Model name: model_name=EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.08997417986393
cohesive_energy=2.8502318916679323
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.00674810039538e-20, 1.419446786715666e-19, 1.8592779184579797e-19, 2.23412316374862e-19, 2.55088950605676e-19, 2.8220739231276e-19, 3.05656849527984e-19, 3.2607338637504597e-19, 3.4398892549643398e-19, 3.59951411300976e-19, 3.7442387283589796e-19, 3.87657851832738e-19, 3.9969660706061396e-19, 4.1049047104387196e-19, 4.200106046031e-19, 4.2827943821117394e-19, 4.35353048050284e-19, 4.41298725539058e-19, 4.46183762096124e-19, 4.50065836080306e-19, 4.53002625850428e-19, 4.5504219670551e-19, 4.562342161212059e-19, 4.5662194286663395e-19, 4.56206979118428e-19, 4.54867559452404e-19, 4.52440261851894e-19, 4.48703985941406e-19, 4.43221337499858e-19, 4.35345037167114e-19, 4.24331674984998e-19, 4.0934972128046395e-19, 3.8946510707588997e-19, 3.6363481538254193e-19, 3.3074373126315597e-19, 2.8953414606004195e-19, 2.38498411560606e-19, 1.7577960504604198e-19, 9.89956102969188e-20, 5.031219153152159e-21, -1.099182892815504e-19, -2.50149440043054e-19, -4.2054733377548993e-19, -6.271608281428619e-19, -8.784157700633759e-19, -1.1865591977273279e-18, -1.568756831591394e-18, -2.05067393915562e-18, -2.67384054094992e-18, -3.50362384146486e-18, -4.6354815245541595e-18, -6.168620367395099e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -5.85410000009112e-06 eV

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

Energy: 0.008587301833814516
Energy: 0.06710462657086227
Energy: 0.4404037815352734
Energy: 0.0671046265703859
Energy: 0.0671046265703859
Energy: 0.5262241338353458
Energy: 0.06710462657181505
Energy: 0.526224133837265
Energy: 0.4404037812005378
Energy: 0.06710462657181505
Energy: 0.008587301833814516
Energy: 0.06710462657086227
Energy: 0.06710462657133867
Energy: 0.526224133834393
Energy: 0.06710462657086227
Energy: 0.5262241338382176

minimum gb energy = 0.008587301833814516 eV
minimum distance =  2.80510916970469 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.874016685126246
Energy: 0.6109083219836323
Energy: 0.6116341806978494
Energy: 0.6109083219830381
Energy: 0.5787118165096299
Energy: 0.6214002176369572
Energy: 0.5790314918490211
Energy: 0.6214002176375516
Energy: 0.6113875700723181
Energy: 0.6108734114486688
Energy: 0.9474330862686523
Energy: 0.6108734114486688
Energy: 0.5803563150424914
Energy: 0.5780478755018669
Energy: 0.5789682151807569
Energy: 0.5780478755030554
Energy: 0.8132615068871919
Energy: 0.5782447621995519
Energy: 0.5800732557674125
Energy: 0.5782447621989575
Energy: 0.6127132000370362
Energy: 0.6564702644867423
Energy: 0.578825359331403
Energy: 0.6564702644861481
Energy: 0.6143356557250983
Energy: 0.6291700134303715
Energy: 0.6128790664835837
Energy: 0.6291700134303715
Energy: 0.6158673780735311
Energy: 0.6362515318814906
Energy: 0.6413234887096483
Energy: 0.6362515318820849
Energy: 0.6302113951158306
Energy: 0.6589425069444943
Energy: 0.6307636043368391
Energy: 0.6589425069450885
Energy: 0.6395121878764152
Energy: 0.6530757521441648
Energy: 0.631303277098106
Energy: 0.6530757521435705
Energy: 0.6293708515540317
Energy: 0.6589180017933381
Energy: 0.6306005413913759
Energy: 0.6589180017933381
Energy: 0.6139660959809169
Energy: 0.6576722701910823
Energy: 0.6439416445337883
Energy: 0.657672270190488
Energy: 0.6223082152170685
Energy: 0.628802062603886
Energy: 0.5890931783052177
Energy: 0.6288020626032919
Energy: 0.6132655922817728
Energy: 0.629203608361693
Energy: 0.6156514326268492
Energy: 0.629203608361693
Energy: 0.5894747536522501
Energy: 0.5780497317345307
Energy: 0.5781942495073942
Energy: 0.5780497317345307
Energy: 0.5984648279137459
Energy: 0.5789792679221882
Energy: 0.5785780196595389
Energy: 0.5789792679215939
Energy: 0.6111765428128613
Energy: 0.6109152042698608
Energy: 0.56581018324045
Energy: 0.6109152042692666
Energy: 0.5794894887297355
Energy: 0.5787225877438965
Energy: 0.5891575529459196
Energy: 0.5787225877433022
Energy: 0.5785283031421665
Energy: 0.6108074449254847
Energy: 0.6127043538653055
Energy: 0.6108074449260791
Energy: 0.6127560628301973
Energy: 0.5788594710754337
Energy: 0.5803298657959812
Energy: 0.5788594710760279
Energy: 0.5794301992582404
Energy: 0.5802092720745115
Energy: 0.6124473900941053
Energy: 0.5802092720762942
Energy: 0.5788914914172874
Energy: 0.5783200327031734
Energy: 0.6132756777583732
Energy: 0.5783200327019851
Energy: 0.6128502904218182
Energy: 0.6291116828394578
Energy: 0.6126477675316795
Energy: 0.6291116828388635
Energy: 0.6418704541721185
Energy: 0.6309718329367271
Energy: 0.6138909018230143
Energy: 0.6309718329361329
Energy: 0.6314562677709084
Energy: 0.658973335547465
Energy: 0.6303480090666416
Energy: 0.6589733355480591
Energy: 0.6322391528254065
Energy: 0.6570613030983898
Energy: 0.6404944674148465
Energy: 0.6570613030989841
Energy: 0.7034510374250273
Energy: 0.6583150385046959
Energy: 0.6297473954024319
Energy: 0.6583150385046959
Energy: 0.6421612634130085
Energy: 0.6572075576346819
Energy: 0.635220526396145
Energy: 0.6572075576340874
Energy: 0.5894768800813156
Energy: 0.628690531300753
Energy: 0.6226012418413779
Energy: 0.6286905312995645
Energy: 0.6155447811366682
Energy: 0.6289549613136057
Energy: 0.6141845731396383
Energy: 0.6289549613136057
Energy: 0.5777912220414961
Energy: 0.5780255583740759
Energy: 0.5896848952643008
Energy: 0.5780255583734818
Energy: 0.578487431161662
Energy: 0.5787317857566545
Energy: 0.5661079818015663
Energy: 0.5787317857560602
Energy: 0.5661385772521037
Energy: 0.5800553109501327
Energy: 0.6117426297879421
Energy: 0.5800553109489444

minimum gb energy = 0.56581018324045 eV
minimum distance =  2.62260282196424 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.994485817903729
Energy: 0.6437109475396915
Energy: 0.642770035030616
Energy: 0.6437109475390139
Energy: 0.608812996167076
Energy: 0.6525916873453064
Energy: 0.6082396282882159
Energy: 0.6525916873480165
Energy: 0.6434787055673783
Energy: 0.6437555382222658
Energy: 0.9151557987879285
Energy: 0.6437555382222658
Energy: 0.6112455705131704
Energy: 0.6087079377635397
Energy: 0.6083820236293166
Energy: 0.6087079377642173
Energy: 0.6087345827229722
Energy: 0.6089717165307024
Energy: 0.6090619636384107
Energy: 0.6089717165313799
Energy: 0.6132455702435762
Energy: 0.6785610180767653
Energy: 0.6088118345774338
Energy: 0.6785610180760877
Energy: 0.6517268954483043
Energy: 0.6687644657962627
Energy: 0.6496199076072617
Energy: 0.66876446579423
Energy: 0.6513956069062368
Energy: 0.6710346693595842
Energy: 0.6783638852636099
Energy: 0.6710346693595842
Energy: 0.6498949479529701
Energy: 0.6993822140672526
Energy: 0.6643759615907086
Energy: 0.6993822140672526
Energy: 0.6788576160684577
Energy: 0.700776202407924
Energy: 0.6510900636689352
Energy: 0.7007762024072465
Energy: 0.6240888222231826
Energy: 0.6683312686577627
Energy: 0.6665041778696633
Energy: 0.6683312686536974
Energy: 0.6518876917741453
Energy: 0.6688262338502077
Energy: 0.6585831501010955
Energy: 0.6688262338515628
Energy: 0.6091829291248425
Energy: 0.6087978184263646
Energy: 0.6240985859964995
Energy: 0.6087978184250401
Energy: 0.6082668726157254
Energy: 0.6087557337594302
Energy: 0.5928485080389738
Energy: 0.6087557337601077
Energy: 0.5924159600096786
Energy: 0.6437762457863374
Energy: 0.64323174618432
Energy: 0.6437762457849823
Energy: 0.6249256340591561
Energy: 0.6090856757306209
Energy: 0.6083695543168611
Energy: 0.6090856757340086
Energy: 0.6437239720661976
Energy: 0.6440229338679786
Energy: 0.6088969504755719
Energy: 0.6440229338693337
Energy: 0.6111521750544664
Energy: 0.6087616186950446
Energy: 0.6111149878419575
Energy: 0.6087616187031752
Energy: 0.6090690613237297
Energy: 0.6115194008775936
Energy: 0.6110360381730192
Energy: 0.6115194008789486
Energy: 0.6124705714072106
Energy: 0.6093253423964096
Energy: 0.6093099011495829
Energy: 0.609325342395732
Energy: 0.6500085347135971
Energy: 0.6695484449243421
Energy: 0.6494715649901521
Energy: 0.6695484449270523
Energy: 0.6497111123608328
Energy: 0.6697080683296979
Energy: 0.6376190422696583
Energy: 0.6697080683303755
Energy: 0.6500137106512104
Energy: 0.6989700344907954
Energy: 0.6647451277896795
Energy: 0.6989700344901177
Energy: 0.6787295495895036
Energy: 0.6985323489463059
Energy: 0.6722305451457148
Energy: 0.6985323489449506
Energy: 0.6239946954385516
Energy: 0.6679038655903586
Energy: 0.6673221352213856
Energy: 0.6679038655917138
Energy: 0.6522991296463594
Energy: 0.6685915164764366
Energy: 0.6578694041036034
Energy: 0.6685915164764366
Energy: 0.6086306700965117
Energy: 0.6087627197952331
Energy: 0.624290085697443
Energy: 0.6087627197932004
Energy: 0.6088841417540027
Energy: 0.6089656365260256
Energy: 0.5927028182863462
Energy: 0.6089656365294135
Energy: 0.5931093026268007
Energy: 0.6109030214627024
Energy: 0.6429579425161166
Energy: 0.6109030214613472

