Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_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=3.611098542809487
cohesive_energy=4.242432871546096
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, 4.0233378980017797e-19, 4.40391893564214e-19, 4.7321889061823995e-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: 0.016398323815753478
Energy: 0.017139896280823103
Energy: 0.017298084852374603
Energy: 0.016626389740699448
Energy: 0.6522460900198012
Energy: 0.01676880841254881
Energy: 0.017139896280543743
Energy: 0.10665377975629921
Energy: 0.1064935680210608
Energy: 0.1063432868195436
Energy: 0.10652875866529321
Energy: 0.10741527867577866
Energy: 0.017298084852688897
Energy: 0.10649356802168938
Energy: 0.10732353911622314
Energy: 0.016948279781486976
Energy: 0.1064193136223576
Energy: 0.10709779129078498
Energy: 0.016626389740385165
Energy: 0.10634328681985789
Energy: 0.0169482797827092
Energy: 0.016694993440099223
Energy: 0.10649643216957257
Energy: 0.016819753187801177
Energy: 0.6522460900198012
Energy: 0.10652875866497892
Energy: 0.10641931362267189
Energy: 0.10649643216866463
Energy: 0.10626432495260676
Energy: 0.10635281139115961
Energy: 0.01676880841254881
Energy: 0.10741527867546438
Energy: 0.10709779129109927
Energy: 0.01681975318811546
Energy: 0.10635281138965803
Energy: 0.01689483627488111

minimum gb energy = 0.016398323815753478 eV
minimum distance =  2.54925404958642 Angstroms
sigma value = 1


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

Energy: 0.688006165144139
Energy: 0.40934691699398806
Energy: 0.4363854768219661
Energy: 0.6749616423025374
Energy: -0.4144096938701897
Energy: 0.4434233083356525
Energy: 1.4004141422324554
Energy: 0.585374228611898
Energy: 0.5866732694134453
Energy: 0.584544703751705
Energy: 0.46600817271082157
Energy: 0.5871134403197171
Energy: 1.3631385931752364
Energy: 0.5676947119807009
Energy: 0.5612882179902131
Energy: 0.67549043764584
Energy: 0.46360528593795586
Energy: 0.5862069710955792
Energy: 1.5103176948043933
Energy: 0.5856692854586035
Energy: 0.6568508013529617
Energy: 0.4593276432595181
Energy: 0.614684397204845
Energy: 0.6559547931807375
Energy: 0.6222389858929459
Energy: 0.5854314527875977
Energy: 0.5862362860774831
Energy: 0.5792777174267596
Energy: 0.5869784090737044
Energy: 0.5867250718206132
Energy: 1.2953026794476845
Energy: 0.6616317288989219
Energy: 0.6791132082513844
Energy: 0.676937164881045
Energy: 0.6714487822537397
Energy: 0.6762883463693503
Energy: 1.3360428397102204
Energy: 0.6777607465769734
Energy: 0.6773790128840762
Energy: 0.6775991034430365
Energy: 0.660300575615716
Energy: 0.6773058151874802
Energy: 1.3201572255492342
Energy: 0.6794497301991
Energy: 0.6752980165786244
Energy: 0.6693824959612918
Energy: 0.6799898155271893
Energy: 0.6789211685735261
Energy: 1.0327920268096125
Energy: 0.6790239176141549
Energy: 0.6797805854441716
Energy: 0.5859983071261676
Energy: 0.6773564967720564
Energy: 0.6758468455480041
Energy: 1.0309589536557615
Energy: 0.5868857239908523
Energy: 0.5866659602918602
Energy: -0.15850069601682493
Energy: 0.5803388694420973
Energy: 0.5867297334894245
Energy: 1.090666496860038
Energy: 0.6407629812019597
Energy: 0.6381841666199976
Energy: 0.6145584639700374
Energy: -0.43838162680003273
Energy: 0.6652229950947576
Energy: 0.8344573808872805
Energy: 0.5867042297813833
Energy: 0.5869677731945449
Energy: 0.4604282850201315
Energy: 0.6748245280809239
Energy: 0.5863196926103238
Energy: 0.8333944839706993
Energy: 0.5834765533640603
Energy: 0.5853039028573634
Energy: 0.4403058387789836
Energy: 0.5823446665279677
Energy: 0.5869578429377107
Energy: 0.9020846589718647
Energy: 0.5654586500943635
Energy: 0.6509038147062428
Energy: 0.5721196511486495
Energy: -0.3348978283915537
Energy: 0.6073409282197088
Energy: 0.8898720397804921
Energy: 0.5846016439532801
Energy: 0.5879683770124106
Energy: 0.45627168848423094
Energy: 0.583199762433635
Energy: 0.5867755388243212
Energy: 0.8904986036999296
Energy: 0.6793452086941182
Energy: 0.6770683085219129
Energy: 0.46911055002930635
Energy: 0.6783205029402011
Energy: 0.6527762668111913
Energy: 1.117457304186128
Energy: 0.659309177863649
Energy: 0.6569298282772437
Energy: 0.6603986015631031
Energy: 0.540652216352714
Energy: 0.651545987088471
Energy: 1.204263106816347
Energy: 0.6790592585389216
Energy: 0.6783361698753911
Energy: 0.6773243688028785
Energy: 0.6767811608150478
Energy: 0.6780931474559392
Energy: 1.1722168599065705
Energy: 0.679372379534654
Energy: 0.6771665812131583
Energy: 0.6773443508784199
Energy: 0.6798272269893719
Energy: 0.6768504287753924
Energy: -0.24489444571701255
Energy: 0.6793790319570365
Energy: 0.679216563993483
Energy: 0.6769448823843326
Energy: 0.6778403144618358
Energy: 0.6768975245031001
Energy: 0.46430823762489054
Energy: 0.6598131638893779
Energy: 0.6475709555722678
Energy: 0.38292459713038146
Energy: 0.6593376347242789
Energy: 0.6407546098105804
Energy: 1.2838373687600353
Energy: 0.6607731343760769
Energy: 0.24452786384596598
Energy: 0.6742553306475254
Energy: 0.5626188192324234
Energy: 0.6770778774728698
Energy: 1.400114357753012
Energy: 0.5858046338112527
Energy: 0.5866905951486902
Energy: 0.48563401084163865
Energy: 0.4660826350210063
Energy: 0.5874520002936633

minimum gb energy = -0.43838162680003273 eV
minimum distance =  2.38122877436643 Angstroms
sigma value = 33


