Energy: 1.330447553531205
Energy: 0.8323347049230735
Energy: 0.7908340890214751
Energy: 0.843157035154534
Energy: 0.8403940346847839
Energy: 0.8439911376602034
Energy: 1.6161177557811066
Energy: 0.8812715160170127
Energy: 0.7315323782931986
Energy: 0.7387385702344975
Energy: 0.7794470889625063
Energy: 0.7991343468065931
Energy: 1.6251879383458938
Energy: 0.823240483201207
Energy: 0.7382044352608181
Energy: 0.7397947881653925
Energy: 0.6772419728418644
Energy: 0.7787433408851387

minimum gb energy = 0.6772419728418644 eV
minimum distance =  2.25570381590579 Angstroms
sigma value = 51


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

Energy: 1.7698650513596812
Energy: 0.9064561067359317
Energy: 0.7258227991464758
Energy: 0.6661420524414814
Energy: 0.8828820428026747
Energy: 0.6658783962990286
Energy: 1.4480361510064432
Energy: 0.9115271154323809
Energy: 0.8199445232416328
Energy: 0.871949214072782
Energy: 0.9113741098931366
Energy: 0.7467845484954042
Energy: 1.456954684425074
Energy: 0.911966360862335
Energy: 0.7539208943683904
Energy: 0.7798046916979983
Energy: 0.9122107744761643
Energy: 0.7509765262899885
Energy: 1.4562726864781477
Energy: 0.8411806232696181
Energy: 0.8473473582170052
Energy: 0.6851393768422717
Energy: 0.8069898129758969
Energy: 0.6857156920986432
Energy: 1.4508308938509706
Energy: 0.7402527655492129
Energy: 0.7172802573980921
Energy: 0.7508220591774425
Energy: 0.7827885188864808
Energy: 0.7504771778255718
Energy: 1.1960076410886162
Energy: 0.7713295518123865
Energy: 0.771217342529393
Energy: 0.7381331856181602
Energy: 0.6548239688130106
Energy: 0.783558789267062
Energy: 1.1955877692874064
Energy: 0.6574785776756924
Energy: 0.7812131598183292
Energy: 0.7712850436929066
Energy: 0.6573796541596777
Energy: 0.7836132011764427
Energy: 1.2701260617452361
Energy: 0.8534995486304029
Energy: 0.8633348772785211
Energy: 0.7311914755009337
Energy: 0.7228567459907926
Energy: 0.8366908938968068
Energy: 0.9121824010711258
Energy: 0.8628847722711712
Energy: 0.863311327174377
Energy: 0.9121793608909321
Energy: 0.8628846106156868
Energy: 0.7790428615817767
Energy: 0.9117367876880809
Energy: 0.7476179604648191
Energy: 0.7469767430389013
Energy: 0.9114523358534524
Energy: 0.7780824051515006
Energy: 0.7529829053863566
Energy: 0.924018074782775
Energy: 0.7921908811784906
Energy: 0.7916768578213916
Energy: 0.8408619179346378
Energy: 0.7935792362562457
Energy: 0.7370433374128058
Energy: 0.9915838402634115
Energy: 0.748126942528482
Energy: 0.747996415383122
Energy: 0.8089665263764615
Energy: 0.7506844771380403
Energy: 0.7473677281259219
Energy: 0.9917116237987524
Energy: 0.8639587221159564
Energy: 0.8388686323714349
Energy: 0.8741216296926363
Energy: 0.8636701510991351
Energy: 0.8142274763413878
Energy: 1.085331981383404
Energy: 0.6882930734479458
Energy: 0.6875546099200538
Energy: 0.7153328655758987
Energy: 0.7135325066782856
Energy: 0.6880716851145978
Energy: 1.3069523564766303
Energy: 0.8157457581843359
Energy: 0.8151434955537935
Energy: 0.857605814442862
Energy: 0.814819395316566
Energy: 0.8144415675711456
Energy: 1.3078111671182182
Energy: 0.8098708341431937
Energy: 0.7914743451334506
Energy: 0.6044443113882184
Energy: 0.7829553133296839
Energy: 0.7357750357826958
Energy: 1.4643997939348563
Energy: 0.8091372645792556
Energy: 0.8109715293317863
Energy: 0.8476650288993816
Energy: 0.7832633622257397
Energy: 0.7504722605320924
Energy: 1.6029801955646694
Energy: 0.6445701831144067
Energy: 0.6045564776282571
Energy: 0.7226308351966995
Energy: 0.8088204294121638
Energy: 0.6824487439667651

minimum gb energy = 0.6044443113882184 eV
minimum distance =  2.37659725633335 Angstroms
sigma value = 19


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

Energy: 1.453352764645583
Energy: 0.8946367583812351
Energy: 0.9935722279144947
Energy: 0.9325018982169029
Energy: 0.8414342255878884
Energy: 0.9932124647517255
Energy: 1.4325621083411921
Energy: 0.8404810443710153
Energy: 0.8403660126259765
Energy: 0.9197219145651196
Energy: 0.8406344599398683
Energy: 0.8914890245236952
Energy: 1.4674500549142766
Energy: 0.8407635153190524
Energy: 0.8407733084546548
Energy: 0.942485958141453
Energy: 0.8406859352314298
Energy: 0.892071347780015
Energy: 1.1060216297511307
Energy: 0.9580477840512994
Energy: 0.9585805060927222
Energy: 0.8884611341341471
Energy: 0.9607834707601096
Energy: 0.957727271568678
Energy: 1.431692095998931
Energy: 0.892088828501814
Energy: 0.8919899437250219
Energy: 0.9114635072787963
Energy: 0.8922248637227325
Energy: 0.9190260320874613
Energy: 1.1047467487270661
Energy: 0.820567690733903
Energy: 0.8917369234588806
Energy: 0.9161914328866451
Energy: 0.8206351537385623
Energy: 0.9164072724614287
Energy: 1.1042415273021378
Energy: 0.8848097611468457
Energy: 0.9191730736246849
Energy: 0.9168407626705496
Energy: 0.8839802670266658
Energy: 0.8920404976935935
Energy: 1.1272019550648793
Energy: 0.896689720486344
Energy: 0.8955191118528325
Energy: 0.840317419462511
Energy: 0.8967052801035712
Energy: 0.9054538708188689
Energy: 0.8405712673580596
Energy: 0.9080828412610761
Energy: 0.9057339864284123
Energy: 0.8405440307709932
Energy: 0.8946426105995042
Energy: 0.8753617510155204
Energy: 0.841096722798476
Energy: 0.9196920422722377
Energy: 0.9192185789405237
Energy: 0.8407485755166244
Energy: 0.9420595172796422
Energy: 0.8405177839385837
Energy: 0.8414732137257122
Energy: 0.8864881003045493
Energy: 0.8863668893601488
Energy: 0.8420499110999686
Energy: 0.8874799002747027
Energy: 0.8402252870353889
Energy: 1.1814623552547399
Energy: 0.9192671707376028
Energy: 0.8918460622305102
Energy: 0.8918925264344938
Energy: 0.9419191143937614
Energy: 0.8919993501199527
Energy: 0.8215010088898266
Energy: 0.892183646889769
Energy: 0.8914689362558803
Energy: 0.820556196335709
Energy: 0.9172780675535991
Energy: 0.8742377022476359
Energy: 1.1812661548548478
Energy: 0.916387891462746
Energy: 0.9159826096317848
Energy: 0.9513571561076833
Energy: 0.9166522485029056
Energy: 0.9447955886067211
Energy: 1.3790758067227982
Energy: 0.8915874578708908
Energy: 0.8918767979223545
Energy: 0.8929537579572425
Energy: 0.8918212803091381
Energy: 0.9059825535105555
Energy: 1.3815618421020532
Energy: 0.8923028170619113
Energy: 0.8766719986655761
Energy: 0.896635349289858
Energy: 0.892175728186629
Energy: 0.8956184971923825
Energy: 1.4314498886252116
Energy: 0.8405532356349865
Energy: 0.8404780493112163
Energy: 0.9215788095587049
Energy: 0.8413852164838029
Energy: 0.8914145633561898
Energy: 1.107490977073858
Energy: 0.8408011095533792
Energy: 0.8407552629038715
Energy: 0.887113407441791
Energy: 0.8407800101141979
Energy: 0.8920415579259169
Energy: 1.106939977026778
Energy: 0.892167304334396
Energy: 0.8921171972871854
Energy: 0.8873544377554489
Energy: 0.8404727499831047
Energy: 0.8921251269509233
Energy: 1.3524038887083027
Energy: 0.8204730825866363
Energy: 0.8921788892582366
Energy: 0.912602099440487
Energy: 0.8205939072426774
Energy: 0.8839642043247051
Energy: 1.1046895522685138
Energy: 0.8924146545333417
Energy: 0.9517522773869366
Energy: 0.9160839001057097
Energy: 0.8920943176537787
Energy: 0.9161277097784142
Energy: 1.1041702768041513
Energy: 0.9191591609153072
Energy: 0.9195806677421706
Energy: 0.8918494499102875
Energy: 0.919460920357228
Energy: 0.8915911168583636
Energy: 1.0325874632765513
Energy: 0.8948431750607749
Energy: 0.8950081940989463
Energy: 1.0372171941555433
Energy: 0.8904353802235088
Energy: 0.8954440280045732
Energy: 0.8407054938199693
Energy: 0.9192620695127243
Energy: 0.8915312088094733
Energy: 0.8405863474847207
Energy: 0.906750993432098
Energy: 0.8404881042011432
Energy: 0.8407094067714469
Energy: 0.9193142765745519
Energy: 0.8918825224863314
Energy: 0.8407075803656622
Energy: 0.9427354111357634
Energy: 0.8406878291512541
Energy: 1.225854704239534
Energy: 0.8872526183896559
Energy: 0.8965928598482613
Energy: 0.9579500416637711
Energy: 0.8884239991037721
Energy: 0.9587941977955222
Energy: 1.1834361494051455
Energy: 0.9195361799630495
Energy: 0.9193286640744431
Energy: 0.8925014056329045
Energy: 0.9204713982046315
Energy: 0.8919331582140475
Energy: 0.8204961619193321
Energy: 0.9145372007983328
Energy: 0.9159118227754773
Energy: 0.8204726811261215
Energy: 0.915294270383293
Energy: 0.8916627501127642
Energy: 1.396023135160309
Energy: 0.9167249347540057
Energy: 0.8924313273220892
Energy: 0.8843588930792179
Energy: 0.9157555931987917
Energy: 0.8916805685130931
Energy: 1.3799547459972878
Energy: 0.8414900051691879
Energy: 0.8756131302424576
Energy: 0.8969210113424637
Energy: 0.8405252860279794
Energy: 0.9081766693544584

minimum gb energy = 0.8204726811261215 eV
minimum distance =  2.3170810424591 Angstroms
sigma value = 27