minimum gb energy = 0.5924159600096786 eV
minimum distance =  2.62673307739372 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.9538123433366296
Energy: 0.6788465053640219
Energy: 0.679017825365002
Energy: 0.6788465053648096
Energy: 0.6445668907111731
Energy: 0.6860945627014656
Energy: 0.6445743256957601
Energy: 0.6860945627014656
Energy: 0.6787383581474691
Energy: 0.6790926260485746
Energy: 0.6424269672828696
Energy: 0.6790926260493624
Energy: 0.6475008329214226
Energy: 0.6868788586071002
Energy: 0.6441379088174863
Energy: 0.6868788586078877
Energy: 0.6427158346501903
Energy: 0.6441377982060011
Energy: 0.6450041074601327
Energy: 0.6441377982075764
Energy: 0.6479829113929073
Energy: 0.6446758549465468
Energy: 0.6435977874611372
Energy: 0.6446758549473346
Energy: 0.6855491349765995
Energy: 0.7178402101898732
Energy: 0.6818343777528136
Energy: 0.7178402101898732
Energy: 0.6831114188726071
Energy: 0.719573896672225
Energy: 0.6307441137216279
Energy: 0.719573896672225
Energy: 0.6834336316618946
Energy: 0.7170382117834732
Energy: 0.6680450660850774
Energy: 0.7170382117834732
Energy: 0.6486450988329637
Energy: 0.7175424458416939
Energy: 0.6441481828509151
Energy: 0.7175424458416939
Energy: 0.6200758523759308
Energy: 0.6442920948785273
Energy: 0.6445959699227976
Energy: 0.6442920948785273
Energy: 0.6201263896083223
Energy: 0.6438617551322285
Energy: 0.6437019577867479
Energy: 0.6438617551330161
Energy: 0.678270401927493
Energy: 0.6785484029625484
Energy: 0.6200027247947987
Energy: 0.6785484029633359
Energy: 0.6441072794690221
Energy: 0.6472236012720679
Energy: 0.6691675774454621
Energy: 0.6472236012720679
Energy: 0.6428720775562785
Energy: 0.6794430853185741
Energy: 0.6800984309458447
Energy: 0.6794430853185741
Energy: 0.6464233386142468
Energy: 0.6439763081919907
Energy: 0.6472607740598499
Energy: 0.6439763081919907
Energy: 0.6438410643880019
Energy: 0.6480285239799306
Energy: 0.6431117326552016
Energy: 0.6480285239807182
Energy: 0.6435755031078265
Energy: 0.6439455563249697
Energy: 0.6478873058879359
Energy: 0.6439455563249697
Energy: 0.6817123275331606
Energy: 0.7189109960776792
Energy: 0.6858086045928375
Energy: 0.7189109960768915
Energy: 0.6308156680530881
Energy: 0.7185925313062069
Energy: 0.6842559528560633
Energy: 0.7185925313054193
Energy: 0.6672267343943689
Energy: 0.7168259717949218
Energy: 0.6829540717490399
Energy: 0.7168259717941341
Energy: 0.6667979770838124
Energy: 0.7169534649572988
Energy: 0.7023235869472242
Energy: 0.7169534649572988
Energy: 0.6435871630004283
Energy: 0.6442693860273575
Energy: 0.6196272744723573
Energy: 0.6442693860265698
Energy: 0.6435655288082949
Energy: 0.6437064346821897
Energy: 0.6201126033458079
Energy: 0.6437064346821897
Energy: 0.6199609717747528
Energy: 0.6467799890895805
Energy: 0.6792381385205877
Energy: 0.6467799890895805

minimum gb energy = 0.6196272744723573 eV
minimum distance =  2.62694534954033 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.8904571852173523
Energy: 0.7167821947093742
Energy: 0.7174147106825445
Energy: 0.7167821947093742
Energy: 0.6862268977507757
Energy: 0.7196275323985881
Energy: 0.6871054231958263
Energy: 0.7196275323995277
Energy: 0.7170445188636883
Energy: 0.7171359583456388
Energy: 0.685397652663641
Energy: 0.7171359583446992
Energy: 0.6869133312636087
Energy: 0.720481656186962
Energy: 0.687042079329177
Energy: 0.7204816561860223
Energy: 0.6846856922044642
Energy: 0.6861532939649152
Energy: 0.6875908197383727
Energy: 0.6861532939649152
Energy: 0.6881052390346115
Energy: 0.6895204510188528
Energy: 0.6870632925735607
Energy: 0.6895204510197924
Energy: 0.7221981914235204
Energy: 0.7684617468317891
Energy: 0.687680105734429
Energy: 0.7684617468308494
Energy: 0.6879100442878733
Energy: 0.7705199794604067
Energy: 0.6862041839783525
Energy: 0.7705199794594886
Energy: 0.6852434253439506
Energy: 0.6861458576371142
Energy: 0.646291411278298
Energy: 0.6861458576371142
Energy: 0.6862472569257322
Energy: 0.6861189401230886
Energy: 0.6461124843671617
Energy: 0.6861189401240282
Energy: 0.6463352582655942
Energy: 0.7167104704072682
Energy: 0.716395389864052
Energy: 0.7167104704063286
Energy: 0.7235104255603945
Energy: 0.6886359874101388
Energy: 0.6862998915232754
Energy: 0.6886359874129575
Energy: 0.7171982639066345
Energy: 0.7175673968778654
Energy: 0.685057640434647
Energy: 0.7175673968778654
Energy: 0.6864265687188359
Energy: 0.685966060816203
Energy: 0.7157591632154697
Energy: 0.6859660608171427
Energy: 0.6847735411805138
Energy: 0.6885867858069
Energy: 0.6909201891475193
Energy: 0.6885867858078397
Energy: 0.6885747028548973
Energy: 0.6867593924826576
Energy: 0.6897811301929826
Energy: 0.6867593924817179
Energy: 0.7229048578541042
Energy: 0.7694275991402142
Energy: 0.6877729713492848
Energy: 0.7694275991402142
Energy: 0.7226859963810128
Energy: 0.7690356315396832
Energy: 0.6865045688525893
Energy: 0.7690356315387437
Energy: 0.6844869311661874
Energy: 0.6860000547556707
Energy: 0.6460581949457881
Energy: 0.6860000547490934
Energy: 0.6864094245935045
Energy: 0.6867063206028946
Energy: 0.6460139934459764
Energy: 0.6867063206010154
Energy: 0.6455875030628959
Energy: 0.6871133947905904
Energy: 0.717769508769062
Energy: 0.6871133947915301

minimum gb energy = 0.6455875030628959 eV
minimum distance =  2.64212171566272 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.7948248571599921
Energy: 0.7579492261115733
Energy: 0.7586134985288367
Energy: 0.7579492261104114
Energy: 0.7580961364430857
Energy: 0.7272913028395368
Energy: 0.6933789620586012
Energy: 0.7272913028395368
Energy: 0.7577195818615875
Energy: 0.7581759616800328
Energy: 0.6742438011325723
Energy: 0.7581759616800328
Energy: 0.6764647221866947
Energy: 0.7272880867056289
Energy: 0.6936982266447215
Energy: 0.7272880867056289
Energy: 0.7324007879127743
Energy: 0.7737845335022315
Energy: 0.6938024384847054
Energy: 0.7737845335022315
Energy: 0.6757821273659685
Energy: 0.6939214017390993
Energy: 0.6918319545051486
Energy: 0.6939214017390993
Energy: 0.6729280106832468
Energy: 0.6929020653720076
Energy: 0.6940326554041868
Energy: 0.6929020653023137
Energy: 0.6729218376519881
Energy: 0.728074249428948
Energy: 0.6954046818804281
Energy: 0.728074249428948
Energy: 0.7569995651757805
Energy: 0.7575915115309216
Energy: 0.833338812704701
Energy: 0.7575915115309216
Energy: 0.6944727037767355
Energy: 0.7739960420758125
Energy: 0.6725585328726146
Energy: 0.7739960420758125
Energy: 0.6736149980356171
Energy: 0.7584649391465843
Energy: 0.7597395087185906
Energy: 0.7584649391454223
Energy: 0.7562457753523152
Energy: 0.7288131416072958
Energy: 0.7585291619971816
Energy: 0.7288131416072958
Energy: 0.6925618501915849
Energy: 0.7762072435204764
Energy: 0.7322800392579237
Energy: 0.7762072435204764
Energy: 0.6948130580654256
Energy: 0.6940231453696343
Energy: 0.6773325002038417
Energy: 0.6940231453754442
Energy: 0.7347659471985903
Energy: 0.7390924367513244
Energy: 0.6728575016419976
Energy: 0.7390924367513244
Energy: 0.6926337074249724
Energy: 0.7718525629729315
Energy: 0.6729613435402415
Energy: 0.7718525629729315
Energy: 0.8329554113623164
Energy: 0.6770749825233392
Energy: 0.759018844878087
Energy: 0.6770749825221772

