Model name: model_name=MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.567322999238968
cohesive_energy=4.225801871834611
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01686618661228595
Energy: 0.031476071992299744
Energy: 0.030332679294216753
Energy: 0.03147607199419624
Energy: 0.031476071992299744
Energy: 1.2931052833405112
Energy: 0.031476071992299744
Energy: 1.2931052833411552
Energy: 0.030332679292928568
Energy: 0.03147607198915084
Energy: 0.01686618661228595
Energy: 0.031476071992908056
Energy: 0.03147607199419624
Energy: 1.2931052833411552
Energy: 0.03147607198850675
Energy: 1.2931052833411552

minimum gb energy = 0.01686618661228595 eV
minimum distance =  2.44144576076571 Angstroms
sigma value = 1


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

Energy: 0.5684946957328028
Energy: 0.578520444102226
Energy: 0.33052867200721453
Energy: 0.578520444102226
Energy: 0.523003403131563
Energy: 0.5474123504450777
Energy: 0.5219574460561457
Energy: 0.5474123742672836
Energy: 0.42917541403016507
Energy: 0.538748857026663
Energy: 0.5262321789611734
Energy: 0.5387488570258818
Energy: 0.4856417388105397
Energy: 0.6115377243425788
Energy: 0.5300313034754724
Energy: 0.6115377243090606
Energy: 0.48402054451442345
Energy: 0.5892445777796249
Energy: 0.4572426909275824
Energy: 0.5892445777780626
Energy: 0.4346715500613376
Energy: 0.774521605187628
Energy: 0.41585772342224814
Energy: 0.7745216051899714
Energy: 0.5099316552724764
Energy: 0.5495140387273413
Energy: 0.45304423281307965
Energy: 0.5495140387266312
Energy: 0.31322716759530356
Energy: 0.5787005554550506
Energy: 0.3648291324091595
Energy: 0.5787005554550506
Energy: 0.52993026751511
Energy: 0.7512099527438872
Energy: 0.48724360164432867
Energy: 0.7512099527938098
Energy: 0.4130226859603374
Energy: 0.5359123316896361
Energy: 0.23600430506066322
Energy: 0.5359123316896361
Energy: 0.4921925966729007
Energy: 0.5640042697154285
Energy: 0.5294301520376459
Energy: 0.5640042695553644
Energy: 0.37126500736884877
Energy: 0.5843062827329593
Energy: 0.7652238288176305
Energy: 0.5843062827313971
Energy: 0.5254177055092034
Energy: 0.525247757751593
Energy: 0.5314221492196829
Energy: 0.525247757750812
Energy: 0.4855532620319055
Energy: 0.559910922210926
Energy: 0.47878658826909737
Energy: 0.559910922210926
Energy: 0.502372053961594
Energy: 0.5882233995461407
Energy: 0.5322263931845811
Energy: 0.5882233995453596
Energy: 0.47348244931391953
Energy: 0.5907206967070017
Energy: 0.5276375943320682
Energy: 0.5907206967070017
Energy: 0.5219316611770338
Energy: 0.5410161825480795
Energy: 0.38838889448864794
Energy: 0.5410161825488606
Energy: 0.5192924129043124
Energy: 0.5573948598066373
Energy: 0.5149700826207666
Energy: 0.5573948598058561
Energy: 0.3059674900895489
Energy: 0.5846887903477949
Energy: 0.4662543539752436
Energy: 0.5846887903477949
Energy: 0.5203123028921145
Energy: 0.620845235177303
Energy: 0.5376086649824592
Energy: 0.6208925388868299
Energy: 0.399270809113781
Energy: 0.5380432461509936
Energy: 0.339066553679019
Energy: 0.5380432461502126
Energy: 0.5072751245922658
Energy: 1.0989183029480813
Energy: 0.4632619772230522
Energy: 1.098918302909805
Energy: 0.46184631025593437
Energy: 0.5854147245991269
Energy: 0.38453090090988346
Energy: 0.5854147245991269
Energy: 0.4257625055025516
Energy: 0.541306676667296
Energy: 0.4464592038270913
Energy: 0.5413066766665149
Energy: 0.44107084584364137
Energy: 0.7828348067142353
Energy: 0.5142915560455444
Energy: 0.7828348067173599
Energy: 0.4775860540816514
Energy: 0.5802515331648274
Energy: 0.3889956634490008
Energy: 0.5802515331663897
Energy: 0.5033900239147184
Energy: 0.8151867306166802
Energy: 0.5250383071302922
Energy: 0.8151867306174614
Energy: 0.34537056226998586
Energy: 0.5427139326678824
Energy: 0.5367211218372219
Energy: 0.5427139326686635
Energy: 0.5217909642469636
Energy: 0.5737225089727955
Energy: 0.49885720537154377
Energy: 0.5737225300692255
Energy: 0.5653082819354386
Energy: 0.9260835886268529
Energy: 0.417208766721916
Energy: 0.9260835886237284
Energy: 0.5417247761857672
Energy: 0.5699882874889453
Energy: 0.5275720753808386
Energy: 0.5699882874686354
Energy: 0.45487646362731415
Energy: 0.517527554073692
Energy: 0.5251025838350857
Energy: 0.5175275540744732
Energy: 0.47287040713737194
Energy: 0.5914246314621273
Energy: 0.4904720105121509
Energy: 0.5914246313832314

minimum gb energy = 0.23600430506066322 eV
minimum distance =  2.2566095031202 Angstroms
sigma value = 1


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

Energy: 0.8950511045133942
Energy: 0.7552910899074355
Energy: 0.5205801865554756
Energy: 0.7552910899261391
Energy: 0.6458491410590539
Energy: 0.7617119313622117
Energy: 0.6606041720790478
Energy: 0.7617119287181721
Energy: 0.4842200298458582
Energy: 0.7225326049010258
Energy: 0.6347848016985352
Energy: 0.7225326049001352
Energy: 0.6327202610915899
Energy: 0.6912327578745101
Energy: 0.6001394728509625
Energy: 0.6912327497821564
Energy: 0.6216679278447016
Energy: 0.7149038199050046
Energy: 0.6050270752582051
Energy: 0.7149038199121299
Energy: 0.61527097441963
Energy: 0.7217838884500853
Energy: 0.5989063444625831
Energy: 0.7217838884500853
Energy: 0.6171846331947025
Energy: 0.7048712193243469
Energy: 0.6689087499377057
Energy: 0.7048712192246354
Energy: 0.3881849647244008
Energy: 0.748413918848295
Energy: 0.4958878688059652
Energy: 0.7484139186248646
Energy: 0.614470467284778
Energy: 0.7020582247379638
Energy: 0.644507341150567
Energy: 0.7020581625113176
Energy: 0.5909473396748659
Energy: 0.7434382797007245
Energy: 0.49093392239119626
Energy: 0.7434382796998338
Energy: 0.5874236363201136
Energy: 0.7215913430343696
Energy: 0.6739867398619969
Energy: 0.7215913424352494
Energy: 0.5322471927901928
Energy: 0.7081609095929507
Energy: 0.6349959627437808
Energy: 0.7081609095956227
Energy: 0.7012718806581286
Energy: 0.6954725500323333
Energy: 0.610937137348297
Energy: 0.6954725500341146
Energy: 0.7009359285118678
Energy: 0.7076551565021241
Energy: 0.5979740207207347
Energy: 0.7076551565012333
Energy: 0.5465439253456814
Energy: 0.7133023746418298
Energy: 0.6454039578623584
Energy: 0.713302374658752
Energy: 0.5855762954573773
Energy: 0.7179463864775583
Energy: 0.6549218619128262
Energy: 0.7179463864606362
Energy: 0.5914845694540772
Energy: 0.7501609174307141
Energy: 0.4683404665990844
Energy: 0.7501609174307141
Energy: 0.6362206773969034
Energy: 0.9778121084740331
Energy: 0.6411885865338613
Energy: 0.9778120699226964
Energy: 0.4291225752137942
Energy: 0.7096068565266945
Energy: 0.48153949078114083
Energy: 0.7096068604143975
Energy: 0.6125240048180121
Energy: 0.689562302163392
Energy: 0.6047183710167575
Energy: 0.6895623021046499
Energy: 0.6142984573844283
Energy: 0.7163057738633236
Energy: 0.5555263551597901
Energy: 0.7163057738633236
Energy: 0.6159480362177931
Energy: 0.6945934938004341
Energy: 0.6126264274488797
Energy: 0.6945934938636699
Energy: 0.6271277133659315
Energy: 0.7037027871211159
Energy: 0.5580909680257184
Energy: 0.7037027871193346
Energy: 0.5160132204170067
Energy: 0.7449625839317484
Energy: 0.6444490069903313
Energy: 0.7449625839272952
Energy: 0.6465382485932647
Energy: 0.7156396459846096
Energy: 0.6597870346302293
Energy: 0.7156396440251518
Energy: 0.8950511045160661
Energy: 0.7552910898869913
Energy: 0.5205801865563663
Energy: 0.7552910898869913
Energy: 0.6458491410590539
Energy: 0.7617119091246853
Energy: 0.6606041720790478
Energy: 0.7617119178989893
Energy: 0.4842200298093418
Energy: 0.7225326047042744
Energy: 0.6347848016958634
Energy: 0.7225326046615235
Energy: 0.6327202610924806
Energy: 0.6912327571284741
Energy: 0.600139472850072
Energy: 0.6912327523941327

minimum gb energy = 0.3881849647244008 eV
minimum distance =  2.2470738659522 Angstroms
sigma value = 25