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

Energy: 1.166683409769163
Energy: 0.808886158012279
Energy: 1.0046323340188923
Energy: 0.7233251452784764
Energy: 0.9224816035192277
Energy: 1.0057162250755476
Energy: 1.2673927764381614
Energy: 0.7021329198223905
Energy: 0.7019204944458645
Energy: 0.6258699115494758
Energy: 0.8086019039347361
Energy: 0.5973195633101491
Energy: 1.391257943275613
Energy: 0.8203541742016939
Energy: 0.8188103019871358
Energy: 0.709073229695109
Energy: 0.8106583252531802
Energy: 0.5964285867555242
Energy: 1.388205351680605
Energy: 0.771125245056538
Energy: 0.8841533540065801
Energy: 0.5954216438583315
Energy: 0.7877821286683147
Energy: 0.7793874121240986
Energy: 1.0907408415667763
Energy: 0.8341183174222901
Energy: 0.5970477806628115
Energy: 0.5955165638615725
Energy: 0.8370796369789939
Energy: 0.5950121194384576
Energy: 0.8915700738695527
Energy: 0.7204632677473167
Energy: 0.6532828157742924
Energy: 0.8914249306930254
Energy: 0.7302700783146632
Energy: 0.6660173775770712
Energy: 0.8119544284569395
Energy: 0.5949586908701225
Energy: 0.5956790256985882
Energy: 0.8102674558593074
Energy: 0.5952684050165102
Energy: 0.811553577266838
Energy: 0.9967846734203697
Energy: 0.6612089868087118
Energy: 0.6614277725540343
Energy: 0.9967173835477229
Energy: 0.6727715379641411
Energy: 0.6883486105043112
Energy: 0.9560308362998333
Energy: 0.5968539250766173
Energy: 0.595330704236142
Energy: 0.7038106752413351
Energy: 0.7099393771978424
Energy: 0.5944890551058682
Energy: 0.7739514764736626
Energy: 0.6840532152142316
Energy: 0.6851137528740341
Energy: 0.7038770915433852
Energy: 0.7074062902413204
Energy: 0.5953271290289135
Energy: 0.9559366116977138
Energy: 0.7763662664328232
Energy: 0.7764478662630218
Energy: 0.8145758528199221
Energy: 0.7747774167261698
Energy: 0.6606034466328731
Energy: 1.0951225379884153
Energy: 0.5953391077797819
Energy: 0.5944289339570832
Energy: 0.6271111551617586
Energy: 0.8133247643463197
Energy: 0.5946454942541599

minimum gb energy = 0.5944289339570832 eV
minimum distance =  2.4027508805721 Angstroms
sigma value = 9


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

Energy: 0.849044924965527
Energy: 0.8727129130210076
Energy: 0.6185064724759124
Energy: 0.8811880156235788
Energy: 0.8074903574943121
Energy: 0.9438378245958751
Energy: 0.9671336310897771
Energy: 0.6215350953141743
Energy: 0.639106985575698
Energy: 0.5991278122297531
Energy: 0.6678638469433136
Energy: 0.598330054461203
Energy: 1.0738673136062253
Energy: 0.6257444645926385
Energy: 0.5870980842408138
Energy: 0.6465966669790626
Energy: 0.6706870201253048
Energy: 0.5607287161368967
Energy: 1.0731256339886144
Energy: 0.6355931917381075
Energy: 0.6334729797114061
Energy: 0.6292261006979467
Energy: 0.6629754928767617
Energy: 0.6324129070953616
Energy: 0.8630950630597333
Energy: 0.5909232024457589
Energy: 0.5280595937470343
Energy: 0.6558534500686272
Energy: 0.5961152600084912
Energy: 0.5816975739296096
Energy: 0.740674866142402
Energy: -0.22727271375653413
Energy: 0.5302264582294032
Energy: 0.7391526631661438
Energy: 0.6276270053368243
Energy: 0.5190583990405737
Energy: 0.6425766869817104
Energy: 0.5618331027599133
Energy: 0.577407120147965
Energy: 0.6437458570474357
Energy: 0.5588811339049167
Energy: 0.6627711800922804
Energy: 0.7057306147773733
Energy: 0.6639579408014534
Energy: 0.6272239088411175
Energy: 0.7054434353875422
Energy: 0.6199244241781673
Energy: 0.6296334295843194
Energy: 0.7971001938141882
Energy: 0.5994725674398763
Energy: 0.540770412176793
Energy: 0.6476198121667359
Energy: 0.6270908908660173
Energy: 0.5646333490396068
Energy: 1.2575365604924995
Energy: 0.7179254974621635
Energy: 0.7161422484980152
Energy: 0.8060496127613256
Energy: 0.7316544002311767
Energy: 0.6853824523107876
Energy: 1.2490706533855676
Energy: 0.6489918921443599
Energy: 0.5910984647227859
Energy: 0.6610429687403508
Energy: 0.6432352769048846
Energy: 0.6025365423467842
Energy: 0.961393759673678
Energy: 0.6410670124839716
Energy: 0.6565037560695994
Energy: 0.5854357859566504
Energy: 0.6419703606998086
Energy: 0.6021603288639042
Energy: 1.0471851167653576
Energy: 0.8658458052911082
Energy: 0.6390949464207439
Energy: 0.6654342339471575
Energy: 0.681992511844349
Energy: 0.7317261214839832
Energy: 0.9625815705137185
Energy: 0.6291924965551019
Energy: 0.6016471257335219
Energy: 0.5625042035698645
Energy: 0.6451218907373669
Energy: 0.5908504308802062
Energy: 0.6704359552922007
Energy: 0.5988863574983188
Energy: 0.5894244598243389
Energy: 0.6689473255885158
Energy: 0.5820513995939368
Energy: 0.6494745066037582
Energy: 0.6700550375493848
Energy: 0.6058800162207633
Energy: 0.5974511222789
Energy: 0.6707728044280156
Energy: 0.6440493743449249
Energy: 0.5830750216807874
Energy: 0.6677048564555979
Energy: 0.5486995297433207
Energy: 0.5533422171365469
Energy: 0.6676858325813215
Energy: 0.5905799086927106
Energy: 0.5971558688092569
Energy: 0.7854431533278154
Energy: 0.4663806506434978
Energy: 0.5524464941139904
Energy: 0.7036405398354022
Energy: 0.6006425515813967
Energy: 0.5701245126485877
Energy: 0.8281090085334478
Energy: 0.6044271116827548
Energy: 0.6033136989532978
Energy: 0.6586443837433225
Energy: 0.6088608945411808
Energy: 0.5983440619327304
Energy: 0.7876653330277208
Energy: 0.5991939852042208
Energy: 0.5990280212496232
Energy: 0.6589570757241778
Energy: 0.6526803839998303
Energy: 0.5958473391254772
Energy: 0.9678170460115281
Energy: 0.6084959257904958
Energy: 0.5959484793133579
Energy: 0.6130759957303225
Energy: 0.6592388750031899
Energy: 0.598211577016211
Energy: 0.8187104372647812
Energy: 0.6393693185463042
Energy: 0.6616743323026122
Energy: 0.5595109846169048
Energy: 0.18286084662238025
Energy: 0.5313777640161252
Energy: 0.9188557002333241
Energy: 0.6177412936430465
Energy: 0.578538991995349
Energy: 0.5621923166216289
Energy: 0.6679594717871262
Energy: 0.5767556981813432
Energy: 0.9686040105038055
Energy: 0.6219323409922529
Energy: 0.5692489074161442
Energy: 0.637709099258647
Energy: 0.6698574359245274
Energy: 0.5968652949290578
Energy: 1.0747954814072227
Energy: 0.6254732500175857
Energy: 0.668512003635694
Energy: 0.1247400005737046
Energy: 0.72306149793522
Energy: 0.6482724128074588
Energy: 0.9699952156301884
Energy: 0.5725681793275521
Energy: 0.5855052004571213
Energy: 0.6491695658841891
Energy: 0.5683319842385406
Energy: 0.5898123030856791
Energy: 1.0247512799999223
Energy: 0.6309057047068043
Energy: 0.6306440296269495
Energy: 0.9235128184605684
Energy: 0.555572033953991
Energy: 0.8017494660783542
Energy: 0.6416219152307922
Energy: 0.5612845510726888
Energy: 0.5585025310001533
Energy: 0.6416665853606917
Energy: 0.5953907387478766
Energy: 0.6282579978992955
Energy: 0.6434734579766752
Energy: 0.5658021812673093
Energy: 0.5665059471398958
Energy: 0.6435460480918803
Energy: 0.6279673382836964
Energy: 0.5882877452350385
Energy: 0.673217995876731
Energy: 0.6465282392832197
Energy: 0.6272911164451691
Energy: 0.8122944112020615
Energy: 0.6184400096542847
Energy: 0.6286091667407608
Energy: 1.2487974546927134
Energy: 0.6087430834538319
Energy: 0.5911522653159886
Energy: 0.6591284459372041
Energy: 0.6041940280936362
Energy: 0.5975405377785239
Energy: 1.2520689022483034
Energy: 0.7731317025697654
Energy: 0.7712033156513743
Energy: 0.6182590461948474
Energy: 0.8546156238277731
Energy: 0.6854405487240642
Energy: 0.9643640616645324
Energy: 0.6419362112283401
Energy: 0.6648502972688006
Energy: 0.6452494961838493
Energy: 0.6449716881680558
Energy: 0.6013535488788908
Energy: 1.039454242635797
Energy: 0.7284914082135467
Energy: 0.6837515283602756
Energy: 0.5917545629103867
Energy: 0.8095269700690224
Energy: 0.6290866964974798
Energy: 1.0874500671353886
Energy: 0.6292768112350505
Energy: 0.5966606376772762
Energy: 0.6285504646381956
Energy: 0.6112610226282924
Energy: 0.5996095261943167
Energy: 0.7222438090917203
Energy: 0.5801798973626073
Energy: 0.6326474573108728
Energy: 0.6714459040806945
Energy: 0.6183709015555465
Energy: 0.6334672679554142
Energy: 0.7243471714831514
Energy: 0.5541314370949839
Energy: 0.5592283379843768
Energy: 0.7260208779260235
Energy: 0.6431556016264843
Energy: 0.6609717039466553
Energy: 0.6678170299743799
Energy: 0.6046299757403117
Energy: 0.6049663848582292
Energy: 0.667656694918159
Energy: 0.5984700656353393
Energy: 0.6407521362725186
Energy: 0.543499540383092
Energy: 0.6872784680094061
Energy: 0.729632206967338
Energy: 0.5430572947048536
Energy: 0.69516015030659
Energy: 0.7276478283584776
Energy: 0.8278140105604993
Energy: 0.5995132056534033
Energy: 0.6014740105696075
Energy: 0.6674819883653865
Energy: 0.6033301866920232
Energy: 0.5985962033744948
Energy: 0.786037006057842
Energy: 0.5992875557379167
Energy: 0.5993815267795838
Energy: 0.6533517027168768
Energy: 0.6056956867263688
Energy: 0.5994171360387548
Energy: 0.8276891081643168
Energy: 0.5976470790472143
Energy: 0.60041818889795
Energy: 0.6285156760454463
Energy: 0.6581552506910872
Energy: 0.5985971801436925
Energy: 0.9621633912880562
Energy: 0.5984252207581885
Energy: 0.5967071380865713
Energy: 0.5927536942436857
Energy: 0.6214638836883675
Energy: 0.576591754391511

minimum gb energy = -0.22727271375653413 eV
minimum distance =  2.38593595418542 Angstroms
sigma value = 57