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

Energy: 1.8428135369430845
Energy: 0.7850285038760831
Energy: 0.7809238373354417
Energy: 0.750792793233772
Energy: 0.7990865252178857
Energy: 0.7506272567905437
Energy: 1.4311115234859197
Energy: 0.7460820018259775
Energy: 0.7369069928898707
Energy: 0.738066568666209
Energy: 0.7464432686345441
Energy: 0.7363458498453402
Energy: 1.3373832933181207
Energy: 0.7469635187257297
Energy: 0.7382984186500791
Energy: 0.7344762974030163
Energy: 0.7442468527338462
Energy: 0.737715678033725
Energy: 1.3903532801241678
Energy: 0.759443742278517
Energy: 0.7585622701411082
Energy: 0.7289710536343676
Energy: 0.7605681559222635
Energy: 0.738740254067207
Energy: -0.054736067869117645
Energy: 0.73826614419162
Energy: 0.7359256406120231
Energy: 0.7382788886461094
Energy: 0.7465934786451851
Energy: 0.7343973879481186
Energy: 1.3868629617091177
Energy: 0.7477633784165789
Energy: 0.7435629960125516
Energy: 0.7422813273589721
Energy: 0.7476464401048624
Energy: 0.7428416882611549
Energy: 1.3867093323456834
Energy: 0.7453958122207152
Energy: 0.7445263311363322
Energy: 0.7424331585275415
Energy: 0.7444601306220935
Energy: 0.7439240139570465
Energy: 1.180920283335201
Energy: 0.7301968872110005
Energy: 0.7327552718056465
Energy: 0.7429518077851522
Energy: 0.7305293877491947
Energy: 0.7310209726464573
Energy: 1.004196788463251
Energy: 0.7325200061589213
Energy: 0.7406173557342973
Energy: 0.7500617220792622
Energy: 0.7337872025093536
Energy: 0.741052050896026
Energy: 1.0043339539902245
Energy: 0.7365152868986474
Energy: 0.7351194182770079
Energy: 0.7490050034577759
Energy: 0.7381631893682098
Energy: 0.7357219310614536
Energy: 0.9700974737723089
Energy: 0.7345428339420917
Energy: 0.733234090434571
Energy: 0.7488421205019391
Energy: 0.7318303227900376
Energy: 0.7349621373930482
Energy: 0.8356345017921064
Energy: 0.7310199359929758
Energy: 0.7375542445417529
Energy: 0.7455366576362548
Energy: 0.7311680232542307
Energy: 0.7371158127339389
Energy: 0.8355579330877332
Energy: 0.737222711096616
Energy: 0.7385783866601131
Energy: 0.7467808463157812
Energy: 0.7365609851187435
Energy: 0.7380154377430664
Energy: 1.0512317518277514
Energy: 0.7284238448872948
Energy: 0.7388722810991313
Energy: 0.7461063410365683
Energy: 0.7292824617815986
Energy: 0.7389288441265259
Energy: 1.004888215918619
Energy: 0.7362499438986756
Energy: 0.7346773175288227
Energy: 0.746317184577786
Energy: 0.7377485606131222
Energy: 0.7354183883070617
Energy: 1.004522231145599
Energy: 0.742323639577176
Energy: 0.7419112437160981
Energy: 0.7466373485888063
Energy: 0.7427163765030353
Energy: 0.7423087348532528
Energy: 1.3413561808503205
Energy: 0.7428932088113153
Energy: 0.7433674787362183
Energy: 0.7494490278851436
Energy: 0.7420833238324445
Energy: 0.7455281236117641
Energy: 1.1763679735692
Energy: 0.7451635220554468
Energy: 0.7448241083082817
Energy: 0.7305742668510014
Energy: 0.7440796663547984
Energy: 0.7299430330226738
Energy: 1.1804945939913452
Energy: 0.7475394785522902
Energy: 0.7433238320556319
Energy: 0.733541047061185
Energy: 0.7476826843917674
Energy: 0.7420594601004413
Energy: -0.4015685958077414
Energy: 0.7479519281243779
Energy: 0.7358881317138917
Energy: 0.738595049808494
Energy: 0.7488831481858457
Energy: 0.7345179625499262
Energy: 1.5950974350330556
Energy: 0.7486812586143377
Energy: 0.7399005753668728
Energy: 0.7336733397257742
Energy: 0.7484118718098997
Energy: 0.732172624703374
Energy: 1.4339038915461582
Energy: 0.7467512637319125
Energy: 0.7380572758895976
Energy: 0.7317735823467607
Energy: 0.7463411004813492
Energy: 0.7381536728877317
Energy: 1.3269127671856096
Energy: 0.74654437745674
Energy: 0.7373023596724697
Energy: 0.7371862706857939
Energy: 0.7459300048676135
Energy: 0.7367908177570591
Energy: 1.390106198982655
Energy: 0.7466591108923335
Energy: 0.7577223152414048
Energy: 0.730872537054311
Energy: 0.7547593124954769
Energy: 0.743561155617207
Energy: 0.7175857436650575
Energy: 0.7374490398975033
Energy: 0.7368015646139683
Energy: 0.7375939420803713
Energy: 0.7466378191244738
Energy: 0.7357759167198286
Energy: 1.3882250151825786
Energy: 0.7459630701550676
Energy: 0.7416411962251163
Energy: 0.7424724055404077
Energy: 0.7470363950328464
Energy: 0.7404050512648449
Energy: 1.3885817674148893
Energy: 0.7485321166454405
Energy: 0.7439007481702695
Energy: 0.7483184139434974
Energy: 0.7491732871188447
Energy: 0.7435881356532694
Energy: 1.284607786773466
Energy: 0.7313972168310627
Energy: 0.7308414988398979
Energy: 0.7442380599044034
Energy: 0.7324048546315275
Energy: 0.7432384636734874
Energy: 1.0060478236772417
Energy: 0.7308002144013829
Energy: 0.7308294985556493
Energy: 0.747913957404727
Energy: 0.7311210001388506
Energy: 0.7435693024601255
Energy: 1.0057598873132054
Energy: 0.7352669963250555
Energy: 0.7340983297150913
Energy: 0.7988065259180519
Energy: 0.737328465188588
Energy: 0.7343043405493019
Energy: 1.1296396391975798
Energy: 0.7316849062415991
Energy: 0.731801703026454
Energy: 0.747276593108532
Energy: 0.7321491442116255
Energy: 0.7319040879646559
Energy: 0.8330139428472497
Energy: 0.7310179866284158
Energy: 0.7311787160259566
Energy: 0.7460171436069967
Energy: 0.7313190268066124
Energy: 0.736875430917494
Energy: 0.8375418198679628
Energy: 0.7368082205142882
Energy: 0.735630431285847
Energy: 0.7465667164000745
Energy: 0.7371268327935867
Energy: 0.7360579604497635
Energy: 0.8343772568410676
Energy: 0.729130081019119
Energy: 0.7290053981566682
Energy: 0.744921633305339
Energy: 0.7303438952590646
Energy: 0.7287851459139139
Energy: 0.9928478134614604
Energy: 0.7385178003440152
Energy: 0.7377019802834879
Energy: 0.7464779645326413
Energy: 0.7370532475123742
Energy: 0.7371122445809662
Energy: 1.0036074817896146
Energy: 0.7418241287768698
Energy: 0.7399635016650806
Energy: 0.746968858152108
Energy: 0.7425687445070341
Energy: 0.7399123271645872
Energy: 1.2430252582242487
Energy: 0.7470914251272709
Energy: 0.7452793721391169
Energy: 0.7696539325595323
Energy: 0.7486013355750575
Energy: 0.7435555252340112
Energy: 1.1816104879236558
Energy: 0.7436914167723089
Energy: 0.7425621926831992
Energy: 0.7343795685778659
Energy: 0.7456793451346152
Energy: 0.7414480949414529
Energy: 1.175891251039179
Energy: 0.749630260924359
Energy: 0.744993455823484
Energy: 0.7304282759054477
Energy: 0.7479637777649649
Energy: 0.730494562681536
Energy: 1.3221802496902648
Energy: 0.7485296982209383
Energy: 0.7353120932187529
Energy: 0.7384088710621174
Energy: 0.7978957270894347
Energy: 0.7337739299237488
Energy: 1.6011921778429734
Energy: 0.7360176624815494
Energy: 0.7325141393082296
Energy: 0.7322792750901371
Energy: 0.7468032765933305
Energy: 0.7316009500492909

minimum gb energy = -0.4015685958077414 eV
minimum distance =  2.37930547708513 Angstroms
sigma value = 51


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

Energy: 1.7109634462024024
Energy: 0.5691297401763327
Energy: 0.563058166878753
Energy: 0.6861581482858322
Energy: 0.5774182586987621
Energy: 0.8289698224350807
Energy: 1.3368446980280144
Energy: 0.5759845683885716
Energy: 0.5834133020779126
Energy: 0.5776278447352312
Energy: 0.5742640213609059
Energy: 0.6585149988499738
Energy: 1.4091781046444447
Energy: 0.5747063267918465
Energy: 0.5760860999308832
Energy: 0.682675029614178
Energy: 0.5736386584486631
Energy: 0.6848707507119024
Energy: 1.4089970383498003
Energy: 0.16771641249892408
Energy: 0.20574112149396154
Energy: 0.671086953576477
Energy: 0.3471214172938709
Energy: 0.6479498558622181
Energy: 1.2018171792952745
Energy: 0.6843328295977004
Energy: 0.5749475309775951
Energy: 0.5992960667588025
Energy: 0.6841799567815046
Energy: 0.5755377187362241
Energy: 1.161712038816254
Energy: 0.5716406068166863
Energy: 0.575450222133376
Energy: 0.5758740828028194
Energy: 0.6125147144360709
Energy: 0.5746314747581805
Energy: 1.1618123751449432
Energy: 0.5711966194638237
Energy: 0.5687489856831273
Energy: 0.6131836629844736
Energy: 0.571456289648176
Energy: 0.5733758559841122
Energy: 1.2500994396120642
Energy: 0.558126324720541
Energy: 0.557787611999148
Energy: 0.5708746802195703
Energy: 0.7499509467703873
Energy: 0.7678884042808718
Energy: 0.8685251449999404
Energy: 0.790175780078931
Energy: 0.5591248835186415
Energy: 0.573807663295262
Energy: 0.5557701052221259
Energy: 0.5814662991407963
Energy: 0.8689164069809779
Energy: 0.5897980943304024
Energy: 0.7068343856688514
Energy: 0.5817652920904905
Energy: 0.6721871215746089
Energy: 0.6556475903712794
Energy: 0.8727528740238182
Energy: 0.6366880059874289
Energy: 0.672005455202652
Energy: 0.2376513631807231
Energy: 0.7019188673946214
Energy: 0.6714414533691033
Energy: 0.9515620280402933
Energy: 0.2037467363672129
Energy: 0.28039589031659395
Energy: 0.5798655778232488
Energy: 0.642972813512589
Energy: 0.20253411545217756
Energy: 0.9526517988664145
Energy: 0.7841513659662074
Energy: 0.7842051734690586
Energy: 0.5802482797007329
Energy: 0.8063318954941121
Energy: 0.7848544417954707
Energy: 1.1933121716704045
Energy: 0.7050790187542926
Energy: 0.7057835399430028
Energy: 0.6723476634619405
Energy: 0.6375841900817438
Energy: 0.6870008797715393
Energy: 1.2718103417239508
Energy: 0.5841173638078202
Energy: 0.6900657079219686
Energy: 0.7727352291353139
Energy: 0.5806825992467777
Energy: 0.78415174123722
Energy: 1.2731229230518182
Energy: 0.5712360630770941
Energy: 0.58086641915127
Energy: 0.5697877518658402
Energy: 0.5750441072184864
Energy: 0.5637675505447285
Energy: 1.3857505676685409
Energy: 0.5737216596424156
Energy: 0.5785291442784614
Energy: 0.7136720405153462
Energy: 0.5754137226047448
Energy: 0.6792164275208181
Energy: 1.5443180853036103
Energy: 0.5732320859046378
Energy: 0.5941637857758927
Energy: 0.7503948730187292
Energy: 0.5746764578483106
Energy: 0.6139750340810746

minimum gb energy = 0.16771641249892408 eV
minimum distance =  2.38719099269743 Angstroms
sigma value = 19


