Model name: model_name=MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_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=3.611098513007164
cohesive_energy=4.242432871230321
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=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.73183642732292e-19, 5.01901056720108e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.016398324085166407
Energy: 0.652737357513674
Energy: 0.017298093521061934
Energy: 0.0166265152029476
Energy: 0.6522460237107901
Energy: 0.016768845171398993
Energy: 0.6527373575149312
Energy: 0.10664947486667009
Energy: 0.10648949588814811
Energy: 0.10633931974063965
Energy: 0.10652335725091354
Energy: 0.10740966131921535
Energy: 0.017298093521655587
Energy: 0.1064894958887767
Energy: 0.10731809080676613
Energy: 0.016948329306043796
Energy: 0.10641535792427917
Energy: 0.1070926033032514
Energy: 0.016626515204169825
Energy: 0.10633931973973171
Energy: 0.016948329306043796
Energy: 0.01669508705594926
Energy: 0.10649237654993365
Energy: 0.016819790926738267
Energy: 0.6522460237114186
Energy: 0.10652335725091354
Energy: 0.10641535792459346
Energy: 0.10649237654993365
Energy: 0.1062599887333181
Energy: 0.10634879672633649
Energy: 0.016768845171398993
Energy: 0.10740966131890109
Energy: 0.10709260330510219
Energy: 0.016819790926109694
Energy: 0.106348796727873
Energy: 0.016894865867152376

minimum gb energy = 0.016398324085166407 eV
minimum distance =  2.54925234489802 Angstroms
sigma value = 1


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

Energy: 1.4172355031878232
Energy: -0.23067323041454404
Energy: 0.43685967980537554
Energy: 0.6750626149345332
Energy: -0.3750936824602154
Energy: 0.4434251797764814
Energy: 1.3238431780462623
Energy: 0.5853742008169746
Energy: 0.5866733506121555
Energy: 0.5845367766827214
Energy: 0.4657721017064168
Energy: 0.5871106823281365
Energy: 1.3631428579645095
Energy: 0.567680752172338
Energy: 0.5612729160808797
Energy: 0.6756437859599124
Energy: 0.46410301480756316
Energy: 0.5862074592300096
Energy: 1.5110560674591218
Energy: 0.586352063533998
Energy: 0.6568336886496069
Energy: -0.17598121368548686
Energy: 0.6147088285678706
Energy: 0.6555717549641487
Energy: 0.567000520079702
Energy: 0.5854333019876692
Energy: 0.5862351951509893
Energy: 0.5792708795301085
Energy: 0.586989527976188
Energy: 0.5867264740357158
Energy: 1.2953033410542518
Energy: 0.6616324766184006
Energy: 0.6791135359904187
Energy: 0.6769191785943092
Energy: 0.6714491769644311
Energy: 0.6762922408898696
Energy: 1.3360437167856558
Energy: 0.6777600329382238
Energy: 0.6773779472245129
Energy: 0.6775993188742631
Energy: 0.6603010804258521
Energy: 0.6773055093807085
Energy: 1.3201575084073358
Energy: 0.6794420455113126
Energy: 0.6753004947353591
Energy: 0.6693823278808961
Energy: 0.679973984493196
Energy: 0.6789195416992702
Energy: 1.0327966132478479
Energy: 0.6788039692769835
Energy: 0.6797805172518535
Energy: 0.5858008068469683
Energy: 0.677356008125549
Energy: 0.6758470538118717
Energy: 1.0309633311905777
Energy: 0.5868824638395197
Energy: 0.5866714475258182
Energy: -0.1584547870845097
Energy: 0.580327489782652
Energy: 0.5867289751106982
Energy: 1.09105641760849
Energy: 0.6403231564039388
Energy: 0.6381807029494734
Energy: 0.6145637637330873
Energy: -0.4221562691825487
Energy: 0.6652157862381889
Energy: 0.834456128269425
Energy: 0.5866456994502214
Energy: 0.5866889323711632
Energy: 0.46049309409341943
Energy: 0.6748273035545144
Energy: 0.5863179759179796
Energy: 0.833392106126011
Energy: 0.5834757921866879
Energy: 0.5853022892341955
Energy: 0.567212138324784
Energy: 0.5823389935346732
Energy: 0.5869579296900946
Energy: 0.9011203195936305
Energy: 0.5657178380229027
Energy: 0.5512086358414267
Energy: 0.15477339874187815
Energy: -0.33556462782149976
Energy: 0.6076068366617917
Energy: 0.8898730284226117
Energy: 0.5845737123308629
Energy: 0.5879301557649185
Energy: 0.4653742324959461
Energy: 0.5830997912421871
Energy: 0.5867750307617012
Energy: 0.8904902444794635
Energy: 0.6796415781528886
Energy: 0.6770708861519661
Energy: 0.4691060189556329
Energy: 0.6782733219772583
Energy: 0.6527819029048297
Energy: 1.1174529247828555
Energy: 0.6592962554913534
Energy: 0.6569221799354301
Energy: 0.6604169790811593
Energy: 0.5400282624675049
Energy: 0.6515461634279842
Energy: 1.204268199098426
Energy: 0.6790602324085127
Energy: 0.6783361641923165
Energy: 0.6773459718848409
Energy: 0.6767814612262042
Energy: 0.6780909088068944
Energy: 1.1722197223296777
Energy: 0.6793719043150155
Energy: 0.6771631564254794
Energy: 0.6773433256622713
Energy: 0.6798261606729774
Energy: 0.6768501456021219
Energy: -0.32306745380487883
Energy: 0.6793791376355557
Energy: 0.6792165701479882
Energy: 0.6769489754040955
Energy: 0.6778397558394854
Energy: 0.6768968710518511
Energy: 0.5600819194048162
Energy: 0.6594494138826601
Energy: 0.6475716598337233
Energy: 0.38453683666158
Energy: 0.6593408686277352
Energy: 0.6407468970692621
Energy: 1.283839452213866
Energy: 0.6605909768886848
Energy: 0.24461926136819373
Energy: 0.6742553084470663
Energy: 0.5626582066654472
Energy: 0.6770814906509017
Energy: 1.4001159652816078
Energy: 0.5858013900271096
Energy: 0.5867137285629486
Energy: 0.485626564911994
Energy: 0.4660589172882293
Energy: 0.5871470579710549

minimum gb energy = -0.4221562691825487 eV
minimum distance =  2.38055281217346 Angstroms
sigma value = 33


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

Energy: 1.8428626390094258
Energy: 0.7490314777666052
Energy: 0.7809137579696906
Energy: 0.7508894804875949
Energy: 0.7990984667611816
Energy: 0.7508052750732553
Energy: 0.7647069876938887
Energy: 0.7460960845131184
Energy: 0.7369067553873692
Energy: 0.7380666997517625
Energy: 0.7464431305847714
Energy: 0.7363460983010314
Energy: 1.3373858653036876
Energy: 0.7469572380962971
Energy: 0.7382979654681129
Energy: 0.7344766815155374
Energy: 0.7444056741849358
Energy: 0.7377162884704569
Energy: 1.3903579035347875
Energy: 0.7594164274225571
Energy: 0.7584992612776752
Energy: 0.7287938975720184
Energy: 0.7604630359492663
Energy: 0.7387978723015611
Energy: 0.11666956253825446
Energy: 0.7382708163103948
Energy: 0.7359265326428247
Energy: 0.7382797253483662
Energy: 0.7465944961832381
Energy: 0.7343979633228002
Energy: 1.3868660542151128
Energy: 0.7477634371709672
Energy: 0.7435628993764465
Energy: 0.7422813166792852
Energy: 0.7476465614141147
Energy: 0.7428389152683604
Energy: 1.3867125636486297
Energy: 0.7453957421290546
Energy: 0.7445264801582064
Energy: 0.7424298540876079
Energy: 0.7444653872568068
Energy: 0.7439238121660743
Energy: 1.1809148330051304
Energy: 0.7301968546623094
Energy: 0.7327557867919828
Energy: 0.7429517943848526
Energy: 0.7305295426909509
Energy: 0.7310209899839449
Energy: 1.004201255647231
Energy: 0.7325197185021842
Energy: 0.7406173587599086
Energy: 0.7500633546322986
Energy: 0.7337869025037536
Energy: 0.7410519255519559
Energy: 1.0043376032405373
Energy: 0.736515267332574
Energy: 0.7351195444918343
Energy: 0.7490051950117712
Energy: 0.7381631373670617
Energy: 0.7357216969665676
Energy: 0.9700660914952747
Energy: 0.7345233325237998
Energy: 0.7332126136999785
Energy: 0.7487667442213063
Energy: 0.731533158147924
Energy: 0.734964850048814
Energy: 0.8356346736438828
Energy: 0.7310199835763953
Energy: 0.7375540694299502
Energy: 0.7455377466519583
Energy: 0.7311681522084721
Energy: 0.7371151047675889
Energy: 0.8355578689463151
Energy: 0.7374160021817056
Energy: 0.738578581043373
Energy: 0.7467827422124252
Energy: 0.736921608912867
Energy: 0.7380119478709032
Energy: 1.051231346228406
Energy: 0.7285032488799207
Energy: 0.7388763440502412
Energy: 0.746112884910272
Energy: 0.729244306590055
Energy: 0.738924700616285
Energy: 1.0048919087778865
Energy: 0.7362462052407943
Energy: 0.7346770875028303
Energy: 0.7463482475954387
Energy: 0.7377513004361214
Energy: 0.7354200519382396
Energy: 1.004525830226244
Energy: 0.742323777790807
Energy: 0.7419117879060692
Energy: 0.7466412208491713
Energy: 0.7427158117254855
Energy: 0.7423087857376596
Energy: 1.3413561258816689
Energy: 0.742873967013039
Energy: 0.7433665350101422
Energy: 0.749449035626568
Energy: 0.742083859748067
Energy: 0.7455287120711455
Energy: 1.176374534555571
Energy: 0.7451634946069755
Energy: 0.7448114910170762
Energy: 0.7305732364039345
Energy: 0.7440754585713524
Energy: 0.7299432542754979
Energy: 1.1805001847509453
Energy: 0.747538592196664
Energy: 0.7433238229880341
Energy: 0.7335421329676537
Energy: 0.7476826245350815
Energy: 0.7420593596234998
Energy: -0.1143393711183698
Energy: 0.7480999279858894
Energy: 0.7358886064496298
Energy: 0.7385953065686022
Energy: 0.7488737927196915
Energy: 0.7345136726561529
Energy: 1.5950976706082145
Energy: 0.748680970274822
Energy: 0.7399028700849892
Energy: 0.7336710232454127
Energy: 0.7484116408368047
Energy: 0.7321708697795913
Energy: 1.4339038602353384
Energy: 0.7467520735570256
Energy: 0.7380557722132933
Energy: 0.7317740419297508
Energy: 0.7463404513323512
Energy: 0.7381554810867332
Energy: 1.3269142887264334
Energy: 0.7465471822118909
Energy: 0.7373025752373212
Energy: 0.7371881877712293
Energy: 0.7459228141281062
Energy: 0.736788478108408
Energy: 1.3908904165137341
Energy: 0.7467004684052736
Energy: 0.7578702182020486
Energy: 0.7307572643249329
Energy: 0.7543502277967687
Energy: 0.7435633240837455
Energy: -0.14340935402879892
Energy: 0.7374498173007513
Energy: 0.736805321072626
Energy: 0.7375944034413925
Energy: 0.7466272345498167
Energy: 0.7357755421703998
Energy: 1.388227874076162
Energy: 0.7459629492341109
Energy: 0.7416416824634228
Energy: 0.7424723406780376
Energy: 0.746673591272191
Energy: 0.7404048573781479
Energy: 1.388583714356348
Energy: 0.7485324172768745
Energy: 0.7439004859525005
Energy: 0.7480221122664127
Energy: 0.7491734510530279
Energy: 0.7435886142732094
Energy: 1.2846078127303433
Energy: 0.7313972306314401
Energy: 0.7308414468574748
Energy: 0.7442383996508516
Energy: 0.7324044099737966
Energy: 0.7432385143573034
Energy: 1.006051433078758
Energy: 0.730800258380624
Energy: 0.7308296027811351
Energy: 0.7479135288913266
Energy: 0.7311203688971609
Energy: 0.7435693082123918
Energy: 1.005763416718776
Energy: 0.7352670988522826
Energy: 0.734098145919763
Energy: 0.7988017833858214
Energy: 0.7373284701513437
Energy: 0.7343041457244083
Energy: 1.1296392885225444
Energy: 0.7316861532112265
Energy: 0.7318056325364646
Energy: 0.7472797104028851
Energy: 0.732237687788157
Energy: 0.7319037993575273
Energy: 0.8330135488691683
Energy: 0.7310179456973628
Energy: 0.7311782569459367
Energy: 0.7460065307770826
Energy: 0.7313185590904167
Energy: 0.7368759633418855
Energy: 0.8375417715467797
Energy: 0.7368041255697055
Energy: 0.7356307491193611
Energy: 0.7466039553665893
Energy: 0.7371282813002719
Energy: 0.7360583848709844
Energy: 0.8349620685173818
Energy: 0.7291379624656962
Energy: 0.728969710812926
Energy: 0.7447839020874112
Energy: 0.7303315909343673
Energy: 0.7287852773117456
Energy: 0.9928478284708128
Energy: 0.7385179127354753
Energy: 0.7376997328585977
Energy: 0.7459456648527965
Energy: 0.7370531496638251
Energy: 0.7371203249894303
Energy: 1.0036120585987727
Energy: 0.7418242504747429
Energy: 0.7399637189952102
Energy: 0.7469720425182589
Energy: 0.7425687545504127
Energy: 0.7399130857190249
Energy: 1.2430276776322784
Energy: 0.7470910423540699
Energy: 0.7452544735241728
Energy: 0.7696538136029821
Energy: 0.748603907560233
Energy: 0.7435507572989308
Energy: 1.1816159863927693
Energy: 0.7436925281903446
Energy: 0.7425621750118327
Energy: 0.7343795382204197
Energy: 0.745678115203207
Energy: 0.7414480559784727
Energy: 1.175897616671408
Energy: 0.7496301197481852
Energy: 0.7449933664541855
Energy: 0.7304230105616635
Energy: 0.7479653453389502
Energy: 0.7304949987357913
Energy: 0.6249631302127905
Energy: 0.7485072295162831
Energy: 0.735311899665196
Energy: 0.7384092023994839
Energy: 0.7978957289765722
Energy: 0.7337740262103226
Energy: 1.60119189297239
Energy: 0.7360173070595897
Energy: 0.732513418582841
Energy: 0.7322699180886453
Energy: 0.7468031982614824
Energy: 0.7315990835249824

minimum gb energy = -0.14340935402879892 eV
minimum distance =  2.37935444208149 Angstroms
sigma value = 51