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

Energy: 0.33480306432014806
Energy: 0.35589758080425077
Energy: 0.33657854144887184
Energy: 0.3375437268955482
Energy: 0.34933541642345695
Energy: 0.33397510922257817
Energy: 0.4161127608240403
Energy: 0.348511241305042
Energy: 0.34337352341375715
Energy: 0.3732743519365416
Energy: 0.3531117835946093
Energy: 0.34203680626763544
Energy: 0.41710491697250185
Energy: 0.3607376158683271
Energy: 0.34840771976800133
Energy: 0.3569170817545372
Energy: 0.3751486004104675
Energy: 0.342988818362951
Energy: 0.41730939988595434
Energy: 0.3814069344616028
Energy: 0.3501986151999226
Energy: 0.3539717464952925
Energy: 0.38152358480447385
Energy: 0.3426734399866169
Energy: 0.41421505123787505
Energy: 0.33797939546291683
Energy: 0.33556820604547266
Energy: 0.37921732370922984
Energy: 0.33550492535097554
Energy: 0.34889854119882896
Energy: 1.1318209184814068
Energy: 0.3351760827635425
Energy: 0.33729037824096175
Energy: 0.356749299196809
Energy: 0.3351971620456582
Energy: 0.33741616590202395
Energy: 0.3712669205912477
Energy: 0.34813561670118126
Energy: 0.3472940244860912
Energy: 0.37208369520880924
Energy: 0.3494144592630874
Energy: 0.34754810220805904
Energy: 0.830761309594157
Energy: 0.34882078471922534
Energy: 0.34791704522601047
Energy: 0.8304629634006236
Energy: 0.3535758598477238
Energy: 0.3846334552760837
Energy: 0.4136068544036047
Energy: 0.3495833377175457
Energy: 0.34857625164910083
Energy: 0.3756700802238959
Energy: 0.36068093163562936
Energy: 0.3472134885778372
Energy: 0.33541531112531486
Energy: 0.35138244286667314
Energy: 0.3349023323572205
Energy: 0.3352551858477104
Energy: 0.37762001896231295
Energy: 0.3380052436094885
Energy: 0.3353073442161705
Energy: 0.35007698669252335
Energy: 0.34923407913553284
Energy: 0.33519878023630273
Energy: 0.35462657173735335
Energy: 0.3372072580949059
Energy: 0.41514426454943737
Energy: 0.35970555811781896
Energy: 0.34174168304822516
Energy: 0.35022941799304913
Energy: 0.37411431335892004
Energy: 0.34156563628022507
Energy: 0.41739685551831984
Energy: 0.8441321017756058
Energy: 0.8444137281049489
Energy: 0.3561836409313041
Energy: 0.8399347314330229
Energy: 0.8449976069023166
Energy: 0.4142063125951065
Energy: 0.37255605880525006
Energy: 0.350183092818036
Energy: 0.3787788302012073
Energy: 0.3783906636596101
Energy: 0.3424452065453289
Energy: 1.1551537705818493
Energy: 0.33721200090094894
Energy: 0.33451016922390664
Energy: 0.36908758504770955
Energy: 0.33859421648327287
Energy: 0.33593283425501363
Energy: 0.3734701229547472
Energy: 0.3440793314182428
Energy: 0.342865719226192
Energy: 0.36694012475404225
Energy: 0.3406850342247293
Energy: 0.3432352949849917
Energy: 0.3749360192034227
Energy: 0.3436267017143829
Energy: 0.35001773187032315
Energy: 0.37498622617320465
Energy: 0.3602975092014016
Energy: 0.34784478724035417
Energy: 0.4165310393242172
Energy: 0.34869819777489497
Energy: 0.34737951030318326
Energy: 0.4214364081875457
Energy: 0.35327773309193733
Energy: 0.3516884657318342
Energy: 0.3354183600485093
Energy: 0.34904940849109073
Energy: 0.3482234208658756
Energy: 0.33546904319734805
Energy: 0.3502398643776039
Energy: 0.3485297723181451

minimum gb energy = 0.33397510922257817 eV
minimum distance =  2.41650645785223 Angstroms
sigma value = 11


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

Energy: 0.6672333567453548
Energy: 1.014271719427461
Energy: 0.9213582325658247
Energy: 0.8749436956868667
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Energy: 0.07259187495823516
Energy: 0.03240127657209153
Energy: 0.7121608120727
Energy: 0.19596925563832707
Energy: 0.6460735986144643

minimum gb energy = -0.18584440185734433 eV
minimum distance =  2.3473660472612 Angstroms
sigma value = 41


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

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Energy: 0.25900642782536615
Energy: 0.835906613328355

minimum gb energy = -0.9150640599388575 eV
minimum distance =  2.31212407680197 Angstroms
sigma value = 33


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

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Energy: -0.30786943914241804
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Energy: 1.0091763041275987
Energy: -0.2941316493267034
Energy: 0.7067118546766198
Energy: 1.0081356909498915

minimum gb energy = -1.5206674528361863 eV
minimum distance =  2.36631500764194 Angstroms
sigma value = 67


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

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Energy: -0.44720910918670076
Energy: 0.5989978897876808
Energy: 0.6006865916652515
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Energy: -0.3869750485715657
Energy: 0.49333277318173996
Energy: 0.46598610007096297

minimum gb energy = -0.8552478320995667 eV
minimum distance =  2.39705397992679 Angstroms
sigma value = 3


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

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Energy: 0.35347305558874553

minimum gb energy = -1.9870463224483934 eV
minimum distance =  2.37590343347112 Angstroms
sigma value = 81


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

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Energy: -0.15033679383714896
Energy: 0.7963447452359216

minimum gb energy = -1.2676145636581595 eV
minimum distance =  2.2279910471273 Angstroms
sigma value = 43


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

Energy: 1.1131564830490113
Energy: 0.9161197725922718
Energy: 0.7985174360802054
Energy: 0.8532647709342933
Energy: 0.9156930594322641
Energy: 0.7666691637720177
Energy: 0.6707727954764087
Energy: 0.13066502460479504
Energy: 0.5169484721368546
Energy: -0.00714470251838884
Energy: 0.28963320643540447
Energy: 0.36480913783795704
Energy: 0.19595412518343272
Energy: 0.35741601320467126
Energy: 0.149956071374822
Energy: 0.481982872950854
Energy: 0.3573593391623714
Energy: 0.4664160775288807
Energy: 0.42486169862202866
Energy: 0.35703293074401937
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Energy: -0.8914804206899721
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Energy: -0.3355330629383815
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Energy: -0.25896632494960353
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Energy: 0.19893265594910853
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Energy: 0.29461370145402577
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Energy: 0.3380428467660884
Energy: 0.3263880879906152
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Energy: -0.7852049408779579
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Energy: 0.6889707984847407
Energy: -0.018332671447782903
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Energy: 0.46876790820481573
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Energy: -0.38560456139664895
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Energy: 0.49516726050046955
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Energy: 0.5855952509081446
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Energy: -0.7854757974222337
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Energy: -0.7058733354030208
Energy: -0.7860583251593934
Energy: -0.3724713356812449
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Energy: -0.786121286879177
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Energy: -0.7860443170217644
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Energy: -0.7861716195005584
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Energy: -0.7862227197881331
Energy: -0.2555696946170641
Energy: -0.03775861140262478
Energy: 0.3712600062125907
Energy: 0.5530181826191356
Energy: -0.14103781598909007
Energy: -0.31443224432417705
Energy: 0.1633538428423884
Energy: 0.4251133156608804
Energy: -0.7861052255264447
Energy: 0.7794816178134434
Energy: 0.42509713788466147
Energy: -0.06286028227461782
Energy: 0.491826398962105
Energy: 0.7285821870786858
Energy: 0.6302900817149224
Energy: 0.6205632280835406
Energy: 0.5217954426352118
Energy: 0.7656894712845685
Energy: 0.6168536649945869

minimum gb energy = -0.9412927948422305 eV
minimum distance =  2.31636334396377 Angstroms
sigma value = 57


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

Energy: 0.7873622944130071
Energy: 0.7906272359057306
Energy: 0.7707604734890852
Energy: 0.37035080205664206
Energy: 0.7904662531610953
Energy: 0.7670190102028139
Energy: 0.6775595707027208
Energy: 0.4804209913092214
Energy: 0.3455180289155951
Energy: 0.5008505649435158
Energy: 0.4602464995195743
Energy: 0.31243882646334703
Energy: 0.2256208798956616
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Energy: -0.8970628358935199
Energy: 0.13978649484994063
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Energy: -0.8968091045172928
Energy: 0.5513186616739797
Energy: -0.8973959149715108
Energy: -0.8974413605455274
Energy: 0.5512525516129928
Energy: -0.8969271311713778
Energy: 0.3459440889758404
Energy: 0.4933864640146002
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Energy: -1.0807830231885045
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Energy: -0.9279847993723082
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Energy: -1.0807811635495217
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Energy: 0.30346583077786043
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Energy: 0.3095777606701251
Energy: 0.3861740221612709
Energy: -1.081069673761527
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Energy: -1.0806903191700739
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Energy: -1.0806997360110886
Energy: -1.0808694427995837
Energy: -1.0821688767013924
Energy: 0.3864230987148964
Energy: -1.0807150730957717
Energy: 0.6182424874963591
Energy: 0.20471746980091526
Energy: -0.1790175189088471
Energy: 0.28286190830622937
Energy: 0.7393249375335444
Energy: -0.14967982188124146
Energy: 0.5615081707774991
Energy: -0.0899771113023836
Energy: -0.1794320121098613
Energy: 0.5695841502844771
Energy: -0.09084802238910879
Energy: -0.2639108952196732
Energy: 0.6468296673452284
Energy: -0.2537971317870238
Energy: -0.27415559691688723
Energy: 0.6471618075413388
Energy: -0.23646915563188026
Energy: 0.3469717472447452
Energy: 0.7941476846830294
Energy: -0.04929420727361669
Energy: 0.5088633460626828
Energy: 0.7935490478328698
Energy: -0.04938968997367308
Energy: 0.5339582652335327
Energy: 0.6793920022078351
Energy: -0.2745475037434907
Energy: -0.2734330873018323
Energy: 0.6462085529825133
Energy: -0.21804153935273402
Energy: 0.3128374843363337
Energy: 0.7374794193648762
Energy: 0.2553419401946183
Energy: 0.5145081974083854
Energy: 0.5724828072200432
Energy: -0.026430372729496228
Energy: 0.5113694256119424

minimum gb energy = -1.0821688767013924 eV
minimum distance =  2.39861151912901 Angstroms
sigma value = 17


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

Energy: 0.9394663610205966
Energy: 0.4421263574768165
Energy: 0.6342612151773124
Energy: 0.30344472912343984
Energy: 0.5531818806076277
Energy: 0.43380037950639
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Energy: -0.6351289515137792
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Energy: -0.636668115632944
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Energy: 0.04872698016856825
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Energy: 0.083127742947591
Energy: 0.6658317838972375
Energy: 0.441900391624641
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Energy: 0.06344408696065221
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Energy: -0.4466260328738642
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Energy: 0.8466266924663584
Energy: 0.2508939007524548
Energy: 0.4692000351182059
Energy: 0.8467442946928815
Energy: 0.2518365852723556
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Energy: 0.7050459271050188
Energy: -0.17396078049363248
Energy: 0.2879060353312352
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Energy: 0.06179460866138219
Energy: 0.425561757412627
Energy: 0.2394853238416384
Energy: 0.0627099050804368
Energy: 0.412929232736397

minimum gb energy = -0.63744527988931 eV
minimum distance =  2.38513972111973 Angstroms
sigma value = 17


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

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Energy: 0.4214516366573192
Energy: 0.3528939487779759
Energy: -0.37501829725919666
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Energy: -0.3700385869134957
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Energy: 0.22575543656709698
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Energy: -0.3525065436288072
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Energy: 0.7680511111013805
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Energy: -0.23086015139424707
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Energy: 0.020083320088471694
Energy: 0.2034883576522072
Energy: 0.7822196215270364
Energy: -0.5073328173601913
Energy: 0.06444512031037995
Energy: 0.3662691706790415
Energy: -0.50685229322367
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Energy: 0.7850482231013897
Energy: 0.15611201095174748
Energy: 0.17094431468189542
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Energy: 0.0898004890518738
Energy: -0.26117818100660173
Energy: 0.0481204960090933
Energy: 0.3383986162204819

minimum gb energy = -0.5816439248812045 eV
minimum distance =  2.36375608645938 Angstroms
sigma value = 57