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

Energy: 1.4336015050966286
Energy: 0.8484635123905877
Energy: 0.8482252618335895
Energy: 0.7750854016448899
Energy: 0.816663223689511
Energy: 0.7887349480068507
Energy: 1.3159512899709798
Energy: 0.8171983081415366
Energy: 0.8169753558639931
Energy: 0.8459182634574587
Energy: 0.8172335934156725
Energy: 0.8533918988266969
Energy: 0.8549806051549855
Energy: 0.817283160924536
Energy: 0.8172329817838238
Energy: 0.8304737369622809
Energy: 0.8174350122216346
Energy: 0.8178254499440204
Energy: 1.0830670394177762
Energy: 0.9269612222539602
Energy: 0.9258715338220824
Energy: 0.8138152897157694
Energy: 0.8170592343900306
Energy: 0.9248046910850125
Energy: 0.776539476305292
Energy: 0.8537137403352073
Energy: 0.8532656392951422
Energy: 0.8038535758143233
Energy: 0.8551253738357388
Energy: 0.8672287926291907
Energy: 1.080181962423477
Energy: 0.8013358499675524
Energy: 0.8470932698674493
Energy: 0.8581130297284297
Energy: 0.8009940606108656
Energy: 0.8515329488395706
Energy: 1.0795707814496054
Energy: 0.8453972119408157
Energy: 0.8463111198633351
Energy: 0.8531622767800627
Energy: 0.8040892188485674
Energy: 0.8535337539104361
Energy: 0.9233738950984653
Energy: 0.8013906107437192
Energy: 0.8015367497928949
Energy: 0.8177110110144227
Energy: 0.7731915082278036
Energy: 0.8032202928360079
Energy: 0.8172163436027235
Energy: 0.8538461863560617
Energy: 0.8558857238709774
Energy: 0.8173140121846134
Energy: 0.8525973497554168
Energy: 0.8015473459807946
Energy: 0.8189133227007118
Energy: 0.8464762649047126
Energy: 0.8665765306724893
Energy: 0.8174842362016035
Energy: 0.8048794128473797
Energy: 0.8169835900528861
Energy: 0.8184073312675835
Energy: 0.8110932893303012
Energy: 0.8095990039286425
Energy: 0.8182195560370017
Energy: 0.8117306805942884
Energy: 0.8165549325306156
Energy: 1.1331058077534752
Energy: 0.8049186454483602
Energy: 0.8666602972737389
Energy: 0.8170700915315999
Energy: 0.8045802950991496
Energy: 0.8534329482384385
Energy: 0.8029990480969076
Energy: 0.8532102067657844
Energy: 0.8534374948275324
Energy: 0.805427587990584
Energy: 0.8534279092553059
Energy: 0.8475241760481738
Energy: 1.13286841136503
Energy: 0.8580656224995441
Energy: 0.8577800233956079
Energy: 0.8041831175846834
Energy: 0.8261885208279782
Energy: 0.8485562939170698
Energy: 1.3513799470950805
Energy: 0.8174732130340652
Energy: 0.8172154297538268
Energy: 0.8522287255379143
Energy: 0.817428112462806
Energy: 0.8557302142521366
Energy: 1.3538914914502036
Energy: 0.8172830236333394
Energy: 0.8027311901211589
Energy: 0.7730980973676483
Energy: 0.8183806819592815
Energy: 0.8013590896711402
Energy: 0.7548849521032115
Energy: 0.8174092348432807
Energy: 0.8169123926692166
Energy: 0.8040988583818665
Energy: 0.818777257736396
Energy: 0.8530666592081985
Energy: 1.0848421563257487
Energy: 0.81719637924518
Energy: 0.8175419245144518
Energy: 0.8144441996657313
Energy: 0.8173297327340948
Energy: 0.8184942578236878
Energy: 1.0854181326754238
Energy: 0.8173798025841557
Energy: 0.8177473026556991
Energy: 0.8153599759086375
Energy: 0.8172534760285092
Energy: 0.8546354796794547
Energy: 1.0792336217881027
Energy: 0.8011540643893816
Energy: 0.8483526059489495
Energy: 0.8042876559445431
Energy: 0.8010024084689705
Energy: 0.8456613247805
Energy: 1.0794954782513615
Energy: 0.8536824933887004
Energy: 0.853785251406995
Energy: 0.8289978577916726
Energy: 0.8549473272593844
Energy: 0.8524899248833543
Energy: 1.0792723865953175
Energy: 0.8455796881089043
Energy: 0.8533829944883908
Energy: 0.8545440609594191
Energy: 0.8041848705877521
Energy: 0.8533935351628658
Energy: 0.9815471514949698
Energy: 0.7705291129532604
Energy: 0.7735088750269735
Energy: 0.923807412490068
Energy: 0.7728877838436004
Energy: 0.8024572540057316
Energy: 0.8172472073476971
Energy: 0.8668970490169231
Energy: 0.8533430823683975
Energy: 0.8171865694054707
Energy: 0.8571239332122091
Energy: 0.8170426662443394
Energy: 0.8174087838042072
Energy: 0.8673630344161295
Energy: 0.8539868125850326
Energy: 0.8173379850473428
Energy: 0.8294528780934819
Energy: 0.8171706295452176
Energy: 0.8043760510344338
Energy: 0.8124891614347237
Energy: 0.8097650753150766
Energy: 0.8184772829383774
Energy: 0.8127374659990911
Energy: 0.8173030346342289
Energy: 1.131411615897988
Energy: 0.8044352510952707
Energy: 0.8463502085629526
Energy: 0.8171010109507792
Energy: 0.8038825394952399
Energy: 0.853273613877555
Energy: 0.8013031338866086
Energy: 0.8562593202490009
Energy: 0.8575239276189028
Energy: 0.8009785018973695
Energy: 0.8535315686423591
Energy: 0.8481516529918699
Energy: 1.0658372010165382
Energy: 0.8560361067529737
Energy: 0.8574707892114147
Energy: 0.8042135657850397
Energy: 0.8532059529030089
Energy: 0.8486815161813964
Energy: 1.352614908637395
Energy: 0.8176007603901344
Energy: 0.8019850913077372
Energy: 0.7756953712304929
Energy: 0.817305770015945
Energy: 0.8012999761101604

minimum gb energy = 0.7548849521032115 eV
minimum distance =  2.3838043686694 Angstroms
sigma value = 27


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

Energy: 1.1335759130434435
Energy: 0.6183150457531952
Energy: 0.9548485437734257
Energy: 0.5840315318877959
Energy: 0.6395403569306223
Energy: 0.877336660945278
Energy: 0.8503866082766535
Energy: 0.6383901107947568
Energy: 0.6406603717355273
Energy: 0.6459055112406639
Energy: 0.6377841350845952
Energy: 0.6457558845406494
Energy: 1.3741072354633928
Energy: 0.6380827948525073
Energy: 0.6458794157823162
Energy: 0.6408609466298432
Energy: 0.63759543603723
Energy: 0.6480888782933133
Energy: 1.2019069884184017
Energy: 0.7713987024742189
Energy: 0.7707426081059697
Energy: 0.6442626121153505
Energy: 0.770888506979166
Energy: 0.75739491709729
Energy: 1.0177046513745025
Energy: 0.6198816587664177
Energy: 0.6479822898406664
Energy: 0.6428477982009978
Energy: 0.6201327867268255
Energy: 0.6477852402395514
Energy: 0.8768082658863189
Energy: 0.6170534165813363
Energy: 0.6163520820248988
Energy: 0.8035070109972372
Energy: 0.6003911556922189
Energy: 0.6165548614562872
Energy: 0.8073419501983577
Energy: 0.645912738738496
Energy: 0.645409768769056
Energy: 0.7410517579234988
Energy: 0.6446256665853783
Energy: 0.6420468386540614
Energy: 0.9809386588908159
Energy: 0.6186561431205156
Energy: 0.6381956272793468
Energy: 0.9057159637799538
Energy: 0.6222281823962197
Energy: 0.6384376949668594
Energy: 0.9463482390612116
Energy: 0.6426567085155439
Energy: 0.6325479681879562
Energy: 0.6421642398678097
Energy: 0.6431266314423802
Energy: 0.6428382456120313
Energy: 0.948610523483579
Energy: 0.6432051404469127
Energy: 0.64577330581163
Energy: 0.6440509756643598
Energy: 0.6443304276886802
Energy: 0.6449378191244766
Energy: 0.9464373880937093
Energy: 0.635121692321438
Energy: 0.632886096187353
Energy: 0.644528050900546
Energy: 0.6402817781620076
Energy: 0.6339987440353366
Energy: 0.6355762166145918
Energy: 0.6425169367488944
Energy: 0.6443555117458396
Energy: 0.6467392740794388
Energy: 0.6426001053441576
Energy: 0.6439631018471916

minimum gb energy = 0.5840315318877959 eV
minimum distance =  2.40916200178073 Angstroms
sigma value = 9