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

Energy: 1.71133354200686
Energy: 0.5732960999947175
Energy: 0.5636185755749918
Energy: 0.6860060002065189
Energy: 0.575773641225721
Energy: 0.8288927209816311
Energy: 1.2026154797701254
Energy: 0.5759996474474924
Energy: 0.5834066892522928
Energy: 0.5764076316614731
Energy: 0.5743153484823325
Energy: 0.6585144760113121
Energy: 1.4091798608918535
Energy: 0.57454224344747
Energy: 0.5760886138472995
Energy: 0.6826791238150268
Energy: 0.5736425778818611
Energy: 0.6848797433589258
Energy: 1.4089789304805667
Energy: 0.1845062236569404
Energy: 0.23720866742700727
Energy: 0.6712821526299045
Energy: 0.3468559741581673
Energy: 0.6479151608356896
Energy: 1.2018149518670456
Energy: 0.6843331039554429
Energy: 0.574948758259532
Energy: 0.5992956114722742
Energy: 0.6841800058744197
Energy: 0.5755746151792979
Energy: 1.1617162404422599
Energy: 0.571640894111466
Energy: 0.5754481179455957
Energy: 0.611260134330185
Energy: 0.6125074320572323
Energy: 0.5746304266882418
Energy: 1.1618164421400177
Energy: 0.5711930495460464
Energy: 0.5691909008226738
Energy: 0.6132141920547152
Energy: 0.5716350083319917
Energy: 0.5733555647678359
Energy: 1.2517970820646536
Energy: 0.5560578145965308
Energy: 0.5577870393245251
Energy: 0.5708456693959962
Energy: 0.7499617497702725
Energy: 0.7678085586182516
Energy: 0.8685262437218572
Energy: 0.7901745425170242
Energy: 0.5595141495284311
Energy: 0.5738018761404815
Energy: 0.5555360696943394
Energy: 0.5821566982830313
Energy: 0.8689164066314684
Energy: 0.589867458300089
Energy: 0.7068343680222765
Energy: 0.5817157105008687
Energy: 0.6721997489200656
Energy: 0.6556863656049094
Energy: 0.8727889187789697
Energy: 0.637358936877236
Energy: 0.6718463293740657
Energy: 0.5784028880795478
Energy: 0.7017415961852902
Energy: 0.6715645781643768
Energy: 0.9516749520325846
Energy: 0.2033117162117651
Energy: 0.2811887194851675
Energy: 0.5803324784347316
Energy: 0.6430384241442434
Energy: 0.20424411194161607
Energy: 0.9526605301104559
Energy: 0.7841521079918377
Energy: 0.7842076064275475
Energy: 0.5802450757727988
Energy: 0.8063312482469983
Energy: 0.784853681902524
Energy: 1.1933142049844876
Energy: 0.7051032990130375
Energy: 0.7057908164689346
Energy: 0.6726159773188463
Energy: 0.637770396388267
Energy: 0.6870016844987435
Energy: 1.2718149161810255
Energy: 0.5841023172849306
Energy: 0.690065331183038
Energy: 0.7727414333853289
Energy: 0.5806830640885083
Energy: 0.7841521945146491
Energy: 1.2731273284393867
Energy: 0.5712311183591214
Energy: 0.5808677844142739
Energy: 0.5698332881218231
Energy: 0.5750521315175747
Energy: 0.5637766746017546
Energy: 1.385750577052734
Energy: 0.5737230530135212
Energy: 0.5785310237684985
Energy: 0.7136724952185641
Energy: 0.575438158868042
Energy: 0.6792170721190952
Energy: 1.5443187589619003
Energy: 0.5732455519493725
Energy: 0.59406080525567
Energy: 0.7503956025346785
Energy: 0.5752423619083487
Energy: 0.6142111348729128

minimum gb energy = 0.1845062236569404 eV
minimum distance =  2.38692441921804 Angstroms
sigma value = 19


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

Energy: 1.4335973215046407
Energy: 0.8169680750341247
Energy: 0.848224721901378
Energy: 0.7744448765983705
Energy: 0.8166633301163879
Energy: 0.7902007949383516
Energy: 1.0802638259232908
Energy: 0.8171982663422659
Energy: 0.816975375832266
Energy: 0.845918398306876
Energy: 0.8172336165052785
Energy: 0.8533918969114235
Energy: 0.9243444643495861
Energy: 0.8172845090222745
Energy: 0.8172339966666029
Energy: 0.8304727861393654
Energy: 0.8174348452274112
Energy: 0.8178267292519773
Energy: 1.083065267464663
Energy: 0.9267951658840918
Energy: 0.926279482683069
Energy: 0.8138122140594052
Energy: 0.817049980482129
Energy: 0.9248449642743743
Energy: 0.7555496894653331
Energy: 0.8537137720321861
Energy: 0.8532658381953574
Energy: 0.8038533480069704
Energy: 0.8551253908732793
Energy: 0.8672292485436252
Energy: 1.080181697618243
Energy: 0.8013358130278195
Energy: 0.8470937099953576
Energy: 0.85816389732169
Energy: 0.8009939771297532
Energy: 0.851534017939843
Energy: 1.079570024447093
Energy: 0.845397130386394
Energy: 0.8463112026326696
Energy: 0.8531615772253079
Energy: 0.8040497533809576
Energy: 0.8535338474158829
Energy: 0.9233873331759335
Energy: 0.8013912968407544
Energy: 0.8015337136646731
Energy: 0.8177108855665773
Energy: 0.7731954350470068
Energy: 0.8032187634275216
Energy: 0.8172163410395041
Energy: 0.8538461333693631
Energy: 0.8558859381820498
Energy: 0.8173140195636324
Energy: 0.8525970521211358
Energy: 0.801548785042731
Energy: 0.8189134199334901
Energy: 0.8464775467244139
Energy: 0.86657357679523
Energy: 0.817484243594642
Energy: 0.8048814310506143
Energy: 0.8169840481947769
Energy: 0.8189925366297942
Energy: 0.8110937016793173
Energy: 0.8098100359612039
Energy: 0.8181913862118365
Energy: 0.8117443016397144
Energy: 0.8165465117672858
Energy: 1.1331058213398422
Energy: 0.8049189702142197
Energy: 0.8666680734296318
Energy: 0.8170701673523921
Energy: 0.8045835991753527
Energy: 0.8534355682444833
Energy: 0.8029990548918188
Energy: 0.8532102480226555
Energy: 0.853437865011764
Energy: 0.805427586816208
Energy: 0.8534278960043428
Energy: 0.8475244890938607
Energy: 1.1330267001656484
Energy: 0.8576398050314749
Energy: 0.8577801002034399
Energy: 0.8041831893775414
Energy: 0.8261883922273986
Energy: 0.8485564961539647
Energy: 1.3513816827337546
Energy: 0.8174732982955203
Energy: 0.8172153037580924
Energy: 0.8522283252010673
Energy: 0.8174269999556989
Energy: 0.8557301777627309
Energy: 1.3538937405784925
Energy: 0.8172829081663415
Energy: 0.8027316727933708
Energy: 0.7731010276683481
Energy: 0.8183807005000925
Energy: 0.8013589733091195
Energy: 0.755693358615191
Energy: 0.8174091496311628
Energy: 0.8169124606979544
Energy: 0.804099161393839
Energy: 0.818777249043402
Energy: 0.8530666769950177
Energy: 1.0848438985983653
Energy: 0.81719744390081
Energy: 0.8174142783400722
Energy: 0.8144238354058452
Energy: 0.8173210316322067
Energy: 0.8185111355213879
Energy: 1.0854179830730486
Energy: 0.8173772763038973
Energy: 0.8177412283002848
Energy: 0.8153587463813761
Energy: 0.8172197448233353
Energy: 0.8546270471880922
Energy: 1.079239586772945
Energy: 0.8011542040735478
Energy: 0.8483529289052
Energy: 0.8042877610020043
Energy: 0.8010023088480667
Energy: 0.8456613688590057
Energy: 1.0795031273060187
Energy: 0.8536825816082487
Energy: 0.8537849869650102
Energy: 0.8289973562059074
Energy: 0.8549473961730782
Energy: 0.8524902362754259
Energy: 1.079272981936594
Energy: 0.84557970509824
Energy: 0.85338304868995
Energy: 0.8545439773007665
Energy: 0.8041847550074072
Energy: 0.8533935547308487
Energy: 0.9815789006658009
Energy: 0.7705280701522932
Energy: 0.7735055816014931
Energy: 0.9238070813521579
Energy: 0.7728572673830093
Energy: 0.802457447607454
Energy: 0.8172472225765439
Energy: 0.8668970831494548
Energy: 0.8533431382552269
Energy: 0.8171865668098509
Energy: 0.8571225396857349
Energy: 0.8170427272459715
Energy: 0.8174090344036825
Energy: 0.867362732045472
Energy: 0.8540079387082987
Energy: 0.8173382509715391
Energy: 0.8294513822983666
Energy: 0.817171548497267
Energy: 0.8043821752172295
Energy: 0.8124440095240234
Energy: 0.8097653874278602
Energy: 0.8185414611108295
Energy: 0.8125716257335114
Energy: 0.8172812557020447
Energy: 1.1314114511240458
Energy: 0.8044363424708291
Energy: 0.8463506636876545
Energy: 0.8171010042045435
Energy: 0.8038829783542366
Energy: 0.8532741196708836
Energy: 0.8013031520808601
Energy: 0.8562592973743104
Energy: 0.8575240394168256
Energy: 0.800978437707839
Energy: 0.8535327317107873
Energy: 0.84815214694168
Energy: 1.065836930353969
Energy: 0.8560361238882891
Energy: 0.857470897024796
Energy: 0.8042134727441866
Energy: 0.8532071296728513
Energy: 0.8486817343403392
Energy: 1.3526171429246956
Energy: 0.8176006916964599
Energy: 0.8019841617121487
Energy: 0.7757317611241471
Energy: 0.8173048522303045
Energy: 0.8013014800965235

minimum gb energy = 0.7555496894653331 eV
minimum distance =  2.38379976332754 Angstroms
sigma value = 27


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

Energy: 1.1334384819710366
Energy: 0.6390507781267958
Energy: 0.9548269128093554
Energy: 0.5839046258324487
Energy: 0.6392800422103369
Energy: 0.8773405145324492
Energy: 0.6452590791581334
Energy: 0.6383901579334633
Energy: 0.6406564823797868
Energy: 0.6459039554480025
Energy: 0.6379122881960394
Energy: 0.6457563608672333
Energy: 1.374108471914691
Energy: 0.6380811014395059
Energy: 0.64587943588173
Energy: 0.6408490402759255
Energy: 0.6375921247463582
Energy: 0.6480880472136389
Energy: 1.3687196343948944
Energy: 0.7713971255966627
Energy: 0.7707406180053546
Energy: 0.6435854975853866
Energy: 0.770877911664222
Energy: 0.757403298819303
Energy: 1.0178030371764741
Energy: 0.6198817003218816
Energy: 0.6479824158969072
Energy: 0.6428477779686801
Energy: 0.6201333014441065
Energy: 0.6477851982153497
Energy: 0.8768087624468991
Energy: 0.6170533193912304
Energy: 0.6163513209779138
Energy: 0.8034952004860032
Energy: 0.6003906480643015
Energy: 0.6165543384829218
Energy: 0.8073423795230249
Energy: 0.6459121035609164
Energy: 0.6454089491972413
Energy: 0.741051251147415
Energy: 0.6446260969513996
Energy: 0.6421224682854306
Energy: 0.9808287858926383
Energy: 0.6187788336855277
Energy: 0.6381856402368217
Energy: 0.9031435818495538
Energy: 0.6254421327326547
Energy: 0.6384889061165704
Energy: 0.9461575116682526
Energy: 0.6426543125617086
Energy: 0.6325700021833668
Energy: 0.642151723840671
Energy: 0.6430538246178433
Energy: 0.6428526742866115
Energy: 0.9486130888080164
Energy: 0.6432049011203385
Energy: 0.6457733266217249
Energy: 0.6440510027520039
Energy: 0.6443303818933485
Energy: 0.644939108953189
Energy: 0.9464402243364856
Energy: 0.6350856705151112
Energy: 0.6328850016551061
Energy: 0.6445280909961563
Energy: 0.6403281239876328
Energy: 0.6339988809755562
Energy: 0.6361264550403327
Energy: 0.6425169436218756
Energy: 0.6443553092635986
Energy: 0.6467401830492011
Energy: 0.6426000037015583
Energy: 0.6439633036076634

minimum gb energy = 0.5839046258324487 eV
minimum distance =  2.40912435441042 Angstroms
sigma value = 9