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

Energy: 0.8856855304206888
Energy: 0.865563094666896
Energy: 0.6948490870454155
Energy: 0.8655630946658606
Energy: 0.8332511478276573
Energy: 0.8440112579945321
Energy: 0.8144432281116442
Energy: 0.8440112580234748
Energy: 0.6628189466218869
Energy: 1.0392253752991294
Energy: 0.7537276629605304
Energy: 1.0392253753001648
Energy: 0.7319514727488338
Energy: 0.9024325734709774
Energy: 0.7372558691931392
Energy: 0.9024325734678713
Energy: 0.714329524390531
Energy: 1.1305434829595946
Energy: 0.692020982090611
Energy: 1.13054348296063
Energy: 0.7904751863568296
Energy: 0.9823337422916184
Energy: 0.803622007175807
Energy: 0.9823337423071488
Energy: 0.7867146332768495
Energy: 0.7917127488702083
Energy: 0.7801534356869804
Energy: 0.7917127501172438
Energy: 0.7391070479052131
Energy: 0.8606818430597001
Energy: 0.5855346346797714
Energy: 0.8606818430597001
Energy: 0.7298295540397952
Energy: 0.8757632546410407
Energy: 0.7822984746610392
Energy: 0.8757632544671484
Energy: 0.7599433386109956
Energy: 0.9812971667304531
Energy: 0.6998732647535977
Energy: 0.9812971667738908
Energy: 0.7762293224304895
Energy: 0.9084192719654415
Energy: 0.8295895287859911
Energy: 0.9084192719644061
Energy: 0.6923340171892011
Energy: 0.8928500319570571
Energy: 0.8149498313433722
Energy: 0.8928500319560218
Energy: 0.7609507451949996
Energy: 0.8952035695345529
Energy: 0.685841694518486
Energy: 0.8952035695335178
Energy: 0.7456368688445895
Energy: 0.8660376360427732
Energy: 0.76748729178877
Energy: 0.8660376360386317
Energy: 0.6011939255337359
Energy: 0.863953808943378
Energy: 0.6207137152305755
Energy: 0.8639538089444135
Energy: 0.8104919012822035
Energy: 0.8432239679610566
Energy: 0.7450734515428745
Energy: 0.8432239667750596
Energy: 0.5739140268381612
Energy: 0.966347189666192
Energy: 0.5705852445861537
Energy: 0.966347189666192
Energy: 0.7098098981368561
Energy: 1.1274718814238838
Energy: 0.7313923345334223
Energy: 1.1274718814238838
Energy: 0.6621416206210938
Energy: 0.8789560763415538
Energy: 0.7294763358737794
Energy: 0.8789558348781781
Energy: 0.8211924739985096
Energy: 1.01444706186683
Energy: 0.7761877911280552
Energy: 1.0144470618678652
Energy: 0.8172103623654497
Energy: 0.8489896461161947
Energy: 0.8015295059908615
Energy: 0.8489896461131354
Energy: 0.8127189668547451
Energy: 0.8677380062443335
Energy: 0.7594190407287496
Energy: 0.8677380062412274
Energy: 0.8055966332051927
Energy: 0.8954283339252922
Energy: 0.825296256346459
Energy: 0.8954283339201625
Energy: 0.6745669190990146
Energy: 0.9948994559708716
Energy: 0.7907193414298578
Energy: 0.9948994560195333
Energy: 0.8031481227936602
Energy: 0.8808717797732586
Energy: 0.7260665006201499
Energy: 0.8808717797546222

minimum gb energy = 0.5705852445861537 eV
minimum distance =  2.21720607304508 Angstroms
sigma value = 9


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

Energy: 1.145651528217298
Energy: 1.0297088730555815
Energy: 0.7917785502173882
Energy: 1.0297088709667161
Energy: 0.8892847395104427
Energy: 1.4632595189995627
Energy: 0.9334556091624606
Energy: 1.4632595189995627
Energy: 0.808376656003246
Energy: 1.223207729178685
Energy: 0.8334762696965662
Energy: 1.2232077291836256
Energy: 1.177297725550934
Energy: 1.0635071343952962
Energy: 0.7844644044659074
Energy: 1.0635071343952962
Energy: 0.9782806921187709
Energy: 1.2024433639731882
Energy: 0.8616028158346197
Energy: 1.202443364000332
Energy: 0.7031287661001224
Energy: 1.0452673457792783
Energy: 0.897640738902462
Energy: 1.0452673457805135
Energy: 1.0359013902824976
Energy: 0.8224622354624841
Energy: 0.7643142809551582
Energy: 0.8224644748047473
Energy: 0.8271440769457903
Energy: 1.0425111977357273
Energy: 0.7630859051768791
Energy: 1.0425111979073503
Energy: 1.019801144983281
Energy: 1.248090889182009
Energy: 0.9309706012129975
Energy: 1.248090889182009
Energy: 0.9637107478063035
Energy: 1.060971910842166
Energy: 0.9071942764219911
Energy: 1.0609719107989655
Energy: 0.895292934778976
Energy: 1.0259787414768011
Energy: 0.8598404759889717
Energy: 1.0259787414842116
Energy: 0.9608295598215004
Energy: 1.1819614507260927
Energy: 0.7455801172380482
Energy: 1.1819614506236074
Energy: 0.7150426474604441
Energy: 1.052552259432504
Energy: 0.784407993528499
Energy: 1.0525522593893037
Energy: 0.7529177150270624
Energy: 0.9513884720486685
Energy: 0.9110913045801413
Energy: 0.951388240299596
Energy: 0.7135714307867909
Energy: 1.040603951837188
Energy: 0.8103447107236925
Energy: 1.0406039518779462
Energy: 0.9534341646016424
Energy: 1.2122927727529325
Energy: 0.7471755029732732
Energy: 1.2122927727516972
Energy: 0.9008416286501857
Energy: 1.0343568692441
Energy: 0.8910964559416242
Energy: 1.0343568692441
Energy: 0.964070066365452
Energy: 1.0531194388525056
Energy: 0.8977251583979101
Energy: 1.0531194393994028
Energy: 1.0212586701693889
Energy: 1.2781944580953783
Energy: 0.9305404475927995
Energy: 1.2781944580941431
Energy: 0.7972454301927302
Energy: 1.072829434138172
Energy: 0.7475023203212516
Energy: 1.072829434028276
Energy: 1.0461279198088833
Energy: 0.7528438476689769
Energy: 0.7604622622171209
Energy: 0.7528438471961296

minimum gb energy = 0.7031287661001224 eV
minimum distance =  2.26862960182234 Angstroms
sigma value = 25


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

Energy: 0.9399456777643599
Energy: 1.1053021400462133
Energy: 0.9372624184452082
Energy: 1.105302140108804
Energy: 0.7904455838749935
Energy: 1.4208807104332135
Energy: 1.1824227252777855
Energy: 1.4208807104332135
Energy: 0.7297966554425906
Energy: 1.2838115674299886
Energy: 1.0359331933361768
Energy: 1.2838115674299886
Energy: 0.8948223436592803
Energy: 1.4689459975906412
Energy: 0.9952853317355158
Energy: 1.4689459975906412
Energy: 0.8580922861673136
Energy: 1.1910223238164088
Energy: 0.9401276569464961
Energy: 1.1910223238011344
Energy: 1.0155795774829537
Energy: 1.28432600555529
Energy: 0.747316361538456
Energy: 1.28432600555529
Energy: 1.2497327297388574
Energy: 0.9766632178562771
Energy: 0.8950339496511599
Energy: 0.976663217931087
Energy: 0.9800821709669815
Energy: 1.415488762130852
Energy: 0.8758103432654002
Energy: 1.415488762130852
Energy: 1.0398781882629256
Energy: 1.3289804546670207
Energy: 0.7930597219294314
Energy: 1.3289804546685484
Energy: 1.0267052436941642
Energy: 1.2819012983933717
Energy: 1.0127502353752076
Energy: 1.2819012983903169
Energy: 0.8881525778408584
Energy: 1.416500314779902
Energy: 0.9350626739245208
Energy: 1.4165003147783746
Energy: 1.1779603063603727
Energy: 0.9548220505785379
Energy: 1.0765850542013893
Energy: 0.9548220335871992
Energy: 0.8650126841953619
Energy: 1.317051143994529
Energy: 1.0445349423557073
Energy: 1.3170511439930017
Energy: 1.3029826730910563
Energy: 1.1687253600278245
Energy: 0.8032495234932606
Energy: 1.1687253600278245
Energy: 1.083102786055248
Energy: 1.4048824492718128
Energy: 0.9983323468163423
Energy: 1.4048824492718128
Energy: 1.1484214859753508
Energy: 1.2837944702505952
Energy: 1.0166103758091634
Energy: 1.2837944706216249
Energy: 0.7985113618815598
Energy: 1.0655961231918567
Energy: 0.9274871218418437
Energy: 1.0655961157931686

minimum gb energy = 0.7297966554425906 eV
minimum distance =  2.29162800077218 Angstroms
sigma value = 17