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

Energy: 0.8385165238102523
Energy: 0.6891520178134909
Energy: 0.5317542790024771
Energy: 0.6304180049656566
Energy: 0.4870215169147748
Energy: -1.1548645310994479
Energy: 0.9560161595721326
Energy: 0.48288830718523057
Energy: 0.5603321400403186
Energy: 0.5371205275056762
Energy: -0.8531127864528637
Energy: 0.5601080934203485
Energy: 1.0706100587178795
Energy: 0.5253838725828477
Energy: 0.5275507185823388
Energy: 0.5486638944645195
Energy: 0.5335540954678677
Energy: 0.5303510995539773
Energy: 1.0699319171157866
Energy: 0.6097680911777844
Energy: 0.6099354165101782
Energy: 0.4940053068735779
Energy: 0.5243270489250881
Energy: 0.6112980541315799
Energy: 0.6210088879848865
Energy: 0.4996721749450046
Energy: 0.502154254526041
Energy: 0.5621960739771326
Energy: 0.5166904221793048
Energy: 0.5477778480320913
Energy: 0.767367502814878
Energy: 0.5087115969236022
Energy: 0.4818220094939278
Energy: 0.486733545854094
Energy: 0.47955254418609033
Energy: 0.5252552745476246
Energy: 0.6715894494858812
Energy: 0.5195589380687222
Energy: 0.5370007710255273
Energy: 0.47981503339006953
Energy: 0.5168096921705809
Energy: 0.525097833438252
Energy: 0.7234846168057568
Energy: 0.5087093904272948
Energy: 0.5236166182895029
Energy: 0.5072864432274072
Energy: 0.5117217493162808
Energy: 0.4988180894730951
Energy: 0.573259772263472
Energy: 0.5118926229383375
Energy: 0.5179868657472312
Energy: 0.5220803090974574
Energy: 0.5059624835433864
Energy: 0.5224836883875175
Energy: 1.239254847294642
Energy: 0.6588884657352548
Energy: 0.6112464931495274
Energy: 0.4375660482176274
Energy: 0.7675712651482591
Energy: 0.5169617014035397
Energy: 1.2358772098683364
Energy: 0.5180487873024292
Energy: 0.5224526943301315
Energy: 0.5140605940413189
Energy: 0.5256312933167976
Energy: 0.5232136085904848
Energy: 0.9578464257358827
Energy: 0.507103317131391
Energy: 0.5455732770155238
Energy: 0.48842199408297404
Energy: 0.47058484043548415
Energy: 0.5224674660223255
Energy: 1.0442443938429475
Energy: 0.4360002376987641
Energy: 0.44799816391681785
Energy: 0.4847166418595755
Energy: 0.5992574407944915
Energy: 0.6451181633565415
Energy: 0.9576524004975334
Energy: 0.5378287438674323
Energy: 0.5487632868599897
Energy: 0.5281518747660614
Energy: 0.5377212239569295
Energy: 0.5249353204770084
Energy: 0.6830205293019447
Energy: 0.5003710153288551
Energy: 0.5043245100433039
Energy: 0.5244967002989532
Energy: 0.49922395063805863
Energy: 0.605341687499382
Energy: 0.6836931459161241
Energy: 0.5472120532931491
Energy: 0.526299238281806
Energy: 0.5346994228075415
Energy: 0.5488740338774856
Energy: 0.5432736021949397
Energy: 0.6800848536774209
Energy: 0.4842116347268795
Energy: 0.5159834107858822
Energy: 0.5250294978255786
Energy: 0.4837417064953178
Energy: 0.5341454612994043
Energy: 0.705480941798905
Energy: 0.47044333696400703
Energy: 0.48747043530726286
Energy: 0.4164672284862158
Energy: 0.5069255518338686
Energy: 0.5410696236622918
Energy: 0.8249356504236063
Energy: 0.576586147532781
Energy: 0.5754530648863628
Energy: 0.55357712388419
Energy: 0.5737740887937409
Energy: 0.5488934969438212
Energy: 0.7917276576435577
Energy: 0.5259207963303829
Energy: 0.5402244776911589
Energy: 0.5479025118017029
Energy: 0.5260546940369167
Energy: 0.5404224203797956
Energy: 0.6013746967120904
Energy: 0.5413441177265514
Energy: 0.5456162412281265
Energy: 0.5660517353472889
Energy: 0.5411206287017555
Energy: 0.5473898721018506
Energy: 0.8382355045999145
Energy: 0.4982320003365306
Energy: 0.4969598468450163
Energy: 0.5461265358217791
Energy: 0.5328099946944393
Energy: 0.45289629135003867
Energy: 0.844296182450839
Energy: 0.4972307703031835
Energy: 0.5404785981056833
Energy: 0.5192426454230372
Energy: 0.5143206510634326
Energy: 0.5371387798020728
Energy: 0.9646947894463198
Energy: 0.5260800246603456
Energy: 0.5226631027610118
Energy: 0.5417394674802135
Energy: 0.5346102328923896
Energy: 0.5422045087188664
Energy: 1.0724383514934337
Energy: 0.4968588054617152
Energy: 0.5039857814477179
Energy: 0.4640087522712115
Energy: 0.5373095062192109
Energy: 0.5192235556216843
Energy: 0.96457027073287
Energy: 0.5245689346304705
Energy: 0.527274329519977
Energy: 0.5483347047619166
Energy: 0.534140595474948
Energy: 0.5259360221344217
Energy: 0.8607791109243634
Energy: -0.0423675032184204
Energy: 0.06330142449261149
Energy: 0.7494150136800959
Energy: -0.4542479301469345
Energy: 0.6107987445287631
Energy: 0.6706829441151427
Energy: 0.5212481950995822
Energy: 0.5263682606900126
Energy: 0.513193925179324
Energy: 0.5210668640123718
Energy: 0.5479640850681876
Energy: 0.670202757994281
Energy: 0.5143923004858872
Energy: 0.5182002542420465
Energy: 0.5266058622736292
Energy: 0.5366662262509945
Energy: 0.5223096657456928
Energy: 0.6931057201510293
Energy: 0.5218743758512435
Energy: 0.5225392291595503
Energy: 0.6072516941136458
Energy: 0.4929761868663677
Energy: 0.5219009195093347
Energy: 1.234076893106712
Energy: 0.5176163738180761
Energy: 0.5219573377727695
Energy: 0.5196341184773368
Energy: 0.5258062746074144
Energy: 0.524568145243858
Energy: 1.2409411726812623
Energy: 0.6594839521918687
Energy: 0.6598164545744071
Energy: 0.4386021202123873
Energy: 0.6512874002401159
Energy: 0.5168023346637222
Energy: 0.9624618549465862
Energy: 0.43764947717077146
Energy: 0.5236794321849464
Energy: 0.5169845587593761
Energy: 0.4797284658197366
Energy: 0.5396882624613203
Energy: 1.0427901499338557
Energy: 0.608875843249151
Energy: 0.5288479253619371
Energy: 0.477403344964002
Energy: 0.6577236133402287
Energy: 0.5375482099475924
Energy: 1.0434878905038996
Energy: 0.5281806415153212
Energy: 0.5382906547180382
Energy: 0.5041642846312248
Energy: 0.5376059056822982
Energy: 0.5468802716643416
Energy: 0.7308222864953957
Energy: 0.5375470057458105
Energy: 0.5253650528127695
Energy: 0.6055963092786352
Energy: 0.5357013241816192
Energy: 0.6099011395254195
Energy: 0.7290949418787105
Energy: 0.5233085751002831
Energy: 0.5223232862961447
Energy: 0.6110073315476267
Energy: 0.5114412792239083
Energy: 0.5286857342063064
Energy: 0.6803206012275884
Energy: 0.5305341386864094
Energy: 0.5307727637366668
Energy: 0.518667318467909
Energy: 0.5271246769454764
Energy: 0.5491824962663077
Energy: 0.7173016990824035
Energy: 0.685971270650219
Energy: 0.6774038522554076
Energy: 0.14693287119277346
Energy: 0.5161359207962599
Energy: 0.6737628872455668
Energy: 0.8241280383953266
Energy: 0.5322143207353411
Energy: 0.5323139320755571
Energy: 0.5578234749369976
Energy: 0.5328936869263159
Energy: 0.5487320549368487
Energy: 0.7900570865841814
Energy: 0.5408506767376298
Energy: 0.549134330864527
Energy: 0.5259279292851183
Energy: 0.5021950027155039
Energy: 0.5492474443343629
Energy: 0.825193626000788
Energy: 0.5413277172424323
Energy: 0.5405709707071072
Energy: 0.5433481287094165
Energy: 0.5106167712705701
Energy: 0.546903513566891
Energy: 0.9724555035397036
Energy: 0.5119055785118858
Energy: 0.5128066902408294
Energy: 0.5193465792127745
Energy: 0.5521331167643269
Energy: 0.5366155769914008

minimum gb energy = -1.1548645310994479 eV
minimum distance =  2.39682615370092 Angstroms
sigma value = 57