minimum gb energy = 0.6725585328726146 eV
minimum distance =  2.69663318374054 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.1067497824393302
Energy: 0.8308407882781133
Energy: 0.8294829082236964
Energy: 0.8308407882781133
Energy: 0.7240519255899494
Energy: 0.7460448013394148
Energy: 0.7404516822882298
Energy: 0.7460448013400729
Energy: 0.7367739799324918
Energy: 0.7357332742451442
Energy: 0.7851966826770838
Energy: 0.7357332742444862
Energy: 0.7360055862456596
Energy: 0.785024066417309
Energy: 0.7408905617156708
Energy: 0.7850240664166509
Energy: 0.7357081381785381
Energy: 0.7916495290074514
Energy: 0.6896290907244454
Energy: 0.7916495290067933
Energy: 0.7425746364613082
Energy: 0.7688842525453244
Energy: 0.7362505708226756
Energy: 0.7688842525453244
Energy: 0.7775477704493827
Energy: 0.7349180876556133
Energy: 0.73491200358424
Energy: 0.7349180876556133
Energy: 0.7931220266704159
Energy: 0.7415546493376218
Energy: 0.7049582818722163
Energy: 0.7415546493369638
Energy: 0.8332392649413893
Energy: 0.8305460521667946
Energy: 0.7841700447973472
Energy: 0.8305460521674526
Energy: 0.8338505729383539
Energy: 0.7853560570973998
Energy: 0.7408984193887207
Energy: 0.7853560570973998
Energy: 0.7340132936577562
Energy: 0.7057877072362975
Energy: 0.7021276189551603
Energy: 0.7057877072349814
Energy: 0.7864256154028872
Energy: 0.7042686342214367
Energy: 0.7056667700492129
Energy: 0.7042686342214367
Energy: 0.780692771011104
Energy: 0.725336438509734
Energy: 0.7242738528831802
Energy: 0.725336438509734
Energy: 0.778389991293178
Energy: 0.7444029829478651
Energy: 0.7024951999945415
Energy: 0.7444029829478651
Energy: 0.8322668431503769
Energy: 0.793994188462653
Energy: 0.7924129617146105
Energy: 0.793994188462653
Energy: 0.8317456349982466
Energy: 0.7883431098411402
Energy: 0.7918190233865481
Energy: 0.7883431098404821
Energy: 0.7861870357696134
Energy: 0.7351968180864438
Energy: 0.7358086728066278
Energy: 0.7351968180857856
Energy: 0.7873714024766548
Energy: 0.7413761255488175
Energy: 0.7344019562551096
Energy: 0.7413761255488175
Energy: 0.7420914930900846
Energy: 0.7908151020073845
Energy: 0.7351049256757438
Energy: 0.7908151020100169
Energy: 0.7579464664831203
Energy: 0.7684189675313643
Energy: 0.7358681442732412
Energy: 0.7684189675320224
Energy: 0.7351080763676249
Energy: 0.7424931944878751
Energy: 0.791783208711945
Energy: 0.7424931944891913
Energy: 0.7359144642684841
Energy: 0.7356151389966901
Energy: 0.7766567461360174
Energy: 0.7356151389980063
Energy: 0.7400654658153595
Energy: 0.7853874372134328
Energy: 0.7911729145211583
Energy: 0.7853874372127747
Energy: 0.7842611536524801
Energy: 0.8303237972361458
Energy: 0.8305241447994529
Energy: 0.8303237972361458
Energy: 0.7068486403091248
Energy: 0.7427515040521007
Energy: 0.7866323888850546
Energy: 0.7427515040521007
Energy: 0.7047156754932701
Energy: 0.7235916697927313
Energy: 0.733587005249232
Energy: 0.7235916697933894
Energy: 0.7017775007645224
Energy: 0.7039093767306508
Energy: 0.7933545261959326
Energy: 0.7039093767306508
Energy: 0.7081050435556128
Energy: 0.7038405472944883
Energy: 0.7780625884973774
Energy: 0.7038405472944883
Energy: 0.7040078967909502
Energy: 0.7438164906653697
Energy: 0.778588152012815
Energy: 0.7438164906660278
Energy: 0.7907031732388855
Energy: 0.8305402035818544
Energy: 0.8287013201833507
Energy: 0.8305402035825126

minimum gb energy = 0.6896290907244454 eV
minimum distance =  2.64481407610252 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.0085816397129839
Energy: 0.7762759520984004
Energy: 0.7773973615269757
Energy: 0.7762759520984004
Energy: 0.7790203604567735
Energy: 0.7027916593205066
Energy: 0.7736849683111169
Energy: 0.7027916593215567
Energy: 0.7759248796564955
Energy: 0.7758994429706588
Energy: 0.7885673014999945
Energy: 0.7758994429724836
Energy: 0.7775304392918712
Energy: 0.7035103307613585
Energy: 0.7976098956562997
Energy: 0.7035103307624088
Energy: 0.7950498315134459
Energy: 0.7029570917623821
Energy: 0.6578540686808041
Energy: 0.7029570917625371
Energy: 0.7980829098654528
Energy: 0.7059420494965606
Energy: 0.6667981191902398
Energy: 0.7059420494949078
Energy: 0.8845439848141063
Energy: 0.7747895122979508
Energy: 0.773184742208037
Energy: 0.7747895122991731
Energy: 0.880221193748783
Energy: 0.7056342562660984
Energy: 0.7757961882201706
Energy: 0.7056342562664083
Energy: 0.7759696456998595
Energy: 0.7757367690965591
Energy: 0.788728076458428
Energy: 0.7757367690962492
Energy: 0.777939080008577
Energy: 0.7048776349856026
Energy: 0.7766949222480323
Energy: 0.7048776349842425
Energy: 0.7951973193576138
Energy: 0.7071693513067167
Energy: 0.6687418221473576
Energy: 0.7071693513074743
Energy: 0.7772293955461808
Energy: 0.7029453414421611
Energy: 0.6572655376883889
Energy: 0.7029453414418513
Energy: 0.8808081244399321
Energy: 0.7060132301177101
Energy: 0.7762015074350558
Energy: 0.7060132301186225

minimum gb energy = 0.6572655376883889 eV
minimum distance =  2.68879145442676 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.9809244323580852
Energy: 0.8677215212496505
Energy: 0.8674112415593087
Energy: 0.8677215212496505
Energy: 0.7194415007921802
Energy: 0.7182776478608816
Energy: 0.8721248704581918
Energy: 0.7182776478603208
Energy: 0.722619387386188
Energy: 0.721199451477496
Energy: 0.8647041733810289
Energy: 0.721199451477496
Energy: 0.7212026624784581
Energy: 0.7209696334111757
Energy: 0.9294581538880461
Energy: 0.7209696334117365
Energy: 0.7187940818813054
Energy: 0.7184377373222037
Energy: 0.9233762450288366
Energy: 0.7184377373227645
Energy: 0.7182364429107838
Energy: 0.7184457565639274
Energy: 0.9235757063756552
Energy: 0.7184457565644883
Energy: 0.8685307189701702
Energy: 0.8629213776866594
Energy: 0.8705800030449412
Energy: 0.8629213776872201
Energy: 0.8683014465068851
Energy: 0.7976582378056558
Energy: 0.8634263886005396
Energy: 0.7976582378067774
Energy: 0.760504955816046
Energy: 0.8087231941022439
Energy: 0.768675255577036
Energy: 0.8087231941011224
Energy: 0.7198398016707401
Energy: 0.7738486750908625
Energy: 0.8668452854413987
Energy: 0.7738486750925448
Energy: 0.7596693144625057
Energy: 0.7597097785383724
Energy: 0.8190491570498611
Energy: 0.7597097785383724
Energy: 0.769743926968777
Energy: 0.7651913137203971
Energy: 0.92555346960543
Energy: 0.7651913137203971
Energy: 0.868858914328148
Energy: 0.7596084016752245
Energy: 0.7705261107079245
Energy: 0.7596084016757854
Energy: 0.869993093801113
Energy: 0.7603869134509426
Energy: 0.7625909913625784
Energy: 0.7603869134515031
Energy: 0.8629831180071442
Energy: 0.7523213759710583
Energy: 0.7649747990297153
Energy: 0.7523213759704975
Energy: 0.8039532661587961
Energy: 0.8132888935253418
Energy: 0.7656634334915193
Energy: 0.8132888935259026
Energy: 0.8667604296613045
Energy: 0.7199705171670636
Energy: 0.7618519487831897
Energy: 0.7199705171670636
Energy: 0.8660742118664874
Energy: 0.8660099381826457
Energy: 0.9261402223949906
Energy: 0.866009938182085
Energy: 0.871773092218441
Energy: 0.7185922492414151
Energy: 0.7643890188487491
Energy: 0.7185922492419757
Energy: 0.9111626901759313
Energy: 0.7219399049240518
Energy: 0.722445824035506
Energy: 0.7219399049246125
Energy: 0.8735074901988558
Energy: 0.7199013673121792
Energy: 0.7202172708181227
Energy: 0.7199013673116185
Energy: 0.9312412265344994
Energy: 0.7182317661564311
Energy: 0.7179150360527473
Energy: 0.7182317661564311
Energy: 0.923407290982188
Energy: 0.7186104768367523
Energy: 0.7181456217708346
Energy: 0.7186104768367523
Energy: 0.8719153083072794
Energy: 0.8634419408904638
Energy: 0.8683116706588733
Energy: 0.8634419408904638
Energy: 0.8640362287937843
Energy: 0.8850307679344663
Energy: 0.8680421887712703
Energy: 0.8850307679339054
Energy: 0.7669866672886362
Energy: 0.8059180643627543
Energy: 0.7595314818728585
Energy: 0.8059180643621936
Energy: 0.8683196676650328
Energy: 0.7751965203083102
Energy: 0.7196301178063753
Energy: 0.7751965203083102
Energy: 0.8188892315494282
Energy: 0.760777558172543
Energy: 0.7597306944243014
Energy: 0.760777558172543
Energy: 0.9259356253358143
Energy: 0.7663141809259448
Energy: 0.7684599517713631
Energy: 0.7663141809253841
Energy: 0.7709343274604323
Energy: 0.7545193908039822
Energy: 0.8743016702209285
Energy: 0.7545193908034213
Energy: 0.7645019607854758
Energy: 0.7613393497375771
Energy: 0.8635003071042198
Energy: 0.7613393497370163
Energy: 0.7641228794163757
Energy: 0.75106405015237
Energy: 0.869121019701292
Energy: 0.7510640501518092
Energy: 0.7670357895103025
Energy: 0.8125757182001319
Energy: 0.804060928003057
Energy: 0.8125757182001319
Energy: 0.7606898246088896
Energy: 0.7197607171029011
Energy: 0.8042310865220536
Energy: 0.7197607171017797
Energy: 0.9254694711324336
Energy: 0.8648670750262972
Energy: 0.8695529080287023
Energy: 0.8648670750257365