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

Energy: 1.1131181027603427
Energy: 1.014331212665261
Energy: 0.9923967816259781
Energy: 1.0143312102778246
Energy: 0.9403358052741395
Energy: 0.9637865414382627
Energy: 0.8015142535469866
Energy: 0.9637865414322072
Energy: 0.8666478667000462
Energy: 1.080194374691426
Energy: 0.802421463350672
Energy: 1.080194374691426
Energy: 0.7974305443979985
Energy: 1.1076075662576303
Energy: 0.9129689967438485
Energy: 1.1076075662593603
Energy: 0.8383281555177886
Energy: 1.0208095564406283
Energy: 0.8505189999598609
Energy: 1.0208095593891808
Energy: 0.7479394523027432
Energy: 1.0876141271097648
Energy: 0.8210306208408201
Energy: 1.0876141272732236
Energy: 1.1414164882561857
Energy: 0.9520236504316896
Energy: 0.8721818842068143
Energy: 0.952023650437745
Energy: 0.810360105196004
Energy: 1.1150582006870053
Energy: 0.9428193907850397
Energy: 1.11505820068441
Energy: 0.9235753293222647
Energy: 1.4056933803962293
Energy: 0.9080649100640465
Energy: 1.4056933803962293
Energy: 0.9507060660532383
Energy: 1.0291829752418038
Energy: 0.8846447753774132
Energy: 1.0291829770507441
Energy: 1.0285165037156996
Energy: 1.0995938951651527
Energy: 0.8444932468098354
Energy: 1.0995938951694777
Energy: 1.0372651759938656
Energy: 0.9944134901742756
Energy: 0.9032726406962198
Energy: 0.9944134901301964
Energy: 0.8916481213872003
Energy: 1.0609173495228768
Energy: 0.95569891650464
Energy: 1.0609173493975204
Energy: 1.0424928440274666
Energy: 1.4186637159087943
Energy: 0.9309611056668893
Energy: 1.4186637159217308
Energy: 0.8552953257727529
Energy: 1.0708568748763896
Energy: 1.0876140355412554
Energy: 1.0708568748729688
Energy: 0.8645540794708109
Energy: 1.0704256236095042
Energy: 1.187077912381158
Energy: 1.070425616732668
Energy: 1.128911494038663
Energy: 1.0650595379164214
Energy: 0.9780211014459687
Energy: 1.0650595385389967
Energy: 0.8231708185632586
Energy: 1.0366994870502109
Energy: 0.7872584776594936
Energy: 1.0366994870346395
Energy: 1.1033377743744874
Energy: 1.0609072046201207
Energy: 0.8808422673897626
Energy: 1.0609072046123351
Energy: 0.9493130426104109
Energy: 1.0581771679935619
Energy: 0.7803565619925362
Energy: 1.0581770114767197
Energy: 0.8610152843856363
Energy: 1.1150331783442644
Energy: 0.8402055082608643
Energy: 1.1150331784454381
Energy: 0.8750304058155838
Energy: 1.06812505938897
Energy: 0.9946427827043831
Energy: 1.0681255283808966
Energy: 0.9296080474831279
Energy: 1.0880887225171836
Energy: 1.034582363669155
Energy: 1.088088714646814
Energy: 0.8975491350989839
Energy: 1.0684752573945686
Energy: 0.9095458748518805
Energy: 1.068475255594279
Energy: 0.9506147199232975
Energy: 1.0713573490651476
Energy: 0.9092633793557933
Energy: 1.0713573490832748
Energy: 0.9484007987093568
Energy: 1.2979005820262792
Energy: 1.060830089097179
Energy: 1.2979005818758356
Energy: 0.8383140556969043
Energy: 1.1249012631389188
Energy: 0.9311356414047282
Energy: 1.124901263141514
Energy: 0.8426457337719382
Energy: 1.0759136323321539
Energy: 0.8365018614155779
Energy: 1.0759136431139174
Energy: 0.9581755348750569
Energy: 1.1990145341641945
Energy: 0.7683904970052504
Energy: 1.1990145341719802
Energy: 0.9673641073387494
Energy: 1.0531004860320583
Energy: 0.83259872713056
Energy: 1.053100486027733

minimum gb energy = 0.7479394523027432 eV
minimum distance =  2.26836656861756 Angstroms
sigma value = 53


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

Energy: 1.0226685591436329
Energy: 1.1000247203947529
Energy: 1.0638919418455273
Energy: 1.1000247203947529
Energy: 1.0998776355222235
Energy: 1.2421328775132479
Energy: 1.024265312244522
Energy: 1.242132877525152
Energy: 1.0225646400443813
Energy: 1.2529023023989703
Energy: 1.2850284664031617
Energy: 1.2529023023989703
Energy: 1.0282213341800577
Energy: 1.2937883795556309
Energy: 1.1270906229752333
Energy: 1.2937883795536396
Energy: 1.1368738247863999
Energy: 1.2605837509914504
Energy: 1.165931581212628
Energy: 1.2605837509894589
Energy: 1.0226685591436329
Energy: 1.1000247204007276
Energy: 1.0624765673386962
Energy: 1.1000247204066569
Energy: 1.0998776345368633
Energy: 1.242132877602822
Energy: 1.1912000635468827
Energy: 1.2421328775948557
Energy: 1.0225646417324388
Energy: 1.2529023024009618
Energy: 1.2850284664091363
Energy: 1.2529023024009618
Energy: 1.0282213341820492
Energy: 1.2937883795536396
Energy: 0.9287353438935999
Energy: 1.2937883795536396
Energy: 1.1368738247883912
Energy: 1.2605837509934417
Energy: 1.4509035165087871
Energy: 1.2605837509914504
Energy: 1.0226685591436329
Energy: 1.100024720295221
Energy: 1.0909664630611509
Energy: 1.100024720295221
Energy: 1.0998776349389734
Energy: 1.242132877702354
Energy: 1.1912000634234525
Energy: 1.242132877696379
Energy: 1.0225646410794849
Energy: 1.2529023023989703
Energy: 1.2850284664091363
Energy: 1.2529023024009618

minimum gb energy = 0.9287353438935999 eV
minimum distance =  2.27184803841838 Angstroms
sigma value = 9


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

Energy: 0.8768323602937524
Energy: 1.2042254268304635
Energy: 1.2510720872996974
Energy: 1.2042254268312005
Energy: 1.1219309472481729
Energy: 0.8966940283117576
Energy: 0.8684418280957269
Energy: 0.8966940283154432
Energy: 1.0692424916149743
Energy: 1.0644506048184412
Energy: 0.8355863591245994
Energy: 1.0644506048177043
Energy: 1.201692959220002
Energy: 1.2363842778869145
Energy: 0.8123712249103205
Energy: 1.236384277883966
Energy: 1.0371984647549968
Energy: 0.9465447066704409
Energy: 0.844679311791772
Energy: 0.9465447067006622
Energy: 0.8826898207697489
Energy: 0.9582132871590725
Energy: 0.8843479927318701
Energy: 0.9582132871590725
Energy: 1.1167374295049115
Energy: 0.955269404691369
Energy: 0.8528103356999602
Energy: 0.9552694046604105
Energy: 0.834770655969165
Energy: 1.5440212330579328
Energy: 0.9603341857181593
Energy: 1.5440212330571956
Energy: 1.049235636190533
Energy: 1.2527777965679896
Energy: 0.8848827891818996
Energy: 1.2528131105787466
Energy: 0.8232420888753282
Energy: 0.970595935323926
Energy: 0.844475614813913
Energy: 0.9705959888498955
Energy: 0.8177506073609513
Energy: 1.2473678298482858
Energy: 1.0318872008795905
Energy: 1.247367829857131
Energy: 0.9853586365445962
Energy: 1.2456737512876994
Energy: 0.827729630843725
Energy: 1.2456737511499283
Energy: 0.7964098656944354
Energy: 1.1049949172349847
Energy: 1.0044176543328627
Energy: 1.1049948470600814
Energy: 1.27599522977729
Energy: 1.4526270830441088
Energy: 0.8780037749323872
Energy: 1.4526271001343658
Energy: 0.8114312666571989
Energy: 1.0974586038409349
Energy: 1.0829209968861926
Energy: 1.0974586038394607
Energy: 0.8167030532457639
Energy: 1.2332321879346508
Energy: 1.1922418537932573
Energy: 1.2332321686797918
Energy: 1.0007573351317216
Energy: 1.0546288642502821
Energy: 0.8119891005076816
Energy: 1.0546288643806823
Energy: 0.8096605511300581
Energy: 0.9568315128866796
Energy: 0.9782257713147456
Energy: 0.9568315128727415
Energy: 1.3126313917998378
Energy: 1.072559712178612
Energy: 0.8925403374373762
Energy: 1.0725597117777619
Energy: 0.8754006495780945
Energy: 0.8837781949289141
Energy: 0.9643635228232333
Energy: 0.8837781948044107
Energy: 1.2219929319944387
Energy: 1.2440464879726794
Energy: 1.1835801967795403
Energy: 1.244046494983864
Energy: 1.0792939708216138
Energy: 0.96334026035437
Energy: 0.8213867159631338
Energy: 0.9633402258998549
Energy: 0.8842761270262396
Energy: 1.0888875863054057
Energy: 0.8230243850543537
Energy: 1.0888875866914465
Energy: 1.1295863907959751
Energy: 1.4691083725439935
Energy: 0.8192976015645183
Energy: 1.4691083725454679
Energy: 0.8582457395480331
Energy: 1.2874068868788175
Energy: 1.2425466219161971
Energy: 1.2874068868891368
Energy: 1.119634910329346
Energy: 0.9376193001831581
Energy: 0.8249666104768897
Energy: 0.9376193001934776
Energy: 0.9446526641606153
Energy: 1.0416117007673034
Energy: 1.2798288743034887
Energy: 1.041611701965296
Energy: 0.8577600195272201
Energy: 1.4890752206456757
Energy: 1.262469430696987
Energy: 1.4890752206464124
Energy: 0.8740594373368739
Energy: 0.9142323061802521
Energy: 0.7695138193708457
Energy: 0.914232177990894
Energy: 0.8540833361769711
Energy: 1.3197079799750193
Energy: 1.1047323403431035
Energy: 1.319707979821769
Energy: 1.0889923625467839
Energy: 1.4832073237662684
Energy: 0.8221764070138133
Energy: 1.4832073237684795
Energy: 0.8586136354513931
Energy: 0.9040594248569329
Energy: 1.0506454451610003
Energy: 0.9040855516719208
Energy: 0.8647302483618409
Energy: 1.1306869481267154
Energy: 0.8207490095233315
Energy: 1.130686947993367
Energy: 1.2057474543201745
Energy: 1.5478061359547675
Energy: 1.1717157310484554
Energy: 1.5478061359577158
Energy: 0.8694388053125738
Energy: 1.0129030319627235
Energy: 1.052532847119413
Energy: 1.0129030939277794

minimum gb energy = 0.7695138193708457 eV
minimum distance =  2.24262293638654 Angstroms
sigma value = 73