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

Energy: 0.7804747609982711
Energy: 0.5381452726100712
Energy: 0.2833045135367495
Energy: 0.28163552790779967
Energy: 0.5162920721886738
Energy: 0.5224381960107368
Energy: 0.5845249167250303
Energy: 0.4241298214055478
Energy: 0.4260061385879164
Energy: 0.4205294394553373
Energy: 0.4335915888458681
Energy: 0.4258578657631782
Energy: 0.4311204187513788
Energy: 0.756958423106156
Energy: 0.4276070064644685
Energy: 0.45081624765147266
Energy: 0.43627907047527104
Energy: 0.43295571028477703
Energy: 0.6938853396624775
Energy: 0.42229758435998044
Energy: 0.44620758549471495
Energy: 0.690451710998439
Energy: 0.6862696328611061
Energy: 0.688862468032043
Energy: 0.7169136299152096
Energy: 0.41511968835381086
Energy: 0.4236267273616882
Energy: 0.6775990958872613
Energy: 0.28418909034923584
Energy: 0.7114278100391443
Energy: 0.7535952123428673
Energy: 0.4236757014739617
Energy: 0.445248622546063
Energy: 0.6764179556332103
Energy: 0.28286556116097705
Energy: 0.2826517698408851
Energy: 0.43188089836612287
Energy: 0.6876517325295011
Energy: 0.4275707078533765
Energy: 0.6781559939845746
Energy: 0.7004367065416341
Energy: 0.03374812216927282
Energy: 0.7340007685302522
Energy: 0.8305865521021214
Energy: 0.7901464301420983
Energy: 0.4398158729137652
Energy: 0.7221646371920636
Energy: 0.8198280618499849
Energy: 0.8110322994712795
Energy: 0.8447023348478189
Energy: 0.7820426926221798
Energy: 0.8550363645251926
Energy: 0.8225307889697322
Energy: 0.7972534889194307
Energy: 0.3910934771377205
Energy: 0.7696984956848285
Energy: 0.2832720021258015
Energy: 0.28365242249047184
Energy: 0.4304455811682105
Energy: 0.2832551705321186
Energy: 0.32259470093815235
Energy: 0.81363652360074
Energy: 0.834782261520053
Energy: 0.284142825102586
Energy: 0.8303094894848497
Energy: 0.2836927079958562
Energy: 0.7997163368136212
Energy: 0.7989140012428796
Energy: 0.8325188539903257
Energy: 0.8079225295730859
Energy: 0.8296885064955231
Energy: 0.4393746883904963
Energy: 0.6907071140358695
Energy: -0.08715655300520281
Energy: 0.3361644695893761
Energy: 0.4386676990523753
Energy: 0.781413932339585
Energy: 0.7841015827485645
Energy: 0.5802106836067348
Energy: 0.6807436304626414
Energy: 0.03369511268768415
Energy: 0.42990999315635003
Energy: 0.419673415745741
Energy: 0.6876809127916788
Energy: 0.7532507315102397
Energy: 0.2812255827534222
Energy: 0.2826508693769612
Energy: 0.6921771232915106
Energy: 0.44593082380411186
Energy: 0.4491316599129104
Energy: 0.7569676241606913
Energy: 0.6786109597192835
Energy: 0.682460784530323
Energy: 0.6886804909789689
Energy: 0.4209167406966092
Energy: 0.6956642827516626
Energy: 0.70081170079348
Energy: 0.6301779831571199
Energy: 0.37010634170902795
Energy: 0.7019230126483141
Energy: 0.1909329917297912
Energy: 0.43991914073588845
Energy: 0.672381996742127
Energy: 0.4232349269294212
Energy: 0.432137878119502
Energy: 0.45725586603747514
Energy: 0.43403122276662776
Energy: 0.050040621234454304
Energy: 0.6352588005639305
Energy: 0.42832978435419167
Energy: 0.42256721646109413
Energy: 0.28529197950655316
Energy: 0.42254884560356515
Energy: 0.42257562553878003

minimum gb energy = -0.08715655300520281 eV
minimum distance =  2.40591016976385 Angstroms
sigma value = 11


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

Energy: 1.1785568458304767
Energy: 0.5129779688618394
Energy: 0.8959916039832471
Energy: 0.626933422531592
Energy: 0.1849679631871292
Energy: -0.4961178159399684
Energy: 0.35029537072926786
Energy: 0.13032230620784607
Energy: 0.14857339430636868
Energy: 0.13188131849169454
Energy: 0.13964901979459685
Energy: 0.12306290000385393
Energy: 0.30681433543867387
Energy: -0.062199501773727524
Energy: 0.1383858311663563
Energy: 0.1345037802064841
Energy: -0.06203513807101632
Energy: 0.1327991748128892
Energy: 0.30650609624992725
Energy: 0.12720004637622126
Energy: 0.13311910886778358
Energy: 0.12625966084060292
Energy: -0.3531107874181981
Energy: 0.14058257002973434
Energy: 0.21008769579673384
Energy: 0.44106434403110706
Energy: 0.44144093832615444
Energy: 0.177358491686531
Energy: 0.42516145371781516
Energy: 0.14131541067366624
Energy: 0.9500922168102844
Energy: 0.4281004097212428
Energy: -0.2664444407896838
Energy: 0.6131662880922432
Energy: 0.39023822200092756
Energy: -0.4834620751019102
Energy: 0.15676737708485328
Energy: 0.13293370528273846
Energy: 0.14221031687449567
Energy: 0.06644564365419814
Energy: 0.2280860210058865
Energy: 0.1623393818669478
Energy: 0.1384538351884048
Energy: 0.20288612765972894
Energy: 0.4773484278373321
Energy: 0.1400911060452212
Energy: 0.22898787431961012
Energy: 0.4787293826454393
Energy: 0.17114894758587973
Energy: 0.1365465833358748
Energy: 0.13439074836552822
Energy: 0.12491376654013488
Energy: 0.09347343428219752
Energy: 0.12796480247472228
Energy: -0.17123578457446806
Energy: 0.1636246685210502
Energy: 0.14314868866494113
Energy: -0.2987596628833674
Energy: 0.6700670809069277
Energy: 0.6277080133521328
Energy: 1.1141226182272101
Energy: 0.45375483492676827
Energy: 0.46002758386231923
Energy: 0.43414448532399785
Energy: 0.1452841594581691
Energy: 0.12091053799191244
Energy: 0.48930516537707003
Energy: 0.1509760586742581
Energy: 0.19468628643444882
Energy: 0.301405636741583
Energy: 0.1030726115644792
Energy: 0.2535658346837409
Energy: 0.5265518051733538
Energy: 0.359886283047004
Energy: 0.3551576501459259
Energy: 0.30030681745908977
Energy: 0.15299043334791285
Energy: -0.12240450836380548
Energy: 0.8115528926153386
Energy: 0.5794498589456947
Energy: 0.5812648068859622
Energy: 0.5811166875322151
Energy: 0.582418468007678
Energy: 0.5805386081900555
Energy: 0.9330184336058098
Energy: 0.4159585168920229
Energy: 0.42380256251981824
Energy: 0.3293599462380888
Energy: 0.5490423606467114
Energy: 0.38551133592041226
Energy: 1.1200274159001298
Energy: 0.5814611489940971
Energy: 0.5797163104093096
Energy: 0.5830828415735826
Energy: 0.12671900183426882
Energy: 0.5823048559695397
Energy: 0.5786271810252028
Energy: 0.3480922868597099
Energy: 0.434328688550849
Energy: 0.35116660937219873
Energy: 0.5999453385148681
Energy: 0.47208293871457374
Energy: 1.1506182890399623
Energy: 0.5808710896607114
Energy: 0.5818488899927997
Energy: 0.14189175747503144
Energy: 0.6740473865969855
Energy: 0.5814889297991892
Energy: 0.307633009046318
Energy: 0.20712680287968233
Energy: 0.13035317215858122
Energy: 0.13258713061795127
Energy: -0.211103260395309
Energy: 0.14001437873398262
Energy: 0.3800607687568734
Energy: 0.6389144164874537
Energy: 0.589184896683205
Energy: 0.12626538148525512
Energy: 0.6467042308573213
Energy: 0.3638131803978875
Energy: 1.1074285078043786
Energy: 0.12587021149890035
Energy: 0.11153222122947333
Energy: 0.30021335985991143
Energy: 0.5791431344602718
Energy: 0.46034727707630496
Energy: 0.8527966387560102
Energy: -0.21268853404996158
Energy: 0.35424118902436186
Energy: 0.9008748910193152
Energy: 0.37721531627854793
Energy: 0.6992523872671996
Energy: 0.11036265003709352
Energy: 0.29911170000661313
Energy: 0.4449300487653979
Energy: 0.12335599893690491
Energy: 0.09373059366706409
Energy: 0.43863391372449023
Energy: 0.2595766096593489
Energy: 0.19482636492037006
Energy: 0.28071654717268896
Energy: 0.22469623324170515
Energy: 0.12588813464589274
Energy: 0.2787025898221534
Energy: 0.3687897773083986
Energy: 0.13949533467411376
Energy: 0.2904538102993055
Energy: 0.20722492077211943
Energy: 0.12583781436325425
Energy: 0.27623158314350144
Energy: 0.33461204862514204
Energy: 0.12468726791450659
Energy: -0.06222027836166035
Energy: 0.5737892200812212
Energy: 0.18160268497746374
Energy: -0.4296461529290058

minimum gb energy = -0.4961178159399684 eV
minimum distance =  2.39056667836785 Angstroms
sigma value = 41