minimum gb energy = 0.7179150360527473 eV
minimum distance =  2.64256427836126 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.035834903382447
Energy: 0.8333788857534858
Energy: 0.8333522592403332
Energy: 0.8333788857534858
Energy: 0.7373206658300676
Energy: 0.7339753815194999
Energy: 0.8260479840269859
Energy: 0.7339753815212793
Energy: 0.7343262627140426
Energy: 0.7347894827994488
Energy: 0.8518674996761822
Energy: 0.7347894828003385
Energy: 0.7326407510338151
Energy: 0.7343188260076905
Energy: 0.911895658606983
Energy: 0.7343188260076905
Energy: 0.7345386153722765
Energy: 0.7354733988884131
Energy: 0.8701172303262467
Energy: 0.7354733988893029
Energy: 0.7341348391297169
Energy: 0.7361356254514676
Energy: 0.8701125292913127
Energy: 0.7361356254523572
Energy: 0.8216643239488625
Energy: 0.8513352286989859
Energy: 0.861331029121859
Energy: 0.8513352286989859
Energy: 0.7661680060957611
Energy: 0.8128334858007314
Energy: 0.8511378845697286
Energy: 0.8128334858016212
Energy: 0.7722298296361032
Energy: 0.8182452254838234
Energy: 0.852765910291689
Energy: 0.8182452254953891
Energy: 0.7780319003264955
Energy: 0.7556108152442707
Energy: 0.8503060917412797
Energy: 0.7556108152433809
Energy: 0.7600516830282339
Energy: 0.7175513482619019
Energy: 0.7286428288385902
Energy: 0.7175513482627716
Energy: 0.7584868329785486
Energy: 0.719210247155088
Energy: 0.897908913018105
Energy: 0.719210247155088
Energy: 0.8532390570040613
Energy: 0.7689898920149132
Energy: 0.7658060053992245
Energy: 0.7689898920158028
Energy: 0.8508811972447857
Energy: 0.7664597285438117
Energy: 0.7629179919167581
Energy: 0.7664597285447015
Energy: 0.8612073970814378
Energy: 0.8098517171052373
Energy: 0.761873164709211
Energy: 0.8098517171043477
Energy: 0.9084700956307271
Energy: 0.7635631073670544
Energy: 0.7628186934843606
Energy: 0.7635631073670544
Energy: 0.9098133496808832
Energy: 0.7854727524172728
Energy: 0.7641865508370509
Energy: 0.7854727524172728
Energy: 0.8352105317081945
Energy: 0.8336152488445201
Energy: 0.7657414550745192
Energy: 0.8336152488445201
Energy: 0.8217574771462215
Energy: 0.7856280922330958
Energy: 0.8209477370026204
Energy: 0.7856280922339854
Energy: 0.822517976716412
Energy: 0.7831259676738467
Energy: 0.821107620992648
Energy: 0.7831259676738467
Energy: 0.8221714166931857
Energy: 0.8024857449776772
Energy: 0.7621018630377208
Energy: 0.8024857449803463
Energy: 0.8692965830551751
Energy: 0.8193315717315262
Energy: 0.8188488874138321
Energy: 0.8193315717306365

minimum gb energy = 0.7175513482619019 eV
minimum distance =  2.601817807657 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.1854243420602695
Energy: 0.8350566233340302
Energy: 0.8349683864836968
Energy: 0.8350566233352883
Energy: 0.7344503539960919
Energy: 0.7396864882218681
Energy: 0.8148354243033137
Energy: 0.7396864882218681
Energy: 0.7325357149079834
Energy: 0.7341799940541918
Energy: 0.8123868284669938
Energy: 0.7341799940554499
Energy: 0.7333068245847347
Energy: 0.7344810499842687
Energy: 0.8956009719207996
Energy: 0.7344810499842687
Energy: 0.7331296668420072
Energy: 0.7335966724050025
Energy: 0.875250506098849
Energy: 0.7335966724068897
Energy: 0.7380777796192688
Energy: 0.7355333085276944
Energy: 0.8740486924138803
Energy: 0.7355333085327272
Energy: 0.809514631158106
Energy: 0.7331789096766058
Energy: 0.7359762052221597
Energy: 0.7331789096759767
Energy: 0.8103585679633301
Energy: 0.7364477157888945
Energy: 0.7351725756950692
Energy: 0.7364477157851486
Energy: 0.8964295587760092
Energy: 0.7365359173385635
Energy: 0.736532290379741
Energy: 0.7365359173373053
Energy: 0.8758201445842437
Energy: 0.733607632991867
Energy: 0.7321664208496514
Energy: 0.7336076329899798
Energy: 0.8174296317964211
Energy: 0.8106206344732123
Energy: 0.736414334601909
Energy: 0.8106206344763577
Energy: 0.8136853894308269
Energy: 0.8128885496416942
Energy: 0.808302790169119
Energy: 0.8128885496454687
Energy: 0.8087001537193107
Energy: 0.7778506925232128
Energy: 0.8121580040593588
Energy: 0.777850692523842
Energy: 0.8108499804442059
Energy: 0.7769296675999207
Energy: 0.7411194096178897
Energy: 0.7769296675999207
Energy: 0.81185280183577
Energy: 0.7775503351666132
Energy: 0.7396761205361945
Energy: 0.777550335171646
Energy: 0.7452841751632626
Energy: 0.8123444641617096
Energy: 0.8135405834247241
Energy: 0.812344464164855
Energy: 0.7448654279854481
Energy: 0.8105514610258885
Energy: 0.8170203797058169
Energy: 0.8105514610252595
Energy: 0.7329905329039672
Energy: 0.7336962604342253
Energy: 0.8184961284559183
Energy: 0.7336962604335961
Energy: 0.7361879136741718
Energy: 0.73649169186437
Energy: 0.816612596901643
Energy: 0.7364916918649992
Energy: 0.7350282341302159
Energy: 0.7362131231175157
Energy: 0.7464716049692204
Energy: 0.7362131231143704
Energy: 0.7358172527107352
Energy: 0.7334119375564522
Energy: 0.8771556331926814
Energy: 0.733411937555194
Energy: 0.8105906061927964
Energy: 0.7348186145621302
Energy: 0.7380629727632709
Energy: 0.734818614561501
Energy: 0.8101390032617154
Energy: 0.7336046129856206
Energy: 0.732611876646881
Energy: 0.7336046129837334
Energy: 0.8950606849441718
Energy: 0.734425883495226
Energy: 0.7331623696707277
Energy: 0.7344258834990007
Energy: 0.8751863535120662
Energy: 0.7344475782706137
Energy: 0.7326574482034572
Energy: 0.7344475782687264
Energy: 0.8738196405023767
Energy: 0.7387690693975316
Energy: 0.7347307193678069
Energy: 0.7387690693962733
Energy: 0.8348744525942428
Energy: 0.8348873442457536
Energy: 1.038535854146353
Energy: 0.8348873442444954
Energy: 0.8082267641894567
Energy: 0.7794014534310952
Energy: 0.8134251701199657
Energy: 0.7794014534342122
Energy: 0.8138584568689159
Energy: 0.7777617003867792
Energy: 0.8089024855034617
Energy: 0.77776170038615
Energy: 0.8119065759260692
Energy: 0.7788663703064578
Energy: 0.7410110773625601
Energy: 0.7788663703064578
Energy: 0.7443740010305185
Energy: 0.8113363444618757
Energy: 0.8108217636640986
Energy: 0.8113363444637344

minimum gb energy = 0.7321664208496514 eV
minimum distance =  2.62560104275839 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.6965338989925299
Energy: 0.8147120349328323
Energy: 0.7097218488245652
Energy: 0.814712034932613
Energy: 0.7074507958042933
Energy: 0.7502390412757989
Energy: 0.7061474096595328
Energy: 0.7502390412759936
Energy: 0.7029184682873125
Energy: 0.7428171399412448
Energy: 0.6931407376142568
Energy: 0.7428171399474535
Energy: 0.6957942873860986
Energy: 0.7044787107516867
Energy: 0.7035935149795237
Energy: 0.7044787107525633
Energy: 0.7025304862501234
Energy: 0.7084675970150028
Energy: 0.6946788276870056
Energy: 0.7084675970154167
Energy: 0.7029953653697452
Energy: 0.7450248873842534
Energy: 0.6955246580902651
Energy: 0.7450248873876865
Energy: 0.6928462867773642
Energy: 0.7428692744266315
Energy: 0.7022586018664576
Energy: 0.7428692744298454
Energy: 0.706235434284607
Energy: 0.7091517576950175
Energy: 0.6976768020533225
Energy: 0.7091517576954558
Energy: 0.6959265393877699
Energy: 0.7080006939488888
Energy: 0.7086167882239305
Energy: 0.7080006939482314