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

Energy: 0.8386501242338875
Energy: -0.25216769057311866
Energy: 0.5313727058229573
Energy: 0.6309296196822058
Energy: 0.44871578304088444
Energy: -1.5701489848055605
Energy: 0.959031730151223
Energy: 0.4827982730153553
Energy: 0.5603358990784589
Energy: 0.5371212137712532
Energy: -0.8498265082500684
Energy: 0.5601151953992047
Energy: 1.070610805691545
Energy: 0.5254061952250922
Energy: 0.527547237533261
Energy: 0.548665144991242
Energy: 0.5335605556926982
Energy: 0.5303547364256419
Energy: 1.0699326365450537
Energy: 0.6097701181927431
Energy: 0.6099359028944289
Energy: 0.4938827099103218
Energy: 0.524325998633676
Energy: 0.6112980555001017
Energy: 0.6203700919309787
Energy: 0.49967489997389825
Energy: 0.5022058233192943
Energy: 0.5622304121750871
Energy: 0.5166910075143304
Energy: 0.5477777019399798
Energy: 0.7674828432548169
Energy: 0.5089599356130698
Energy: 0.5434373483517628
Energy: 0.486867964354725
Energy: 0.4796290704561299
Energy: 0.5316803282384068
Energy: 0.6715894448420043
Energy: 0.5196222367950569
Energy: 0.5369934047993111
Energy: 0.4798148800766879
Energy: 0.5168092619284115
Energy: 0.5250975267986911
Energy: 0.7239877216982962
Energy: 0.5087547001760871
Energy: 0.5233859810698246
Energy: 0.5072857442161613
Energy: 0.5091825215116279
Energy: 0.4988225486459172
Energy: 0.5709056981392814
Energy: 0.5118859541213074
Energy: 0.5179837498182867
Energy: 0.5220846429100994
Energy: 0.5059618439812967
Energy: 0.52223172191221
Energy: 1.2392552323599721
Energy: 0.6586461238034574
Energy: 0.6115955403403527
Energy: 0.4377815741812066
Energy: 0.7675595472057031
Energy: 0.5170471324219716
Energy: 1.235877267659999
Energy: 0.5180479406733393
Energy: 0.5224469395956389
Energy: 0.514024006016752
Energy: 0.5256401763552904
Energy: 0.5232158897804174
Energy: 0.9578502971971421
Energy: 0.5067463703698388
Energy: 0.5455713971780277
Energy: 0.4884585752304414
Energy: 0.47054434923733235
Energy: 0.5224693003426503
Energy: 1.044363316318674
Energy: 0.39269050946875705
Energy: 0.4479098783983431
Energy: 0.4160001773818
Energy: 0.5991634841594159
Energy: 0.6448035022241227
Energy: 0.9576525805332615
Energy: 0.5378278056437847
Energy: 0.5487659222438921
Energy: 0.5284363871240153
Energy: 0.5376547858685063
Energy: 0.5249347139364728
Energy: 0.6830208694485758
Energy: 0.5003697662515185
Energy: 0.5043273491632253
Energy: 0.5245574948454808
Energy: 0.4992251930304482
Energy: 0.6039404049200406
Energy: 0.6836929879330326
Energy: 0.5472106608049992
Energy: 0.5263003756033505
Energy: 0.5346989255488158
Energy: 0.5488749249968576
Energy: 0.5432793570650525
Energy: 0.680079094369572
Energy: 0.4842213820492379
Energy: 0.5160037033857584
Energy: -0.06349793322387674
Energy: 0.48376561007132124
Energy: 0.5347694899118197
Energy: 0.5615108406871417
Energy: 0.4603918863811226
Energy: 0.4876903945949767
Energy: 0.41174946350434255
Energy: 0.5076404477100586
Energy: 0.5410643737254957
Energy: 0.8249356527984153
Energy: 0.5765858771224144
Energy: 0.5754506013868484
Energy: 0.553572653005233
Energy: 0.5737743542636693
Energy: 0.5492819969824386
Energy: 0.791727879054137
Energy: 0.5259212908506536
Energy: 0.5402244162043162
Energy: 0.5479023716178989
Energy: 0.526054625953434
Energy: 0.5404207142098343
Energy: 0.6054587098344865
Energy: 0.5413429190575918
Energy: 0.5456167292567102
Energy: 0.5660532986305871
Energy: 0.5411203545179032
Energy: 0.5474017504818831
Energy: 0.8381413268858943
Energy: 0.5079698622473365
Energy: 0.4963097456031413
Energy: 0.5665995671716642
Energy: 0.5351812733957036
Energy: 0.45297665285425276
Energy: 0.8432960437187192
Energy: 0.49718541200707883
Energy: 0.53691389439298
Energy: 0.5192450728358959
Energy: 0.5139344448430627
Energy: 0.5371863745452624
Energy: 0.9646945516681005
Energy: 0.5260797963354357
Energy: 0.5226626146876165
Energy: 0.541739301463406
Energy: 0.534610325481258
Energy: 0.5422036563694366
Energy: 1.0724624958005629
Energy: 0.49685874877272984
Energy: 0.5038396851628998
Energy: 0.4636967917950482
Energy: 0.53730959113106
Energy: 0.5191656958247195
Energy: 0.964570218535115
Energy: 0.52456872188458
Energy: 0.5272771382252534
Energy: 0.5483341489236665
Energy: 0.5341409603662395
Energy: 0.5259418934141581
Energy: 0.860973023792158
Energy: 0.4752994402090224
Energy: 0.06318352058557197
Energy: 0.7496465147327039
Energy: -1.9471702214825672
Energy: 0.6107643391966033
Energy: 0.67068280147283
Energy: 0.5212486444811527
Energy: 0.5263683737376368
Energy: 0.5131934652225233
Energy: 0.5210651208486088
Energy: 0.5479658862400976
Energy: 0.6701981581527607
Energy: 0.5143924646686204
Energy: 0.518196323184069
Energy: 0.526603817645494
Energy: 0.5366384949638782
Energy: 0.5223134940519524
Energy: 0.6930240252082378
Energy: 0.4248304172976054
Energy: 0.5224659582525955
Energy: 0.5446931567697008
Energy: 0.49266021895940704
Energy: 0.5219466148683227
Energy: 1.2340768570459995
Energy: 0.5175913408837608
Energy: 0.5219569302853
Energy: 0.5196328122022891
Energy: 0.5258053261833382
Energy: 0.5245669546213833
Energy: 1.2415116441899847
Energy: 0.6594964651142187
Energy: 0.659636815414591
Energy: 0.4386714948157467
Energy: 0.6512839548002497
Energy: 0.5171752145458668
Energy: 0.962462138172337
Energy: 0.4376556485620774
Energy: 0.5236721917209965
Energy: 0.5169844649625657
Energy: 0.4797281836389597
Energy: 0.5396887643812133
Energy: 1.042989145023552
Energy: 0.6095588355751036
Energy: 0.529206779677188
Energy: 0.4898126323155884
Energy: 0.6579099599204463
Energy: 0.5377608114948126
Energy: 1.0430059741993416
Energy: 0.528185473559711
Energy: 0.5383254450506133
Energy: 0.5041773261180164
Energy: 0.5376182485118831
Energy: 0.5470507728227597
Energy: 0.7308401904229186
Energy: 0.537547196923382
Energy: 0.5216688344500802
Energy: 0.6055977659289086
Energy: 0.5357006668144775
Energy: 0.6099013541262575
Energy: 0.7290961649873927
Energy: 0.523308401061272
Energy: 0.5223232557429143
Energy: 0.6110179248363664
Energy: 0.5114413074087286
Energy: 0.5289372834991309
Energy: 0.6803164364920742
Energy: 0.5305245550688511
Energy: 0.5307796127775456
Energy: 0.5186179406900122
Energy: 0.5271219049697403
Energy: 0.5494897867884977
Energy: 0.7166780399971723
Energy: 0.6890125806911269
Energy: 0.6907683264435122
Energy: 0.7597704327353882
Energy: -0.404238093993717
Energy: 0.6735309427494564
Energy: 0.8244596257840832
Energy: 0.5322074048188546
Energy: 0.5323169435013803
Energy: 0.5578379470217518
Energy: 0.5328932065721105
Energy: 0.5481859982959609
Energy: 0.7900410103745997
Energy: 0.5408507300536777
Energy: 0.5491348608617016
Energy: 0.52592627929881
Energy: 0.5021820915586284
Energy: 0.5492471050359773
Energy: 0.8251933088855843
Energy: 0.5413275164330985
Energy: 0.5405710976267897
Energy: 0.5433483996334129
Energy: 0.5106075633073281
Energy: 0.5469076062984817
Energy: 0.972488454451601
Energy: 0.5120474970771373
Energy: 0.5253886226429592
Energy: 0.5196001282425361
Energy: 0.5520007771101644
Energy: 0.5365658210955231

minimum gb energy = -1.9471702214825672 eV
minimum distance =  2.40082628774132 Angstroms
sigma value = 57


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

Energy: 0.38505941612604877
Energy: 0.304440535292595
Energy: 0.2835675723841958
Energy: 0.28197351287644795
Energy: 0.3042108959293598
Energy: 0.2817559442641855
Energy: 0.4575302580669071
Energy: 0.295463327102685
Energy: 0.29427291434224045
Energy: 0.29646937699450715
Energy: 0.2967164207808936
Energy: 0.2941782135826809
Energy: 0.46163447003708674
Energy: 0.29601457504003403
Energy: 0.2935524221587932
Energy: 0.2978758437118117
Energy: 0.29854175589915066
Energy: 0.2921161188822514
Energy: 0.461723911556428
Energy: 0.29613630603363894
Energy: 0.2941233684263962
Energy: 0.2997325936584322
Energy: 0.2988578038673563
Energy: 0.2932675185325403
Energy: 0.4567779608078468
Energy: 0.2842061763567581
Energy: 0.2845962593943854
Energy: 0.29815934930767474
Energy: 0.2850693621081232
Energy: 0.29504060574565943
Energy: 0.42594388378561443
Energy: 0.282826145126332
Energy: 0.28422647447427757
Energy: 0.29687662554652083
Energy: 0.2830921787353084
Energy: 0.28288106276039765
Energy: 0.42028380677278937
Energy: 0.29586847902172386
Energy: 0.29424498010921296
Energy: 0.2983771129732074
Energy: 0.29738542059710316
Energy: 0.29319018747701625
Energy: 0.4258151299788557
Energy: 0.297832878022648
Energy: 0.2950369206930698
Energy: 0.30291806829441464
Energy: 0.29889165430488585
Energy: 0.29509900808523964
Energy: 0.4561691829114857
Energy: 0.29518693860463135
Energy: 0.29412979378340176
Energy: 0.30040068550252624
Energy: 0.296758338595366
Energy: 0.29444351504987665
Energy: 0.3911213690680786
Energy: 0.29616459944292506
Energy: 0.28341869776650014
Energy: 0.28371748441489947
Energy: 0.2972353011500799
Energy: 0.2832384726594012
Energy: 0.38632532957130883
Energy: 0.2956696230876584
Energy: 0.2948029010022402
Energy: 0.2841450667611385
Energy: 0.2970458119533696
Energy: 0.28377898819577746
Energy: 0.4580176599921955
Energy: 0.29542288241182524
Energy: 0.2936002077443548
Energy: 0.2963943681757927
Energy: 0.29763917512933574
Energy: 0.29159232573969474
Energy: 0.4618355428586912
Energy: 0.2990526104686272
Energy: 0.2995194372625625
Energy: 0.2988072069989673
Energy: 0.30266104123790005
Energy: 0.29835920627512746
Energy: 0.4568430849365774
Energy: 0.29588456513747097
Energy: 0.29444207836800596
Energy: 0.29710705469355736
Energy: 0.29700967489462604
Energy: 0.2942071644693496
Energy: 0.4616261743437059
Energy: 0.28203714791217094
Energy: 0.28277963704890713
Energy: 0.2998622084162936
Energy: 0.2821405967758223
Energy: 0.2823666325792917
Energy: 0.4226778432915554
Energy: 0.29512780347683293
Energy: 0.2944091519007099
Energy: 0.29820149001978014
Energy: 0.28490780254984427
Energy: 0.29441391111553783
Energy: 0.42566469473688506
Energy: 0.2950238240103991
Energy: 0.2926233917164411
Energy: 0.3002681860070089
Energy: 0.2965447111548412
Energy: 0.2924269934753708
Energy: 0.46089353387199106
Energy: 0.29793622709203693
Energy: 0.29420951875706175
Energy: 0.3005428474321993
Energy: 0.2995049003823932
Energy: 0.29401603593851955
Energy: 0.38634767017877475
Energy: 0.29695645905905965
Energy: 0.2957117997033903
Energy: 0.2852666465560871
Energy: 0.29814275430896614
Energy: 0.294882433401911

minimum gb energy = 0.2817559442641855 eV
minimum distance =  2.45521013802586 Angstroms
sigma value = 11


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

Energy: 1.1768355638474566
Energy: 0.3906948611934705
Energy: 0.8975606087151402
Energy: 0.626831380111777
Energy: -0.9009856320021087
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Energy: 0.28071233060982587
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Energy: -0.06220899788285588
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Energy: 0.23351372982982493
Energy: -0.4357553869678572

minimum gb energy = -0.9009856320021087 eV
minimum distance =  2.40377618868146 Angstroms
sigma value = 41


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

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Energy: -0.2537955547164707
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Energy: -0.032081014070032006

minimum gb energy = -1.2259280096931595 eV
minimum distance =  2.4021823439406 Angstroms
sigma value = 33