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

Energy: 1.125218657920333
Energy: 1.1811724091691163
Energy: 1.2932601979443044
Energy: 1.1811724091691163
Energy: 0.9770689145109251
Energy: 1.1341557172203454
Energy: 0.9935270028765102
Energy: 1.1341557183682633
Energy: 0.8941027632695061
Energy: 1.1108052782855613
Energy: 0.9605830941449255
Energy: 1.1108052765321221
Energy: 0.9495202781166374
Energy: 1.1597692931062316
Energy: 0.9355282957612417
Energy: 1.1597688783847206
Energy: 1.026439883833547
Energy: 1.0132596521111052
Energy: 0.9488130452175262
Energy: 1.0132596559558018
Energy: 1.0328570433154503
Energy: 1.309952936799855
Energy: 1.046425484461442
Energy: 1.3099529774303602
Energy: 1.1283290308965437
Energy: 1.3559131207872985
Energy: 0.9258934373105798
Energy: 1.3559131210187478
Energy: 0.98091942293195
Energy: 1.2121541954940926
Energy: 1.1722305166502223
Energy: 1.2121578523272323
Energy: 1.2201136992937864
Energy: 0.9665222563722179
Energy: 1.0267278219976979
Energy: 0.9665222561021758
Energy: 0.8905889593243843
Energy: 1.0356319908381686
Energy: 1.0136720491295093
Energy: 1.0356319908591922
Energy: 0.9719226392119454
Energy: 0.9882406268783107
Energy: 1.111823664916002
Energy: 0.9882402745333685
Energy: 1.091688642962645
Energy: 1.1716474882066261
Energy: 0.9494804421307702
Energy: 1.171647490475564
Energy: 0.877443060276449
Energy: 1.1326183709825357
Energy: 1.2943260735203004
Energy: 1.13259494963662
Energy: 1.1171307718753878
Energy: 1.2085703184183272
Energy: 0.8947306753193004
Energy: 1.2172723762865074
Energy: 1.0214310580178276
Energy: 1.0813332115705527
Energy: 1.2377286795076576
Energy: 1.0813332116301693
Energy: 1.150943627563181
Energy: 0.9869130666199477
Energy: 0.9665314272100369
Energy: 0.9869130666760559
Energy: 1.0434469437568654
Energy: 1.235540552108164
Energy: 0.8901756034824562
Energy: 1.2355405521467566
Energy: 1.0134994084043984
Energy: 1.1777761193445595
Energy: 0.9061682568408937
Energy: 1.1777761195806868
Energy: 0.9657792709444699
Energy: 1.1893979074817291
Energy: 0.9850653162361878
Energy: 1.1893979074817291
Energy: 0.9738853393092756
Energy: 1.3396124430520027
Energy: 1.0673945684232986
Energy: 1.339612443016945
Energy: 1.1607083209130162
Energy: 1.2603105304672382
Energy: 0.8773943909618201
Energy: 1.2603105299271808
Energy: 0.8849821666830766
Energy: 1.041820625940474
Energy: 1.095982072860121
Energy: 1.041820625940474

minimum gb energy = 0.8773943909618201 eV
minimum distance =  2.27281035101413 Angstroms
sigma value = 7


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

Energy: 0.9635147845483686
Energy: 0.9654101985452033
Energy: 1.3765944249533744
Energy: 0.9654101979707038
Energy: 1.0209211021093838
Energy: 1.1744865111556069
Energy: 0.9614495411383412
Energy: 1.1744865095809958
Energy: 0.953629083088112
Energy: 1.501566804955888
Energy: 0.8707757679994419
Energy: 1.501566804954234
Energy: 0.8327589885800617
Energy: 0.99054855938042
Energy: 0.9224284212766486
Energy: 0.9905487223124467
Energy: 1.066996739754715
Energy: 1.000976086753135
Energy: 0.8994323158988335
Energy: 1.0009760881963374
Energy: 1.1016942480905212
Energy: 1.0289899847611594
Energy: 1.0771687495910194
Energy: 0.9588309387396923
Energy: 1.0607052181539138
Energy: 1.448898646229411
Energy: 0.8831257463477242
Energy: 1.4488986466211935
Energy: 1.114547983680916
Energy: 1.1494521654465164
Energy: 1.2093759673893403
Energy: 1.1494521650481182
Energy: 1.025543650464255
Energy: 1.2019501284852487
Energy: 0.9534275036936369
Energy: 1.201950128478633
Energy: 1.0679930409328273
Energy: 0.947034992920062
Energy: 1.0578282778189332
Energy: 0.9470350527674307
Energy: 0.8794253927772978
Energy: 1.2273990512614175
Energy: 0.8627209187777636
Energy: 1.227399046635088
Energy: 0.8767773727194819
Energy: 0.998652390661703
Energy: 0.8664319290210105
Energy: 0.9986523910857366
Energy: 0.9038683933287283
Energy: 1.1924720762394716
Energy: 0.8763709467745575
Energy: 1.1924720762402983
Energy: 0.8921699124974387
Energy: 1.1202555581477738
Energy: 0.8658551269785465
Energy: 1.1202559518703892
Energy: 1.0464021450982324
Energy: 1.085424908977967
Energy: 0.9403481717934139
Energy: 1.0854273274936135
Energy: 1.3637968459437066
Energy: 1.012051951087385
Energy: 1.0339893304842815
Energy: 1.0120498547790902
Energy: 1.0523567736014467
Energy: 0.9958039298992148
Energy: 1.0292418987207572
Energy: 0.99580244661887
Energy: 0.8909325574901327
Energy: 1.3554598565083402
Energy: 0.8614214609141401
Energy: 1.3554598565116478
Energy: 1.068774570787926
Energy: 1.2164358389075176
Energy: 0.8812816730333276
Energy: 1.2164358387694936
Energy: 1.059987030555893
Energy: 1.000372451079501
Energy: 0.8668015544676702
Energy: 1.0003724561794807
Energy: 0.8696321762628436
Energy: 1.61244978711644
Energy: 1.057037520334607
Energy: 1.612449787113132
Energy: 1.062320749037029
Energy: 1.2155016765095328
Energy: 1.0659728622452702
Energy: 1.215501676507052
Energy: 1.0358849824620824
Energy: 1.3666368445487953
Energy: 1.0090933643579043
Energy: 1.3666368445438333
Energy: 0.9813377773654745
Energy: 0.9886760188020812
Energy: 1.144375092141257
Energy: 0.9878653202512174
Energy: 0.8361432482649069
Energy: 1.0031342833223713
Energy: 0.899697734403931
Energy: 1.003134283297563
Energy: 0.9004189401298726
Energy: 1.160675385396547
Energy: 0.8760447800747624
Energy: 1.1606753873464395
Energy: 1.080422941426255
Energy: 0.9282359362549535
Energy: 0.9610431008805462
Energy: 0.9282359358491126
Energy: 0.8887571838246267
Energy: 0.986368968176609
Energy: 0.9816474680406518
Energy: 0.9863689678575597
Energy: 1.084892922685776
Energy: 1.101378832365361
Energy: 1.0736033244894285
Energy: 1.1030346968844054
Energy: 1.0690916904422088
Energy: 0.9077420460804692
Energy: 0.9429589769745671
Energy: 0.9077346739954952
Energy: 1.107489983864283
Energy: 0.9801468496123076
Energy: 1.1557667224117867
Energy: 0.9771858855049379

minimum gb energy = 0.8327589885800617 eV
minimum distance =  2.24326778202814 Angstroms
sigma value = 29


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

Energy: 1.0983610149425327
Energy: 1.2586083734169042
Energy: 1.2275066627977795
Energy: 1.2586083734186002
Energy: 0.9866531929092106
Energy: 1.2505153749040419
Energy: 1.1162856607026992
Energy: 1.250515377081905
Energy: 1.1086015508876665
Energy: 1.2799730195086043
Energy: 1.2526887472740478
Energy: 1.2799730151236246
Energy: 1.01198573607068
Energy: 1.4066821106993959
Energy: 0.9791166292462764
Energy: 1.4066821107216396
Energy: 1.085847651300285
Energy: 1.2125522522022134
Energy: 1.3067435199474773
Energy: 1.2125522522036218
Energy: 1.1153213944682079
Energy: 1.3353218288668969
Energy: 1.1174145926424517
Energy: 1.3353218288671531
Energy: 1.1137048559109362
Energy: 1.2053765182506824
Energy: 1.0316288056688803
Energy: 1.2053765182506824
Energy: 1.0638832227301065
Energy: 1.4123985211522294
Energy: 1.0354295215208835
Energy: 1.4123985211589827
Energy: 1.2958381802634686
Energy: 1.3130975467107877
Energy: 0.9962830298721896
Energy: 1.3130975465604586

minimum gb energy = 0.9791166292462764 eV
minimum distance =  2.3274964104897 Angstroms
sigma value = 5


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

Energy: 0.8662636437167465
Energy: 1.001121829959777
Energy: 1.3053466761631354
Energy: 1.0011198722132524
Energy: 1.087669886740865
Energy: 1.1774502465470085
Energy: 0.9793518740304997
Energy: 1.1774502465345102
Energy: 0.992079627429076
Energy: 0.9694687356593444
Energy: 1.0090049955249563
Energy: 0.9694687037027735
Energy: 1.0049420481969804
Energy: 1.2342235494587794
Energy: 0.8890691357971764
Energy: 1.2342235496094696
Energy: 0.9029306330429363
Energy: 1.1017636837267604
Energy: 0.9394867947983242
Energy: 1.1017636837064508
Energy: 1.0221069053071927
Energy: 0.8380241007790479
Energy: 0.9750284783333915
Energy: 0.8341224438536282
Energy: 0.9672236330098611
Energy: 0.8459335937994831
Energy: 0.9159532465237746
Energy: 0.8459335939884495
Energy: 1.0050950291471425
Energy: 1.1115485121379882
Energy: 0.9827761672708093
Energy: 1.111548455121662
Energy: 0.890115893444675
Energy: 1.073508281737732
Energy: 0.9664198745252457
Energy: 1.073508281359799
Energy: 0.9043649207473007
Energy: 0.8836676413516347
Energy: 1.0012302874036962
Energy: 0.8836670031609286
Energy: 1.0248507019055804
Energy: 1.2464531622810378
Energy: 0.9773824261462074
Energy: 1.246453166997815
Energy: 0.9645192418265408
Energy: 1.0070334839697186
Energy: 0.9341515320375631
Energy: 1.0070335022201469
Energy: 1.0122656254714908
Energy: 0.8558811081942627
Energy: 0.9246676502779254
Energy: 0.8558797538678986
Energy: 0.9304882411726503
Energy: 0.9992822927245454
Energy: 0.913017385148825
Energy: 0.9992823860083077
Energy: 1.083585658487246
Energy: 1.0870802515367004
Energy: 0.9774143570396298
Energy: 1.087079249876571
Energy: 0.854175177972864
Energy: 1.1241778509947236
Energy: 1.2255186649622216
Energy: 1.1241778509853497
Energy: 1.019407055018765
Energy: 1.0830551898990506
Energy: 0.9287066589076649
Energy: 1.0830550773639271
Energy: 0.9407134610319148
Energy: 0.9050572484691195
Energy: 0.9678936928295491
Energy: 0.9049547897866757
Energy: 0.8889005257564071
Energy: 1.0900079398483282
Energy: 0.9920119081258925
Energy: 1.0900079407805916
Energy: 1.019463286664338
Energy: 1.177543722149772
Energy: 0.8875467366484113
Energy: 1.1775437217663711
Energy: 1.041777182547997
Energy: 1.2968350783860103
Energy: 0.8852618795280153
Energy: 1.2968350787326264
Energy: 0.9147987618943172
Energy: 0.8166561570406253
Energy: 0.8712964304553635
Energy: 0.8166561589090574
Energy: 0.9400615398151263
Energy: 1.137481514951124
Energy: 1.0265074031853791
Energy: 1.1374810607316945
Energy: 0.9474932791187014
Energy: 1.2543963686694906
Energy: 1.0063239318380701
Energy: 1.2543963686585546
Energy: 1.0470919523454285
Energy: 1.0860388678506014
Energy: 0.9780512543285681
Energy: 1.0860388666754726
Energy: 0.8984670600899578
Energy: 1.3085167014962003
Energy: 0.9179130707531238
Energy: 1.3085167015781498
Energy: 0.9591095168752
Energy: 1.0849716715697364
Energy: 0.9326292344052789
Energy: 1.0849716392024948
Energy: 1.0710571924059824
Energy: 1.3776322562085916
Energy: 0.9029789687705112
Energy: 1.377632256210154
Energy: 0.9752380993507039
Energy: 1.2785153423094067
Energy: 1.0440345560879156
Energy: 1.2785153423367466
Energy: 1.1695232938344233
Energy: 0.8571065776435182
Energy: 0.9526135677239209
Energy: 0.8571099729738668
Energy: 0.9541930325434466
Energy: 0.8638204685959606
Energy: 1.02782265198014
Energy: 0.863820483035316
Energy: 0.9979657443867325
Energy: 0.855288227122662
Energy: 0.9942648609246376
Energy: 0.8678507027308753
Energy: 0.8734928304092346
Energy: 1.3226529266058893
Energy: 1.0347821232276224
Energy: 1.3226529266074514