minimum gb energy = 0.6928462867773642 eV
minimum distance =  2.65816162336424 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.9425848318786512
Energy: 0.6893489785026279
Energy: 0.7916862591998735
Energy: 0.689348978505005
Energy: 0.784747279194599
Energy: 0.6880192069443662
Energy: 0.8045599145983964
Energy: 0.6880192069431775
Energy: 0.8044284638839198
Energy: 0.7405539314290782
Energy: 0.8065687060788798
Energy: 0.740553931428484
Energy: 0.7051533270432562
Energy: 0.7422438164807207
Energy: 0.8006006646251285
Energy: 0.7422438164795323
Energy: 0.7993334562586211
Energy: 0.6865419642818632
Energy: 0.8079726080657202
Energy: 0.6865419642818632
Energy: 0.6863895194664071
Energy: 0.698700591142662
Energy: 0.807321564822746
Energy: 0.698700591142662
Energy: 0.686431954301612
Energy: 0.6868807899390968
Energy: 0.8008946530910537
Energy: 0.6868807899402853
Energy: 0.6915390002680329
Energy: 0.6883839404789917
Energy: 0.894047293040689
Energy: 0.688383940479586
Energy: 0.7088975220875587
Energy: 0.7055791616388398
Energy: 0.8958817482829887
Energy: 0.7055791616394341
Energy: 0.8221258981955701
Energy: 0.6691917175609812
Energy: 0.675631748470833
Energy: 0.6691917175603871
Energy: 0.709353189800181
Energy: 0.6678633855709294
Energy: 0.6670433085896493
Energy: 0.667863385572118
Energy: 0.9059295975147931
Energy: 0.6672209599674604
Energy: 0.6670030467669421
Energy: 0.6672209599674604
Energy: 0.910211854064957
Energy: 0.6672802087258649
Energy: 0.6668241063893661
Energy: 0.6672802087258649
Energy: 0.6873669124548171
Energy: 0.7006836517933619
Energy: 0.8073934570444745
Energy: 0.7006836517922004
Energy: 0.6875829834225683
Energy: 0.6864272811131463
Energy: 0.8091280360203535
Energy: 0.6864272811137406
Energy: 0.6880154000526947
Energy: 0.6878600021726027
Energy: 0.7843528739663184
Energy: 0.6878600021720085
Energy: 0.6887073433177273
Energy: 0.6874943966441762
Energy: 0.7048723650306474
Energy: 0.6874943966447706
Energy: 0.813684840687697
Energy: 0.6881512331256974
Energy: 0.7062292073008463
Energy: 0.6881512331256974
Energy: 0.8114618611425604
Energy: 0.7417169297321997
Energy: 0.8052145997714628
Energy: 0.7417169297316054
Energy: 0.8119091748441577
Energy: 0.7440114622013492
Energy: 0.7043920399365226
Energy: 0.744011462200755
Energy: 0.8022460726499628
Energy: 0.6908567310916606
Energy: 0.7835119100439318
Energy: 0.6908567310910663
Energy: 0.8075079707828591
Energy: 0.6866971861478455
Energy: 0.6865385105273267
Energy: 0.6866971861472513
Energy: 0.8007819054368494
Energy: 0.6865782106217099
Energy: 0.6866268870340979
Energy: 0.6865782106223041
Energy: 0.8946963328083026
Energy: 0.6875512340533545
Energy: 0.6889165946183238
Energy: 0.6875512340539489
Energy: 0.8969979378859188
Energy: 0.7021386722949782
Energy: 0.7088529767068807
Energy: 0.7021386722949782
Energy: 0.6713476978954193
Energy: 0.6707318677956853
Energy: 0.8224473386884499
Energy: 0.670731867795091
Energy: 0.6686984996891232
Energy: 0.6684075977076426
Energy: 0.7198858244058732
Energy: 0.6684075977076426
Energy: 0.6676337817717606
Energy: 0.6684816176816641
Energy: 0.7270849146740676
Energy: 0.6684816176822583
Energy: 0.6667097380884249
Energy: 0.6678840118885926
Energy: 0.8917757832357457
Energy: 0.6678840118885926
Energy: 0.8067852842947285
Energy: 0.7002121121751617
Energy: 0.707669242267532
Energy: 0.7002121121751617
Energy: 0.8093265729701236
Energy: 0.6868225836388644
Energy: 0.689180802468957
Energy: 0.6868225836388644
Energy: 0.7836487577398692
Energy: 0.6870949557045558
Energy: 0.6889554748473763
Energy: 0.68709495570515
Energy: 0.7054589043734704
Energy: 0.6870583185593357
Energy: 0.6878064604045505
Energy: 0.6870583185593357

minimum gb energy = 0.6667097380884249 eV
minimum distance =  2.62817697794806 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.0029684819037017
Energy: 0.6547637721283285
Energy: 0.656671965912469
Energy: 0.6547637721258635
Energy: 0.6551175766828143
Energy: 0.6546788390148027
Energy: 0.794081967738084
Energy: 0.6546788390156244
Energy: 0.7941371888038258
Energy: 0.7227568743888548
Energy: 0.7969292187949962
Energy: 0.7227568743896765
Energy: 0.6731035483880901
Energy: 0.7237016617126275
Energy: 0.7880912627726497
Energy: 0.7237016617109842
Energy: 0.6549983400103332
Energy: 0.6534705049905606
Energy: 0.7924977749744783
Energy: 0.6534705049938472
Energy: 0.653320121866101
Energy: 0.6660990394954632
Energy: 0.7851632015085697
Energy: 0.6660990394971067
Energy: 0.6516521820664875
Energy: 0.6526854650173328
Energy: 0.7890732598681317
Energy: 0.6526854650181545
Energy: 0.6550578450645336
Energy: 0.6558187033119722
Energy: 0.8975035326161215
Energy: 0.6558187033103289
Energy: 0.7901843455176543
Energy: 0.6833436379650817
Energy: 0.8971948522288172
Energy: 0.6833436379650817
Energy: 0.7952951247446787
Energy: 0.6574988576167631
Energy: 0.66954338136681
Energy: 0.6574988576175846
Energy: 0.7899682755971443
Energy: 0.6528549920836794
Energy: 0.6522105243500631
Energy: 0.6528549920836794
Energy: 0.6292384726876238
Energy: 0.6579597540190987
Energy: 0.6531873824958035
Energy: 0.6579597540182771
Energy: 0.8943325672288576
Energy: 0.6533729138216876
Energy: 0.6543182721043869
Energy: 0.6533729138216876
Energy: 0.7878797212481865
Energy: 0.7238685693355073
Energy: 0.795751986181125
Energy: 0.7238685693355073
Energy: 0.6758967078511458
Energy: 0.7219368134102606
Energy: 0.795212618379364
Energy: 0.7219368134086173
Energy: 0.6772175122973327
Energy: 0.6539138455011634
Energy: 0.6553936112886982
Energy: 0.6539138455011634
Energy: 0.6536561256523019
Energy: 0.6568692706819155
Energy: 0.810105213790919
Energy: 0.6568692706786288
Energy: 0.6643963251414532
Energy: 0.6560615091290762
Energy: 0.7856407063385674
Energy: 0.6560615091298979
Energy: 0.6520475050093976
Energy: 0.6542453629056398
Energy: 0.9016644909077997
Energy: 0.654245362904818
Energy: 0.6551777996458352
Energy: 0.6653820549603775
Energy: 0.8973761910399356
Energy: 0.6653820549587343
Energy: 0.7924163880052417
Energy: 0.6785440576081807
Energy: 0.654982334460505
Energy: 0.678544057609824
Energy: 0.792817155357486
Energy: 0.6539379533084757
Energy: 0.6558226031046726
Energy: 0.6539379533084757
Energy: 0.7883643108494077
Energy: 0.6526564160641295
Energy: 0.652677440751121
Energy: 0.6526564160649512
Energy: 0.8973253338682491
Energy: 0.6535638079174326
Energy: 0.6535821632391958
Energy: 0.6535638079198975

minimum gb energy = 0.6292384726876238 eV
minimum distance =  2.62961821977186 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.0666050701551744
Energy: 0.6482877609007146
Energy: 0.7681448599947043
Energy: 0.6482877608397954
Energy: 0.6494903238668966
Energy: 0.6464305617148165
Energy: 0.7338712804539891
Energy: 0.6464305617148165
Energy: 0.8307833379846721
Energy: 0.6459509389893323
Energy: 0.752526748745896
Energy: 0.6459509389878089
Energy: 0.8469106137654366
Energy: 0.6766165391680876
Energy: 0.7301712929259531
Energy: 0.6766165391685955
Energy: 0.7173972077421334
Energy: 0.6301201690052685
Energy: 0.7437728633652383
Energy: 0.6301201690052685
Energy: 0.630548768680724
Energy: 0.6297009358274942
Energy: 0.7239194062613489
Energy: 0.6297009358269864
Energy: 0.6304541147528305
Energy: 0.629756132108431
Energy: 0.6705893804038371
Energy: 0.6297561321094468
Energy: 0.6362342925320911
Energy: 0.6322401613135502
Energy: 0.6310907047121643
Energy: 0.6322401613135502
Energy: 0.7212293230279372
Energy: 0.6323134697293149
Energy: 0.8038412643310419
Energy: 0.6323134697282992
Energy: 0.755070381544502
Energy: 0.6793573605319757
Energy: 0.7426931832732497
Energy: 0.6793573605324836
Energy: 0.7191171597256742
Energy: 0.6440328982606104
Energy: 0.6559412840442786
Energy: 0.6440328982601026
Energy: 0.7232352957642602
Energy: 0.6473855999345559
Energy: 0.7418160197896801
Energy: 0.6473855999345559
Energy: 0.7193294264301678
Energy: 0.6442502205157367
Energy: 0.6449394402367116
Energy: 0.6442502205162445
Energy: 0.6452972772571137
Energy: 0.6437386418650796
Energy: 0.6447967171814982
Energy: 0.6437386418635791
Energy: 0.8426415071513147
Energy: 0.6455800706471444
Energy: 0.64981843540138
Energy: 0.6455800706471444
Energy: 0.8434834689576254
Energy: 0.6448167378309027
Energy: 0.647795281851952
Energy: 0.6448167378309027
Energy: 0.6554151998415532
Energy: 0.652458298263255
Energy: 0.7416946464806122
Energy: 0.6524582982622391
Energy: 0.6439605338838313
Energy: 0.6447389168393167
Energy: 0.8285099652518585
Energy: 0.6447389168403325
Energy: 0.6542355287077716
Energy: 0.6482228042453121
Energy: 0.7314375925379929
Energy: 0.6482228042448043
Energy: 0.6453095525138581
Energy: 0.7304523831053042
Energy: 0.6335317487334805
Energy: 0.7304523831058121
Energy: 0.7534553894472726
Energy: 0.6455215649824013
Energy: 0.6555346367078223
Energy: 0.6455215649824013
Energy: 0.752636160534783
Energy: 0.7662270051992806
Energy: 0.8416009037733556
Energy: 0.7662270051997884
Energy: 0.7311383934867002
Energy: 0.6751301480440948
Energy: 0.8437526326716038
Energy: 0.6751301480446026
Energy: 0.7377729024230987
Energy: 0.6308544519000671
Energy: 0.7171976862075681
Energy: 0.6308544519000671
Energy: 0.8320314463629002
Energy: 0.6305245728445309
Energy: 0.6297292549906961
Energy: 0.630524572844023
Energy: 0.7446973337263831
Energy: 0.6304969805851965
Energy: 0.6326877669802932
Energy: 0.6304969805846886
Energy: 0.6340847552549828
Energy: 0.631707850489234
Energy: 0.6340075557638258
Energy: 0.6317078504902496
Energy: 0.7321610254282463
Energy: 0.6318616368394323
Energy: 0.8304215614027657
Energy: 0.6318616368399401
Energy: 0.7356728088860773
Energy: 0.6783885461323397
Energy: 0.7526037405943078
Energy: 0.6783885461323397
Energy: 0.6565829749160453
Energy: 0.64393720844055
Energy: 0.7181655358661444
Energy: 0.6439372084390265
Energy: 0.7303405260151721
Energy: 0.6438063229768014
Energy: 0.717153193876505
Energy: 0.6438063229773093
Energy: 0.6442693723403179
Energy: 0.6443697018278471
Energy: 0.7176696630230494
Energy: 0.6443697018283551
Energy: 0.6436721060529919
Energy: 0.6435648036443357
Energy: 0.6466215879664572
Energy: 0.6435648036433199
Energy: 0.6491307652241349
Energy: 0.6467237447512089
Energy: 0.8455049437502121
Energy: 0.6467237447517167
Energy: 0.6486091250250934
Energy: 0.6604076988142027
Energy: 0.8563245564967658
Energy: 0.6604076988147106
Energy: 0.7438411460735449
Energy: 0.6472433536847382
Energy: 0.6661382500765459
Energy: 0.6472433536847382
Energy: 0.8258721906803254
Energy: 0.6441084808492761
Energy: 0.645101460018282
Energy: 0.6441084808492761
Energy: 0.8041111519751085
Energy: 0.646402209126899
Energy: 0.6443833049362154
Energy: 0.646402209127407