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

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Energy: 0.3285751201886464
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Energy: -0.5432522681354021
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Energy: 0.5719915152414258
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Energy: -0.5292715591077841
Energy: 0.5270767906671194
Energy: -0.6023182146538009
Energy: 0.6390068126090495
Energy: -0.06297462562635243
Energy: 0.004027265514987184
Energy: -0.5226557388164924
Energy: 0.43333184461741353
Energy: -0.03383429448845484
Energy: 0.8511290770076121
Energy: -0.5894646714955374
Energy: 0.03461728498937901
Energy: -0.4336479144656675
Energy: -0.5888116141052605
Energy: 0.09644890911059661
Energy: 0.7278089496354885
Energy: -0.6028117957277297
Energy: -0.5874154735850635
Energy: 0.3279694274294186
Energy: -0.5850631620973092
Energy: -0.3384439129606125
Energy: 0.8965560632684464
Energy: -0.019858582967538098
Energy: -0.35621939363999905
Energy: 0.45564583219401456
Energy: -0.019192481950337157
Energy: 0.020143313515548468
Energy: 0.529513069202299
Energy: 0.2477841870073167
Energy: -0.530764028682872
Energy: -0.5668266749881684
Energy: 0.2241510972915458
Energy: -0.6016431930122691

minimum gb energy = -0.6154191751137944 eV
minimum distance =  2.30874052256609 Angstroms
sigma value = 43


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

Energy: 0.44859464890854167
Energy: 0.19070656784496173
Energy: 0.30554908570748396
Energy: 0.09218263114640952
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Energy: 0.1333752147244044
Energy: 0.36691017001186466
Energy: 0.1339644534439962
Energy: 0.049892735166041244

minimum gb energy = -0.39553230260536787 eV
minimum distance =  2.38245666895841 Angstroms
sigma value = 81


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

Energy: -0.07472530586463332
Energy: -0.0732684243616655
Energy: -0.07396981953579851
Energy: -0.07251446328279008
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Energy: -0.07412519207351585
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Energy: -0.040744587063364
Energy: -0.0743675304686038
Energy: -0.07429294917937687
Energy: -0.0408807085332613
Energy: -0.07435956642534801
Energy: -0.04028361782807625
Energy: -0.07311964036885478
Energy: -0.07386657895207847
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Energy: -0.07156591950993148
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Energy: -0.04086703226244904
Energy: -0.07419373103033669
Energy: -0.04096292960401773
Energy: -0.04079466887708822

minimum gb energy = -0.07472530586463332 eV
minimum distance =  2.52363698540911 Angstroms
sigma value = 3


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

Energy: 0.4050584576000443
Energy: 0.28348056706716046
Energy: 0.265780951216645
Energy: 0.2378535544480444
Energy: 0.25376769697072254
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Energy: 0.25619232142690623
Energy: 0.34643099081966666
Energy: 0.27547545070956747
Energy: 0.34810809490937167
Energy: 0.4346354393047727
Energy: 0.27091832760977835
Energy: 0.39570797376233807
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Energy: 0.23335834597687333
Energy: 0.24036778002269113
Energy: 0.4590318672112685
Energy: 0.23076862258828187
Energy: 0.27199328539618217
Energy: 0.461909051750472
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Energy: 0.29346955702099364
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Energy: 0.2905766203519167
Energy: 0.24062107949763106
Energy: 0.2929638887273363
Energy: 0.2780816322947632
Energy: 0.2894799534498708
Energy: 0.28305148167777666
Energy: 0.3039845869427588
Energy: 0.29092168593679624
Energy: 0.2839169002446624
Energy: 0.4352519466520634
Energy: 0.2859133730722702
Energy: 0.130962270881038
Energy: 0.30428478578893176
Energy: 0.3028027781731506
Energy: 0.4185084394375829
Energy: 0.29281996596926585
Energy: 0.3236297121561751
Energy: 0.39839944775254316
Energy: 0.30157627705184725
Energy: 0.2998272190038571
Energy: 0.4003527464628398
Energy: 0.301471635024474
Energy: 0.280003317290717
Energy: 0.34922632405062193
Energy: 0.08624500164144451
Energy: 0.3003421924909395
Energy: 0.28057089373385113
Energy: 0.09938206219330002
Energy: 0.2910857629894265
Energy: 0.3039483003047797
Energy: 0.04198290640861126
Energy: 0.3036129726478569
Energy: 0.28341244935760107
Energy: 0.04212958460791386
Energy: 0.3048113881160809
Energy: 0.2999907957864662
Energy: 0.2684039049200081
Energy: 0.2664802783219225
Energy: 0.3008008779728798
Energy: 0.2717195681569295
Energy: 0.2679727095397997
Energy: 0.30517336503164866
Energy: 0.301894374451652
Energy: 0.30780897173304717
Energy: 0.2676578515182167
Energy: 0.30851192872144545
Energy: 0.30584645694406726
Energy: 0.2636589726481983
Energy: 0.30392494055258906
Energy: 0.30879722827017
Energy: 0.2624749244271407
Energy: 0.2991623906345139
Energy: 0.2612300990461332
Energy: 0.2612122582683605
Energy: 0.2878596031464713
Energy: 0.28400208120275816
Energy: 0.2610481430793979
Energy: 0.3993731146928185
Energy: 0.2987836072114981
Energy: 0.20287289791909277
Energy: 0.306476128038901
Energy: 0.2980709992541831
Energy: 0.40647937055320643
Energy: 0.3099437155634594
Energy: 0.4157568020958707
Energy: 0.30952250368442186
Energy: 0.26055032030609215
Energy: 0.2580940964178866
Energy: 0.3083662527167138
Energy: 0.26127812183351434
Energy: 0.2615519039056535
Energy: 0.3097633983467988
Energy: 0.301429356714551
Energy: 0.30907652952994813
Energy: 0.30966144037829746
Energy: 0.306652950902345
Energy: 0.3113849580194631
Energy: 0.28061776487040047
Energy: 0.3024619515235728
Energy: 0.2832212940125861
Energy: 0.2685070157266786
Energy: 0.303860745420027
Energy: 0.2697500900390106
Energy: 0.3016296887859148
Energy: 0.42612734352168374
Energy: 0.3365089629696054
Energy: 0.30202278157239465
Energy: 0.4084432393343503
Energy: 0.3364460783514274
Energy: 0.33013860850363463
Energy: 0.39172757522654406
Energy: 0.4033986521936795
Energy: 0.4086069602456459
Energy: 0.3937857164825095
Energy: 0.4152565864117542
Energy: 0.2931719145835846
Energy: 0.2798695714546262
Energy: 0.280602036474079
Energy: 0.2933118193755366
Energy: 0.337729238007148
Energy: 0.2762685123263831
Energy: 0.29236463407780705
Energy: 0.2962921558251439
Energy: 0.2964832516930762
Energy: 0.2917868350047705
Energy: 0.3837125216664471
Energy: 0.3005707122767573
Energy: 0.3666435654280679
Energy: 0.29683860221477054
Energy: 0.29700523040935195
Energy: 0.366976077475146
Energy: 0.2994970534056357
Energy: 0.28477296377987293
Energy: 0.3229674330812389
Energy: 0.36476572027061155
Energy: 0.3645960112924538
Energy: 0.2857447899227844
Energy: 0.3641637581650941
Energy: 0.3645137843062085
Energy: 0.34031927289298397
Energy: 0.3684566850295108
Energy: 0.357628326972724
Energy: 0.42693308416239295
Energy: 0.4623369791574118
Energy: 0.39251917692767574
Energy: 0.3000706296800997
Energy: 0.2993811716848327
Energy: 0.29888440545060374
Energy: 0.30112490765150973
Energy: 0.47520697633641934
Energy: 0.31011543441461153
Energy: 0.2778983598725096
Energy: 0.34393370267470236
Energy: 0.28158414882452637
Energy: 0.41867250586034566
Energy: 0.3680877448301522
Energy: 0.28239276412195075
Energy: 0.37409703167089153
Energy: 0.2845610757546603
Energy: 0.2886228562891221
Energy: 0.3529632602923432
Energy: 0.27087032454245585
Energy: 0.2531578529547476
Energy: 0.3330282005900524
Energy: 0.39826056179601294
Energy: 0.40641344649634586
Energy: 0.2509435117309333
Energy: 0.3985725433839109
Energy: 0.2546975664494687

minimum gb energy = 0.04198290640861126 eV
minimum distance =  2.35402124637953 Angstroms
sigma value = 67


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

Energy: 0.6102787550044189
Energy: 0.3003180224242243
Energy: 0.013727733221487374
Energy: 0.6273602513199964
Energy: 0.3192237633641903
Energy: 0.01776337669958462
Energy: 0.6868656649846933
Energy: 0.512806105117167
Energy: 0.48161162781065636
Energy: 0.4985353716310369
Energy: 0.5138104039408623
Energy: 0.33626687828443885
Energy: 0.5128334294753439
Energy: 0.032784326722506155
Energy: 0.26081279901172544
Energy: 0.49058719215769514
Energy: 0.032539673731254756
Energy: 0.26005823465996153
Energy: 0.6750022931698919
Energy: 0.2617225656236401
Energy: 0.2600592351542503
Energy: 0.6498296961568323
Energy: -0.0019361964658754303
Energy: 0.26037670475454416
Energy: 0.6681388237862472
Energy: 0.3242402870431536
Energy: 0.3287648694564861
Energy: 0.5764246356288121
Energy: 0.5023809778761896
Energy: 0.32699113990558276
Energy: 0.004715140086525037
Energy: 0.325275375295204
Energy: 0.29218156164390974
Energy: 0.38938925794237483
Energy: 0.3239212915216402
Energy: 0.2946938429236823
Energy: 0.6219868999618431
Energy: 0.3182981540634086
Energy: 0.31830651423307077
Energy: 0.6227521993446017
Energy: 0.321674665667482
Energy: 0.3593935699406908
Energy: 0.6179378976208788
Energy: 0.3335226171524323
Energy: 0.3332271506573214
Energy: 0.6179926246550839
Energy: 0.4149592950740455
Energy: 0.36026924243378167
Energy: 0.37268480843765617
Energy: 0.3883343754524079
Energy: 0.35258446466688204
Energy: 0.4136456337208389
Energy: 0.45200561464314465
Energy: 0.3828336252899666
Energy: 0.3866171978803332
Energy: 0.43648510300919136
Energy: 0.44774055321104944
Energy: 0.38418722621398577
Energy: 0.5203632970844769
Energy: 0.4467542677163622
Energy: 0.3480364251154832
Energy: 0.41307645823905464
Energy: 0.418711460455072
Energy: 0.4254203286113911
Energy: 0.4092307830067958
Energy: 0.41833363288128333
Energy: 0.4313358114247603
Energy: 0.44593031574976966
Energy: 0.43947186168564223
Energy: 0.43210964388296874
Energy: 0.42313646770626434
Energy: 0.43012033901205127
Energy: 0.4105562381804344
Energy: 0.42732633773837647
Energy: 0.43299297020985944
Energy: 0.41050067665020823
Energy: 0.4148815271858531
Energy: 0.431749662859064
Energy: 0.3623132476067028
Energy: 0.3560471757927959
Energy: 0.43463026880712885
Energy: 0.42271083298472517
Energy: 0.4169879628607347
Energy: 0.4359148306617538
Energy: 0.4189367290149642
Energy: 0.42797682543228016
Energy: 0.45448309256252406
Energy: 0.4179753290729704
Energy: 0.4289811159975055
Energy: 0.45432114656745837
Energy: 0.4063424773312633
Energy: 0.39694841863359803
Energy: 0.4296484894549126
Energy: 0.4445393841115401
Energy: 0.37952127004619457
Energy: 0.4411608123844077
Energy: 0.5115046024713381
Energy: 0.39346545274017436
Energy: 0.42553364424519285
Energy: 0.5120551968303536
Energy: 0.41464040454500334
Energy: 0.4243992523389376
Energy: 0.5211484026824204
Energy: 0.35880446420708123
Energy: 0.36057065540095007
Energy: 0.5208936911467449
Energy: 0.40370642495638726
Energy: 0.4113709900907673
Energy: 0.4611414441614068
Energy: 0.3460952446372934
Energy: 0.34975267410061534
Energy: 0.42883611025378693
Energy: 0.35019720649534636
Energy: 0.34667796617747143
Energy: 0.5470519823682207
Energy: 0.4085879351411388
Energy: 0.36688871365828235
Energy: 0.45025469133781765
Energy: 0.6278855526049568
Energy: 0.3636530655749334
Energy: 0.5516535287324473
Energy: 0.3015817637697642
Energy: 0.3011263635399967
Energy: 0.5203072316205426
Energy: 0.13620589746034914
Energy: 0.3016779947486294
Energy: 0.5085521133359138
Energy: 0.26962586211103207
Energy: 0.30749239368551856
Energy: 0.4900929468535432
Energy: 0.31225945208498396
Energy: 0.3043609994309466
Energy: 0.6416356770507979
Energy: 0.5118944411074335
Energy: 0.5064521987706588
Energy: 0.6443578421735856
Energy: 0.49892042473732934
Energy: 0.3279074038718484