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

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Energy: 1.0137886084103156
Energy: 0.007496515199580049
Energy: 0.7239411287448528
Energy: 1.013462101454398

minimum gb energy = -1.5398634950702317 eV
minimum distance =  2.3836099543948 Angstroms
sigma value = 67


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

Energy: 1.1009369635646713
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Energy: -0.09485345871835826
Energy: 0.4495735155107631
Energy: 0.4478388484968256

minimum gb energy = -0.18748530270795474 eV
minimum distance =  2.41560739509332 Angstroms
sigma value = 3


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

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minimum gb energy = -2.581482962048761 eV
minimum distance =  2.34831982966313 Angstroms
sigma value = 81


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

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Energy: -1.1385356964302913
Energy: 0.2419811789983676
Energy: 0.17501522523139654
Energy: -0.4960830527334979
Energy: -1.2094565818423653
Energy: 0.5257978334044952
Energy: -1.3337186753428303
Energy: -1.3498484128580155
Energy: 0.6424928901474474
Energy: -0.16515729172874885
Energy: 0.16456975418380054
Energy: 0.21043885653923197
Energy: -0.14246824653077342
Energy: 0.2224297181286024

minimum gb energy = -1.4454216870208698 eV
minimum distance =  2.26072009251617 Angstroms
sigma value = 43


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

Energy: 0.8121550608032381
Energy: 0.29588930442757505
Energy: 0.5587831286608563
Energy: 0.5492953034529611
Energy: 0.6370917613856487
Energy: 0.1429330148393894
Energy: -0.2399413406098747
Energy: 0.3701746787650657
Energy: 0.6131795646904548
Energy: -0.4017070378275668
Energy: 0.3708655476465364
Energy: 0.31927179852307475
Energy: 0.1211690924351014
Energy: -0.587445127862568
Energy: -0.5776016500480877
Energy: -0.613554219789724
Energy: -0.6227404611829405
Energy: -0.5660230032459115
Energy: 0.13166301186443533
Energy: -0.49769327299934546
Energy: -0.5444097756287736
Energy: -0.14502246940193145
Energy: -0.5726722271572285
Energy: -0.3805840599974705
Energy: -1.1913159896784666
Energy: -0.32305844705895964
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Energy: -0.3236865553155965
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Energy: -0.23535476415528198
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Energy: -0.3258676630780764
Energy: -0.22813496410376954
Energy: -0.28427310428984975
Energy: -0.3255961755385255
Energy: -0.32486978704096403
Energy: -0.3227892864433857
Energy: -0.3237151207794566
Energy: -0.9763593075431474
Energy: 0.1445291789042427
Energy: 0.14412531827173355
Energy: -0.6322732750491248
Energy: 0.15776192030982847
Energy: 0.19278546923279397
Energy: 0.5507777612457956
Energy: 0.17505787955740595
Energy: 0.18917837186485992
Energy: 0.4033209362147555
Energy: 0.1782789024538506
Energy: -0.5376549457518504
Energy: 0.47496450666393975
Energy: 0.04097780893396666
Energy: -0.4515862001008684
Energy: 0.32297665225392513
Energy: 0.5247986108177363
Energy: -0.345266391821878
Energy: 0.09381579552816902
Energy: -0.3154933793786309
Energy: -0.08985477319016072
Energy: -0.246415608464297
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Energy: -0.30656297933328686
Energy: 0.46527404756066704
Energy: 0.21426356644057437
Energy: 0.20706741183525693
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Energy: -0.588954504546069
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Energy: -0.38031231064951804
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Energy: 0.04349795354898381
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Energy: -0.6222280858197977
Energy: 0.09960735020504721
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Energy: -0.43649561062048986
Energy: -0.8563710586937996
Energy: -0.8761232695062475
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Energy: 0.37792463299267276
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Energy: 0.33587995405704546
Energy: -0.6329300912795082
Energy: 0.352618326004474
Energy: 0.40094462034436085
Energy: -0.9459599615336426
Energy: -0.925861674494526
Energy: -0.8546620055130041
Energy: 0.048631831236720297
Energy: -0.9301242383350146
Energy: -1.0028567028956372
Energy: -0.8313274773869956
Energy: 0.05921427554602101
Energy: -0.11883161149274162
Energy: 0.0948719896649744
Energy: 0.017204448067560805
Energy: 0.5197121357561646
Energy: 0.004605265491509351
Energy: 0.06066084491077156
Energy: -0.15319422439729644
Energy: 0.004262064316502351
Energy: 0.061923974336893804
Energy: -1.1957838812496262
Energy: -0.17511218851707852
Energy: -0.18596200014798614
Energy: -0.18330696246728678
Energy: -0.17363227276516538
Energy: -0.18340493366739155
Energy: -1.1822352477048639
Energy: -0.3741767252637157
Energy: -0.15567911539894908
Energy: -0.9084832657994522
Energy: -0.19410885895726218
Energy: -0.22062110983574656
Energy: -1.2116146428834285
Energy: -0.1743283655440527
Energy: -0.4342463634525589
Energy: -0.22044064059321203
Energy: -0.17866406095261522
Energy: -0.4202478362068025
Energy: 0.20684588079791877
Energy: 0.2414545287572943
Energy: -0.46918156663029215
Energy: 0.0558592339375568
Energy: -0.5479510042259649
Energy: -0.5644206812505662
Energy: 0.14583991891609657
Energy: -0.1726374507969945
Energy: 0.11529576854141306
Energy: -0.2604762159275873
Energy: -0.17947480956273823
Energy: 0.2382909698237482
Energy: 0.6259977325696054
Energy: -0.733367057508461
Energy: 0.3644639537876381
Energy: 0.4687602218224582
Energy: -0.836840246429676
Energy: 0.3109457968744424

minimum gb energy = -1.2116146428834285 eV
minimum distance =  2.36099259351049 Angstroms
sigma value = 57


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

Energy: 0.7772305433007242
Energy: -0.09626066020801524
Energy: -0.19577134041442115
Energy: 0.3299110172004928
Energy: 0.3513608335135639
Energy: -0.19444499877587929
Energy: 0.6330997193289196
Energy: 0.2456145497004815
Energy: 0.24577795324029875
Energy: 0.07499084276638845
Energy: 0.25644109209771476
Energy: 0.07193135685948085
Energy: -0.14425540978267123
Energy: -0.2668616047454262
Energy: -0.2670229488642425
Energy: -0.39947022044488106
Energy: -0.272725409176761
Energy: -0.2684238287830295
Energy: 0.5757731116652087
Energy: -0.27282325020270193
Energy: -0.272156492750175
Energy: 0.07537110220453305
Energy: -0.2723591694602897
Energy: 0.25529046822845824
Energy: -1.5986690435385358
Energy: -0.44891720772221055
Energy: -0.4482978303491696
Energy: -0.448789310967314
Energy: -0.44845292754631116
Energy: -0.4481080661832131
Energy: -0.30303393287975244
Energy: -0.4463339736417655
Energy: -0.44665620690966756
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Energy: -0.4495110560122329
Energy: -0.4463331521902711
Energy: 0.5949342128176484
Energy: 0.24458270394109063
Energy: 0.24524505054385962
Energy: 0.24495527477756504
Energy: 0.07654764695174007
Energy: 0.24520421587071084
Energy: -0.1983550803896696
Energy: -0.39998851810640246
Energy: -0.39947552549700216
Energy: -1.36331860589441
Energy: -0.4001977035755148
Energy: -0.19273280989642425
Energy: 0.5944437199273978
Energy: -0.19189093823558848
Energy: -0.19229885307530806
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Energy: -0.27364428987402223
Energy: 0.07150434307201056
Energy: 0.57637312140168
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Energy: 0.24535390219717904
Energy: 0.24500290295526778
Energy: -0.09670987536250361
Energy: -0.4479217169442585
Energy: -0.44808281167302044
Energy: -0.4491187363871128
Energy: -0.4461035763676523
Energy: -0.4478727302858252
Energy: -0.07254272700731662
Energy: -0.4461509730662511
Energy: -0.44695500885032324
Energy: -0.4466724309477302
Energy: -0.4475135483920524
Energy: -0.4476368482816123
Energy: 0.5913470204276424
Energy: -0.4003333841628975
Energy: -0.3996732436964802
Energy: 0.268009158590518
Energy: -0.19265534469010462
Energy: -0.3989128547703131
Energy: 0.39226046504371076
Energy: -0.39986200399585486
Energy: -0.3995146787811594
Energy: -0.40034041055462843
Energy: -0.3998384721043717
Energy: -0.4000117979973923
Energy: 0.5879119502266087
Energy: -0.18839723061955754
Energy: -0.19139483327254003
Energy: 0.07480622137074795
Energy: -0.19221748023278976
Energy: 0.24640298195218233
Energy: -0.06302171974210848
Energy: 0.44764674116562436
Energy: 0.44888513220279275
Energy: -0.040553053977376165
Energy: -1.0284561895090976
Energy: 0.4496324958437788
Energy: 0.6301657307315768
Energy: -0.19143395793730283
Energy: -0.19106739988603919
Energy: -0.4003002857467181
Energy: -0.18925881447607365
Energy: -0.40057541980463546
Energy: 0.6082814010013117
Energy: -0.19112815266526192
Energy: 0.05247610754114856
Energy: 0.5988774718360788
Energy: -0.19081874182950548
Energy: 0.05231233102328266

minimum gb energy = -1.5986690435385358 eV
minimum distance =  2.37974894824787 Angstroms
sigma value = 17


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

Energy: 0.8073471603124902
Energy: 0.29325320347116585
Energy: 0.48548677678417895
Energy: 0.36947394175880127
Energy: 0.2933452921713304
Energy: 0.37174761821753294
Energy: 0.6733600100095726
Energy: 0.29802265265728684
Energy: 0.33269638771876514
Energy: 0.3191247671382921
Energy: 0.3006382179985948
Energy: 0.33337471990574774
Energy: 0.44521759880761974
Energy: 0.12278036537459108
Energy: 0.12349898837505544
Energy: 0.27411276188409617
Energy: 0.12334946789920644
Energy: 0.12289410844635923
Energy: 0.5965584297054635
Energy: 0.14934143149674153
Energy: 0.1485112496488998
Energy: 0.2992114880770349
Energy: 0.2706932404875845
Energy: 0.29672475699123213
Energy: 0.6191830109800585
Energy: 0.09085905414584969
Energy: 0.07688732963828712
Energy: 0.12854411064851573
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Energy: 0.07666075800987818
Energy: 0.415902157061468
Energy: 0.06154385241973786
Energy: 0.0563034566829093
Energy: 0.23508778639957334
Energy: 0.07740345177624137
Energy: 0.2025303263821626
Energy: 0.33829815462564233
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Energy: -0.22266338241901712
Energy: -0.22152639074462943
Energy: -0.21617023484460962
Energy: -0.22043768898990948
Energy: 0.36595275859824156
Energy: -0.22255538464700203
Energy: -0.22020745181100115
Energy: -0.2214060864277774
Energy: -0.22092334132864364
Energy: -0.21838968855911337
Energy: 0.3698599873481236
Energy: -0.125593566082989
Energy: -0.21898500504383825
Energy: -0.21996906805471417
Energy: -0.22109180733729253
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Energy: 0.05687535113509364
Energy: 0.06219014917799205
Energy: 0.07614716125373841
Energy: 0.05694426474984371
Energy: 0.060744401804837075
Energy: 0.44948874235825065
Energy: 0.07669550065802547
Energy: 0.07732194753631627
Energy: 0.09018479554944235
Energy: 0.08988613542415459
Energy: 0.07681824468361852
Energy: 0.40344140513412596
Energy: 0.30101267969354484
Energy: 0.29732660760425084
Energy: -0.5308199799503481
Energy: 0.14806911374780932
Energy: 0.2965184169099354
Energy: 0.4601856013957289
Energy: 0.2715834609264684
Energy: 0.25320211958564215
Energy: -0.528980505077963
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Energy: 0.27283062152039433
Energy: 0.66681174189591
Energy: 0.2534975257195063
Energy: 0.36676321512119714
Energy: 0.31481634123970276
Energy: 0.27359604128811765
Energy: 0.33386949595069265
Energy: 0.6806357146990847
Energy: 0.36602086570972814
Energy: 0.46818059302096665
Energy: 0.46549136776919314
Energy: 0.3853404099405874
Energy: 0.467601503028545
Energy: 0.6715673390350096
Energy: 0.27165025245219104
Energy: 0.3335981821524537
Energy: 0.29964662135174913
Energy: 0.27375299757285304
Energy: 0.3005207120339095
Energy: 0.5666079379717592
Energy: 0.2719515485693116
Energy: 0.4275490162489406
Energy: 0.3962956420574328
Energy: 0.2714851854419627
Energy: 0.44096004600180455

minimum gb energy = -0.5308199799503481 eV
minimum distance =  2.39327264434674 Angstroms
sigma value = 17