minimum gb energy = 0.6297009358269864 eV
minimum distance =  2.62320836781979 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.1252431903090276
Energy: 0.5916723097614974
Energy: 0.5929284320031125
Energy: 0.5916723097617692
Energy: 0.5915986249542918
Energy: 0.6421157363438503
Energy: 0.5938866454329886
Energy: 0.6421157363439862
Energy: 0.5848004736414403
Energy: 0.6428216639866126
Energy: 0.6022536199817046
Energy: 0.6428216639864917
Energy: 0.5854944094263996
Energy: 0.6431139375342372
Energy: 0.5903813390189778
Energy: 0.6431139375343731
Energy: 0.5890599159591126
Energy: 0.5894591561927786
Energy: 0.5974123272835192
Energy: 0.5894591561927786
Energy: 0.5895147795888199
Energy: 0.5888957619299822
Energy: 0.5966133139677732
Energy: 0.5888957619302541
Energy: 0.5889810027851072
Energy: 0.5880895566244664
Energy: 0.5907969479488349
Energy: 0.5880895566244664
Energy: 0.5922074237719385
Energy: 0.5921049728972847
Energy: 0.5853786939441481
Energy: 0.5921049728979491
Energy: 0.5920276354016396
Energy: 0.5912642602037989
Energy: 0.5923046051010367
Energy: 0.5912642602031345
Energy: 0.6046397152345316
Energy: 0.6438289310024079
Energy: 0.601078918945587
Energy: 0.6438289310022721
Energy: 0.5909557837577871
Energy: 0.6446068997019309
Energy: 0.5836118045372907
Energy: 0.6446068997019309
Energy: 0.5961675906995778
Energy: 0.5925038330898941
Energy: 0.5903276422416979
Energy: 0.5925038330893657
Energy: 0.5981904421265771
Energy: 0.5901005430363457
Energy: 0.589389035101768
Energy: 0.5901005430366175
Energy: 0.5907592515613239
Energy: 0.587905379437294
Energy: 0.5879183824913676
Energy: 0.5879053794378225
Energy: 0.5854010664336012
Energy: 0.5896280665777589
Energy: 0.5901361467542747
Energy: 0.589628066577623

minimum gb energy = 0.5836118045372907 eV
minimum distance =  2.65094867441025 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.9924385609940192
Energy: 0.5578291291632732
Energy: 0.711010910941949
Energy: 0.5578291290853253
Energy: 0.6535398889936972
Energy: 0.5568270112840338
Energy: 0.6714567432760782
Energy: 0.5568270112812489
Energy: 0.5687672139046779
Energy: 0.5549827118367926
Energy: 0.6631858023932528
Energy: 0.5549827118328939
Energy: 0.7646566716827684
Energy: 0.5568598841462942
Energy: 0.6516232623863504
Energy: 0.5568598841401675
Energy: 0.6544862557088033
Energy: 0.5568368465174045
Energy: 0.8382534390172637
Energy: 0.5568368465112781
Energy: 0.6533709535761655
Energy: 0.5558209329526397
Energy: 0.8360975742901963
Energy: 0.5558209329515259
Energy: 0.6620312621381284
Energy: 0.5555140351885691
Energy: 0.6499134701536845
Energy: 0.5555140351874552
Energy: 0.5588288299897414
Energy: 0.5547379247279275
Energy: 0.6477128071941127
Energy: 0.5547379247318261
Energy: 0.5642858765700062
Energy: 0.5562483310506595
Energy: 0.6523405766317397
Energy: 0.5562483310478749
Energy: 0.5543440682890165
Energy: 0.5551387247767783
Energy: 0.656792628053512
Energy: 0.5551387247773354
Energy: 0.5561008486987984
Energy: 0.5587050572524425
Energy: 0.9929159926826971
Energy: 0.5587050572513286
Energy: 0.6568882328520376
Energy: 0.5548836020929894
Energy: 0.6523375978697934
Energy: 0.5548836020935212
Energy: 0.6721142909858887
Energy: 0.5843809780173334
Energy: 0.7676300021324535
Energy: 0.5843809780190042
Energy: 0.6518741473621631
Energy: 0.5858825711728803
Energy: 0.764904518887676
Energy: 0.585882571177336
Energy: 0.65855243650859
Energy: 0.556775456129671
Energy: 0.6524088018440004
Energy: 0.5567754561246585
Energy: 0.6554035069131029
Energy: 0.5558225710368224
Energy: 0.5581150245007455
Energy: 0.5558225710384933
Energy: 0.6523297794736009
Energy: 0.5552650851092175
Energy: 0.5571657323006869
Energy: 0.5552650851064327
Energy: 0.9008154313359846
Energy: 0.5573241071936754
Energy: 0.5576442336352624
Energy: 0.5573241071975741
Energy: 0.737143364200212
Energy: 0.5559990904820716
Energy: 0.6491039364955393
Energy: 0.5559990904842994
Energy: 0.6567589371476219
Energy: 0.5544355885944982
Energy: 0.6624443833708002
Energy: 0.5544355885978398
Energy: 0.7674283111029988
Energy: 0.5539767269130838
Energy: 0.64957009615626
Energy: 0.5539767269158685
Energy: 0.6570206093857144
Energy: 0.5932994269666322
Energy: 0.6484733193178782
Energy: 0.5932994269660751
Energy: 0.6539724117750009
Energy: 0.5574485179565957
Energy: 0.8388211425882277
Energy: 0.557448517953254
Energy: 0.5588544555491065
Energy: 0.5540836887899198
Energy: 0.6519273679404324
Energy: 0.5540836887960462
Energy: 0.6502347182491238
Energy: 0.5556353545487366
Energy: 0.6477139350145547
Energy: 0.5556353545431671
Energy: 0.5553829993583769
Energy: 0.5544822690162058
Energy: 0.6485061097906198
Energy: 0.5544822690162058
Energy: 0.5545229226247546
Energy: 0.5542920489226039
Energy: 0.6543525715209257
Energy: 0.5542920489248316
Energy: 0.5643450457912768
Energy: 0.5566032172330116
Energy: 0.5656582059671771
Energy: 0.5566032172330116
Energy: 0.6555773050948125
Energy: 0.5563545595268093
Energy: 0.7506465662540062
Energy: 0.5563545595290371
Energy: 0.6619537845292882
Energy: 0.586223170173046
Energy: 0.6539422375647433
Energy: 0.5862231701685905
Energy: 0.6526141052660448
Energy: 0.5891123814795204
Energy: 0.7680494665889681
Energy: 0.5891123814806342
Energy: 0.659618325638073
Energy: 0.55499081448938
Energy: 0.7653832523018844
Energy: 0.5549908144815827
Energy: 0.659129437192255
Energy: 0.5557838547007395
Energy: 0.5662713287357113
Energy: 0.5557838546996255
Energy: 0.7656139585608721
Energy: 0.554342403694613
Energy: 0.5546133743759378
Energy: 0.5543424036884865
Energy: 0.7369509057129618
Energy: 0.5555834647596125
Energy: 0.5580978992010543
Energy: 0.5555834647618404

minimum gb energy = 0.5539767269130838 eV
minimum distance =  2.64604310037956 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.9669524656895369
Energy: 0.520443402062372
Energy: 0.5211918442436513
Energy: 0.5204434020681212
Energy: 0.8268619178763066
Energy: 0.5196599224445686
Energy: 0.686172233454057
Energy: 0.5196599224445686
Energy: 0.7520870388649137
Energy: 0.5761481046141653
Energy: 0.6831947279400438
Energy: 0.576148104613207
Energy: 0.755586428409945
Energy: 0.577750822743337
Energy: 0.6806473080874067
Energy: 0.5777508227423788
Energy: 0.6652879405224611
Energy: 0.5110101004408966
Energy: 0.7572884397037861
Energy: 0.5110101004408966
Energy: 0.5992774635949131
Energy: 0.5110943603857113
Energy: 0.8370507399903169
Energy: 0.5110943603866696
Energy: 0.5967565568138707
Energy: 0.5104959444521776
Energy: 0.8225591088828279
Energy: 0.5104959444531358
Energy: 0.5976604541797238
Energy: 0.5058928998414982
Energy: 0.7588497548933473
Energy: 0.5058928998424564
Energy: 0.5908822265516912
Energy: 0.5074352532445628
Energy: 0.7574570264452117
Energy: 0.5074352532436046
Energy: 0.5898711099378809
Energy: 0.5036963018230232
Energy: 0.8221318825819923
Energy: 0.5036963018230232
Energy: 0.6195715626706644
Energy: 0.619624800436519
Energy: 0.8662029584694781
Energy: 0.6196248004355608
Energy: 0.7505852744821015
Energy: 0.5035562475867387
Energy: 0.8221844533201053
Energy: 0.5035562475876751
Energy: 0.7493220485383854
Energy: 0.55958570000059
Energy: 0.7519556349256556
Energy: 0.5595856999996318
Energy: 0.7524393575939463
Energy: 0.5617763576242744
Energy: 0.75578100160813
Energy: 0.5617763576233161
Energy: 0.7572884397037861
Energy: 0.5698878930024982
Energy: 0.6690632254577606
Energy: 0.56988789300154
Energy: 0.8234090768084407
Energy: 0.5686968895444883
Energy: 0.5994682346399258
Energy: 0.5686968895444883
Energy: 0.8238200240659099
Energy: 0.5613978231855519
Energy: 0.5966699351128433
Energy: 0.5613978231865102
Energy: 0.758849754883765
Energy: 0.5191520410905225
Energy: 0.5256230182139674
Energy: 0.5191520410905225
Energy: 0.7574570264557522
Energy: 0.5210329440358055
Energy: 0.5189221383730207
Energy: 0.5210329440367637
Energy: 0.7571250994582257
Energy: 0.5198293257553835
Energy: 0.5248982635700004
Energy: 0.5198293257563417