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

Energy: 0.7042105737963512
Energy: 1.1133769432498604
Energy: 1.1154618985720628
Energy: 0.8403165537015095
Energy: 0.5794579186506563
Energy: 0.5475835773999007
Energy: 0.38123829522286196
Energy: 0.15658939772801
Energy: 0.1450073889168222
Energy: 0.15796744281557018
Energy: 0.1579276224838317
Energy: 0.153094749479158
Energy: 0.3164856055858373
Energy: 0.1603940783612306
Energy: 0.14565997610223064
Energy: 0.15953294033173787
Energy: 0.1542082039685384
Energy: 0.16124927954598203
Energy: 0.3162245344028485
Energy: 0.1541030339960171
Energy: 0.1606405135660814
Energy: 0.15343876874250587
Energy: 0.14821341517096795
Energy: 0.1550578545972866
Energy: 0.4756233280376298
Energy: 0.09556089444240871
Energy: 0.0950771758610704
Energy: 0.14788909267929204
Energy: 0.13247051822349523
Energy: 0.14675820486933985
Energy: 0.5256928714712165
Energy: -0.18288532157349205
Energy: -0.4452922136358788
Energy: 0.2970324124575265
Energy: -0.22886863083075848
Energy: 0.523143494538696
Energy: 0.018956689347308583
Energy: 0.15429009045227712
Energy: 0.146131563014061
Energy: 0.1461096961650295
Energy: -0.10526783953100471
Energy: 0.14839152379752002
Energy: 0.3759262233226524
Energy: 0.12966462641835752
Energy: 0.596801572381517
Energy: -0.02659153391768587
Energy: 0.19441460237818048
Energy: -0.3721601518546241
Energy: 0.34420406196015013
Energy: 0.1675504701930893
Energy: 0.147799698783382
Energy: 0.15649645189818298
Energy: 0.15934220767994475
Energy: 0.14848680249777346
Energy: -0.41173580051393105
Energy: 0.3286522965748777
Energy: -0.2698741144561876
Energy: 0.1430793906382184
Energy: 0.18815691052120767
Energy: 0.4797451568336839
Energy: 0.2816877139939742
Energy: 0.47879420025971225
Energy: -0.07654453904789169
Energy: 0.14920180353961265
Energy: 0.4746463585567935
Energy: 0.38569694343419775
Energy: 0.38605185041187773
Energy: 0.07661767847773322
Energy: -0.07771584207885794
Energy: 0.32031489008544367
Energy: 0.13463608648707753
Energy: -0.07669050554545728
Energy: 0.5513530833224961
Energy: -0.032643007735786315
Energy: -0.4386726947952869
Energy: 0.41773011832489443
Energy: 0.13631034802156466
Energy: -1.226011538352135
Energy: 0.3770408399642635
Energy: 0.16045680241164972
Energy: 0.155090804960604
Energy: 0.1605580555578271
Energy: 0.17199242837313178
Energy: 0.1531145721608525
Energy: 0.3737767492043895
Energy: 0.5863753670972319
Energy: -0.04170410460703744
Energy: 0.1909679990438637
Energy: 0.5854370462473917
Energy: -0.03988437520556525
Energy: 0.31678629357946864
Energy: 0.14697804117898777
Energy: 0.14813303710245343
Energy: 0.14852062406312583
Energy: 0.15630062568927136
Energy: 0.145826044022508
Energy: -0.5584870585589718
Energy: 0.04302049003476403
Energy: 0.39222161440443454
Energy: -0.47467293182563797
Energy: 0.3278333415987035
Energy: 0.5037131837340678
Energy: 0.3842815157811818
Energy: 0.1592877112878627
Energy: 0.14597528715864652
Energy: -0.37108636535210593
Energy: 0.15512659712080584
Energy: -0.2027453786799778
Energy: 0.31608825700008875
Energy: 0.15897824423880197
Energy: 0.16081636976342728
Energy: 0.145955202393126
Energy: 0.15414276684491826
Energy: 0.1468537570336773
Energy: 0.3166390823406995
Energy: 0.1597505981316514
Energy: 0.14794316509484104
Energy: 0.15719648961539467
Energy: 0.15999702345676275
Energy: 0.14604716987693428
Energy: 0.4742818578781437
Energy: 0.15374212019277275
Energy: 0.14849116184643812
Energy: 0.16262831905765085
Energy: 0.1591472077672217
Energy: 0.14682948635162762
Energy: 0.258363057564135
Energy: 0.13765508017328779
Energy: 0.13420766877139678
Energy: 0.2698410727608172
Energy: 0.39336584254057977
Energy: 0.24992176620789336
Energy: 0.19404895996534388
Energy: 0.15421177271740655
Energy: 0.15387023654660528
Energy: 0.15914873143390093
Energy: 0.15619056353657376
Energy: 0.15636004227690048
Energy: 0.37592186495843105
Energy: 0.5860170115267973
Energy: 0.12305386699471084
Energy: 0.2171475089359442
Energy: 0.5861537191316254
Energy: -0.07761002613406753
Energy: 0.06900116740648236
Energy: 0.15421344092276382
Energy: 0.1532502383937947
Energy: 0.15661584653905963
Energy: 0.16705949175928017
Energy: 0.15389395052194926
Energy: 0.26691263589822234
Energy: 0.47992611359334053
Energy: -0.07581082198132633
Energy: 0.14725389865215413
Energy: 0.475653190823441
Energy: 0.38568354129295973
Energy: -0.4244569692740224
Energy: 0.3258032082606014
Energy: -0.27037808389258566
Energy: 0.1505240886947792
Energy: 0.13690435758408226
Energy: 0.0801202436933385
Energy: 0.3863568390684066
Energy: 0.06374452728684275
Energy: 0.3856371049105562
Energy: 0.4780650426964061
Energy: 0.0662288264064644
Energy: 0.38535897290832366
Energy: 0.5782473296724551
Energy: 0.23451320875221413
Energy: -0.8185535419522548
Energy: 0.4427044306598534
Energy: 0.31060375005935903
Energy: -1.2238353906040886
Energy: 0.39367412190802215
Energy: 0.385949749958701
Energy: 0.386182019986152
Energy: 0.37164997134423594
Energy: 0.3862474896557802
Energy: 0.3928612064301537
Energy: 0.37256610728650047
Energy: 0.22645117264284895
Energy: 0.21271366249493232
Energy: -0.23420607543566682
Energy: 0.4241961443857855
Energy: 0.21852485481397263
Energy: 0.37618448425616996
Energy: 0.17641041907441282
Energy: 0.14629305677370402
Energy: -0.03329883138861554
Energy: 0.18338442756346607
Energy: 0.1458330286561318
Energy: 1.1358267026648752
Energy: 0.14782473278817773
Energy: -0.2038835524200576
Energy: -0.4759856837631603
Energy: 0.11828466361000313
Energy: -0.03276586043909793

minimum gb energy = -1.226011538352135 eV
minimum distance =  2.40292445603662 Angstroms
sigma value = 33