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

Energy: 0.5776105110008815
Energy: 0.24446487271936196
Energy: 0.404600903971387
Energy: 0.307925691212104
Energy: 0.2858200485158134
Energy: 0.40444556255094005
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Energy: 0.09790265947982596
Energy: 0.30884352301443424
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Energy: 0.09822736190629258
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Energy: -0.153749961060099
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Energy: 0.1381611370667485
Energy: 0.29816221930148845
Energy: 0.30551774629190787
Energy: 0.6833135002670209
Energy: 0.1999721380431948
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Energy: 0.09762553759681651
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Energy: 0.11155968841997982
Energy: 0.4808398986327165
Energy: -0.026410161538380876
Energy: -0.02684783260251438
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Energy: 0.09048424284753717
Energy: 0.306554399283877
Energy: 0.3990842212635477
Energy: -0.7311176373845238
Energy: -0.5644747395565954
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Energy: -0.18606900014043704
Energy: -0.18404186879674111
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Energy: -0.18057816506854749
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Energy: 0.160870707704253
Energy: 0.20134658584650408
Energy: 0.16397090383100882
Energy: -0.42779161332360416
Energy: 0.4793331838302888
Energy: 0.15038961904443823
Energy: -0.09433862679239255
Energy: -0.14795241726707925
Energy: -0.15176180833099553
Energy: -0.15194254127153844
Energy: 0.45731029288378505
Energy: -0.15048827230818562
Energy: -0.15211771132270505
Energy: -0.037436358170105946
Energy: -0.14738484868825838
Energy: 0.0022877233815099328
Energy: 0.6115897035080871
Energy: 0.15332267802237576
Energy: 0.0572190180687887
Energy: 0.09105505262106249
Energy: 0.15394806276191184
Energy: 0.05683263366794319
Energy: 0.6489833354802058
Energy: 0.05895013749600524
Energy: 0.05731895156450104
Energy: 0.091368984828707
Energy: 0.06983620104137242
Energy: 0.09114359153405423
Energy: 0.4639840555392616
Energy: 0.10596541094739922
Energy: 0.08414890119290976
Energy: 0.09094651538845137
Energy: 0.08955309295083073
Energy: 0.10581594239109385
Energy: 0.6511602334829723
Energy: 0.27968790695326273
Energy: 0.32097981650127494
Energy: 0.148263362384413
Energy: 0.2579542531525221
Energy: 0.31937574396153423
Energy: 0.5937296286396658
Energy: 0.25839223690513713
Energy: 0.25824455549526065
Energy: 0.08567639834504709
Energy: 0.2583634102055389
Energy: 0.28461861610697603
Energy: 0.649557823841948
Energy: 0.17363622950575477
Energy: 0.31905007097610955
Energy: 0.0724857947899419
Energy: 0.2054741403018595
Energy: 0.308489094401634
Energy: 0.6524025376644199
Energy: 0.32854446102167845
Energy: 0.2908545400094614
Energy: 0.13718257643552184
Energy: 0.3211157903425942
Energy: 0.3062998984051096
Energy: 0.6929562548504715
Energy: 0.25823443865447104
Energy: 0.25850475908506904
Energy: 0.3003542294388793
Energy: 0.25797122386276505
Energy: 0.2868164824688366

minimum gb energy = -0.8736276472760097 eV
minimum distance =  2.39996889608162 Angstroms
sigma value = 57


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

Energy: 0.5350595769588332
Energy: 0.30943958036341296
Energy: -0.06171483893778476
Energy: 0.26662485783580886
Energy: 0.3242431542047864
Energy: -0.09105321481336977
Energy: 0.6493721727828483
Energy: 0.2524634907571472
Energy: 0.26446272789000985
Energy: 0.23363361561033236
Energy: 0.26084633383569317
Energy: 0.2441791834822171
Energy: 0.7078560627938582
Energy: 0.12650250560287674
Energy: 0.09082393680089113
Energy: 0.35038865497760996
Energy: -0.17076256487729097
Energy: 0.06592562414410778
Energy: 0.6280783261892763
Energy: 0.1510526025272484
Energy: 0.04883385215388246
Energy: 0.24696048090135372
Energy: 0.2329331904215992
Energy: 0.032151555891217085
Energy: 0.6056437610801677
Energy: 0.017887275463419287
Energy: 0.017817145607559925
Energy: -0.013928933868270356
Energy: 0.017387042269345426
Energy: 0.018638763754478413
Energy: 0.5212216277927776
Energy: 0.018460780594764095
Energy: -0.1655510806142997
Energy: -0.019298691665191856
Energy: 0.02752481257353254
Energy: 0.018707680069281914
Energy: 0.5430533663243517
Energy: 0.2311148536093664
Energy: 0.1335678633911859
Energy: 0.1685441438838541
Energy: 0.027507133310032638
Energy: 0.17878444421943357
Energy: 0.5425280089562992
Energy: -0.16504094375259534
Energy: 0.21402840290083902
Energy: 0.05490499407287277
Energy: -0.16494315362582823
Energy: 0.2633245024830089
Energy: 0.5432616947382854
Energy: 0.21483140373394752
Energy: -0.11919254223439366
Energy: -0.38161328246374043
Energy: 0.2096352469432164
Energy: -0.35274170184017845
Energy: 0.5986112771289279
Energy: -0.053661328008343834
Energy: -0.06464224502195338
Energy: 0.17617710461486435
Energy: -0.15495212579082893
Energy: -0.18098000229890276
Energy: 0.5244721011349407
Energy: -0.18070255758959997
Energy: -0.18040742897897008
Energy: -0.11385929000488
Energy: -0.1782920219494384
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Energy: 0.5322396744822369
Energy: -0.17874039502903588
Energy: -0.17647314260540792
Energy: -0.1695805547719679
Energy: 0.3400339166135767
Energy: -0.16872256591148935
Energy: 0.42952143267440274
Energy: 0.39451209494145356
Energy: -0.17909657296501977
Energy: -0.1775274436470279
Energy: -0.15652195965332283
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Energy: 0.5527782662682237
Energy: -0.16559247261954999
Energy: -0.16600208807321587
Energy: 0.4292839282234213
Energy: 0.19063659801651311
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Energy: -0.18003089294512012
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Energy: -0.08414292300960828
Energy: -0.18086814405599128
Energy: 0.5469001808089108
Energy: 0.1489659717248596
Energy: -0.07991181210652609
Energy: -0.05653900427975243
Energy: 0.14384766492093304
Energy: -0.05421237777130262
Energy: 0.42017488347652504
Energy: 0.11526681745770934
Energy: -0.1757533189836941
Energy: -0.11520456869474796
Energy: 0.13386361075636471
Energy: -0.17363095492253994
Energy: 0.5362169234390688
Energy: 0.05003699479017241
Energy: -0.1756630530263713
Energy: 0.017526349917860628
Energy: 0.12624850242892188
Energy: -0.17395520695111927
Energy: 0.6235765503156276
Energy: 0.16991564553710065
Energy: 0.23057869237169942
Energy: 0.052352645010368015
Energy: -0.026047944851361467
Energy: 0.1768808854205115
Energy: 0.6087809617661651
Energy: -0.07826170586807141
Energy: 0.15180468161159683
Energy: 0.017806022113523192
Energy: 0.15392734908505193
Energy: 0.017726773284470723
Energy: 0.5862239268182188
Energy: 0.01840423697993682
Energy: 0.018467286591677713
Energy: 0.01781692991235323
Energy: 0.2198140036793401
Energy: 0.01763866059586052
Energy: 0.5332430439441224
Energy: 0.23125073153719194
Energy: 0.0788625291452367
Energy: 0.15220965866981068
Energy: 0.21952424085395653
Energy: 0.07903666846461367
Energy: 0.6227727246985337
Energy: 0.2206935225841595
Energy: 0.22711417458032027
Energy: -0.03219374466864388
Energy: 0.23785639482683416
Energy: 0.22639882619311885
Energy: 0.6080578531433477
Energy: 0.060296370614140046
Energy: 0.2459934476716258
Energy: 0.017173979765768847
Energy: -0.028528750190673656
Energy: 0.11024348890813593
Energy: 0.7096994003577246
Energy: 0.08475964402151605
Energy: 0.29327074352503374
Energy: 0.30472578650161575
Energy: -0.059489924822696265
Energy: 0.13487504059510033
Energy: 0.6466719072689703
Energy: 0.2332506554517969
Energy: 0.22167629596299998
Energy: 0.25760309465149217
Energy: 0.23210851352630713
Energy: 0.2447076864492892
Energy: 0.5369077408844812
Energy: 0.23688208010380826
Energy: 9.961766199712395e-05
Energy: 0.12851537054231577
Energy: 0.22643857040317994
Energy: -0.16393442827100457

minimum gb energy = -0.38161328246374043 eV
minimum distance =  2.33485493365619 Angstroms
sigma value = 43


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

Energy: 0.470643634321687
Energy: 0.2788376148803503
Energy: 0.05154952521890427
Energy: 0.3189598140369481
Energy: 0.18962745623510963
Energy: 0.16402218530290377
Energy: 0.6733222607459608
Energy: 0.10014172283662363
Energy: 0.04907568480886546
Energy: 0.10163458473668133
Energy: 0.10016776080718628
Energy: 0.08413705720587637
Energy: 0.5838452339680663
Energy: 0.22370217415013352
Energy: 0.1849006744027076
Energy: 0.07471637208391974
Energy: 0.25154653666182925
Energy: 0.13770878950120388
Energy: 0.595052959292939
Energy: 0.03873697210716704
Energy: 0.1324485098861011
Energy: 0.05905909342621607
Energy: -0.5414153216880181
Energy: 0.053191724186803305
Energy: 0.45853765176867145
Energy: 0.09154875686896159
Energy: 0.1367795980167992
Energy: 0.17817976946893183
Energy: 0.0493928060089116
Energy: 0.09842946343739338
Energy: 0.447825235187339
Energy: 0.083638632370703
Energy: 0.03238174906697882
Energy: 0.21777951786373342
Energy: 0.07527180387402214
Energy: 0.18694075033878024
Energy: 0.5658544109874827
Energy: 0.2181069740904113
Energy: -0.321250637258952
Energy: 0.0580957330203463
Energy: 0.2171964468901627
Energy: 0.05888049201877101
Energy: 0.6391323411030734
Energy: 0.19565239735172454
Energy: -0.6107316463364868
Energy: 0.07471378554610035
Energy: 0.1625772337937232
Energy: -0.5995721893177532
Energy: 0.4946466899954829
Energy: -0.6609595397302295
Energy: 0.07874126713012472
Energy: -0.10567860470823667
Energy: 0.004660877752876113
Energy: 0.025007451367738603
Energy: 0.47448254708257276
Energy: 0.165166919759897
Energy: 0.1722429911463283
Energy: 0.0524902937544529
Energy: 0.18133144956251696
Energy: 0.17328662716451307
Energy: 0.44349942898484435
Energy: 0.08604046230045867
Energy: 0.036401156172888596
Energy: 0.038036077697579884
Energy: 0.03351407667175255
Energy: 0.1908924872535949
Energy: 0.48057076043634284
Energy: 0.14689235400474837
Energy: 0.17269878490654247
Energy: 0.17075484083940876
Energy: 0.16045038852933854
Energy: 0.14489995431907843
Energy: 0.4811345703433416
Energy: 0.2749517847332908
Energy: 0.12713232308014621
Energy: 0.09003223564013993
Energy: 0.20778274435263863
Energy: 0.018499086401099436
Energy: 0.4498184392002611
Energy: 0.11443180881273397
Energy: 0.3059312189709083
Energy: 0.32838418131247854
Energy: 0.058534070827928296
Energy: 0.3054644182793395
Energy: 0.4470618221935115
Energy: 0.047016451152213305
Energy: 0.047196120117925386
Energy: 0.14446740079023862
Energy: 0.16279182486827634
Energy: 0.05433633410474379
Energy: 0.44565804979705853
Energy: 0.2960063910333067
Energy: 0.2747750862011548
Energy: 0.04680657534638266
Energy: 0.3238235194489026
Energy: 0.047395884674408646
Energy: 0.5113080654186091
Energy: 0.31605420127967576
Energy: 0.2773763618113767
Energy: 0.06245759682201754
Energy: 0.3242281777567022
Energy: 0.06248130388675849
Energy: 0.4429521166350469
Energy: 0.2755136022698349
Energy: 0.059393384340205184
Energy: 0.2910113782233782
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Energy: 0.06210438182204213
Energy: 0.44513695572518835
Energy: 0.3050054511947411
Energy: 0.3135917326226473
Energy: 0.32532368074462087
Energy: 0.1557578798777809
Energy: 0.31320990684121236
Energy: 0.44281400303389434
Energy: 0.27220011692858315
Energy: 0.06407287374390526
Energy: 0.275187584888605
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Energy: 0.05918818780594357
Energy: 0.5156958251630674
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Energy: 0.27147837534365477
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Energy: 0.1481312684262016
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Energy: 0.44686776382744736
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Energy: 0.1866097386341875
Energy: 0.06489290271689464
Energy: 0.17596399605747165
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Energy: 0.45864128967771417
Energy: 0.07683443017688435
Energy: 0.06823872768978229
Energy: 0.15911428082890963
Energy: 0.19092353659238995
Energy: 0.07173223480214252
Energy: 0.462358393631781
Energy: 0.17093975002762357
Energy: -0.4454305854762072
Energy: -0.43665669595948176
Energy: 0.06937921534420781
Energy: -0.42316345826493146
Energy: 0.4498185466181496
Energy: 0.19640645377137353
Energy: 0.08846635804814341
Energy: 0.19008545999281332
Energy: 0.18523275414831433
Energy: 0.07126058708231421
Energy: 0.45175454719159763
Energy: -0.2749842652950313
Energy: 0.18216442626943338
Energy: 0.21426528006966816
Energy: 0.030002529189153998
Energy: 0.1979296279148686
Energy: 0.4460017799671298
Energy: 0.016590525145282833
Energy: 0.06764485190332256
Energy: 0.09702704537740377
Energy: 0.04197809780206377
Energy: 0.18826758720926284
Energy: 0.4525791094949126
Energy: 0.056420006913867574
Energy: 0.06009494565035615
Energy: 0.17370439675986676
Energy: 0.07687154630844838
Energy: 0.05999104178659972
Energy: 0.5406195938993733
Energy: -0.056212364982865186
Energy: 0.0885209481854158
Energy: 0.10148280196863195
Energy: 0.09995873412596101
Energy: 0.09102801483940791
Energy: 0.6588961231363621
Energy: 0.20408967047808269
Energy: -0.5325597815589961
Energy: 0.04898791546726185
Energy: 0.1900147237724835
Energy: -0.576473739895973
Energy: 0.6455858965794216
Energy: 0.19991931437007163
Energy: -0.02069253758482802
Energy: 0.14674873404240255
Energy: 0.19887733689236334
Energy: 0.07090574435895718
Energy: 0.4537387845381565
Energy: 0.11080703960752172
Energy: 0.0796748258523838
Energy: 0.22382231855424156
Energy: 0.1154800838319023
Energy: 0.18684227903146636
Energy: 0.4722836682094231
Energy: 0.12556777168200733
Energy: 0.17829874737978896
Energy: 0.15445823851678608
Energy: 0.12710119543437184
Energy: 0.10501610804142338
Energy: 0.6459965475262938
Energy: 0.014144080879399244
Energy: 0.22342911351731112
Energy: 0.12314578082756243
Energy: 0.2508744593209463
Energy: 0.17897062420448542
Energy: 0.5909468915947325
Energy: 0.23498739023576862
Energy: 0.21597678854701344
Energy: 0.04065096369300451
Energy: 0.21134903298011565
Energy: 0.2152196632293477
Energy: 0.6737608964423374
Energy: 0.15634143683116328
Energy: 0.15175953902604378
Energy: 0.1014034559478617
Energy: 0.1229518621131597
Energy: 0.08925195096343772

minimum gb energy = -0.6609595397302295 eV
minimum distance =  2.37923029833565 Angstroms
sigma value = 81