minimum gb energy = -0.0019361964658754303 eV
minimum distance =  2.34461259646898 Angstroms
sigma value = 33


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

Energy: 0.16433357703803397
Energy: 0.45970948027633507
Energy: 0.44677620293593684
Energy: 0.5649882845165068
Energy: 0.46727614602306083
Energy: 0.4543328446708035
Energy: 0.8255694833576548
Energy: 0.6050686564441728
Energy: 0.5075706056421784
Energy: 0.6271222236483918
Energy: 0.6336161720075
Energy: 0.4955809084616793
Energy: 0.8252288892919569
Energy: 0.49005634944453536
Energy: 0.47015336073917835
Energy: 0.6281240662870585
Energy: 0.520491471645457
Energy: 0.4575786109261559
Energy: 0.6326048229405286
Energy: 0.49194114052997784
Energy: 0.4382865849240704
Energy: 0.6312560057520583
Energy: 0.4197685170325022
Energy: 0.45648801967929775
Energy: 0.6324624826238002
Energy: 0.5005598427652032
Energy: 0.49969249713418756
Energy: 0.638251053989301
Energy: 0.6332752520916409
Energy: 0.49406571129705157
Energy: 0.45184594742298584
Energy: 0.5071663628474754
Energy: 0.505988585273
Energy: 0.5416159931232769
Energy: 0.5044985709238042
Energy: 0.5300353081253041
Energy: 0.7303452312280432
Energy: 0.5090682820636144
Energy: 0.49786373474198387
Energy: 0.7302986178899659
Energy: 0.5155046503006994
Energy: 0.5506096519419705
Energy: 0.726760463630325
Energy: 0.5927729920036566
Energy: 0.563089326995576
Energy: 0.7268595785682472
Energy: 0.5924284002186684
Energy: 0.5576061204113969
Energy: 0.5669245335452193
Energy: 0.5781702890326356
Energy: 0.563046432026677
Energy: 0.5586499349362868
Energy: 0.5291733812179689
Energy: 0.5644699688917442
Energy: 0.5705924101885128
Energy: 0.5987897509476022
Energy: 0.6036082526190817
Energy: 0.5647026791036
Energy: 0.5699114671795967
Energy: 0.5912319422439931
Energy: 0.5374544563137671
Energy: 0.5685467551066327
Energy: 0.5883022959296738
Energy: 0.5857740418716557
Energy: 0.5901535973990029
Energy: 0.5799980155634742
Energy: 0.631147803790526
Energy: 0.5960832774473431
Energy: 0.5800849431592843
Energy: 0.6311489056685847
Energy: 0.5584134872153828
Energy: 0.5805860152752091
Energy: 0.6358493125855574
Energy: 0.5537070366117709
Energy: 0.5680329625870029
Energy: 0.6351876301543086
Energy: 0.5544716601942559
Energy: 0.581484739917239
Energy: 0.4852556401968138
Energy: 0.5624084164151415
Energy: 0.5660563343629346
Energy: 0.5815624594222333
Energy: 0.5567017129279209
Energy: 0.5697401486509461
Energy: 0.5203816579063197
Energy: 0.5774619058370536
Energy: 0.5735494598891548
Energy: 0.5474017003888938
Energy: 0.7313372107749163
Energy: 0.5561678002995494
Energy: 0.6928505114860126
Energy: 0.5503533719765022
Energy: 0.5074729377941368
Energy: 0.6408460417006805
Energy: 0.47027869914448
Energy: 0.6437909783948755
Energy: 0.8261922882845906
Energy: 0.5803828260945569
Energy: 0.5419319884097273
Energy: 0.6261574093281542
Energy: 0.5785196700470009
Energy: 0.5001542649178192
Energy: 0.8244654022071862
Energy: 0.6004733167037661
Energy: 0.52179517997554
Energy: 0.628071662436822
Energy: 0.644440276381133
Energy: 0.5724323241153821
Energy: 0.386943313332448
Energy: 0.622689509372349
Energy: 0.45233064752250646
Energy: 0.5288869705203966
Energy: 0.622448684907271
Energy: 0.44631010396757653
Energy: 0.7467204584023989
Energy: 0.6050379415933024
Energy: 0.6050672900951688
Energy: 0.49555481321563555
Energy: 0.6322781969296482
Energy: 0.4943888618108537
Energy: 0.8247646683887305
Energy: 0.5208219888679652
Energy: 0.4361760586395551
Energy: 0.6300143409573835
Energy: 0.4789648447679056
Energy: 0.4579008497956661
Energy: 0.628256700496134
Energy: 0.4885396260891658
Energy: 0.4707615762164453
Energy: 0.6283646884737736
Energy: 0.47425652503675275
Energy: 0.4553437019155442
Energy: 0.7759444118443619
Energy: 0.5057635860778154
Energy: 0.5003985908398891
Energy: 0.7259185965914037
Energy: 0.6357662982666987
Energy: 0.49656200597822253
Energy: 0.4517883956871683
Energy: 0.5008387050286884
Energy: 0.5041086842617487
Energy: 0.5337695829849973
Energy: 0.4991428907356294
Energy: 0.5206370827820483
Energy: 0.7249784603219003
Energy: 0.4973753982057883
Energy: 0.49766520430199696
Energy: 0.7246696713036772
Energy: 0.5099213675566159
Energy: 0.5027287240879731
Energy: 0.7268626250684557
Energy: 0.5924040432062343
Energy: 0.5636687600274582
Energy: 0.7268269730538669
Energy: 0.5987634112952692
Energy: 0.5752166473047554
Energy: 0.5684341197064217
Energy: 0.570823006907917
Energy: 0.5630679880394245
Energy: 0.5538601861925265
Energy: 0.5330592902310727
Energy: 0.5630496036182345
Energy: 0.5712667961423658
Energy: 0.601782880664656
Energy: 0.5936632639378976
Energy: 0.5603901770750204
Energy: 0.6458847424065669
Energy: 0.5889698487504749
Energy: 0.5350942900525579
Energy: 0.5365040662572301
Energy: 0.5893630993598606
Energy: 0.5871940607094267
Energy: 0.5864259809927918
Energy: 0.5815474678638027
Energy: 0.6318980383137249
Energy: 0.591760961884386
Energy: 0.5767341427932141
Energy: 0.6312033775542465
Energy: 0.5611774919869145
Energy: 0.5822296355082915
Energy: 0.6413281096829634
Energy: 0.5656172851677836
Energy: 0.5658259348318755
Energy: 0.6416600945289341
Energy: 0.5637574236206118
Energy: 0.5922074450382038
Energy: 0.48315115280324317
Energy: 0.573659684960363
Energy: 0.5703864694949364
Energy: 0.5716874372811601
Energy: 0.5583100847970989
Energy: 0.5689983180851949
Energy: 0.532653423528397
Energy: 0.5789357191647313
Energy: 0.5745263189920236
Energy: 0.47341633589044185
Energy: 0.66886505600249
Energy: 0.5757555743458174
Energy: 0.6899226991569529
Energy: 0.5026101939985863
Energy: 0.5240901632478304
Energy: 0.6420072929164897
Energy: 0.6092090571192307
Energy: 0.6417416576705872
Energy: 0.8273331121338791
Energy: 0.581016813143675
Energy: 0.5417615941391686
Energy: 0.6236506062578511
Energy: 0.565121768219588
Energy: 0.49275708224841475
Energy: 0.8303680568658772
Energy: 0.6442802817979429
Energy: 0.5208214803994021
Energy: 0.6379339271619744
Energy: 0.6315516821023673
Energy: 0.5158623334833804
Energy: 0.3964147312430207
Energy: 0.6238613668186568
Energy: 0.4540092296989703
Energy: 0.5150695622968411
Energy: 0.623689914569632
Energy: 0.4249818398938625

minimum gb energy = 0.16433357703803397 eV
minimum distance =  2.34580717576506 Angstroms
sigma value = 41


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

Energy: 0.7513664144267568
Energy: 0.7625769094272179
Energy: 0.7997049666358316
Energy: 0.7828955148263811
Energy: 0.743032792726296
Energy: 0.8018378880424863
Energy: 0.9114572154960966
Energy: 0.8844670004165501
Energy: 0.8745902051073597
Energy: 0.8555709371021153
Energy: 0.8619675516114682
Energy: 0.854967868538452
Energy: 1.076247423999421
Energy: 0.7742818694870599
Energy: 0.7720960323674352
Energy: 0.8569161554023955
Energy: 0.7685297489391008
Energy: 0.76990251393259
Energy: 0.9132748621559943
Energy: 0.7765829729139492
Energy: 0.7739354600001215
Energy: 0.8785363119273962
Energy: 0.7488641878469816
Energy: 0.8653274708116626
Energy: 0.7556849588426937
Energy: 0.8246772874041755
Energy: 0.8255869788822849
Energy: 0.8421306556771816
Energy: 0.8518219823156422
Energy: 0.8094560613227166
Energy: 0.7574120251622235
Energy: 0.8053032354106017
Energy: 0.806456339471283
Energy: 0.7950896428548455
Energy: 0.7996014934998247
Energy: 0.8061342567911369
Energy: 0.9201032081123043
Energy: 0.8477992327849453
Energy: 0.8509092040058038
Energy: 0.9209667899732235
Energy: 0.8225378603853951
Energy: 0.8483981132721912
Energy: 0.9000419830666417
Energy: 0.813781543375943
Energy: 0.8101848965104018
Energy: 0.8978682836096544
Energy: 0.8147157065011189
Energy: 0.7968208146891183
Energy: 0.7906760147766914
Energy: 0.820348553870975
Energy: 0.8190808084270815
Energy: 0.7929782181352738
Energy: 0.8494368102003984
Energy: 0.819153930956639
Energy: 0.786258692499809
Energy: 0.8595036871115432
Energy: 0.8132815454209684
Energy: 0.7957481732142193
Energy: 0.869453708573105
Energy: 0.8127049725005328
Energy: 0.7882261298901868
Energy: 0.831774833021804
Energy: 0.8489651989180482
Energy: 0.8170994835751002
Energy: 0.8521323345117857
Energy: 0.8501564336158822
Energy: 1.0132728526443326
Energy: 0.7755255166426218
Energy: 0.7740516144614333
Energy: 0.8408159823097012
Energy: 0.8167101815885374
Energy: 0.7744169999390086
Energy: 1.0151146240886273
Energy: 0.883887919101935
Energy: 0.8683712132120996
Energy: 0.8806231683446981
Energy: 0.8660408283028334
Energy: 0.8485991823801995
Energy: 0.7034415281475455
Energy: 0.8564759562750136
Energy: 0.7723755238273895
Energy: 0.7585970825818052
Energy: 0.8468922882240001
Energy: 0.7745053448209933

minimum gb energy = 0.7034415281475455 eV
minimum distance =  2.35515943669512 Angstroms
sigma value = 11