minimum gb energy = 0.8166561570406253 eV
minimum distance =  2.16878757225036 Angstroms
sigma value = 1


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

Energy: 0.9072497082340134
Energy: 0.9786644340870109
Energy: 1.244858905137286
Energy: 0.9786644340870109
Energy: 0.7076674237376946
Energy: 1.5236373468488886
Energy: 0.8691194546143364
Energy: 1.5236373468499687
Energy: 0.9296739517115971
Energy: 0.8833007951473829
Energy: 1.4194611473288405
Energy: 0.8833010738034828
Energy: 0.8706170687971694
Energy: 1.1773121222406437
Energy: 0.903845760404539
Energy: 1.1773121222374037
Energy: 0.9289070427606961
Energy: 1.0323323357526435
Energy: 1.0612757508379522
Energy: 1.03233233643927
Energy: 0.9626938492884669
Energy: 1.3729237893019643
Energy: 0.9122623049037554
Energy: 1.3729237893030444
Energy: 0.9307857177165332
Energy: 0.8747947978920527
Energy: 0.8484666883968504
Energy: 0.8747947978834122
Energy: 0.9244029438612383
Energy: 1.179717305925682
Energy: 0.9406222583887389
Energy: 1.179717305927842
Energy: 0.8842586719483966
Energy: 1.0739097486582243
Energy: 0.8658641631737284
Energy: 1.0739097488168958
Energy: 0.8700663757658911
Energy: 1.1730159756502738
Energy: 1.0312346906516399
Energy: 1.1730159756157117
Energy: 0.9243832106408854
Energy: 1.1596868933818218
Energy: 0.9225822854791058
Energy: 1.1596869084172083
Energy: 0.9241157007905052
Energy: 0.8733960287650201
Energy: 0.8591678611145267
Energy: 0.8733960287628599
Energy: 0.9669242206481485
Energy: 1.1901596121055242
Energy: 0.9124239459138106
Energy: 1.1901596064074458
Energy: 0.9288415252226372
Energy: 0.8765724123079818
Energy: 0.8389162577491465
Energy: 0.8765724123328231
Energy: 0.8674642050176005
Energy: 1.2008756567548597
Energy: 0.9056416369200467
Energy: 1.200875656744108
Energy: 0.9282853612672133
Energy: 0.8659196563030523
Energy: 1.1686916278319905
Energy: 0.8536005772574998
Energy: 0.7440659304487889
Energy: 1.4433098055767626
Energy: 0.8495229807083772
Energy: 1.4433098055789229
Energy: 0.9072497082340134
Energy: 0.9786644340870109
Energy: 1.360888128473075
Energy: 0.978664434088091
Energy: 0.7076673916545639
Energy: 1.5236373468478086
Energy: 0.8691194546154165
Energy: 1.5236373468488886
Energy: 0.9296739517115971
Energy: 0.8833004921206994
Energy: 1.4194611428776966
Energy: 0.8833005520204099
Energy: 0.8706170685574931
Energy: 1.177312122193121
Energy: 0.9038457604034589
Energy: 1.1773121221779999
Energy: 0.9289070427606961
Energy: 1.032332335876802
Energy: 1.0612757508390323
Energy: 1.0323323357321712
Energy: 0.9626938492884669
Energy: 1.3729237893203254
Energy: 0.9122623049026752
Energy: 1.3729237893192454
Energy: 0.9307857177165332
Energy: 0.874794797778695
Energy: 0.8484666884044109
Energy: 0.8747947977797751

minimum gb energy = 0.7076673916545639 eV
minimum distance =  2.28057724026998 Angstroms
sigma value = 17


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

Energy: 0.8011652994731407
Energy: 0.7082907605148003
Energy: 1.4514374573300415
Energy: 0.708290738165293
Energy: 1.1954285553170998
Energy: 0.9653195913858467
Energy: 0.8459576342179046
Energy: 0.9653198404869975
Energy: 0.8702994267632791
Energy: 0.8268786820535894
Energy: 1.2273529245611001
Energy: 0.830584190789202
Energy: 0.9023032472316473
Energy: 1.1805457729370292
Energy: 0.8977547939197649
Energy: 1.1805457729363613
Energy: 0.9647152723307826
Energy: 0.9600395645226784
Energy: 1.1027233028687795
Energy: 0.9600395645126649
Energy: 0.9332365778766202
Energy: 1.1605028137452404
Energy: 0.8635220245072823
Energy: 1.1605028137372295
Energy: 0.8111776172184193
Energy: 1.1116183068805692
Energy: 0.8561708469000363
Energy: 1.111618306914615
Energy: 0.8777318253890048
Energy: 1.0532954278315707
Energy: 0.8620331444403365
Energy: 1.0532954323763608
Energy: 0.8919455581813192
Energy: 1.063562832925653
Energy: 0.8930673813334655
Energy: 1.0635624123488523
Energy: 0.8857012614737129
Energy: 1.0446781270223993
Energy: 0.8699213900240472
Energy: 1.044678095616629
Energy: 0.8700226423559058
Energy: 1.2740740725895596
Energy: 0.8726793334041426
Energy: 1.2740740725915622
Energy: 0.8483955697888405
Energy: 0.8709111973684017
Energy: 0.8835571110702626
Energy: 0.8709111901145069
Energy: 0.9337558363853308
Energy: 1.2182382943457741
Energy: 0.9007160692807784
Energy: 1.2182382943497798
Energy: 0.9360127281265908
Energy: 0.8273141679903151
Energy: 0.7723532112149349
Energy: 0.8273205706798196
Energy: 0.8687659033164999
Energy: 1.274099943374601
Energy: 0.7887471458690439
Energy: 1.27409994347067
Energy: 0.8460265561057302
Energy: 0.845008098172682
Energy: 1.1517049801946633
Energy: 0.845496296576877
Energy: 0.8305838948650232
Energy: 1.1552939743094854
Energy: 0.9074735313293634
Energy: 1.1552939742901263
Energy: 0.890984336630657
Energy: 0.8767476826059742
Energy: 0.9272977204390819
Energy: 0.8767476820628181
Energy: 0.825054390083911
Energy: 1.232580558367594
Energy: 0.8747157430007647
Energy: 1.232580558266852
Energy: 0.855518233460187
Energy: 0.9753919643958175
Energy: 1.148879894777617
Energy: 0.9753919643944824
Energy: 1.23510637046443
Energy: 1.050778486973966
Energy: 0.848762113832847
Energy: 1.050778486969293
Energy: 0.8488333321995843
Energy: 1.0193016512079331
Energy: 1.245209927545038
Energy: 1.0193015815383035
Energy: 1.09327233433272
Energy: 0.9606778090071405
Energy: 0.8388295199491022
Energy: 0.9606645580727661
Energy: 0.8149701377050492
Energy: 1.0777880347043385
Energy: 0.954039384166549
Energy: 1.0777880347870559
Energy: 0.9564821814046364
Energy: 0.7458036049163566
Energy: 0.8887409126591446
Energy: 0.7559343390840388
Energy: 0.8953017973825507
Energy: 0.7286969199071454
Energy: 0.8824362856521468
Energy: 0.7357081731742063
Energy: 1.0346257360154885
Energy: 1.1627576544819742
Energy: 0.8537737949182542
Energy: 1.1627576544893172
Energy: 0.7992788952922377
Energy: 1.3680760195207775
Energy: 0.9178271458391042
Energy: 1.3680760195194424
Energy: 0.8071398102833758
Energy: 0.8487896958299164
Energy: 0.9130704122439359
Energy: 0.8487896968048056
Energy: 0.8515711589561431
Energy: 1.1935166278419655
Energy: 0.9071088361142624
Energy: 1.1935166278379605
Energy: 0.87969050000091
Energy: 0.8405241872317225
Energy: 0.8405630553784476
Energy: 0.8405241873090995
Energy: 0.9097057287626911
Energy: 1.2679507153933276
Energy: 0.8577120214986026
Energy: 1.26795071533264
Energy: 0.8522742512715858
Energy: 1.0659182030975571
Energy: 0.9918969491064419
Energy: 1.0659182030128371
Energy: 0.9271100682879876
Energy: 0.9904930291298301
Energy: 0.8143652160656466
Energy: 0.9904930312744167
Energy: 0.9067320671661445
Energy: 0.7922564077147622
Energy: 0.822658210473065
Energy: 0.7922564146383335
Energy: 0.8644891418419056
Energy: 1.02215851421823
Energy: 0.7849074752880972
Energy: 1.0221585104561912
Energy: 0.8395785106507512
Energy: 1.1895186560356974
Energy: 0.9444060927953777
Energy: 1.1895186552456634
Energy: 1.1587185416031376
Energy: 1.0239000044074702
Energy: 0.8814258591040551
Energy: 1.0239000046663644

minimum gb energy = 0.708290738165293 eV
minimum distance =  2.25747677779896 Angstroms
sigma value = 89