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

Energy: -0.034606636999669343
Energy: -0.033411198989233955
Energy: -0.03378404188437131
Energy: -0.03260095756177481
Energy: -0.03170723380250109
Energy: -0.033954671428342874
Energy: -0.005399314552678215
Energy: -0.03362015019668699
Energy: -0.033531794176761456
Energy: -0.0055592752343375535
Energy: -0.03089265550019159
Energy: -0.033714753135290675
Energy: -0.007293140131575128
Energy: -0.033775775816899264
Energy: -0.033894920517524636
Energy: -0.0072346114807019645
Energy: -0.03374186714483484
Energy: -0.006704690885532764
Energy: -0.03081538779579914
Energy: -0.033898362117204206
Energy: -0.03378146751271695
Energy: -0.029892128438384562
Energy: -0.03389916655898334
Energy: -0.006345759857993113
Energy: -0.006801170902347355
Energy: -0.007063018113971783
Energy: -0.006894230555720376
Energy: -0.005961933160876789
Energy: -0.00707361880595762
Energy: -0.005405308201877347
Energy: -0.033294898767029395
Energy: -0.03355413069244061
Energy: -0.03392040087538615
Energy: -0.031839049268110854
Energy: -0.033609489536464116
Energy: -0.03383290619746555
Energy: -0.0042263393330816785
Energy: -0.03368922905550654
Energy: -0.03357985610700622
Energy: -0.006657265937749422
Energy: -0.03357361206125694
Energy: -0.03347311692202118
Energy: -0.004756577341044542
Energy: -0.034009996554283065
Energy: -0.033894724738881485
Energy: -0.006986401445109778
Energy: -0.033988166822241574
Energy: -0.00614053200079974
Energy: -0.03268950485893232
Energy: -0.033869318850555837
Energy: -0.00505602052942928
Energy: -0.03216447426609233
Energy: -0.03383671504619018
Energy: -0.005281226196484297
Energy: -0.03386889428805549
Energy: -0.007006718459088678
Energy: -0.006106985524791732
Energy: -0.03344887099739891
Energy: -0.007114379908477414
Energy: -0.006730223457771759

minimum gb energy = -0.034606636999669343 eV
minimum distance =  2.52930430387996 Angstroms
sigma value = 3


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

Energy: 0.4588519820880617
Energy: 0.3732069810631955
Energy: -0.4985982803164946
Energy: 0.2798182458049906
Energy: 0.3708562567979003
Energy: -0.5615998571595737
Energy: 0.4434133709937848
Energy: 0.35140976931341306
Energy: 0.34360224030984093
Energy: 0.32169014123756157
Energy: 0.3526473451436133
Energy: 0.32799360030782926
Energy: 0.38293631576362935
Energy: -1.2066557853294466
Energy: -0.8310449884118055
Energy: 0.3465738144599698
Energy: -0.8324047208167901
Energy: 0.34214120491805133
Energy: 0.4739986765007384
Energy: -1.0281169285206342
Energy: -0.9307056752735547
Energy: 0.41717890342082914
Energy: -0.6031316576898961
Energy: 0.33722694125740993
Energy: 0.385453305178666
Energy: 0.34445608672163514
Energy: 0.3432724099043342
Energy: 0.3786163238521283
Energy: 0.3488291055964261
Energy: 0.3288257583419957
Energy: 0.3957834627804344
Energy: 0.35100020530437565
Energy: -0.7210952870002165
Energy: 0.36936412020678294
Energy: 0.34441917736174554
Energy: -0.7727140156072705
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Energy: 0.43043663359308837
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Energy: 0.34337882385397517
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Energy: 0.35100276331486446
Energy: 0.3446253555553181
Energy: 0.3527602597890935
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Energy: 0.39714548390493376
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Energy: 0.3475074726858089
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Energy: 0.3572203122870264
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Energy: -0.8767117608742271
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Energy: -0.7963912268299452
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Energy: 0.4228100191243564
Energy: 0.3730577514326744
Energy: 0.41647335665210816
Energy: 0.3402168799916037

minimum gb energy = -1.2066557853294466 eV
minimum distance =  2.37081251492789 Angstroms
sigma value = 67


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

Energy: 0.43149245545919146
Energy: -0.9141337165618313
Energy: -1.8681673523742688
Energy: -0.894393941188216
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Energy: -1.8976865518618784
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Energy: 0.42443057302211035
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Energy: -1.2668005135857099
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Energy: -0.8215252794978563
Energy: 0.4367086761288095
Energy: 0.36867369988194165
Energy: 0.40787289299797624
Energy: -0.7915218895085813
Energy: -1.639877827194916
Energy: -1.5395101953199546
Energy: 0.5106722751953499
Energy: -1.786347186042309
Energy: 0.3718147765236079
Energy: -0.7319209946348767
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Energy: 0.6339298399239583
Energy: 0.48347724575174333
Energy: -0.8084621538543841
Energy: -1.307697258217665
Energy: 0.5401272706145018
Energy: -0.8518722650152332

minimum gb energy = -2.766191433981056 eV
minimum distance =  2.36774936720023 Angstroms
sigma value = 33


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

Energy: 0.3185358774179878
Energy: -0.9248733500849556
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Energy: 0.4703334741708221
Energy: -0.44662678976897807
Energy: -0.21871446965987604
Energy: -1.236643989681209

minimum gb energy = -2.610566666063628 eV
minimum distance =  2.3625809492536 Angstroms
sigma value = 41


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

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Energy: 0.6873104940181206
Energy: 0.6831737934264918
Energy: 0.685647072552103
Energy: 0.6844064685878446
Energy: 0.686555317498694
Energy: 0.6614676037495776
Energy: 0.6401962035890297
Energy: 0.6877198947787214
Energy: 0.6611189887678839

minimum gb energy = -0.9309708176797852 eV
minimum distance =  2.37980573026043 Angstroms
sigma value = 11


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

Energy: 0.8801206468859368
Energy: -0.3332996105176699
Energy: 0.8315488669458969
Energy: 0.44262204487735357
Energy: 0.1335503300231688
Energy: 0.9084053989066477
Energy: 1.1730709375425268
Energy: -0.08357472214443966
Energy: -1.9294902791940576
Energy: 0.7409733986601308
Energy: -0.48573138127738497
Energy: 0.7628055773095048
Energy: 1.1936612546464647
Energy: 0.8188616087119804
Energy: 0.8178452433136336
Energy: 0.8262302330112736
Energy: 0.8204397334976916
Energy: 0.8209601549735316
Energy: 0.9015641256889597
Energy: 0.8226662175335494
Energy: 0.7962775910545411
Energy: 0.7887428779961411
Energy: 0.8235610549472762
Energy: 0.7954748462162659
Energy: 0.9166467630193192
Energy: 0.8290846863026318
Energy: 0.8285031574838781
Energy: 0.46999312238509067
Energy: 0.8119484140980971
Energy: 0.8284251672514037
Energy: 0.9021601050935042
Energy: 0.831302664074108
Energy: 0.8314580534982162
Energy: 0.8282061620212134
Energy: 0.8311852190053296
Energy: 0.8324122338988591
Energy: 0.9313674744256462
Energy: 0.8295256301029469
Energy: 0.8326607530560232
Energy: 0.8282618750347097
Energy: 0.8263486193343218
Energy: 0.8232208227497947
Energy: 1.0211306043419464
Energy: 0.8286462494498524
Energy: 0.8284474695474734
Energy: 0.7755667652421263
Energy: 0.8200606870795321
Energy: 0.8287658067964762
Energy: 0.8941148367527705
Energy: 0.8232986281485406
Energy: 0.8217048421689372
Energy: 0.8249309739120368
Energy: 0.8264016231120268
Energy: 0.8231657729255509
Energy: 0.8923070593264547
Energy: 0.7938738795366884
Energy: 0.7945235694720432
Energy: 0.8246626984678791
Energy: -0.7635152426185944
Energy: 0.823248927635952
Energy: 0.9764072623823182
Energy: -0.4296868727876028
Energy: 0.1989659884915273
Energy: -0.5242925161686186
Energy: 0.5021428511738562
Energy: 0.8314783304491645
Energy: 0.9134375098192277
Energy: -0.10272596368559213
Energy: 0.7984134446907916
Energy: -1.306772206238577
Energy: 0.8003967464938028
Energy: 0.8099548314684027
Energy: 0.9152536820536297
Energy: 0.4533246112652844
Energy: 0.7938244764021162
Energy: 0.8173391239036021
Energy: 0.46328336380338797
Energy: -0.39674689265247476
Energy: 0.8892354019930309
Energy: 0.8275385261267828
Energy: 0.8279983305564322
Energy: 0.8217199813035228
Energy: 0.8188207007710994
Energy: 0.8278272033331294
Energy: 0.9167035961202156
Energy: 0.8304723552017429
Energy: 0.828178179434197
Energy: -0.7617182605422839
Energy: 0.8286158901960942
Energy: 0.8275783541978249
Energy: 0.973321319060314
Energy: 0.8312232602876203
Energy: 0.8299580544282873
Energy: 0.7520926255895838
Energy: 0.8288255803748255
Energy: 0.8299636839067923
Energy: 0.9578754927680171
Energy: 0.8306950721475734
Energy: 0.8294007626771175
Energy: 0.8426809134687735
Energy: 0.8304863994866204
Energy: 0.8293919242275007
Energy: 0.8782386797093095
Energy: 0.7949911640417988
Energy: 0.835376715969237
Energy: 0.8457346985485068
Energy: 0.7962974258023787
Energy: 0.839286997962966
Energy: 0.924212590405699
Energy: 0.8302011492479425
Energy: 0.8294071857562848
Energy: 0.7933866730809779
Energy: 0.829416047193824
Energy: 0.8289188645003052
Energy: 0.9086763186851512
Energy: 0.8184716708723713
Energy: 0.817829403549516
Energy: 0.8192280227993397
Energy: 0.8207388723146869
Energy: 0.8027897493189355
Energy: 1.0731303710990114
Energy: 0.8234603233410281
Energy: 0.752398202795268
Energy: -0.8361660140377899
Energy: -0.9839853806879942
Energy: 0.7971048333217214
Energy: 0.9411011594408278
Energy: 0.7967993226516685
Energy: 0.7953212214330394
Energy: 0.7716304207941129
Energy: -0.01314515244197101
Energy: 0.7571215883168247
Energy: 0.8784626447775153
Energy: 0.8375862089884447
Energy: 0.8113065180156591
Energy: 0.811124223521671
Energy: 0.8389462617251877
Energy: 0.8335868601169696
Energy: 1.098517312479562
Energy: 0.5112917143809393
Energy: 0.8296921615439048
Energy: 0.8057725037281652
Energy: 0.861829370410309
Energy: 0.830201731647223
Energy: 0.9428297967377963
Energy: 0.8594044122534158
Energy: 0.8440028777385326
Energy: 0.7244290994926137
Energy: 0.8335125546789623
Energy: 0.8272213305630357
Energy: 0.9113026242800291
Energy: 0.20901418108102002
Energy: 0.8282438413748366
Energy: 0.8301254783767197
Energy: -0.1847282022328577
Energy: 0.8284845532992817
Energy: 0.9149759682789936
Energy: 0.8304099054543275
Energy: 0.8296903442735547
Energy: 0.8278345251009859
Energy: 0.8123225752489542
Energy: 0.8292465947518123
Energy: 0.9102208930572525
Energy: 0.8433420462817096
Energy: 0.8276027039593076
Energy: 0.8279274295820402
Energy: -0.18372655127127235
Energy: 0.8272974298577143
Energy: 0.9237404845391903
Energy: 0.8230697107783037
Energy: 0.8221625800572032
Energy: -0.4950788169540862
Energy: 0.8215832530093141
Energy: 0.8211922604834225
Energy: 1.1911127872495728
Energy: 0.7656588079714187
Energy: 0.8495612867835804
Energy: 0.7348237458950893
Energy: 0.7734976216728972
Energy: 0.8305053795544002
Energy: 0.8581567284450723
Energy: 0.8454830030428055
Energy: 0.8420325580182789
Energy: 0.8055207289052142
Energy: 0.8516753661066103
Energy: 0.841817939155021

minimum gb energy = -1.9294902791940576 eV
minimum distance =  2.34951755086368 Angstroms
sigma value = 57