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

Energy: 0.9120277329731378
Energy: 1.2712033681856072
Energy: 1.012520295606815
Energy: 0.9597592645444403
Energy: 1.0547657506029444
Energy: 0.9801295580333644
Energy: 1.2312957204443145
Energy: 0.8767758835927724
Energy: 0.8793938469512892
Energy: 0.9098908236346396
Energy: 0.8842857098555527
Energy: 0.9378646247714467
Energy: 1.2471764813537716
Energy: 0.9238600222099971
Energy: 0.9134194908182356
Energy: 1.0823437601401142
Energy: 0.9216457078916104
Energy: 0.9293010659740663
Energy: 0.9684118758652996
Energy: 0.9142895240596187
Energy: 0.9102239580209267
Energy: 0.9175533076664496
Energy: 0.962592759510723
Energy: 0.9125122268980518
Energy: 0.9940438310803202
Energy: 0.9096223209569152
Energy: 0.9115257592386317
Energy: 0.9110154208616786
Energy: 0.964102589286104
Energy: 0.9142295064462362
Energy: 0.9709646067891006
Energy: 0.9359654403311666
Energy: 0.9011826210398372
Energy: 0.9088992727705699
Energy: 0.928838839602952
Energy: 0.952595513067141
Energy: 0.9938606410455246
Energy: 0.9158921483789283
Energy: 0.9152027223707407
Energy: 0.9181820371754719
Energy: 0.9453424995894271
Energy: 0.9004793243319105
Energy: 1.0485481568754471
Energy: 0.9155814363239522
Energy: 0.9143287185828993
Energy: 0.9277003891282876
Energy: 0.9100896434971982
Energy: 0.916066224924769
Energy: 0.9505627847019661
Energy: 0.9102081388183486
Energy: 0.908286695472959
Energy: 0.9669018977626331
Energy: 0.9100435696007333
Energy: 0.9099195679232014
Energy: 0.9450302535754004
Energy: 0.9122841021878628
Energy: 0.9126222704728836
Energy: 0.9680874050495686
Energy: 0.9101326208229884
Energy: 0.9095490607766389
Energy: 1.046890470348653
Energy: 0.9172926377807538
Energy: 0.9103936430846246
Energy: 0.9124285331021812
Energy: 0.9024514597403199
Energy: 0.8879150260425837
Energy: 0.9385539140983503
Energy: 0.9344147016858816
Energy: 0.9174309415478875
Energy: 0.8816050058871142
Energy: 0.928592432166625
Energy: 0.9256457606755484
Energy: 0.9691699265920811
Energy: 0.9151861002882756
Energy: 0.9111697450520889
Energy: 0.8926357485222469
Energy: 0.9171795037667045
Energy: 0.9360639761155264
Energy: 0.9370900309864995
Energy: 0.9190776443356976
Energy: 0.9329604134333003
Energy: 0.9131206376082189
Energy: 0.9571748768086371
Energy: 0.9194259430822007
Energy: 0.9919594354265305
Energy: 0.9190519225538993
Energy: 0.9225101314458595
Energy: 0.9462497950116019
Energy: 0.9160414752920142
Energy: 0.9226447519217319
Energy: 0.9867908847990765
Energy: 0.9203478571571554
Energy: 0.9217714756509744
Energy: 0.9556402758685226
Energy: 0.9172560638764193
Energy: 0.9352947375700283
Energy: 1.0100558532271873
Energy: 0.9197699602218726
Energy: 0.9193026121576859
Energy: 0.9184185370429476
Energy: 0.9169935972044884
Energy: 0.9173950404328601
Energy: 0.9188117750563098
Energy: 0.9186797803816125
Energy: 0.9715867074812413
Energy: 0.9452966408400394
Energy: 0.7927641960603277
Energy: 0.8979046713853177
Energy: 1.0225506348249072
Energy: 0.9180380897103654
Energy: 0.9197954980459483
Energy: 0.927494352133477
Energy: 0.9246692767010342
Energy: 0.9202198856331972
Energy: 0.9416994913578499
Energy: 0.9212652183817256
Energy: 0.9212521669208997
Energy: 0.9141042920275005
Energy: 0.9221690047053408
Energy: 0.8957980902537112
Energy: 1.1528841244666088
Energy: 0.9076268059219578
Energy: 0.898802966656433
Energy: 1.0295098303490309
Energy: 0.9234538658164677
Energy: 0.9096456435704344
Energy: 0.9942285135211674
Energy: 0.9088136832576023
Energy: 0.909634406938484
Energy: 0.914923525534441
Energy: 0.9133994125350259
Energy: 0.9105360876968908
Energy: 0.9331432118419122
Energy: 0.9056849777579723
Energy: 0.910810370733459
Energy: 0.9186976241030383
Energy: 0.8985982874483858
Energy: 0.9153360264830355
Energy: 1.1542617873590497
Energy: 0.9625722035618527
Energy: 0.9456986001423118
Energy: 0.8961326174094436
Energy: 0.9629697620322639
Energy: 0.9207075955243236
Energy: 0.9796239196585038
Energy: 0.9171396118276116
Energy: 0.9179411945382291
Energy: 0.9528854685264619
Energy: 0.9111244942220077
Energy: 0.9007694628690599
Energy: 1.0049419885928488
Energy: 0.967581409565409
Energy: 0.9499769247977077
Energy: 0.9158270621366816
Energy: 0.9767116454861235
Energy: 0.9189789423540419
Energy: 1.005990617479454
Energy: 0.9387157472884808
Energy: 0.9369517431128306
Energy: 0.9163937645569428
Energy: 0.9570713690979908
Energy: 0.9358928773923691
Energy: 1.003548886533014
Energy: 0.8944697537042502
Energy: 0.9203670204359974
Energy: 0.9159451828391638
Energy: 0.9350278773778568
Energy: 0.9216710544944791
Energy: 1.1810279010859628
Energy: 0.9202611361619351
Energy: 0.9202864222543664
Energy: 1.0010593684924656
Energy: 0.904471653614448
Energy: 0.9191567070249944
Energy: 1.2454854809634897
Energy: 0.9044676642378493
Energy: 0.8919487074351735
Energy: 0.9192058941800959
Energy: 0.9063750984493186
Energy: 0.9189005892451826
Energy: 0.874280976625211
Energy: 0.9037566807155978
Energy: 0.9155923941810901
Energy: 0.9192233379699422
Energy: 0.9040626134770879
Energy: 0.9451423134512047

minimum gb energy = 0.7927641960603277 eV
minimum distance =  2.31374257888843 Angstroms
sigma value = 57


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

Energy: 1.8287515296718522
Energy: 1.099802159505683
Energy: 1.0864938779195736
Energy: 1.0899074894565526
Energy: 1.1002614690820123
Energy: 1.0848785535320686
Energy: 1.244318497572178
Energy: 1.0910527671954557
Energy: 1.0928581982324534
Energy: 1.1030338993668
Energy: 1.0987015308960653
Energy: 1.0935389124150883
Energy: 1.2500324418975783
Energy: 1.0448278395444455
Energy: 1.0452091862170183
Energy: 1.0993748387008644
Energy: 1.050526291426055
Energy: 1.0989948675790677
Energy: 1.1226358024691108
Energy: 1.0573332392183763
Energy: 1.0929232746843893
Energy: 1.1005520036969096
Energy: 1.0502240627160782
Energy: 1.0953047158730047
Energy: 1.1225382381378848
Energy: 1.0983924672262726
Energy: 1.0735962307149862
Energy: 1.1103886076039773
Energy: 1.0988431335748134
Energy: 1.073417471995489
Energy: 1.1201029627125918
Energy: 1.0925479032344736
Energy: 1.0897483305912339
Energy: 1.054896461587788
Energy: 1.0895755863980312
Energy: 1.0893785145750883
Energy: 1.1417581277155786
Energy: 1.038258359613307
Energy: 1.039578622750255
Energy: 1.1127115035992698
Energy: 1.038048430915197
Energy: 1.0897264346301965
Energy: 1.2442533021122237
Energy: 1.0902090228008061
Energy: 1.0529017979459825
Energy: 1.099873943594431
Energy: 1.0965554576570942
Energy: 1.0760003155788365
Energy: 1.1235931525269853
Energy: 1.099531206606937
Energy: 1.0506383842140987
Energy: 1.0507796278527988
Energy: 1.0997752289561324
Energy: 1.0506228583658113
Energy: 1.1240112629065553
Energy: 1.099243597201571
Energy: 1.0507012453077855
Energy: 1.0506394988393208
Energy: 1.0996667312060935
Energy: 1.0508197071168817
Energy: 1.2435365945766008
Energy: 1.0839712123603134
Energy: 1.0595385011441036
Energy: 1.0994922301800532
Energy: 1.0841684140912784
Energy: 1.0926492379414985
Energy: 1.1218678818564878
Energy: 1.044485444684031
Energy: 1.0442995221073623
Energy: 1.0990751470113138
Energy: 1.0450515680272168
Energy: 1.0987124614068555
Energy: 1.123169913229959
Energy: 1.0868586155776903
Energy: 1.0880500954777896
Energy: 1.0889482255082952
Energy: 1.0878608185500158
Energy: 1.0893755650440862
Energy: 1.121760816773087
Energy: 1.1043330810945773
Energy: 1.0735490292003702
Energy: 1.0746636535846579
Energy: 1.110593952831511
Energy: 1.0734631204583298
Energy: 1.136043067597065
Energy: 1.0550851785598088
Energy: 1.053193753860936
Energy: 1.0892753037996081
Energy: 1.046360166538816
Energy: 1.0527379167783266
Energy: 1.249791822252298
Energy: 1.0706889705107938
Energy: 1.073745731731555
Energy: 1.1061512959140996
Energy: 1.0464964314179281
Energy: 1.0754960020021138
Energy: 1.1232273316975707
Energy: 1.0973790099020613
Energy: 1.0921630828028803
Energy: 1.1056263803157151
Energy: 1.0990332247468841
Energy: 1.0936553032690752

minimum gb energy = 1.038048430915197 eV
minimum distance =  2.2860356292923 Angstroms
sigma value = 9