minimum gb energy = 0.5035562475867387 eV
minimum distance =  2.64144653953687 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.02204475383927
Energy: 0.45180126197130904
Energy: 0.6307537212200658
Energy: 0.45180126200421467
Energy: 0.9163066161943233
Energy: 0.4496684777488892
Energy: 0.5811774365307997
Energy: 0.4496684777488892
Energy: 0.9139792469241445
Energy: 0.44876739286275513
Energy: 0.5845009434457754
Energy: 0.44876739286350337
Energy: 0.7189981028264549
Energy: 0.4526932560738504
Energy: 0.580797473633097
Energy: 0.4526932560738504
Energy: 0.8138051867241887
Energy: 0.49518159533944467
Energy: 0.8137613735289645
Energy: 0.49518159533944467
Energy: 0.7152386239845854
Energy: 0.49373227695327265
Energy: 0.8159549915546881
Energy: 0.49373227695327265
Energy: 0.7168550801780075
Energy: 0.4958361649944992
Energy: 0.8139854979076133
Energy: 0.49583616499375094
Energy: 0.5811001448798733
Energy: 0.4529851469998779
Energy: 0.811503157987535
Energy: 0.4529851469998779
Energy: 0.5835985710313315
Energy: 0.44869738050585734
Energy: 0.9189770909409403
Energy: 0.44869738050510916
Energy: 0.583967271401256
Energy: 0.44990656046396216
Energy: 0.9160671693277476
Energy: 0.44990656046396216
Energy: 0.4496573357637152
Energy: 0.4527423818227535
Energy: 0.8710163793612912
Energy: 0.4527423818235018
Energy: 0.45168290083881957
Energy: 0.4494179193437184
Energy: 0.9162852091754066
Energy: 0.4494179193437184
Energy: 0.45027535396713847
Energy: 0.45098191324667714
Energy: 0.9111025807262134
Energy: 0.45098191324667714
Energy: 0.4582293287462729
Energy: 0.45351933701938885
Energy: 0.9098524425833653
Energy: 0.4535193370201371
Energy: 0.5842283357451199
Energy: 0.4486862196404884
Energy: 0.9142389631371302
Energy: 0.4486862196404884
Energy: 0.5841930018684705
Energy: 0.4498536928791123
Energy: 0.9163791601756529
Energy: 0.4498536928791123
Energy: 0.7194994713129387
Energy: 0.4509344029688483
Energy: 0.9111478853751306
Energy: 0.4509344029688483
Energy: 0.5843913084870562
Energy: 0.4973809747340368
Energy: 0.8165373321189755
Energy: 0.49738097473478504
Energy: 0.8136034788362383
Energy: 0.49430493409981147
Energy: 0.7165935074854849
Energy: 0.49430493410055976
Energy: 0.9156560586736986
Energy: 0.4948620950620001
Energy: 0.7155088589317857
Energy: 0.4948620950605036
Energy: 0.8720890608810778
Energy: 0.45169727352905203
Energy: 0.5847878475313533
Energy: 0.45169727352905203
Energy: 0.9161494924669807
Energy: 0.44823568166355726
Energy: 0.44897443606580406
Energy: 0.448235681662809
Energy: 0.9170108894222608
Energy: 0.4506215351593252
Energy: 0.5808839427658652
Energy: 0.4506215351600734
Energy: 0.8156859468514106
Energy: 0.449941239443831
Energy: 0.45455126734624035
Energy: 0.4499412394430828
Energy: 0.9147476434929482
Energy: 0.4484632915169379
Energy: 0.44901496274599967
Energy: 0.4484632915169379
Energy: 0.9146997027485511
Energy: 0.4498312770338563
Energy: 0.4530541631341873
Energy: 0.4498312770338563

minimum gb energy = 0.448235681662809 eV
minimum distance =  2.65333623636182 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.1184980098870059
Energy: 0.41144669214194735
Energy: 0.5995825531899271
Energy: 0.4114466944051298
Energy: 0.9709221216264005
Energy: 0.4075519136076887
Energy: 0.5243827059762305
Energy: 0.4075519136070753
Energy: 0.9710262602716229
Energy: 0.4070397647412996
Energy: 0.5201114902443311
Energy: 0.40703976474068615
Energy: 0.8127612438564441
Energy: 0.41079559277885674
Energy: 0.6349770791830427
Energy: 0.4107955927782433
Energy: 0.8923593275688685
Energy: 0.4055730387196809
Energy: 0.7198306115009613
Energy: 0.4055730387215212
Energy: 0.8072633054263941
Energy: 0.5558744976913982
Energy: 0.7181059712457734
Energy: 0.5558744976920116
Energy: 0.8112045498478885
Energy: 0.4454717721191555
Energy: 0.8107235734158066
Energy: 0.4454717721191555
Energy: 0.7227193045186049
Energy: 0.4489066194799941
Energy: 0.7212789695294102
Energy: 0.44890661947938065
Energy: 0.6276711800250274
Energy: 0.5578147809528119
Energy: 0.8888014589982866
Energy: 0.5578147809528119
Energy: 0.6286621291522878
Energy: 0.4056843033867179
Energy: 0.8922701039562333
Energy: 0.4056843033879447
Energy: 0.5244113908829232
Energy: 0.40956865872364395
Energy: 0.8856260665153336
Energy: 0.40956865872609766
Energy: 0.516594069265188
Energy: 0.40624335170598197
Energy: 0.9707930681162648
Energy: 0.40624335170598197
Energy: 0.5183686095663187
Energy: 0.4080240206144179
Energy: 0.9729098323914527
Energy: 0.4080240206144179
Energy: 0.4132493221233132
Energy: 0.4087872501503622
Energy: 0.884825456972543
Energy: 0.4087872501497488
Energy: 0.407424181138604
Energy: 0.4071424553801947
Energy: 0.9691686580266267
Energy: 0.4071424553801947
Energy: 0.4105804503390798
Energy: 0.40751365931711403
Energy: 0.9725285572388825
Energy: 0.40751365931834094
Energy: 0.5219979818699579
Energy: 0.408867398739142
Energy: 0.9652376897093469
Energy: 0.408867398739142
Energy: 0.5159991486966745
Energy: 0.40540832626584866
Energy: 0.9681043378769634
Energy: 0.4054083262664621
Energy: 0.5175361474764654
Energy: 0.4089467664967402
Energy: 0.8091904607639795
Energy: 0.4089467664967402
Energy: 0.718007279169586
Energy: 0.407498625720681
Energy: 0.8077536133461722
Energy: 0.4074986257200677
Energy: 0.7225550837962049
Energy: 0.40601811406276
Energy: 0.886635075166796
Energy: 0.40601811406214666
Energy: 0.7186420978879273
Energy: 0.4442736665811748
Energy: 0.8126137355737543
Energy: 0.44427366658178824
Energy: 0.8895068740489764
Energy: 0.4427671140362793
Energy: 0.8057407081919171
Energy: 0.4427671140356659
Energy: 0.7208102624007227
Energy: 0.4437687462930989
Energy: 0.7180932211684184
Energy: 0.44376874625938795
Energy: 0.8872577750734265
Energy: 0.4059654243962717
Energy: 0.6257323423170117
Energy: 0.4059654243950449
Energy: 0.8897876326986819
Energy: 0.4072346660435809
Energy: 0.7165794901926624
Energy: 0.40723466604419434
Energy: 0.8923973871485087
Energy: 0.40915181027974334
Energy: 0.5235520547807752
Energy: 0.40915181027974334
Energy: 0.9680590174138262
Energy: 0.4060338673777543
Energy: 0.5154746486509943
Energy: 0.4060338673777543
Energy: 0.8916274516671061
Energy: 0.40873327100655954
Energy: 0.5210678670920892
Energy: 0.4087332710059461
Energy: 0.8901961646043901
Energy: 0.4077236512748184
Energy: 0.410664405611971
Energy: 0.4077236512748184
Energy: 0.9685662876797368
Energy: 0.4071192149679575
Energy: 0.40699219517283725
Energy: 0.4071192149679575
Energy: 0.9654458607941111
Energy: 0.4105241581291559
Energy: 0.41222508094430604
Energy: 0.41052415812976933