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

Energy: 1.6380137469661973
Energy: 0.962780182441449
Energy: 0.9547530584519265
Energy: 0.9547649334082395
Energy: 1.018030715617125
Energy: 0.953330002671328
Energy: 1.2011196486922031
Energy: 0.9647702866105524
Energy: 0.9649697551136321
Energy: 0.9631109001149081
Energy: 0.9662063315396482
Energy: 0.9238737667381907
Energy: 1.2135239156254343
Energy: 0.9041232432484101
Energy: 0.9030926768489383
Energy: 1.0165231860237645
Energy: 0.9054474699649175
Energy: 0.9671720495322871
Energy: 1.0516230741255905
Energy: 0.9246252359216776
Energy: 0.9237271518828438
Energy: 0.9646845879287131
Energy: 0.9094392670455894
Energy: 0.923129552767369
Energy: 1.0225621494234047
Energy: 0.9245678719232726
Energy: 0.921756434606555
Energy: 0.963491983565296
Energy: 1.0173423462733808
Energy: 0.920657134034073
Energy: 1.0508804730825854
Energy: 0.9691920613350616
Energy: 0.9245334609084939
Energy: 0.9270370797291589
Energy: 0.9632574522224759
Energy: 0.9234793449227113
Energy: 1.0683206788844033
Energy: 0.9111468289959042
Energy: 0.9090609522431204
Energy: 0.9697337824969676
Energy: 0.9097230689694515
Energy: 0.9225218842111946
Energy: 1.1967183204243466
Energy: 0.9268462026881101
Energy: 0.9226938990617607
Energy: 0.9639817536837411
Energy: 0.9271990586876125
Energy: 0.9231895111206131
Energy: 1.0892404251766181
Energy: 0.9654589020134472
Energy: 0.9101436502605267
Energy: 0.9115540912138937
Energy: 1.0151142967094675
Energy: 0.9092110639612906
Energy: 1.089804523304654
Energy: 0.9654630002871151
Energy: 0.9102674994961886
Energy: 0.9113554951708472
Energy: 1.015538893227919
Energy: 0.9093336277199895
Energy: 1.196293876342999
Energy: 0.92428397004885
Energy: 0.9238191302325064
Energy: 0.9640026897030589
Energy: 0.9270959763059898
Energy: 0.9245849647771416
Energy: 1.0519150461118192
Energy: 0.9035072876467185
Energy: 0.9027691323308532
Energy: 1.0155954889702379
Energy: 0.9053249479121862
Energy: 0.9659331963341172
Energy: 1.052358071661848
Energy: 0.963694006122037
Energy: 0.9246187064073456
Energy: 0.9665403783460315
Energy: 0.9648277740650075
Energy: 0.9210732721106221
Energy: 1.0514843994868104
Energy: 0.9240191200683975
Energy: 0.9223681799849894
Energy: 0.9269882807499065
Energy: 0.9933026718359095
Energy: 0.9226163388197396
Energy: 1.0183791007162324
Energy: 0.9090524649706492
Energy: 0.9204478701741835
Energy: 0.928096727625869
Energy: 0.9094221624489164
Energy: 0.9200609847916978
Energy: 1.2006285198562332
Energy: 0.9114700937669414
Energy: 0.9103061676056605
Energy: 0.9263392291607531
Energy: 0.9084213382426642
Energy: 0.9231267283505944
Energy: 1.06815711475957
Energy: 0.9665148318686638
Energy: 0.9655624999071144
Energy: 0.9465530639426506
Energy: 0.965991228590835
Energy: 0.9251304181623923

minimum gb energy = 0.9027691323308532 eV
minimum distance =  2.35846146392368 Angstroms
sigma value = 9


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

Energy: 1.1095410172726103
Energy: 1.0052065903891645
Energy: 0.9616864653907188
Energy: 0.4202420310019309
Energy: 0.11933615100259205
Energy: 0.9607042823177748
Energy: 1.237450765838156
Energy: 0.8478233941960922
Energy: 0.9324146218495935
Energy: -1.0453267927626237
Energy: 0.8993282363187282
Energy: 0.9096541642675199
Energy: 1.0670271813585035
Energy: -0.029869081942463845
Energy: 0.8962277112617332
Energy: 0.9538196113221132
Energy: -0.008300929638978952
Energy: 0.862075851950484
Energy: 1.038413294702636
Energy: 0.900067567295183
Energy: 0.24065884818035915
Energy: 0.8388252902449866
Energy: 0.9215701253649368
Energy: 0.8852318432095244
Energy: 0.9965674338000591
Energy: 0.9078416765185767
Energy: 0.9316336867233361
Energy: -0.7086790472960842
Energy: 0.9132577623004332
Energy: 0.8697262784299435
Energy: 0.9966434777387463
Energy: 0.8209167975757645
Energy: 0.9093786287007163
Energy: 0.7723938194232378
Energy: 0.9061335148779872
Energy: 0.9095343203030691
Energy: 1.0497845989564645
Energy: 0.8824380491372393
Energy: 0.9516986575860422
Energy: 0.3200952448088639
Energy: 0.9138683363992558
Energy: 0.9531591923469184
Energy: 1.131912644370842
Energy: 0.86345887628999
Energy: 0.8427685198086229
Energy: 0.9203901923874804
Energy: 0.899125523385777
Energy: 0.8904922926602572
Energy: 1.0981124447256672
Energy: 0.8924759722832681
Energy: 0.903810225174301
Energy: 0.9204310593533297
Energy: 0.9011647556439317
Energy: 0.8718453991319463
Energy: 1.099609075635237
Energy: 0.8435464068332159
Energy: 0.8426605400309808
Energy: 0.9527741112665823
Energy: 0.8687087927669649
Energy: 0.8588190832951601
Energy: 1.1282453048092018
Energy: 0.9148877601747153
Energy: 0.9554512307008888
Energy: 0.6677958647683458
Energy: 0.9268429326582022
Energy: 0.8847107962885673
Energy: 1.0640793802955415
Energy: 0.6827900252643273
Energy: -1.0281574214188833
Energy: 0.8930918593607243
Energy: 0.6853740458051271
Energy: 0.9087191997949772
Energy: 1.017015346888094
Energy: 0.824742912882216
Energy: 0.9169924939961607
Energy: 0.9660985611971209
Energy: 0.7468159195467975
Energy: 0.8830350872663578
Energy: 1.1595603539245574
Energy: 0.531066185418978
Energy: 0.8883922587240844
Energy: 0.964009242948966
Energy: 0.8915228638594277
Energy: 0.9613451452717591
Energy: 1.0611022137502935
Energy: -0.8380615807540366
Energy: 0.7152933914029495
Energy: -1.0105990147488109
Energy: 0.8996939071967776
Energy: 0.9423822139236865
Energy: 1.0113327582712186
Energy: 0.875206768351497
Energy: 0.8613572450497371
Energy: -1.0465983312282947
Energy: 0.8801707121861325
Energy: 0.858652914318744
Energy: 1.000255642303591
Energy: 0.2899301693601581
Energy: 0.2901532300874039
Energy: 0.8589891960441625
Energy: -0.9511810858698635
Energy: 0.8486450149742889
Energy: 1.0094219421641075
Energy: 0.8954227894314336
Energy: 0.8453823726418462
Energy: 0.26926725764163967
Energy: 0.8294509549844923
Energy: 0.9312993069190957
Energy: 1.0483817307912906
Energy: 0.7309050474125942
Energy: 0.726747757078995
Energy: -0.9130189627722287
Energy: -0.8110918031029665
Energy: 0.8572682976862709
Energy: 1.0673235674300987
Energy: -0.19553676222002508
Energy: 0.9053965492653929
Energy: -0.14085122987574406
Energy: -0.2367216822508025
Energy: 0.8995218564241017
Energy: 1.093409057999126
Energy: 0.9333654833121258
Energy: 0.9320358461780778
Energy: 0.9279591275995759
Energy: 0.9045431593990809
Energy: 0.9618369173837324

minimum gb energy = -1.0465983312282947 eV
minimum distance =  2.33197894539023 Angstroms
sigma value = 27


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

Energy: 1.3824704111672792
Energy: 1.6491922531447727
Energy: 0.9612333946024327
Energy: 0.9758469973877387
Energy: 0.9019689734144789
Energy: 0.9701044873508616
Energy: 1.2706222870884132
Energy: 0.9657863592251402
Energy: 0.8927582340347033
Energy: 0.9098971291740993
Energy: 0.9152220148375678
Energy: 0.9168850968395934
Energy: 1.0594964559772537
Energy: 0.9050693193599222
Energy: 0.9286370860351963
Energy: 0.9620920273516647
Energy: 0.9042805535610414
Energy: 0.9510364748245861
Energy: 1.0915555195377735
Energy: 0.9618704839752507
Energy: 0.930162694813595
Energy: 0.07238068630988255
Energy: 0.9620088653859274
Energy: -0.04996947415831569
Energy: 1.0465680887489242
Energy: 0.9715407319353414
Energy: 0.9700299220101347
Energy: 0.992597160608589
Energy: 0.9728629072226277
Energy: 0.9674664136951756
Energy: 1.0616574303775017
Energy: 0.3882113953319473
Energy: 0.43354325858544396
Energy: 0.9758303390556345
Energy: 0.41797579651442723
Energy: 0.92549605538366
Energy: 1.089187262571478
Energy: 1.0027181446472269
Energy: 1.004923576737125
Energy: 0.8605791871415399
Energy: 0.9933226493174498
Energy: 0.9955619856040208
Energy: 1.051669087703918
Energy: 0.9480338257880161
Energy: 0.3099741304472784
Energy: -0.007669662666590555
Energy: 0.9738110010156691
Energy: 0.6394328884494013
Energy: 1.3080235588128641
Energy: 0.8882611097266068
Energy: 0.9636288723315994
Energy: 0.9542017874749186
Energy: 0.8770363463154369
Energy: 0.961285006782174
Energy: 1.308669276180214
Energy: 0.8970510922753984
Energy: 0.9544641361891548
Energy: 0.9568028656118812
Energy: 0.8943528686021306
Energy: 0.9553368017156323
Energy: 1.071456797951655
Energy: 0.9396235392054453
Energy: 0.9869435007098945
Energy: 0.9701324488807158
Energy: 0.9133978471967377
Energy: 0.998037590142311
Energy: 1.1048982269107386
Energy: 0.9258561097146648
Energy: 0.9846471713949547
Energy: 0.6503303313296557
Energy: 0.9256102266101045
Energy: 0.9797528220314992
Energy: 1.0394210038035692
Energy: 0.9267069391620631
Energy: 0.9962435726552042
Energy: 0.9952163715938027
Energy: 1.012357785564747
Energy: 1.003812540442811
Energy: 1.03835089456473
Energy: 0.9426091118545415
Energy: 0.9831623763450561
Energy: 0.973338538332549
Energy: 0.9781822536259474
Energy: 0.9335553071952584
Energy: 1.1313655869905563
Energy: 0.9110577989839792
Energy: 0.9866891154485988
Energy: 0.8155687670609063
Energy: 0.9239087381077798
Energy: 0.9859562405306618
Energy: 1.081425233670064
Energy: 0.9177938263325924
Energy: 0.9239763903334882
Energy: 0.8929641182029002
Energy: 0.9109261019465796
Energy: 0.959225423525099
Energy: 1.047908126741475
Energy: 0.9193424598986903
Energy: 0.9695788764313409
Energy: 0.9315382844479927
Energy: 0.9556495797237393
Energy: 0.9656046578148112
Energy: 1.1044621124258334
Energy: 0.9781508752096809
Energy: 0.9609377170532645
Energy: 0.9534725608984849
Energy: 0.9593621054042899
Energy: 0.9550630536811863
Energy: 1.0461187416623192
Energy: 0.9912317845278714
Energy: 0.99256208687508
Energy: 0.9487843709931567
Energy: 0.993928018173304
Energy: 0.9968903974716382
Energy: 1.0608332523535302
Energy: 0.9914898700033028
Energy: 0.99192759980118
Energy: 0.9627784914255039
Energy: 0.9935261650017737
Energy: 0.9949362584949498
Energy: 1.2842247323811022
Energy: 0.8774834125087588
Energy: 0.9705845503326059
Energy: 0.9674561657591271
Energy: 0.9318679657747319
Energy: 0.9579755599382871
Energy: 1.04479784669463
Energy: 0.8823101924583862
Energy: 1.0033651099753775
Energy: 0.9913002756534887
Energy: 0.9139058102045797
Energy: 0.9932697701964351
Energy: 1.0696570336173161
Energy: 0.9628346089311719
Energy: 0.9789313644370936
Energy: 0.937834843127544
Energy: 0.9541660433521374
Energy: -1.127025551049415
Energy: 1.0970823418709585
Energy: 0.9636628716221699
Energy: 0.9624535347338622
Energy: 0.9515068171347574
Energy: 0.9629268637026859
Energy: 0.4232951424998746
Energy: 1.1004562062808607
Energy: -0.047553661193903876
Energy: -0.10390554729198298
Energy: 0.9866355414587807
Energy: 0.30875665232000576
Energy: 0.9497978377913305

minimum gb energy = -1.127025551049415 eV
minimum distance =  2.32048807168308 Angstroms
sigma value = 19