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

Energy: 0.6475501849413878
Energy: 1.0633921499076133
Energy: 1.0632037350595214
Energy: 0.4974284781989387
Energy: 0.6978683087368811
Energy: 1.0624844866127494
Energy: 0.0005624749737759209
Energy: -0.05272927648491852
Energy: -0.05309673203651064
Energy: -0.7585464808491916
Energy: -0.6796040301362986
Energy: -0.05315734400494564
Energy: -0.02650923269602212
Energy: -0.7762920124386884
Energy: -0.05726367355389755
Energy: -0.6989781227339447
Energy: -0.6884016862913169
Energy: -0.05884533150036445
Energy: -0.027837476694494174
Energy: -0.6331392076789223
Energy: -0.05822739405172732
Energy: -0.05247633574977852
Energy: -0.7580297480803374
Energy: -0.05521713078708208
Energy: 0.7481044230434565
Energy: -0.7771653941658551
Energy: 0.42171724691946916
Energy: -0.36402570741698365
Energy: -1.0237699651511551
Energy: 0.4212930065663924
Energy: 0.8908874803978395
Energy: -0.3240047783220973
Energy: 0.4222390691917179
Energy: -0.7533172408468359
Energy: -1.1398917095964014
Energy: 0.42586234736502215
Energy: 0.5348572351535914
Energy: 0.4166608487754933
Energy: -0.6701362936783275
Energy: -0.7910447660765477
Energy: 0.41719762520877207
Energy: -0.7479971153187432
Energy: -0.9756165702968758
Energy: -0.7179177203178869
Energy: -1.0558998872308318
Energy: -0.8312056542491366
Energy: 0.773195885973758
Energy: -1.0184661972568103
Energy: 0.5371750980252987
Energy: 0.4239553908980888
Energy: 0.4188302073267252
Energy: 0.4210060982961877
Energy: 0.4158723089708445
Energy: 0.4196908789822245
Energy: 0.5401601281774691
Energy: -0.0851511363144311
Energy: 0.7074512952815488
Energy: -0.7005167048769431
Energy: -0.8100628367883754
Energy: 0.7158872061934477
Energy: 0.5386703814723532
Energy: 0.417396771782045
Energy: -0.7179530823083371
Energy: -0.788933474892669
Energy: 0.7170210876093999
Energy: -0.05420422167259408
Energy: 0.8897869379044473
Energy: -1.0519758612546084
Energy: -1.0072288547977732
Energy: 0.7168326776791579
Energy: 0.007942817304203917
Energy: -1.1215511787932442
Energy: 0.7753425442501021
Energy: 0.011498919260723106
Energy: -0.9051245359528282
Energy: 0.7256717287631296
Energy: 0.009090214413957753
Energy: 1.0147037772361418
Energy: -0.060869040307605975
Energy: -0.04973906060840974
Energy: -0.813319375308593
Energy: -0.052245814696307666
Energy: -0.04658851339881466
Energy: -0.797802862696772
Energy: -0.37675286037523337
Energy: -0.6767677836857316
Energy: -0.6913968934548359
Energy: -0.8012474312882016
Energy: -0.7685958006346114
Energy: -0.05577375448696583
Energy: -0.0027565354174657556
Energy: -0.0484635810048315
Energy: -0.7908519424585434
Energy: -0.05205529204417172
Energy: -0.6869080220429209
Energy: -0.6176203530542576
Energy: 0.5514671764772039
Energy: 0.7313806778733988
Energy: 0.7162287538538684
Energy: -0.6968417820016692
Energy: -0.7550439966248454
Energy: 0.719980353001499
Energy: 0.5501061655279403
Energy: -0.7489558579910217
Energy: 0.42081928290682163
Energy: -0.10951515234443086
Energy: -0.5569710586266522
Energy: 0.4203555344705035
Energy: 0.8027054611770131
Energy: -0.9304795740563563
Energy: -0.9281764400152344
Energy: -0.07701980801388826
Energy: -1.0456024426088242
Energy: 0.4085960345949701
Energy: -0.04840065719502581
Energy: -0.9286184896788675
Energy: -0.9201390760952004
Energy: -0.07794404560285007
Energy: -0.9406191931473857
Energy: -0.05650914336508451
Energy: 0.7539121735669955
Energy: 0.4239566190690389
Energy: 0.42351391222799206
Energy: 0.7136877802649174
Energy: -0.05217811932061373
Energy: 0.42439190994596937
Energy: 0.1490787748949331
Energy: 0.727097928448635
Energy: 0.7244099949556396
Energy: -0.8446176796181575
Energy: 0.6852696586043276
Energy: -0.6136347631788683
Energy: -0.33034024870520584
Energy: -0.04861531053959709
Energy: -0.8532234938904106
Energy: 0.4156043931668155
Energy: -0.6976572123928719
Energy: -0.6268277885780027
Energy: -1.5966098937828046
Energy: 0.7238604867779826
Energy: 1.0440657138020208
Energy: 0.007454995760561695
Energy: 0.7229353702606417
Energy: 1.012796375235523
Energy: -0.8073625867650905
Energy: -0.04905072872697135
Energy: -0.7409422663895939
Energy: -1.035755095681088
Energy: 0.7188391390181211
Energy: 0.42601044409999433
Energy: -0.10335671205073922
Energy: -0.5881008574981663
Energy: -0.06005120482612334
Energy: -0.05283801733375111
Energy: -0.7979162608241434
Energy: -0.05505752567632753
Energy: -0.09787808500272448
Energy: -0.1156826895022149
Energy: -0.722226862676111
Energy: -0.765702973848968
Energy: -0.8075374187095608
Energy: -0.0547762995423856
Energy: 0.7508695134800772
Energy: -0.6972996278909733
Energy: -0.7626516337545151
Energy: -0.34434797944168327
Energy: -0.9223318092118223
Energy: -0.6622191648231511
Energy: 0.8861330316031102
Energy: 0.42058829454913776
Energy: -1.0260984680845375
Energy: 0.7176343646337426
Energy: -0.743836613526654
Energy: 0.7176160471723403
Energy: 0.5373461819197523
Energy: 0.4168372697819615
Energy: -0.0499195143840806
Energy: -0.06754127535943354
Energy: 0.41532570632914034
Energy: -0.7184158792739275
Energy: -0.13167065147277052
Energy: 0.7653967513521198
Energy: -1.1838281601577183
Energy: -0.9064774186243414
Energy: 0.7588994901585161
Energy: -1.161835841172425
Energy: 0.5341720833266063
Energy: 0.4248751418416467
Energy: 0.4244938032670712
Energy: 0.41216733861929855
Energy: 0.4155264602773717
Energy: 0.4191670625355975
Energy: 0.5392285059403089
Energy: 0.7053989219110877
Energy: 0.7092109686887381
Energy: -0.7675798635558088
Energy: 0.7052959907679394
Energy: -0.0560342490401523
Energy: 0.5396191558134409
Energy: 0.7051705231545947
Energy: 0.7096554841823921
Energy: -0.7745772888807952
Energy: -0.8106144401480769
Energy: -0.057649729893644974
Energy: 0.8908363958755425
Energy: -0.8252789479511591
Energy: -1.0195670157058463
Energy: -0.2864793331567548
Energy: -0.9626564006461211
Energy: 0.42105921494363935
Energy: 0.7744072533804756
Energy: -1.1605143336077353
Energy: 1.0141550153404786
Energy: 0.7247024238372267
Energy: 0.007325255940645624
Energy: 1.0140883650939811
Energy: -0.7532361951875035
Energy: -0.0519261347477018
Energy: -0.7556727315600777
Energy: -0.052245237505321875
Energy: -0.05186455348547962
Energy: -0.05881429463569398
Energy: 0.563367227086441
Energy: -0.09597536219438041
Energy: -0.6530507884061391
Energy: 0.472378241886315
Energy: -0.7972353155586986
Energy: -0.05044003475558212
Energy: -0.06038354737923977
Energy: -0.5379653834059375
Energy: -0.7960876369516924
Energy: -0.052243166680853055
Energy: -0.05154566448347921
Energy: -0.7778063554566866
Energy: 0.5508249548428431
Energy: 0.7256905689109738
Energy: -0.3163904447117566
Energy: -1.1993468053723229
Energy: 0.726293914486021
Energy: 0.42146967138070346
Energy: 0.5500935607727069
Energy: -0.048535470807100606
Energy: 0.42131737611953707
Energy: -0.11227719399119937
Energy: -0.28604936135901704
Energy: 0.4195406465907959
Energy: 0.7972050092430112
Energy: -1.1175497061177924
Energy: -0.7808865575996267
Energy: 0.7042809029386742
Energy: -0.9353188846772235
Energy: -0.057190663491532956
Energy: -0.04038560074270468
Energy: -0.9362197385504243
Energy: -0.9353876540471613
Energy: -0.630051146909463
Energy: -0.9978713477955982
Energy: -0.9262564282015308
Energy: 0.4879558794068699
Energy: 0.41995088474654313
Energy: 0.4194841033694934
Energy: 0.4020876291129001
Energy: 0.4200357520568148
Energy: 0.41972071203502265
Energy: 0.8111221684515717
Energy: 0.7289245712511676
Energy: -0.8180019845719154
Energy: 0.7738901856061461
Energy: 0.6837330295644999
Energy: 0.7748987819594458
Energy: -0.3496531787526268
Energy: -0.6200475434073508
Energy: -0.05590393550156135
Energy: 0.7140679695686151
Energy: -0.6944457121635225
Energy: -0.05430076408329153
Energy: -0.036339223507214226
Energy: 0.7242907002744702
Energy: 1.0137798684442845
Energy: 0.008010927505588033
Energy: 0.7239515582407156
Energy: 1.0134687936951148

minimum gb energy = -1.5966098937828046 eV
minimum distance =  2.38360512221901 Angstroms
sigma value = 67


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

Energy: 1.1009369299348735
Energy: 0.5508925139295221
Energy: 0.5501157750403165
Energy: 0.629299151972428
Energy: -0.17132712143053783
Energy: 0.5515114627996072
Energy: -0.022871459858517743
Energy: 0.4469016888134814
Energy: 0.446182526191023
Energy: 0.4495686813340501
Energy: 0.45012543632124535
Energy: 0.4462718089189312
Energy: -0.004421548110994031
Energy: -0.06668457148805727
Energy: -0.14603303211776614
Energy: -0.03830357586154176
Energy: -0.07041396845374569
Energy: -0.03737407073194805
Energy: -0.004022486695432096
Energy: -0.15647889555176922
Energy: -0.1337251177139471
Energy: -0.04027976773414738
Energy: -0.039867639488849034
Energy: -0.042561841995709296
Energy: 0.5422346353222643
Energy: 0.4471065729235813
Energy: 0.4466075959664179
Energy: 0.44524239001089977
Energy: 0.45438006439509754
Energy: 0.44633341551421074
Energy: 0.5388841651512276
Energy: -0.013789745523173606
Energy: 0.44757598199354476
Energy: 0.4441827036099595
Energy: -0.02797011050677408
Energy: 0.44893372563232764
Energy: -0.02059018022318074
Energy: 0.4502401752157691
Energy: 0.4481772181501355
Energy: -0.09414823278451125
Energy: 0.4495724203311084
Energy: 0.44783934132921316

minimum gb energy = -0.17132712143053783 eV
minimum distance =  2.41563911938308 Angstroms
sigma value = 3