minimum gb energy = 0.40540832626584866 eV
minimum distance =  2.65429218754465 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.9644464794212331
Energy: 0.37936090150553087
Energy: 0.5743610343170381
Energy: 0.37936274668926023
Energy: 1.0089663426742528
Energy: 0.3749571074611482
Energy: 0.4733618441802897
Energy: 0.3749571074601089
Energy: 1.009266116352049
Energy: 0.3741332328156954
Energy: 0.4700059137968119
Energy: 0.3741332328162151
Energy: 0.8747381931071456
Energy: 0.3774803043679092
Energy: 0.6482232861533975
Energy: 0.37748030436686986
Energy: 0.940805957394721
Energy: 0.372596298206555
Energy: 0.6432736373599982
Energy: 0.37259629816500545
Energy: 0.869401832464033
Energy: 0.37284144929978036
Energy: 0.6421562204588712
Energy: 0.372841449303418
Energy: 0.7231642216992666
Energy: 0.3760966666496542
Energy: 0.7946276266216932
Energy: 0.3760966666506936
Energy: 0.7976543153497564
Energy: 0.4076424929978245
Energy: 0.6419873075318331
Energy: 0.4076424929962655
Energy: 0.722787541867548
Energy: 0.4043434996404929
Energy: 0.7935934930957244
Energy: 0.4043434996404929
Energy: 0.7216789318843672
Energy: 0.406156194906631
Energy: 0.8717275121844199
Energy: 0.4061561949502593
Energy: 0.6467947509376187
Energy: 0.3760086718122343
Energy: 0.8035259518820024
Energy: 0.37600867207714544
Energy: 0.5582036536577598
Energy: 0.3722120045602597
Energy: 0.9362119765243632
Energy: 0.3722120045623384
Energy: 0.6423886721521764
Energy: 0.37341020580486206
Energy: 0.9382010961845653
Energy: 0.3734102058069407
Energy: 0.47379088587191426
Energy: 0.37741831568993844
Energy: 0.8009687624644116
Energy: 0.37741831568993844
Energy: 0.46593950980399157
Energy: 0.37272394789677216
Energy: 1.0059445665256812
Energy: 0.3727239478972918
Energy: 0.4713317716006122
Energy: 0.3760286091218595
Energy: 0.9400522811029363
Energy: 0.37602860912133984
Energy: 0.3795530926922778
Energy: 0.37604218437858855
Energy: 0.9436715811846809
Energy: 0.37604218437858855
Energy: 0.3734850376783216
Energy: 0.3732431779287502
Energy: 1.0053345946731171
Energy: 0.3732431779287502
Energy: 0.38085586193112403
Energy: 0.37564477974136506
Energy: 0.87089095464047
Energy: 0.37564477974240434
Energy: 0.4727081455751205
Energy: 0.37619787449804587
Energy: 1.011512541451463
Energy: 0.37619787449856545
Energy: 0.46450042408116404
Energy: 0.37321966516925514
Energy: 1.0056138815189197
Energy: 0.3732196651702944
Energy: 0.47357296183808795
Energy: 0.3769024230235123
Energy: 0.875479727938395
Energy: 0.3769024230261106
Energy: 0.6420035310075998
Energy: 0.37389967854338674
Energy: 0.8678756133145182
Energy: 0.37389967861195894
Energy: 0.643212113987749
Energy: 0.37270867743105524
Energy: 0.9370090528827589
Energy: 0.37270867743209457
Energy: 0.6475984425903487
Energy: 0.3756909018932776
Energy: 0.7283183803297414
Energy: 0.3756909018937972
Energy: 0.7961771238262634
Energy: 0.5131017375576438
Energy: 0.8725921637819961
Energy: 0.513101737557124
Energy: 0.6413035036313327
Energy: 0.40442250412795605
Energy: 0.7941625440489487
Energy: 0.40442250412016106
Energy: 0.7989055702712204
Energy: 0.4076983707377494
Energy: 0.7281215844676883
Energy: 0.4076983707387887
Energy: 0.7978177501442093
Energy: 0.37573286344985984
Energy: 0.7951778329828467
Energy: 0.37573286341867995
Energy: 0.7958514722245371
Energy: 0.3730084894807828
Energy: 0.6427102550422641
Energy: 0.3730084894813025
Energy: 0.9394782313686882
Energy: 0.37271138187200137
Energy: 0.5584319695602725
Energy: 0.372711381870962
Energy: 0.8006590787709928
Energy: 0.3770435825746651
Energy: 0.6472859740807723
Energy: 0.37704358257362575
Energy: 0.938838141228645
Energy: 0.3745790147532061
Energy: 0.47141831450408456
Energy: 0.3745790147532061
Energy: 0.9363653961819774
Energy: 0.37427304879937817
Energy: 0.47062791081929667
Energy: 0.37427304879989787
Energy: 0.9343925375200802
Energy: 0.37700327695836283
Energy: 0.38428640967672184
Energy: 0.37700327693915886
Energy: 1.0088448582065368
Energy: 0.3762139921581582
Energy: 0.37745785943984334
Energy: 0.37621399215763857
Energy: 1.0072974692010195
Energy: 0.3766213207715717
Energy: 0.3748960724922711
Energy: 0.3766213207715717

minimum gb energy = 0.3722120045602597 eV
minimum distance =  2.65647030934766 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.0772284117893594
Energy: 0.3371541331799165
Energy: 0.33725748706448283
Energy: 0.33715413319208565
Energy: 0.9640931084298844
Energy: 0.33787141305457397
Energy: 0.4216417248305395
Energy: 0.3378714130532218
Energy: 0.9338957208860189
Energy: 0.3377233818723358
Energy: 0.42159400972728356
Energy: 0.33772338187278655
Energy: 0.8051143789055215
Energy: 0.3418121325069991
Energy: 0.5753027093395738
Energy: 0.3418121325069991
Energy: 0.9345118051697864
Energy: 0.3365861968932401
Energy: 0.5746144121308535
Energy: 0.3365861968959443
Energy: 0.8089591964037295
Energy: 0.3370377557065655
Energy: 0.5757366203223385
Energy: 0.33703775570431194
Energy: 0.8061107275229072
Energy: 0.3376806907262602
Energy: 0.7138339027163598
Energy: 0.33768069073166873
Energy: 0.8440880037596602
Energy: 0.33758144963706577
Energy: 0.6117858052736369
Energy: 0.3375814496776089
Energy: 0.811118323501193
Energy: 0.33774744643752264
Energy: 0.710714387339923
Energy: 0.3377474464550797
Energy: 0.8100233197832412
Energy: 0.3931267596383612
Energy: 0.838924360290306
Energy: 0.39312675963791055
Energy: 0.7113893136982702
Energy: 0.3368436478686493
Energy: 0.7418377081451527
Energy: 0.3368436478402753
Energy: 0.6768786217193888
Energy: 0.3363801956929275
Energy: 0.8391076942989568
Energy: 0.33638019569698385
Energy: 0.711183196590322
Energy: 0.336620852350987
Energy: 0.8717853298998822
Energy: 0.3366208523505363
Energy: 0.5740713425220195
Energy: 0.33823307400014757
Energy: 0.740660241748838
Energy: 0.33823307400330244
Energy: 0.5374034859480252
Energy: 0.33651632559826083
Energy: 0.9616356198875319
Energy: 0.33651632559826083
Energy: 0.5759409991220885
Energy: 0.3378384611718825
Energy: 0.8732284545788671
Energy: 0.337838461170981
Energy: 0.4152660379218793
Energy: 0.33704488915043646
Energy: 0.8695908860589682
Energy: 0.33704488915088715
Energy: 0.41861298653105167
Energy: 0.3362796299086172
Energy: 0.9932898206048016
Energy: 0.3362796299086172
Energy: 0.41411963828190596
Energy: 0.3373420589573914
Energy: 0.9914124095474629
Energy: 0.3373420589546871
Energy: 0.382766123077024
Energy: 0.3364265663459055
Energy: 0.9914770966824992
Energy: 0.3364265663445534
Energy: 0.37552992835114374
Energy: 0.3348892545070112
Energy: 1.0227284378044998
Energy: 0.3348892545034055
Energy: 0.3811085918332126
Energy: 0.3349159295936246
Energy: 0.9005773428679597
Energy: 0.3349159295936246
Energy: 0.4644587678562656
Energy: 0.33766021688307846
Energy: 1.0207101356962747
Energy: 0.337660216882177
Energy: 0.45856235738693574
Energy: 0.33639909852165945
Energy: 1.0229709928559472
Energy: 0.33639909852075794
Energy: 0.4614806973271203
Energy: 0.3349824369488308
Energy: 0.8050274820577141
Energy: 0.3349824369492815
Energy: 0.5727961980193911
Energy: 0.33672797432551865
Energy: 0.9323429831821813
Energy: 0.33672797432596935
Energy: 0.5727696825989946
Energy: 0.3361720992130739
Energy: 0.9334094394886677
Energy: 0.3361720992139753
Energy: 0.6419913893881769
Energy: 0.3362928776437179
Energy: 0.8061899219061676
Energy: 0.3362928776338024
Energy: 0.7130105762718544
Energy: 0.3362492036354782
Energy: 0.9328928871224571
Energy: 0.3362492036656755
Energy: 0.7118141530126921
Energy: 0.33616379716687766
Energy: 0.808132611474527
Energy: 0.33616379714073663
Energy: 0.8572281708470328
Energy: 0.3930436821958913
Energy: 0.6755662182145031
Energy: 0.3930436821981448
Energy: 0.7417473114204169
Energy: 0.393035512738695
Energy: 0.813042584643699
Energy: 0.3930355127328358
Energy: 0.8413330004508504
Energy: 0.442507924305326
Energy: 0.6781362248780971
Energy: 0.4425079243044246
Energy: 0.9071274599190114
Energy: 0.3373428586814663
Energy: 0.6792457479498601
Energy: 0.33734285868056485
Energy: 0.7408132070851927
Energy: 0.3390605247608204
Energy: 0.575307310966824
Energy: 0.339060524759919
Energy: 0.9651437153782443
Energy: 0.33673967714893843
Energy: 0.5741146098383076
Energy: 0.3367396771471356
Energy: 0.9917791169805428
Energy: 0.3372639496520821
Energy: 0.5754501934917203
Energy: 0.3372639496516315
Energy: 0.8695427605065484
Energy: 0.33799172186159
Energy: 0.42061955707569726
Energy: 0.3379917218602379
Energy: 1.0254318224221879
Energy: 0.33675652651279303
Energy: 0.41821278647838284
Energy: 0.3367565265132437
Energy: 0.991476591307132
Energy: 0.3397438989330014
Energy: 0.42271579575193247
Energy: 0.3397438989339028
Energy: 0.8685682200516215
Energy: 0.3384142513914634
Energy: 0.33774411656458425
Energy: 0.33841425138920983
Energy: 1.0240219378760107
Energy: 0.3366954012011169
Energy: 0.33710063887526026
Energy: 0.3366954012011169
Energy: 0.9313870228838993
Energy: 0.3378075866615688
Energy: 0.33698967005728125
Energy: 0.33780758666247024

minimum gb energy = 0.3348892545034055 eV
minimum distance =  2.65020209191466 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.009715422981914863
Energy: 0.2930152474895549
Energy: 0.771483778014401
Energy: 0.2930152474902286
Energy: 0.548932767042351
Energy: 0.07124294857663221
Energy: 0.5485891696515927
Energy: 0.07124294857695945
Energy: 0.010100034884112047
Energy: 0.07069432889966007
Energy: 0.547915173769272
Energy: 0.07069432889966007
Energy: 0.010838492010284272
Energy: 0.07237528833105696
Energy: 0.5511981485307919
Energy: 0.07237528833038324
Energy: 0.5502687826709197
Energy: 0.07256202898800655
Energy: 0.5503104675694821
Energy: 0.07256202898800655
Energy: 0.009972217773843673
Energy: 0.07069450773615311
Energy: 0.547622622500932
Energy: 0.07069450773615311

minimum gb energy = 0.009715422981914863 eV
minimum distance =  2.85536484480922 Angstroms
sigma value = 1