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

Energy: 1.2573365651738102
Energy: 1.0076331743459044
Energy: 1.135764343766738
Energy: 1.0181272919858049
Energy: 1.0476119225245264
Energy: 1.1975207801583598
Energy: 1.3152980676968156
Energy: 1.005578930002507
Energy: 1.0857354036880866
Energy: 1.021541761552396
Energy: 1.002427731053742
Energy: 1.0879690061024045
Energy: 1.088450221555456
Energy: 1.022705038800891
Energy: 1.0975277240297518
Energy: 1.0160156157772668
Energy: 1.0259608179056923
Energy: 1.098612981844221
Energy: 1.0308800983104678
Energy: 1.0787268867371902
Energy: 1.0770134288238176
Energy: 1.0572006185628908
Energy: 1.0652618755854169
Energy: 1.0773973305372277
Energy: 1.0554103615564348
Energy: 1.0095951905486698
Energy: 0.9709661832289909
Energy: 1.0455160819275449
Energy: 1.0170205284324956
Energy: 0.9847840505578067
Energy: 1.0629774463084938
Energy: 1.057663058377197
Energy: 1.0247525123882915
Energy: 1.0117350050208678
Energy: 1.0203897685911976
Energy: 1.0153727893077642
Energy: 1.0729854363571616
Energy: 1.0305714808879392
Energy: 1.0199725431309041
Energy: 1.0364872456414995
Energy: 1.026848515848224
Energy: 1.003494454820017
Energy: 1.196388386635927
Energy: 1.0267991029829995
Energy: 1.01688817326001
Energy: 0.9990466977206734
Energy: 1.0170965208961469
Energy: 1.0295094683526513
Energy: 1.2212746402578059
Energy: 0.9880133286704426
Energy: 1.0211217107666468
Energy: 1.033794384105133
Energy: 0.9985176581491136
Energy: 1.0244363121425049
Energy: 1.2144643679763307
Energy: 0.9882360882399076
Energy: 1.0560954386986667
Energy: 1.034516562737976
Energy: 0.9884811790637315
Energy: 0.9867545636549491
Energy: 1.1892279574517697
Energy: 1.0328674729891527
Energy: 1.0321145368443345
Energy: 1.0219807916287742
Energy: 1.035490554931358
Energy: 1.0317296256130493
Energy: 1.099169349378924
Energy: 1.079586270051779
Energy: 1.0457694664015869
Energy: 1.0034516362195713
Energy: 1.0516717326252498
Energy: 1.0594618657146582
Energy: 1.0510562896889444
Energy: 1.0255771627179446
Energy: 1.1001027067334013
Energy: 1.0295520521216641
Energy: 1.0342543153471593
Energy: 1.1259708887676778
Energy: 1.289653400951873
Energy: 1.0793541567183802
Energy: 1.0765726625335073
Energy: 1.0340105059882072
Energy: 1.0828195510174947
Energy: 1.075045772695372
Energy: 1.1002980221052818
Energy: 1.027167687212456
Energy: 1.027345463765639
Energy: 0.9754290711688772
Energy: 1.0203207530053438
Energy: 1.050718564957769
Energy: 1.0709290884221843
Energy: 1.0252275589401563
Energy: 1.0244349720410189
Energy: 1.0357036412416125
Energy: 1.0274678640822887
Energy: 1.0191153387325211
Energy: 1.1087042816207062
Energy: 1.1309682932475082
Energy: 1.07364693133931
Energy: 1.02912566359708
Energy: 1.1349341066839187
Energy: 1.0812047413583636
Energy: 1.1654761308947246
Energy: 1.0918275218725446
Energy: 1.0600957982806394
Energy: 1.063529664502217
Energy: 1.019291903264382
Energy: 1.0598399713670303
Energy: 1.0275548332987008
Energy: 1.031774875190317
Energy: 1.029991527604344
Energy: 1.1074092613738318
Energy: 1.077090447619568
Energy: 1.034276394683829
Energy: 1.0908053613432558
Energy: 1.0312673224281839
Energy: 1.0298013226010718
Energy: 1.038375209197963
Energy: 1.0325693360996924
Energy: 1.0317779727522778
Energy: 1.1955589303178062
Energy: 0.9651912938966013
Energy: 1.0222394535713022
Energy: 1.008880552187595
Energy: 0.935780726879497
Energy: 1.0777584864738121

minimum gb energy = 0.935780726879497 eV
minimum distance =  2.28987786714654 Angstroms
sigma value = 27


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

Energy: 2.017200090883087
Energy: 1.1015558400198138
Energy: 1.0873509953421796
Energy: 1.0353272309512518
Energy: 0.9888756979776129
Energy: 1.0875668755840124
Energy: 1.3321079298609906
Energy: 1.079420522289427
Energy: 1.083299667521708
Energy: 1.1507177893004727
Energy: 1.140854661131845
Energy: 1.072299169970157
Energy: 1.241275417188348
Energy: 1.024638808388254
Energy: 1.0224005096162652
Energy: 1.14050502957678
Energy: 1.0266997011797903
Energy: 0.9542806098234506
Energy: 1.2428288087323438
Energy: 1.054010711094094
Energy: 1.0949559967921303
Energy: 1.1461734173521188
Energy: 1.0553512225886252
Energy: 1.0969332625907928
Energy: 1.234037378735867
Energy: 1.0110489995172869
Energy: 1.0040700581426556
Energy: 1.01441574746016
Energy: 1.0121088747255498
Energy: 1.0044867393307308
Energy: 1.129394857670757
Energy: 1.0778138781303193
Energy: 1.0750742272870846
Energy: 1.0641557991859967
Energy: 1.0762873599489138
Energy: 1.074111549357231
Energy: 1.1754416831806636
Energy: 1.0703405422089578
Energy: 1.0698372392329207
Energy: 1.0761025292385686
Energy: 1.0685132231978327
Energy: 1.0788653014816143
Energy: 1.179244271693847
Energy: 1.0719946022416107
Energy: 1.0960239900114046
Energy: 1.0994081426788234
Energy: 1.0743152025960798
Energy: 1.0800432424520814
Energy: 1.319872534502219
Energy: 1.0608967438447343
Energy: 1.0746118726775993
Energy: 1.0780935947312236
Energy: 1.0758251763319893
Energy: 1.0879341600361305
Energy: 1.3278591157273358
Energy: 1.0092938414340435
Energy: 1.0094820799032105
Energy: 1.031872232095727
Energy: 0.977688127610789
Energy: 1.069088415100267
Energy: 1.1794293665247944
Energy: 1.0743447368222745
Energy: 1.0541214283259797
Energy: 1.058217558462736
Energy: 1.0667767645175068
Energy: 1.0553808727322225
Energy: 1.2429912821783775
Energy: 1.0495510763364393
Energy: 1.0520514720703946
Energy: 1.0851729255836913
Energy: 1.0511434226611054
Energy: 1.0534426419641152
Energy: 1.2534764983709492
Energy: 1.120328084698153
Energy: 1.1060339919503193
Energy: 1.1055551900566174
Energy: 1.1430344232594813
Energy: 1.10731235720801
Energy: 1.2568454529861204
Energy: 1.0614292944241377
Energy: 1.0584536552327655
Energy: 1.0638071587480584
Energy: 1.0645683463541011
Energy: 1.0575107681266716
Energy: 1.2454318111700076
Energy: 1.0089013217285474
Energy: 1.0041627534832447
Energy: 1.1366252412994495
Energy: 1.0172361349154448
Energy: 1.076335687868214
Energy: 1.1661501401576106
Energy: 1.0558687678363274
Energy: 1.056831976282705
Energy: 1.108826398031096
Energy: 1.0560410468580919
Energy: 1.0561761598937243
Energy: 1.2353959312476568
Energy: 1.0827963107465246
Energy: 1.0850982941493061
Energy: 1.1129256205708882
Energy: 1.0110513232348908
Energy: 1.0854366591587974
Energy: 1.1900609188453921
Energy: 1.0596582026977834
Energy: 1.0756419745508559
Energy: 1.0643532343572257
Energy: 1.0594981891222
Energy: 1.0750342615554858
Energy: 1.14286698868297
Energy: 1.0618410762788706
Energy: 1.0606628754927365
Energy: 1.0710409409145254
Energy: 1.0634441176141625
Energy: 1.046459861149444
Energy: 1.1182161993436872
Energy: 1.0617857795271688
Energy: 1.0607104344613572
Energy: 1.0619835314699604
Energy: 1.060725543015811
Energy: 1.0450157529731487
Energy: 1.3287249326609372
Energy: 1.0857207099026616
Energy: 1.0614105387528496
Energy: 1.0767027844355366
Energy: 1.0034240778317063
Energy: 1.0602649655972747
Energy: 1.2756060611556943
Energy: 1.0137630679737826
Energy: 1.0096760858600355
Energy: 1.0703035885046417
Energy: 0.988454649109673
Energy: 1.0060039650510282
Energy: 1.193178606964852
Energy: 1.0998444768878541
Energy: 1.098292733064496
Energy: 1.0921111403418138
Energy: 1.138271711597598
Energy: 1.1102500994498559
Energy: 1.2185194847661884
Energy: 1.0790039319181624
Energy: 1.078915191227946
Energy: 1.0749719114242966
Energy: 1.07800138317165
Energy: 1.0798617357332967
Energy: 1.24392480457304
Energy: 0.3851974949917205
Energy: 0.3838539357104751
Energy: 1.0770059521764412
Energy: 0.3230533252128112
Energy: 1.0860280249135537

minimum gb energy = 0.3230533252128112 eV
minimum distance =  2.30336844533461 Angstroms
sigma value = 19