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

Energy: 0.8252548172559729
Energy: 0.8958473885348652
Energy: 1.6923431307326886
Energy: 0.8958473885331185
Energy: 0.7489587783340892
Energy: 0.6555665207999268
Energy: 0.8154694515634763
Energy: 0.6555665208191405
Energy: 0.7958734468215147
Energy: 0.7459357167923688
Energy: 1.7000094178558722
Energy: 0.7459357167923688
Energy: 0.8300315735557683
Energy: 0.8378362618472784
Energy: 0.7875430575961113
Energy: 0.8378362618472784
Energy: 0.7986395140783957
Energy: 0.8840771476394792
Energy: 1.5977994812046326
Energy: 0.8840771476953337
Energy: 0.7491920865058768
Energy: 0.8452204800788192
Energy: 0.8183481009663669
Energy: 0.8452204799985107
Energy: 0.822513890899962
Energy: 0.7357575728706451
Energy: 0.7408594022611537
Energy: 0.7357575728706451
Energy: 0.9132347034437331
Energy: 0.663117787824517
Energy: 0.774761271506829
Energy: 0.6594575354056295
Energy: 0.7957375993974265
Energy: 0.8885883303101914
Energy: 0.8152872253159191
Energy: 0.8885883302770041
Energy: 0.714969047870614
Energy: 1.0652982309413284
Energy: 0.8361016787776202
Energy: 1.0671162428887595
Energy: 0.7987997299988046
Energy: 0.744695726408636
Energy: 0.7840066086990811
Energy: 0.7446957243065255
Energy: 0.7576916943154636
Energy: 0.7409104798611573
Energy: 0.8031687387287557
Energy: 0.7409104798576639
Energy: 0.7919124203884933
Energy: 0.8089976704520002
Energy: 0.8075741224455051
Energy: 0.8090250760559574
Energy: 0.7958130337033064
Energy: 0.9029168208978279
Energy: 0.7662696942335117
Energy: 0.9029168208943346
Energy: 0.8616671754524371
Energy: 0.8561184875792194
Energy: 0.7925493358445396
Energy: 0.8561184875827128

minimum gb energy = 0.6555665207999268 eV
minimum distance =  2.31020168700259 Angstroms
sigma value = 13


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

Energy: 0.5370336580942764
Energy: 1.0506865280392739
Energy: 1.2686018494226516
Energy: 1.0506865280378097
Energy: 1.111993015987756
Energy: 0.9534085865662184
Energy: 0.697938044583854
Energy: 0.9534088263171332
Energy: 0.6424854577139892
Energy: 1.1092398555351883
Energy: 1.3953069374098455
Energy: 1.1092398555359204
Energy: 0.8305116363688502
Energy: 0.9719011217412408
Energy: 0.7001127010870156
Energy: 0.971901121750026
Energy: 0.6371977995372827
Energy: 1.0850770619141794
Energy: 1.0330031116534026
Energy: 1.0850709808685246
Energy: 0.9350077982210737
Energy: 0.7415430975244429
Energy: 0.6105140575122904
Energy: 0.7415429995770978
Energy: 0.6415323619214837
Energy: 1.187313544740649
Energy: 0.9738839198934883
Energy: 1.1873135448870036
Energy: 0.7413458412765882
Energy: 0.9804602738814462
Energy: 0.6365998546418858
Energy: 0.9804596545664414
Energy: 0.6411827949330527
Energy: 1.0352594665881578
Energy: 0.834419472372498
Energy: 1.0352594665932824
Energy: 0.9498556570089157
Energy: 1.1420790112077566
Energy: 0.7050047307952934
Energy: 1.1420790112092207
Energy: 0.6372240931910144
Energy: 0.7770412168057055
Energy: 0.7050439236760772
Energy: 0.7770412167625111
Energy: 0.9701919868384862
Energy: 1.0452702751343081
Energy: 0.6790936597408094
Energy: 1.0452703136720551
Energy: 0.5420134278293863
Energy: 0.9644307611174003
Energy: 0.7200904468202579
Energy: 0.9644307641425919
Energy: 1.01601700225458
Energy: 0.7803707281313921
Energy: 0.7026496510391025
Energy: 0.7803707286041324
Energy: 0.6317809706122781
Energy: 1.0501777279213598
Energy: 0.7068849144301945
Energy: 1.0501777251940019
Energy: 0.6974350026970983
Energy: 0.7798769624930527
Energy: 0.6811177245114973
Energy: 0.7798769625040343
Energy: 0.6929100567338293
Energy: 1.174949780989184
Energy: 0.6856684545446026
Energy: 1.1749497809899163
Energy: 0.6994869577967856
Energy: 1.0265133230618317
Energy: 0.6210954347799982
Energy: 1.026513323023762
Energy: 0.6820759864254485
Energy: 1.1269682169694408
Energy: 0.6199683684776057
Energy: 1.1269682753545578
Energy: 0.7095773887611576
Energy: 1.1622280680831127
Energy: 0.6355174863806671
Energy: 1.1622280680897017
Energy: 0.6774835533769585
Energy: 1.033576429175296
Energy: 0.6171584448767824
Energy: 1.0335764291782246
Energy: 0.6939753174505547
Energy: 0.848367594267901
Energy: 0.6829928049280897
Energy: 0.8483675932470802
Energy: 0.6970176404978408
Energy: 0.7630252526080123
Energy: 0.6729065219940329
Energy: 0.7630252524960668
Energy: 0.6420274013723423
Energy: 1.0402485624490736
Energy: 0.7119886959420284
Energy: 1.0402485624395563
Energy: 1.0152847763688262
Energy: 0.7507408742673182
Energy: 0.6861817649465626
Energy: 0.7507408745556344
Energy: 0.5666127691714234
Energy: 1.013567982019225
Energy: 0.7576816870022514
Energy: 1.0135679820463128
Energy: 0.9717280347436611
Energy: 1.1040621131143573
Energy: 0.6835095163665609
Energy: 1.1040621131114288
Energy: 0.640432056299182
Energy: 0.7658062858664441
Energy: 0.7415447217341175
Energy: 0.7658062855847166
Energy: 0.9554988256142952
Energy: 0.8068297885821508
Energy: 0.7044598834372382
Energy: 0.8068297884555633
Energy: 0.6398119299596633
Energy: 1.0271875106982389
Energy: 1.057726866921497
Energy: 1.0271875106272248
Energy: 0.7693101634762461
Energy: 0.9305674166704789
Energy: 0.6207351010659197
Energy: 0.9305674182372504
Energy: 0.6470297273539194
Energy: 1.0529219341987177
Energy: 1.1841035499261774
Energy: 1.0529219355949753
Energy: 0.712808972219064
Energy: 0.7878257821800062
Energy: 0.6245875514168205
Energy: 0.7878257822092903
Energy: 0.6365130496447989
Energy: 1.1084636651700663
Energy: 1.078333143274866
Energy: 1.1084636651678699
Energy: 0.9826886376072431
Energy: 0.9268062791799723
Energy: 0.6982771149268702
Energy: 0.9268062792231664

minimum gb energy = 0.5370336580942764 eV
minimum distance =  2.16205696382967 Angstroms
sigma value = 37


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

Energy: 0.45727966591398533
Energy: 0.4594027795878038
Energy: 1.4916258727435754
Energy: 0.4594027795890634
Energy: 1.0916417891432717
Energy: 0.7951329802182626
Energy: 0.6024475915905433
Energy: 0.7951329808414879
Energy: 0.5362813799096872
Energy: 0.8289337510838687
Energy: 1.5317360485838574
Energy: 0.8289300936174101
Energy: 0.5816078986417147
Energy: 0.8136063050386952
Energy: 0.6014252217074809
Energy: 0.8136063050399548
Energy: 0.5901879137911181
Energy: 0.7976703969687593
Energy: 0.5703597009984249
Energy: 0.7976700192882828
Energy: 0.6605926266034988
Energy: 0.7635562003734193
Energy: 0.6190391983155012
Energy: 0.7635562003759383
Energy: 0.4700337691241765
Energy: 1.1343350216263062
Energy: 0.8106494500014471
Energy: 1.1343350216162584
Energy: 0.5953017202143087
Energy: 0.4436291615723271
Energy: 0.45632787091442434
Energy: 0.44362916157358667
Energy: 0.5969470862596516
Energy: 0.8146614394052094
Energy: 0.8727580508498785
Energy: 0.8146614394152859
Energy: 1.119879326887142
Energy: 1.0787669852865795
Energy: 0.618902730211829
Energy: 1.0787669908287063
Energy: 0.49518871865752356
Energy: 1.0797566963794971
Energy: 0.5642460689444706
Energy: 1.0797566963694205
Energy: 0.9102732796180332
Energy: 0.8412002063041084
Energy: 0.6023430531928299
Energy: 0.8412002061996221
Energy: 0.6253398705573681
Energy: 0.7736218603789482
Energy: 0.646264793859665
Energy: 0.7736218604104085
Energy: 0.8055617903339682
Energy: 1.1218905334134563
Energy: 0.618642895780409
Energy: 1.121890533324056
Energy: 0.463721840414482
Energy: 0.4851640038074759
Energy: 0.5858565139058216
Energy: 0.4851640036035128
Energy: 0.46372867397797857
Energy: 0.796967841019562
Energy: 0.6024067900345504
Energy: 0.79696784096792
Energy: 0.6039489573082031
Energy: 0.8909130404785207
Energy: 0.7151240466547889
Energy: 0.8909130404760016
Energy: 0.5337490192144261
Energy: 1.0560223275916003
Energy: 0.6083154364403645
Energy: 1.0560223275916003
Energy: 0.5919455250969273
Energy: 0.47269995319666824
Energy: 0.5902481387398012
Energy: 0.47269999172842225
Energy: 0.5854098385890436
Energy: 0.7892587630126543
Energy: 0.596585245582011
Energy: 0.7892587629333304

minimum gb energy = 0.4436291615723271 eV
minimum distance =  2.23620433901301 Angstroms
sigma value = 25