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

Energy: 1.0489221610392632
Energy: 0.6341833430213961
Energy: 0.8631548647219603
Energy: 0.8870284024152985
Energy: 0.7138488855937768
Energy: 0.8566723911124847
Energy: 1.2369531088811805
Energy: 0.45874568944730265
Energy: 0.8558312148413049
Energy: 0.8385653716618677
Energy: 0.016038456357489878
Energy: 0.8335345484648398
Energy: 1.03056361337881
Energy: 0.8848039015601799
Energy: 0.880330789720376
Energy: 0.7883797669923939
Energy: 0.8497262479597217
Energy: 0.8780210430149841
Energy: 1.0417134053773216
Energy: 0.802834442659171
Energy: 0.851686597107829
Energy: 0.8635390902972978
Energy: 0.8595226869832499
Energy: 0.843313471466826
Energy: 1.039069378675249
Energy: 0.6708392084286141
Energy: 0.7661400497296791
Energy: 0.8997046604749532
Energy: 0.10716011665313886
Energy: 0.8172075070227055
Energy: 1.043450676212757
Energy: 0.6026201760960972
Energy: 0.8806370132056706
Energy: 0.28406155305177627
Energy: 0.8030615492166712
Energy: 0.8603157775668735
Energy: 1.0241444164637195
Energy: 0.8722827448629219
Energy: 0.8873351953808087
Energy: 0.3084093884903213
Energy: 0.8817671763162563
Energy: 0.8775132439104861
Energy: 1.0209153359174228
Energy: 0.8562833011161172
Energy: 0.8035786041153703
Energy: 0.6430276629511541
Energy: 0.865750734624894
Energy: 0.8073651928477382
Energy: 1.0468915078891332
Energy: 0.84934184670268
Energy: 0.4134307075843054
Energy: 0.4512475596906152
Energy: 0.8858242175084794
Energy: 0.6930477471261286
Energy: 1.0358642983410236
Energy: 0.8335074386218139
Energy: 0.8284784712080715
Energy: 0.820467483267609
Energy: 0.8324353372077795
Energy: 0.8574609134282841
Energy: 1.004795628806087
Energy: 0.7892527337242604
Energy: 0.8720863634275786
Energy: 0.8577161678362238
Energy: 0.7887708839141984
Energy: 0.8714278295576486
Energy: 1.1129130462174583
Energy: 0.893921750719001
Energy: 0.8831932832130037
Energy: 0.7972262664391534
Energy: 0.8208993441543515
Energy: 0.8831220289269002
Energy: 1.0611687017889766
Energy: 0.9033816261353849
Energy: 0.8483186602929523
Energy: 0.8084891146036052
Energy: 0.25199658125454627
Energy: 0.8477552523852073
Energy: 1.1029890588778561
Energy: 0.4108626286888084
Energy: 0.7864662414523623
Energy: 0.8991521999697638
Energy: 0.7101196476239506
Energy: 0.7864644528133364
Energy: 1.0095607228207732
Energy: 0.30118629108246514
Energy: 0.4548863956830964
Energy: 0.8412500310623972
Energy: 0.31335387958728783
Energy: 0.8653653585673594
Energy: 1.0918583878435102
Energy: 0.8806076278069334
Energy: 0.8750248991060897
Energy: 0.8528641718599215
Energy: 0.6044474226594727
Energy: 0.838828372123313
Energy: 1.056438883375228
Energy: 0.8625157215604026
Energy: 0.8822775217400748
Energy: 0.8231213634937367
Energy: 0.8496617934755358
Energy: 0.8088842402392232
Energy: 1.0779097106813995
Energy: 0.8298583971082872
Energy: 0.8295692150071471
Energy: 0.961572965614603
Energy: 0.8516233213252715
Energy: 0.8370262366614956
Energy: 1.055804277126654
Energy: 0.8622896822094008
Energy: 0.8622125997308919
Energy: 0.8475178932356612
Energy: 0.8443730571235991
Energy: 0.8664415243221276
Energy: 1.0109899120166113
Energy: 0.8460214381070116
Energy: 0.8620527056700863
Energy: 0.811855368914405
Energy: 0.8682722962894727
Energy: 0.8735247776036669
Energy: 1.0367842766245412
Energy: 0.8278740966640907
Energy: 0.8306159083391783
Energy: 0.4188853330152509
Energy: 0.8671315254474977
Energy: 0.9564597491929389
Energy: 1.0335862714799837
Energy: 0.8573145116861794
Energy: 0.8415417778273678
Energy: 0.411864573619135
Energy: 0.8434249635448174
Energy: 0.8875708914524282
Energy: 0.9863028713725821
Energy: 0.33572378078180115
Energy: 0.8432173155744953
Energy: 0.0428832770682312
Energy: 0.33583942377317655
Energy: 0.8742504186717369
Energy: 1.010908316103457
Energy: 0.2455512838987863
Energy: 0.8591734900428734
Energy: 0.27907317578078317
Energy: 0.8987464739947161
Energy: 0.8448779471664737
Energy: 1.070982079405021
Energy: 0.8423554588296183
Energy: 0.8617742945714607
Energy: 0.8700886581808583
Energy: 0.8464764451619671
Energy: 0.8612190624532781
Energy: 1.057667990132508
Energy: 0.8437741986661819
Energy: 0.8615638194067557
Energy: 0.8517320531144775
Energy: 0.8361241619630342
Energy: 0.8611623106639105
Energy: 1.0302175897325545
Energy: 0.8547091826042624
Energy: 0.8477608937217911
Energy: 0.8299955714297783
Energy: 0.8211259152265545
Energy: 0.8381253171550832
Energy: 1.043900353399599
Energy: 0.8130728191962276
Energy: 0.8157160655570594
Energy: 0.8783136730716924
Energy: 0.3410300910482419
Energy: 0.8474245781749326
Energy: 1.065414943637462
Energy: 0.19553658309005878
Energy: -0.22656294371225652
Energy: 0.9222621621869346
Energy: 0.29901407526664137
Energy: 0.8857759545275604

minimum gb energy = -0.22656294371225652 eV
minimum distance =  2.32602846672218 Angstroms
sigma value = 101


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

Energy: 1.079000919848726
Energy: -0.18362769905249318
Energy: 0.9701148291270107
Energy: 0.8766658927817291
Energy: -0.19489976384120192
Energy: 0.8670615867414179
Energy: 1.028504938331907
Energy: -0.35990598619191927
Energy: 0.8458319654677424
Energy: 0.8514932227073814
Energy: 0.06492785483317791
Energy: 0.849134169941684
Energy: 0.985520069706374
Energy: 0.8483795425521613
Energy: 0.8459933987360256
Energy: 0.841379670603481
Energy: 0.8511634776464307
Energy: 0.8449969883697616
Energy: 0.9833771060493235
Energy: 0.8500472938841402
Energy: 0.8476666984141958
Energy: 0.845656639547476
Energy: 0.8529523518753019
Energy: 0.8415389785359393
Energy: 1.0106837672769027
Energy: 0.8457876782164686
Energy: 0.8481283709850996
Energy: 0.8391418629798463
Energy: 0.8413021291358732
Energy: 0.8216402512765886
Energy: 1.020479629417348
Energy: 0.8430880654045798
Energy: 0.8422056413821628
Energy: 0.15082027860175762
Energy: 0.8437734349143138
Energy: 0.8423493130030736
Energy: 1.044975000067448
Energy: 0.8476791634653483
Energy: 0.8436062642691156
Energy: 0.810466587751645
Energy: 0.8489819490493867
Energy: 0.8404753923735716
Energy: 1.0046787622137867
Energy: 0.8495235464835078
Energy: 0.8456779999546833
Energy: 0.062225107714648877
Energy: 0.8535775259814387
Energy: 0.8408747593738839
Energy: 1.0040663832188752
Energy: 0.8748296589884665
Energy: 0.8831424502381354
Energy: -0.1997731277423437
Energy: 0.8418219368823723
Energy: 0.8599138252131857
Energy: 1.006343807432874
Energy: 0.8393052534101719
Energy: 0.8386813638347537
Energy: 0.8749851703408915
Energy: 0.841820850406887
Energy: 0.838721466197738
Energy: 1.0154772437904442
Energy: 0.8533617655074325
Energy: 0.8508211878061385
Energy: 0.8454930295981055
Energy: 0.8579933079826657
Energy: 0.8486672209229927
Energy: 0.9780975240503202
Energy: 0.8550458230669061
Energy: 0.8478032664729978
Energy: 0.8607478382734319
Energy: 0.849008823251222
Energy: 0.8466995485860142
Energy: 1.0161354173374442
Energy: 0.8653081635113252
Energy: 0.8459679589493841
Energy: 0.8484960749020772
Energy: 0.8827791015983852
Energy: 0.8479598800346397
Energy: 1.0130137733699314
Energy: -0.27722900779742266
Energy: -0.2691063994829844
Energy: 0.8447590218580501
Energy: -0.07021574731466329
Energy: 0.8296380761804804
Energy: 0.9761172961788968
Energy: -0.037041988537528894
Energy: 0.8559351543964805
Energy: 0.848645785005583
Energy: -0.21120157506408038
Energy: 0.8729053931470945
Energy: 0.9860336889071308
Energy: 0.8709816251984284
Energy: 0.8405658830626475
Energy: 0.8452012991328176
Energy: -0.26495234712625354
Energy: 0.8418393576525641
Energy: 1.014337225227282
Energy: 0.8119384277066033
Energy: 0.8368456032626167
Energy: 0.8561786657088702
Energy: 0.8130880724990548
Energy: 0.850869070478417
Energy: 1.0406476485631848
Energy: 0.06231436753482128
Energy: 0.06220792243946649
Energy: 0.8566427990522499
Energy: 0.06287415837634235
Energy: 0.8359179719938323
Energy: 0.9869945777838928
Energy: 0.8503177566924612
Energy: 0.8478784280677496
Energy: 0.8404927701476185
Energy: 0.8509421764863432
Energy: 0.8442869685202935
Energy: 0.9775807627570525
Energy: 0.8505540928184231
Energy: 0.8481723162331355
Energy: 0.8467209309360025
Energy: 0.8517849141754756
Energy: 0.8481422338411253
Energy: 1.0103972280623803
Energy: 0.8441829721225558
Energy: 0.847401029413968
Energy: 0.8367511295970922
Energy: 0.8444283299331666
Energy: 0.8350503631535442
Energy: 1.0194253701333524
Energy: 0.8438446430878499
Energy: 0.8462675624706563
Energy: -0.3178983710086485
Energy: 0.8781095033267631
Energy: 0.8481768858611167
Energy: 0.9975678644925938
Energy: 0.870029986755921
Energy: 0.865162181799335
Energy: -0.058552132340796946
Energy: -0.6164856580041184
Energy: 0.8696486893540991
Energy: 0.9690898908735672
Energy: -0.5786509288140966
Energy: -0.6501747780250697
Energy: 0.8332589723471522
Energy: 0.8567164778949741
Energy: -0.3352439366949499
Energy: 1.0038002698548465
Energy: 0.8739786578545005
Energy: 0.8705606085403719
Energy: 0.8754913312053342
Energy: 0.8534343305801135
Energy: 0.8706176547140376
Energy: 1.0036482725567022
Energy: 0.8462241832765623
Energy: 0.8744987520530482
Energy: 0.8551617275664597
Energy: 0.849439409344946
Energy: 0.8736812656343523
Energy: 1.0152088267723203
Energy: 0.8545667551510789
Energy: 0.8542601872919015
Energy: 0.843721872494752
Energy: 0.8560900534834148
Energy: 0.8497374109152359
Energy: 0.975568040041685
Energy: 0.8570288091300385
Energy: 0.8554241546978327
Energy: 0.8499453446021428
Energy: 0.8574918167706654
Energy: 0.8484956098233869
Energy: 1.0180349337985786
Energy: -0.01639899667676129
Energy: 0.8718180079769268
Energy: 0.8449755794035242
Energy: -0.01606056798719213
Energy: 0.8706639614848338
Energy: 1.0185516693691974
Energy: -0.01650456720735849
Energy: 0.8718366511482436
Energy: 0.8478317573139256
Energy: 0.8443193816872461
Energy: 0.08958361820308346
Energy: 0.9752493402032125
Energy: 0.8703528993431635
Energy: 0.8730112993237982
Energy: 0.8489883602225403
Energy: 0.8757554935505713
Energy: 0.8744288713654766
Energy: 0.9859662280184176
Energy: 0.8708667062709365
Energy: 0.8702781125607053
Energy: 0.8533385442100099
Energy: 0.8742895750274924
Energy: 0.8713640714877792
Energy: 1.0136555809917485
Energy: -0.1247052730498565
Energy: 0.420980313638078
Energy: 0.8549871031934918
Energy: -0.11920506238558162
Energy: 0.42125441138879355

minimum gb energy = -0.6501747780250697 eV
minimum distance =  2.39213187085569 Angstroms
sigma value = 33


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

Energy: 0.01855258585509094
Energy: 1.0881198884827863
Energy: 0.0194306193702693
Energy: 0.020311021518681253
Energy: 1.0848218908138523
Energy: 0.026241067046715312
Energy: 0.4579891106759607
Energy: 0.1084456900265138
Energy: 0.1105971885322709
Energy: 0.112196178202268
Energy: 0.11050264580223054
Energy: 0.10800941650614201
Energy: 1.439512591376404
Energy: 1.084923156292419
Energy: 1.0847157772110343
Energy: 1.1055660737800077
Energy: 1.0873713090834285
Energy: 1.0835233458871845
Energy: 0.019114653157041448
Energy: 0.10844569002611873
Energy: 0.1105971885322709
Energy: 0.11219617820182352
Energy: 0.11050264580262563
Energy: 0.10800941650614201

minimum gb energy = 0.01855258585509094 eV
minimum distance =  2.51702492513859 Angstroms
sigma value = 1