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

Energy: 1.2502121132130175
Energy: 0.9886330676335863
Energy: 1.0163013260978715
Energy: 0.9695616926676035
Energy: 1.0196578549201027
Energy: 0.9318043218905407
Energy: 1.2260958665382768
Energy: 0.9978228660711272
Energy: 1.0300009648048885
Energy: 1.0197678920197946
Energy: 0.7466551587066688
Energy: 1.0305211495626356
Energy: 1.0732621949000254
Energy: 1.0140360745794927
Energy: 1.0129928612795849
Energy: 0.9948402960555468
Energy: 0.9983305194318872
Energy: 0.9635865336331106
Energy: 1.1096463458616486
Energy: 0.9933436854860083
Energy: 1.0505859638231447
Energy: 0.9629640344657333
Energy: 0.9840808409654895
Energy: 1.0495085905609203
Energy: 1.2447268914008571
Energy: 0.9022810667452222
Energy: 0.9671302230520977
Energy: 0.9745698219587916
Energy: 0.9992464252267776
Energy: 0.9671654194995207
Energy: 1.1490443459603963
Energy: 1.0410661132067889
Energy: 1.0405012271347842
Energy: 0.8813278148323533
Energy: 1.0412293339709382
Energy: 1.0395571092613007
Energy: 1.0666469406834767
Energy: 0.963740414497055
Energy: 0.9619715503475466
Energy: 0.9144183547946263
Energy: 0.9628892414266534
Energy: 0.9449276980633734
Energy: 1.075396691975142
Energy: 1.0111637457119602
Energy: 1.0349601683491425
Energy: 1.0025644179123574
Energy: 0.9951136405752988
Energy: 0.9933465852807445
Energy: 1.187812089392607
Energy: 1.0466631600968463
Energy: 1.043140405337197
Energy: 0.9585167762707892
Energy: 0.9966482942274288
Energy: 0.9914902324930381
Energy: 1.138774250617747
Energy: 0.9907861435469277
Energy: 0.9847901899628841
Energy: 1.0150331838867752
Energy: 0.9995725930851173
Energy: 0.9934300090444736
Energy: 1.1112875956383292
Energy: 1.0502282429242034
Energy: 1.049638706757471
Energy: 0.3770714279070786
Energy: 0.9983415442539055
Energy: 1.049727412876952
Energy: 1.1273801115428943
Energy: 0.9912479478607092
Energy: 0.9940991900113298
Energy: 0.9958798491378543
Energy: 1.0192528753443504
Energy: 1.038463670059297
Energy: 1.1493239213557211
Energy: 0.9262168432453591
Energy: 0.9639140098374477
Energy: 0.9891761858969454
Energy: 0.19992697897515557
Energy: 0.9873749627183386
Energy: 1.1552909302057417
Energy: 0.4927887802077428
Energy: 0.8799116022133803
Energy: 0.9875301360805427
Energy: 0.9628753526092136
Energy: 1.022224328829748
Energy: 1.1029427253828765
Energy: 0.9605164848900621
Energy: 0.9848502852358478
Energy: 0.9766848791028102
Energy: 0.9862187000772682
Energy: 1.0142048053763852
Energy: 1.1214238277857578
Energy: 1.0082980567221607
Energy: 1.0202816768757135
Energy: 0.9770378523194231
Energy: 1.0021867086939535
Energy: 1.01975070406684
Energy: 1.1629792699530253
Energy: 0.9636407715944462
Energy: 0.97580793134224
Energy: 1.0469142362477744
Energy: 0.7756152350055161
Energy: 0.9672720026582268
Energy: 1.1465374594903104
Energy: 1.0235635902667515
Energy: 1.02270691036607
Energy: 0.9843271703920331
Energy: 0.9922482407999115
Energy: 1.021483408878756
Energy: 1.0960064170899173
Energy: 1.0408535163672994
Energy: 1.0394592095589226
Energy: 0.9651341429444781
Energy: 1.0191693445322243
Energy: 1.0174379943141891
Energy: 1.0949596820747456
Energy: 1.041123049594088
Energy: 1.039142082902454
Energy: 0.9850515353616359
Energy: 1.0188025205009787
Energy: 1.0079905107442249
Energy: 1.171228142863632
Energy: 1.0242736948403628
Energy: 0.9759733777202728
Energy: 1.0497494279820712
Energy: 1.0278410421812985
Energy: 0.9746518407839813
Energy: 1.1703294507296345
Energy: 1.039336361341697
Energy: 1.0378944991224872
Energy: 0.9919684605795149
Energy: 1.0305485931351805
Energy: 1.01546127427964
Energy: 1.0593144841739666
Energy: 1.0246033326048285
Energy: 1.023607556092747
Energy: 0.9067069408614712
Energy: 1.0127158807716188
Energy: 0.9392217650804191
Energy: 1.0691791550525975
Energy: 0.9882759096289886
Energy: 1.0395564269273707
Energy: 0.7646085824065982
Energy: 0.9878890069389953
Energy: 0.9638154726350726
Energy: 1.1582657283404554
Energy: 1.0241623531760309
Energy: 1.0307475775045287
Energy: 1.014807870384761
Energy: 0.9979269581508161
Energy: 1.0135612808983467
Energy: 1.182871273560574
Energy: 0.9870193806366145
Energy: 1.0177647820766653
Energy: 0.9891823809658347
Energy: 0.9827610148589605
Energy: 1.0300543132900122
Energy: 1.0742004230888917
Energy: 0.9663648413778918
Energy: 0.9981702727798576
Energy: 1.0002699513116904
Energy: 0.9489636612423797
Energy: 1.02199229009086
Energy: 1.0807195745820892
Energy: 0.9667941052096154
Energy: 1.035799406213206
Energy: 0.9790800520938786
Energy: 1.0074378810870486
Energy: 1.0426446137584573
Energy: 1.1374011888093
Energy: 0.6771942712283008
Energy: 0.5707828097559831
Energy: 0.986809103847512
Energy: 0.2944781727612642
Energy: 1.0116310251922098

minimum gb energy = 0.19992697897515557 eV
minimum distance =  2.26746726255566 Angstroms
sigma value = 101


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

Energy: 1.153215612022833
Energy: 0.9203422305299421
Energy: 0.8811118314888001
Energy: 0.9032546757048906
Energy: 0.9140882476793963
Energy: 0.9095635356709365
Energy: 1.1808906322606436
Energy: 0.9757209925735768
Energy: 0.9509371758475491
Energy: 0.9506606766324882
Energy: 0.8547632974718847
Energy: 0.9517188695093877
Energy: 1.0377695328736722
Energy: 0.9407346571432041
Energy: 0.9382397862019288
Energy: 0.935626437833212
Energy: 0.9431720262406468
Energy: 0.9309160829329027
Energy: 1.0694917360710774
Energy: 0.9509023575608486
Energy: 0.9492590584646086
Energy: 0.9399045377096201
Energy: 0.9204049821838304
Energy: 0.9664650405339276
Energy: 1.1697642362739884
Energy: 0.8897458476814059
Energy: 0.890415387597311
Energy: 0.8758526137080751
Energy: 0.9338036919264325
Energy: 0.8789497421292144
Energy: 1.1073428355971398
Energy: 0.9512572920359764
Energy: 0.9498550627629052
Energy: 0.8245795904518242
Energy: 0.9525074945184032
Energy: 0.9469871416521525
Energy: 1.0830429124872045
Energy: 0.9344996760124555
Energy: 0.8929448765493283
Energy: 0.9042301853522406
Energy: 0.9348457898208362
Energy: 0.9120224118920687
Energy: 1.0882253065790264
Energy: 0.9548226652573387
Energy: 0.9546416645413871
Energy: 0.8626799645597861
Energy: 0.9400736499612485
Energy: 0.9521954180909666
Energy: 1.1288722575828825
Energy: 0.9750026794327082
Energy: 0.9737158816680372
Energy: 0.9099410272474278
Energy: 0.8865001307010575
Energy: 0.9136919746541479
Energy: 1.1208787951965324
Energy: 0.9396355351826995
Energy: 0.9335431064565072
Energy: 0.9362463120222422
Energy: 0.9479579245565501
Energy: 0.937548758209309
Energy: 1.0669957593780124
Energy: 0.9254909374284345
Energy: 0.8841179566022359
Energy: 0.9474214047915843
Energy: 0.8844928560697064
Energy: 0.8978982282114691
Energy: 1.0501231372305426
Energy: 0.9589768264012482
Energy: 0.9540722130455748
Energy: 0.9566330330763064
Energy: 0.9227286128355763
Energy: 0.9516367062030474
Energy: 1.119819369446788
Energy: 0.9295598937624988
Energy: 0.8968658289193537
Energy: 0.9339970674238278
Energy: 0.9089459066432493
Energy: 0.9371047920305746
Energy: 1.1041535185079332
Energy: 0.9400062947956302
Energy: 0.9234787827364109
Energy: 0.9200713413409946
Energy: 0.8901552612522491
Energy: 0.9531917197331907
Energy: 1.0268636520361512
Energy: 0.9091613556380008
Energy: 0.9086345254477324
Energy: 0.9191150549890963
Energy: 0.908300597921874
Energy: 0.9492874465243696
Energy: 1.0203621233466247
Energy: 0.9554439728963049
Energy: 0.9646360686831802
Energy: 0.9468080060009059
Energy: 0.8581385053322608
Energy: 0.9387958196751147
Energy: 1.0863102946163774
Energy: 0.89558438405774
Energy: 0.9155514674155608
Energy: 0.9674017732590365
Energy: 0.897825982204513
Energy: 0.9251659347979879
Energy: 1.0576974826122498
Energy: 0.8190349166913453
Energy: 0.974748050121135
Energy: 0.9346429319717857
Energy: 0.9462727619784322
Energy: 0.9391694477635657
Energy: 1.0216980185562605
Energy: 0.9416287774370419
Energy: 0.938673798208759
Energy: 0.8945851731175911
Energy: 1.001843318383025
Energy: 0.9110577349716698
Energy: 1.0922077506081649
Energy: 0.9485920261512074
Energy: 0.9524988218285749
Energy: 0.9147356280038969
Energy: 0.919592530602139
Energy: 0.9509689148075847
Energy: 1.1429038553346709
Energy: 0.9133024757859591
Energy: 0.8937951566855735
Energy: 0.8756802487652577
Energy: 0.9159155062952249
Energy: 0.8817440292203098
Energy: 1.1058266406782682
Energy: 0.9198245689340085
Energy: 0.9517805091503873
Energy: 0.8250829794011212
Energy: 0.9292283301055964
Energy: 0.9483572041133802
Energy: 1.0491717775518106
Energy: 0.9317985188595371
Energy: 0.931472576594875
Energy: 0.8885374318062897
Energy: 0.9321185717408642
Energy: 0.9481326040969229
Energy: 1.0600182224914825
Energy: 0.9525357907796471
Energy: 0.9499558389852816
Energy: 0.9233466137357689
Energy: 0.8952858830822295
Energy: 0.9438665309660058
Energy: 1.1279808877019293
Energy: 0.9775482084556406
Energy: 0.9745547149996328
Energy: 0.9654742098100082
Energy: 0.961516121245268
Energy: 0.9747277123090082
Energy: 1.129046805268777
Energy: 0.9614336565514121
Energy: 0.9597685746199444
Energy: 0.9482641653330772
Energy: 0.9538828160693166
Energy: 0.9607217625590946
Energy: 1.0677084763281999
Energy: 0.9627653526479653
Energy: 0.9608744919042449
Energy: 0.909201222609657
Energy: 0.9304109237927861
Energy: 0.9603406029219644
Energy: 1.0446669497456755
Energy: 0.9679952095341772
Energy: 0.9658035625835674
Energy: 0.9256840191482981
Energy: 0.8976113096549795
Energy: 0.9529440685124461
Energy: 1.1208445781980991
Energy: 0.9160870143542001
Energy: 0.9506277075950779
Energy: 0.9523050153126361
Energy: 0.8896991118744457
Energy: 0.9502914972591724
Energy: 1.1206886864412704
Energy: 0.9104370725967661
Energy: 0.92219614027116
Energy: 0.9186411376060797
Energy: 0.9094829908822109
Energy: 0.944719664662685
Energy: 1.046101061490682
Energy: 0.9463725916522864
Energy: 0.9376248746620065
Energy: 0.9183509804783089
Energy: 0.9516816202740266
Energy: 0.9608078781001957
Energy: 1.020190223357625
Energy: 0.9572742991472841
Energy: 0.9596695078623173
Energy: 0.9142530986952567
Energy: 0.9965326674175412
Energy: 0.9586165706484874
Energy: 1.0861298929890095
Energy: 0.8877281133650718
Energy: 0.864230893677787
Energy: 0.9665315795437216
Energy: 0.8864055270890056
Energy: 0.9301731043568491

minimum gb energy = 0.8190349166913453 eV
minimum distance =  2.32052004727671 Angstroms
sigma value = 33


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

Energy: 0.018637042763471705
Energy: 0.9828034181203609
Energy: 0.019158900745797274
Energy: 0.020549025498998518
Energy: 0.984998155424122
Energy: 0.01913064345809986
Energy: 0.47632850905780777
Energy: 0.11604970249563897
Energy: 0.11497912920842952
Energy: 0.11859573447271837
Energy: 0.11780606825210241
Energy: 0.11519458076275238
Energy: 1.3392897285861758
Energy: 0.9837369783725588
Energy: 0.9825537831953955
Energy: 0.9876535472108984
Energy: 0.985927607221196
Energy: 0.9823205231468864
Energy: 0.019169664830349355
Energy: 0.11604970249519383
Energy: 0.11497912920798439
Energy: 0.11859573447227324
Energy: 0.11780606825254754
Energy: 0.11519458076275238

minimum gb energy = 0.018637042763471705 eV
minimum distance =  2.51767473886169 Angstroms
sigma value = 1