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

Energy: 0.20260488774910554
Energy: 0.9784130027910131
Energy: 1.387714295056183
Energy: 0.9784130027870788
Energy: 1.1543896030352672
Energy: 0.7870650049811938
Energy: 0.36410669326025064
Energy: 0.7870650059102482
Energy: 0.3127638656999127
Energy: 0.29198830693771716
Energy: 1.403408873211614
Energy: 0.29198830761212097
Energy: 0.6646668821722312
Energy: 0.5436360990849699
Energy: 0.32089926198839297
Energy: 0.5436362310574104
Energy: 0.3078470835023514
Energy: 0.8664181116620977
Energy: 0.4771210860388958
Energy: 0.8664181115058023
Energy: 0.47065198473760594
Energy: 0.8234776637953798
Energy: 0.30956204666452347
Energy: 0.8234776637924293
Energy: 0.32812201594042756
Energy: 0.5520591440733469
Energy: 0.7526402671748207
Energy: 0.5520591510485195
Energy: 0.5873086941918902
Energy: 0.5416072538728655
Energy: 0.3291613612699672
Energy: 0.5416072538728655
Energy: 0.3255220960509704
Energy: 0.2527357896356562
Energy: 0.9313445335749723
Energy: 0.24470359650534237
Energy: 0.49092092068470283
Energy: 0.9393357141150233
Energy: 0.2242654748310313
Energy: 0.939335714097364
Energy: 0.33048541554540023
Energy: 0.6109454141351263
Energy: 0.8588656689678426
Energy: 0.6109454139512914
Energy: 0.9098898792611393
Energy: 0.81502989397487
Energy: 0.31357755696940903
Energy: 0.8150298949098258
Energy: 0.312664308631773
Energy: 0.33482158579898114
Energy: 0.7388512910310953
Energy: 0.3348217388395996
Energy: 0.7996464162257062
Energy: 0.975252459537635
Energy: 0.3265395591400844
Energy: 0.9752524595366513
Energy: 0.32394858037483304
Energy: 0.6233077004823222
Energy: 0.48971032295415046
Energy: 0.6233077079490922
Energy: 0.7342591201776938
Energy: 0.8224126976568116
Energy: 0.33637447197048176
Energy: 0.8224126976597623
Energy: 0.3195687540349514
Energy: 0.2572962804023469
Energy: 0.5403405885014143
Energy: 0.25729626201908745
Energy: 0.5212968981614751
Energy: 0.874866365495976
Energy: 0.2997239467488673
Energy: 0.8748663654910582
Energy: 0.22824856101564253
Energy: 0.9567816647323065
Energy: 0.4926070080221752
Energy: 0.956781664731323
Energy: 0.8675972449856384
Energy: 0.8337763384619432
Energy: 0.33257511168523524
Energy: 0.8337763388384649
Energy: 0.3074494088171335
Energy: 0.821695461807836
Energy: 0.5462835588364037
Energy: 0.8216954617960779
Energy: 0.34938889758022573
Energy: 0.5345983460772242
Energy: 0.30790057681180344
Energy: 0.5345984613071938
Energy: 0.3300674597147696
Energy: 0.6489183287793341
Energy: 0.7793306681999483
Energy: 0.6489182919803134
Energy: 0.48372306331901854
Energy: 0.7527890444384843
Energy: 0.31981817970133003
Energy: 0.7527890440147521
Energy: 0.34663315655564464
Energy: 0.8492730508223725
Energy: 0.7450222334825224
Energy: 0.8492730510012895
Energy: 0.48340295187113497
Energy: 0.5006932267563178
Energy: 0.32550805988185655
Energy: 0.5006932292190428

minimum gb energy = 0.20260488774910554 eV
minimum distance =  2.24187773066863 Angstroms
sigma value = 41


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

Energy: 0.7786491968921314
Energy: 0.702354440685057
Energy: 1.2018783524825807
Energy: 0.7023544406963459
Energy: 1.159302588418032
Energy: 0.783744589043807
Energy: 0.31059199080445826
Energy: 0.7837445890615465
Energy: 0.0851822084086678
Energy: 0.8023594145349416
Energy: 1.1274870427668726
Energy: 0.8023594145357481
Energy: 0.7526182194215189
Energy: 0.7821896180527181
Energy: 0.3126467275186498
Energy: 0.7821896180543308
Energy: 0.29790283819734303
Energy: 0.554033141038813
Energy: 0.3940742448756862
Energy: 0.5540323195976811
Energy: 0.603343169742457
Energy: 0.7590637920559814
Energy: 0.3121078649148124
Energy: 0.7590637920334402
Energy: 0.3098096074546148
Energy: 0.7248462099940759
Energy: 0.35745837685578363
Energy: 0.724846205586925
Energy: 0.4213247771309151
Energy: 0.06636510561434934
Energy: 0.3144210817533384
Energy: 0.06635015992020869
Energy: 0.3061528110958347
Energy: 0.696768073598918
Energy: 0.8344905301425076
Energy: 0.6967680735239641
Energy: 0.6977076030822185
Energy: 0.8238480464217479
Energy: 0.14136913552635072
Energy: 0.8238480464201352
Energy: 0.3156841686864666
Energy: 0.7739303657513038
Energy: 0.8958780775487555
Energy: 0.7739303655224099
Energy: 0.3834929301065197
Energy: 0.7180509224986604
Energy: 0.7634364425043221
Energy: 0.7180509226018368
Energy: 0.3174709672242162
Energy: 0.7724137336194712
Energy: 0.9574099190536663
Energy: 0.7724137349042456
Energy: 0.7588869208710808
Energy: 0.7735330948194956
Energy: 0.12878867091915575
Energy: 0.7735330948130449
Energy: 0.29993622841618367
Energy: 0.5696217313851377
Energy: 0.7861924950712467
Energy: 0.5696217313577219
Energy: 0.66582993593658
Energy: 0.7022214772062804
Energy: 0.3149332913515128
Energy: 0.7022214913909557
Energy: 0.31673597697734357
Energy: 0.7528843798851909
Energy: 0.5957065683481935
Energy: 0.7528843798997052
Energy: 0.6438361870523069
Energy: 0.7762009401510978
Energy: 0.3164873337309448
Energy: 0.77620126514054
Energy: 0.3150836417126123
Energy: 0.08874599950642625
Energy: 0.4212677709953768
Energy: 0.08874941292826723
Energy: 0.5137355857494189
Energy: 0.7385216159835826
Energy: 0.3177944170760063
Energy: 0.7385216159795508
Energy: 0.08859853715049024
Energy: 0.7762451459407679
Energy: 0.44513811741619075
Energy: 0.7762451468467036
Energy: 0.8967005030638098
Energy: 0.7118959356659013
Energy: 0.30924514779246065
Energy: 0.7118959388431093
Energy: 0.7488361486022804
Energy: 0.711568533711294
Energy: 0.39693934953613796
Energy: 0.7115685337322593
Energy: 0.6261155542231589
Energy: 0.7697261720440923
Energy: 0.3271316511078205
Energy: 0.7697261707093608
Energy: 0.12376788884339257
Energy: 0.7450541611129428
Energy: 0.49261360234799156
Energy: 0.7450541636703597
Energy: 0.8150943958794064
Energy: 0.7550843978765859
Energy: 0.31700854279352986
Energy: 0.7550844524971487
Energy: 0.31126092269587363
Energy: 0.6864354422702057
Energy: 0.6661999141723726
Energy: 0.6864354421211039
Energy: 0.3332888695560346
Energy: 0.7479810742251516
Energy: 0.3203364253304736
Energy: 0.747981074396831
Energy: 0.31189007522111306
Energy: 0.8135797397051155
Energy: 0.6455636249218868
Energy: 0.813579739572104
Energy: 0.4058828485552356
Energy: 0.6778015151511564
Energy: 0.3120339373057587
Energy: 0.677801514886783
Energy: 0.3300640245823858
Energy: 0.6886228202245996
Energy: 0.49641777146796917
Energy: 0.6886228202366582
Energy: 0.40150504190478586
Energy: 0.7449452343366638
Energy: 0.13830342483140987
Energy: 0.7449451974681119

minimum gb energy = 0.06635015992020869 eV
minimum distance =  2.22443786389934 Angstroms
sigma value = 15


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

Energy: 0.5695876258288471
Energy: 0.7187413570906455
Energy: 0.5158079183480866
Energy: 0.718741357049722
Energy: 1.075874677077744
Energy: 0.7371481260550741
Energy: 0.15192301935069547
Energy: 0.7371481260550741
Energy: 0.04445232068393605
Energy: 0.5815449995596189
Energy: 1.1162385346843906
Energy: 0.5815449992974354
Energy: 0.7743507911172396
Energy: 0.6794164953136401
Energy: 0.1564512673918365
Energy: 0.6794164953150065
Energy: 0.15854108606548173
Energy: 0.7614170761617703
Energy: 0.7765968027925351
Energy: 0.7614170761590379
Energy: 0.6514993447943549
Energy: 0.6550980105579751
Energy: 0.14508039065501596
Energy: 0.6550980095399181
Energy: 0.15665679161717222
Energy: 0.5061617656355879
Energy: 0.2688985235042881
Energy: 0.5061617783866988
Energy: 0.5124176641314755
Energy: 0.5733192564358144
Energy: 0.159691912064927
Energy: 0.5733192560247786
Energy: 0.12505187715834756
Energy: 0.6974019447697972
Energy: 0.4704431255034045
Energy: 0.69740194440043
Energy: 0.3274940133955248
Energy: 0.6656586269598156
Energy: 0.15788884312745047
Energy: 0.6656586269229905
Energy: 0.1529364925632382
Energy: 0.674238864311183
Energy: 0.840218976517809
Energy: 0.6742388642839213
Energy: 0.5768271095180717
Energy: 0.5559321380996527
Energy: 0.05722601451891174
Energy: 0.555932142855284
Energy: 0.1694283764709883
Energy: 0.7083773896015388
Energy: 0.9361226996950781
Energy: 0.7083773894806935
Energy: 0.3538473117580499
Energy: 0.7630857588923676
Energy: 0.5323332248479556
Energy: 0.7630857590248254
Energy: 0.1513169430299616
Energy: 0.6709443170828598
Energy: 0.899219879702534
Energy: 0.6709443171354578
Energy: 0.6440052303736502
Energy: 0.5819284679686011
Energy: 0.07698629861691901
Energy: 0.5819284694209188
Energy: 0.1821087703988226
Energy: 0.7117148470433802
Energy: 0.7977462495025717
Energy: 0.7117148470426969
Energy: 0.5634737066664381
Energy: 0.7499505159808285
Energy: 0.1563667412139772
Energy: 0.7499505159815115
Energy: 0.18905970372585681
Energy: 0.6732612182617872
Energy: 0.6510694125361136
Energy: 0.6732612182597381
Energy: 0.5397883084058991
Energy: 0.615123235688746
Energy: 0.1549343605010866
Energy: 0.6151232372441489
Energy: 0.16144725085470518
Energy: 0.6259124692267163
Energy: 0.511444622079942
Energy: 0.6259124692246669
Energy: 0.4543364243135977
Energy: 0.6238767748771183
Energy: 0.15701628226499806
Energy: 0.6238767755564855
Energy: 0.14892737935361022
Energy: 0.6623388497052975
Energy: 0.33482249352756516
Energy: 0.6623388497052975
Energy: 0.8549234326508566
Energy: 0.6196119369762233
Energy: 0.15615849028293713
Energy: 0.6196119369788936
Energy: 0.04353316485873181
Energy: 0.6783604246361232
Energy: 0.381465150187057
Energy: 0.6783604246060672
Energy: 0.6843916027127249
Energy: 0.7162492374124276
Energy: 0.177895419991873
Energy: 0.7162492374131108
Energy: 0.4976806546053959
Energy: 0.7276875517490624
Energy: 0.3463046881956614
Energy: 0.7276875517149077
Energy: 0.8869565438632065
Energy: 0.6714372284619834
Energy: 0.15039207644091526
Energy: 0.6714372284770115
Energy: 0.027054180872763702
Energy: 0.6481910588447887
Energy: 0.3726874616499059
Energy: 0.6481910588475209
Energy: 0.5843545348866093
Energy: 0.7252394209118164
Energy: 0.16504010103243322
Energy: 0.7252394209138656
Energy: 0.1576872228746482
Energy: 0.7378945301322335
Energy: 0.5555874254460452
Energy: 0.7378945301295011
Energy: 0.645617857907717
Energy: 0.6654670896063967
Energy: 0.19230418160298318
Energy: 0.6654673119233623
Energy: 0.13615281682851393
Energy: 0.6016436425513862
Energy: 0.5433628902406198
Energy: 0.6016436425548017
Energy: 0.2653301813995194
Energy: 0.6460496305296117
Energy: 0.16754252313383272
Energy: 0.6460496305289285
Energy: 0.23135343143038054
Energy: 0.7096872615557253
Energy: 0.4533787043066386
Energy: 0.7096872615509435
Energy: 0.3494257427412268
Energy: 0.6693590901664167
Energy: 0.16182410285296467
Energy: 0.669359090346691
Energy: 0.15631802108125836
Energy: 0.6095008882627669
Energy: 0.822105426488699
Energy: 0.609500888284626

minimum gb energy = 0.027054180872763702 eV
minimum distance =  2.26383208198488 Angstroms
sigma value = 85


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

Energy: 0.44855404126731846
Energy: 0.5799125709921443
Energy: 0.6089959968219569
Energy: 0.5799122831423938
Energy: 1.0184789664140423
Energy: 0.5100477111317299
Energy: 0.11502803727651541
Energy: 0.5100477098028695
Energy: 0.4627112326512216
Energy: 0.467441106496079
Energy: 0.5318204956897329
Energy: 0.46744110681702417
Energy: 0.7084324667391633
Energy: 0.5289117751390819
Energy: 0.09913535217995129
Energy: 0.528911777637515
Energy: 0.09742297176169627
Energy: 0.4870738500789284
Energy: 0.24057769230834927
Energy: 0.4870738501493759
Energy: 0.5810727939453438
Energy: 0.5477479861872677
Energy: 0.09097730841989668
Energy: 0.547747986258927
Energy: 0.10845469502570183
Energy: 0.44286405232390835
Energy: 0.18788923353305706
Energy: 0.4428640893159171
Energy: 0.4747784798283151
Energy: 0.5380387557419188
Energy: 0.118240799537922
Energy: 0.5380387549318274
Energy: 0.09055390782558798
Energy: 0.46314955097630983
Energy: 0.3126402441159374
Energy: 0.46314955095145394
Energy: 0.39882474180215094
Energy: 0.5211990053416912
Energy: 0.09870162336007003
Energy: 0.5211990053162159
Energy: 0.10393351870809445
Energy: 0.5629387492656964
Energy: 0.6418739668721777
Energy: 0.5629387491869278
Energy: 0.23534757115352556
Energy: 0.5383047124514296
Energy: 0.10214317066911363
Energy: 0.5383047123673559
Energy: 0.10565747133440889
Energy: 0.4566145023590327
Energy: 0.7295959707153398
Energy: 0.4566145023614025
Energy: 0.31569824810238245
Energy: 0.5069827703746667
Energy: 0.4618778666381792
Energy: 0.5069827702817062
Energy: 0.10553653881310605
Energy: 0.5275683330865132
Energy: 0.8257678081777573
Energy: 0.5275683330859207
Energy: 0.23226826409801096
Energy: 0.5942409592348376
Energy: 0.45707051006541694
Energy: 0.5942409592508335
Energy: 0.10848700057525734
Energy: 0.3186858353943566
Energy: 0.7954117186033589
Energy: 0.31868583697963915
Energy: 0.5150743967545758
Energy: 0.49107204843555247
Energy: 0.4608090922878354
Energy: 0.49107204959860823
Energy: 0.09307422085926416
Energy: 0.533624830753377
Energy: 0.7002248481573435
Energy: 0.5336248309399172
Energy: 0.4171840712681329
Energy: 0.590089144031277
Energy: 0.08920815967777403
Energy: 0.590089144037794
Energy: 0.1147792911081149
Energy: 0.2742718519942461
Energy: 0.6092274552954455
Energy: 0.2743427628299709
Energy: 0.40791565884743236
Energy: 0.48655194077396596
Energy: 0.09359352124344353
Energy: 0.48655194086458353
Energy: 0.08368559676541867
Energy: 0.533567450967975
Energy: 0.5587134191843816
Energy: 0.5335674678321897
Energy: 0.3260332266753038
Energy: 0.5328701996951759
Energy: 0.10518807065519824
Energy: 0.5328702179753139
Energy: 0.09857288961180612
Energy: 0.08917184049359533
Energy: 0.3990415544326399
Energy: 0.0891380158225542
Energy: 0.6367359417878927
Energy: 0.4944850784807846
Energy: 0.10463975812498988
Energy: 0.4944850783712356
Energy: 0.09330626520059662
Energy: 0.536972724990039
Energy: 0.2158053449358013
Energy: 0.5369727376059452
Energy: 0.589141182840192
Energy: 0.5721058085832489
Energy: 0.0903531465244636
Energy: 0.5721058085003332
Energy: 0.40969674459547967
Energy: 0.27443135313959516
Energy: 0.2757101465926431
Energy: 0.2744302736927841
Energy: 0.8281615910862762
Energy: 0.5066513024268682
Energy: 0.1062587231603759
Energy: 0.5066513024286455
Energy: 0.41774380142923356
Energy: 0.5825358174456785
Energy: 0.18826820327695318
Energy: 0.5825358176274792
Energy: 0.6486150461737831
Energy: 0.5817744266541798
Energy: 0.11682115306926823
Energy: 0.5817744208768174
Energy: 0.4509923748594245
Energy: 0.294994523530281
Energy: 0.32247799938774013
Energy: 0.29499452110054486
Energy: 0.6835503846533824
Energy: 0.5250128861211231
Energy: 0.07646673626367914
Energy: 0.5250128805581461
Energy: 0.10131978359748176
Energy: 0.5779084853414111
Energy: 0.3927413299801905
Energy: 0.5779084808757281
Energy: 0.4422446392769303
Energy: 0.549971326109056
Energy: 0.10796195811191042
Energy: 0.549971318122833
Energy: 0.0724155629559307
Energy: 0.5078514730189424
Energy: 0.4029596869151783
Energy: 0.5078514729964294
Energy: 0.49861791256986326
Energy: 0.527478990889449
Energy: 0.12477841208245442
Energy: 0.5274793593959296
Energy: 0.10068503417942347
Energy: 0.6036232393925831
Energy: 0.33414720820520327
Energy: 0.6036232393937679
Energy: 0.1810062398690418
Energy: 0.53982817408181
Energy: 0.10353172583690246
Energy: 0.5398281740415505
Energy: 0.10298367691477386
Energy: 0.5085666666251898
Energy: 0.6559097434809352
Energy: 0.50856666659379
Energy: 0.2289469358757615
Energy: 0.5796535310153481
Energy: 0.09295197468159526
Energy: 0.5796535310301594
Energy: 0.09933026385580435
Energy: 0.5866652588516583
Energy: 0.5951885234056034
Energy: 0.5866652588516583

minimum gb energy = 0.0724155629559307 eV
minimum distance =  2.24216919651213 Angstroms
sigma value = 113


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

Energy: 0.019077717989366205
Energy: 0.05628899899100518
Energy: 0.09723348139568888
Energy: 0.056288998990549746
Energy: 0.09176331102857531
Energy: -0.7587015493625071
Energy: -0.6797938834537549
Energy: -0.7587014728554015
Energy: 0.01907771798891076
Energy: 0.05628899899100518
Energy: 0.09723348019428056
Energy: 0.05628899899100518
Energy: 0.09176331102857531
Energy: -0.7587014942485262
Energy: -0.6797938838748373
Energy: -0.7587011287052267
Energy: 0.019077717989366205
Energy: 0.05628899899146062
Energy: 0.0972334734488644
Energy: 0.05628899899146062
Energy: 0.09176331102857531
Energy: -0.7587013751902306
Energy: -0.6797938838365295
Energy: -0.7587014832606573

minimum gb energy = -0.7587015493625071 eV
minimum distance =  2.46111861116167 Angstroms
sigma value = 1