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

Energy: 0.41969379427097186
Energy: 0.49146758150133985
Energy: 0.2594075160428382
Energy: -1.2414886248464556
Energy: -2.1829611326644622
Energy: 0.2900879284282245
Energy: 0.4293512176286492
Energy: -1.8797476982454162
Energy: -1.9656134789046535
Energy: -2.2122978670089495
Energy: -1.9429150724306121
Energy: -2.289781560896779
Energy: -0.27269532175027533
Energy: -1.467219859445225
Energy: -1.48763057096114
Energy: -0.31676918679743604
Energy: -1.5633297133440196
Energy: -0.16012641699787492
Energy: 0.14909717087639807
Energy: -1.858030046687483
Energy: -1.9609460196983657
Energy: -0.39516276348795515
Energy: -1.5532063586860494
Energy: -0.20106273347087475
Energy: -0.2859415682632446
Energy: -1.128918086412092
Energy: -0.0744810181333084
Energy: -1.4383479004002777
Energy: -1.849674961106989
Energy: -1.6684954341128255
Energy: -0.18684896532805984
Energy: -0.9839808285666931
Energy: -0.946706761016019
Energy: -0.0512282350999466
Energy: -1.6216010866307704
Energy: -0.040370950104780826
Energy: -2.155027167656442
Energy: -2.188020148838303
Energy: -1.6248582731538648
Energy: -2.152173620164431
Energy: -2.1113665414677176
Energy: -1.8475110846426184
Energy: -1.351349748546854
Energy: 0.44019586235283154
Energy: 0.0042122276631434315
Energy: -1.1690622699419313
Energy: 0.43880568463360675
Energy: -0.07657175078694223
Energy: 0.7715893432773115
Energy: 0.5853199499588422
Energy: 0.5825826830100332
Energy: -0.6924999218557373
Energy: 0.5884034087591828
Energy: 0.5701685254612446
Energy: -0.4263976261813104
Energy: 0.09137087439017161
Energy: 0.08653424672751282
Energy: -0.17602694352870982
Energy: -0.5091445242824095
Energy: 0.11258358063299498
Energy: 0.036012337027331094
Energy: -1.9946801854438543
Energy: -0.5869201616012368
Energy: 0.8065471818165844
Energy: -1.1622719088895341
Energy: 0.2948036851042911
Energy: -0.8872447869625845
Energy: -0.3996174785528251
Energy: -1.031915391823454
Energy: -1.0357372828113023
Energy: -0.8249599127836817
Energy: -0.9187463455719351
Energy: -0.9289454133638063
Energy: -1.0143124465115918
Energy: -1.2054821283943622
Energy: -2.056350425352369
Energy: -0.9416114557131061
Energy: -2.4156848168310843
Energy: 0.7324098940433831
Energy: -0.8558660001152815
Energy: -2.115680151548262
Energy: 0.629068621379997
Energy: -1.2967984133796924
Energy: -1.792031337420571
Energy: -1.0284206593839849
Energy: 0.014410528929471204
Energy: -0.15132351420604237
Energy: -1.9379891263176525
Energy: 0.2716074684974654
Energy: -0.06030642928198906
Energy: -1.9999362746378497
Energy: -2.092016438211096
Energy: -2.199297135535532
Energy: -2.2302378860251015
Energy: -2.1764137577997635
Energy: -1.7716879617531
Energy: -0.14934925594517487
Energy: -0.8273862629194514
Energy: -1.5405887312702946
Energy: -1.635279939758318
Energy: -0.588200290975468
Energy: -0.7758065677856866
Energy: 0.8175711196020096
Energy: -1.4191065459313907
Energy: 0.6582178811002765
Energy: -1.7986752883096082
Energy: -1.2964572329909756
Energy: 0.6333920462457586
Energy: 0.5790945390086735
Energy: 0.006723701023608919
Energy: -0.31481693183531323
Energy: 0.12331936643287537
Energy: -0.21090074915607912
Energy: 0.12012730745223459
Energy: -2.0457004521777296
Energy: 0.01510744962597449
Energy: 0.00556028213078146
Energy: 0.12180057449729056
Energy: 0.03890914947220248
Energy: 0.11960570433377149
Energy: -1.9957855006881933
Energy: -1.7671844861256467
Energy: -2.0326533225932955
Energy: -1.8728335475473534
Energy: -1.6831581524236143
Energy: -2.2138847494443077
Energy: -1.2548730611530308
Energy: -2.4444266610074727
Energy: -1.696057443184675
Energy: -2.02277584348162
Energy: -1.8550941244490016
Energy: -1.9533625164916897
Energy: 0.4139165759095732
Energy: -1.8338494476441418
Energy: -2.500396695234078
Energy: -1.8167851425193027
Energy: -1.8464193543231062
Energy: -2.0264942515219433
Energy: 0.02188270834878933
Energy: -0.7962279743860199
Energy: -0.7854012754163644
Energy: -0.0749356896230766
Energy: -0.7897186486104766
Energy: 0.22621261222519526
Energy: -0.10950752821036534
Energy: -0.3084263864637
Energy: -1.8549983673828943
Energy: -1.5609422485816378
Energy: -1.9983308393021904
Energy: -1.2970477262664513
Energy: 0.6242589958593366
Energy: -1.8981125679744828
Energy: -2.202086848993402
Energy: -2.2552556393258225
Energy: -1.9911860501766863
Energy: -2.0665891773234852
Energy: -2.419911425457517
Energy: -1.7508442764982532
Energy: -2.4491137142346218
Energy: -2.3938727811815
Energy: -1.9742339727491394
Energy: -2.3622739779677575
Energy: -0.1112534716256188
Energy: -1.9760699794238512
Energy: -1.7083374772897388
Energy: -0.20600106501864282
Energy: -1.7823119503483367
Energy: -1.9090338331357979
Energy: -0.3271946530374081
Energy: -0.3848791275744693
Energy: -0.8656816779996451
Energy: -0.2954239223235274
Energy: -0.45246506374256207
Energy: -0.24979367341306638
Energy: 0.7802525101733007
Energy: -1.785679448742544
Energy: -1.8177604583509566
Energy: -2.298471866372046
Energy: 0.6514219124781387
Energy: -1.0854955846426657
Energy: -0.16188258176625442
Energy: -1.6362864414690712
Energy: -1.4755425525986485
Energy: -1.3829226748610821
Energy: -2.0673115472373333
Energy: -1.3771244079373326
Energy: -2.021560304971911
Energy: -1.6012492747852303
Energy: -1.7989105945045945
Energy: -1.3261418131230205
Energy: -1.850790021339552
Energy: -2.262295200974938
Energy: -1.8535053324498452
Energy: 0.4591737297634934
Energy: 0.4584220690405504
Energy: -1.0139634297086262
Energy: 0.32963287215438
Energy: -1.4135481831685852
Energy: 0.7536118344686106
Energy: 0.4545276304462958
Energy: 0.4542917513635086
Energy: -0.2769507649218714
Energy: 0.45554907522965876
Energy: 0.45154599330858897
Energy: 0.3866222947279749
Energy: -1.3029237540438363
Energy: -1.8878717453029
Energy: 0.4739598340617855
Energy: -1.5287727699900437
Energy: 0.6086489925314826
Energy: 0.03283860313924482
Energy: -0.8345729233640301
Energy: 0.1051976764221597
Energy: 0.13301395236555505
Energy: -0.3530554645405324
Energy: 0.10770676457139772
Energy: -1.7047062365750685
Energy: -2.1432137824806743
Energy: -2.162689677466661
Energy: -2.2488148223666475
Energy: -2.1156089327541485
Energy: -2.3417613975313643
Energy: -2.139934794133463
Energy: -1.4609175984434268
Energy: -0.5305902440672592
Energy: -2.253536310805764
Energy: -1.7519449567508933
Energy: -0.7940730362499334
Energy: 0.7495178744773742
Energy: -1.7422773883209084
Energy: -1.8469828372446648
Energy: -0.377624942073572
Energy: -1.0080349295533053
Energy: -1.8859101079582001
Energy: -1.4955731456481045
Energy: 0.05830356320876855
Energy: -0.6005760972970042
Energy: -1.173337282285259
Energy: 0.08112246639863105
Energy: -0.10391793408061382
Energy: 0.6176278164409552
Energy: -0.30317897870456656
Energy: 0.048550213910014836
Energy: -1.1540168640580584
Energy: 0.05610858835295758
Energy: 0.049780969439717805
Energy: 0.6103825628710581
Energy: -1.3684776374757768
Energy: -1.3788196792545668
Energy: 0.6479715425823529
Energy: -1.5288116671448961
Energy: -1.9163333992326708
Energy: 0.8350289354624552
Energy: -0.5795859530308043
Energy: -0.8750230293022145
Energy: 0.68899941493165
Energy: -0.6058087653952147
Energy: -0.3415084822930013
Energy: 0.47530059481908304
Energy: -1.7857888169973766
Energy: -1.944468925914612
Energy: 0.6238814047930238
Energy: -2.0603883330708768
Energy: -1.3413838066863177
Energy: 0.10416064717361387
Energy: 0.012875025264916325
Energy: 0.08905995649351565
Energy: 0.1017810392693258
Energy: 0.025971234577173014
Energy: 0.13347837536313154
Energy: -1.4082627341283143
Energy: -2.12207795626447
Energy: -1.122569373932578
Energy: -1.2386193209812522
Energy: -2.0909065726306957
Energy: -2.1838229540681935
Energy: -1.3008057802750865
Energy: -1.9859272688554093
Energy: -1.9872998140825393
Energy: -1.8946705989292567
Energy: -1.9600094318636299
Energy: -1.8278858202579704
Energy: -1.4748585454153322
Energy: -2.4297986988473035
Energy: -1.7853882465032307
Energy: -1.3796819410887233
Energy: -2.398550658225826
Energy: -1.6166470067346779
Energy: -0.08518091954267903
Energy: -1.1452381425953735
Energy: -0.1427604982099794
Energy: -0.15814274097365594
Energy: -1.5025457508892377
Energy: -0.6310005070332613
Energy: -0.8519769163021552
Energy: -0.7454392497871971
Energy: -0.7505040982106871
Energy: -0.14198791689936202
Energy: -0.742237942253909
Energy: 0.1829166256215873
Energy: 0.4297076395874432
Energy: -2.268328392788478
Energy: -2.006724895676985
Energy: -2.0231694762811494
Energy: -1.6788476507671966
Energy: -2.1556075295996133

minimum gb energy = -2.500396695234078 eV
minimum distance =  2.32592069492238 Angstroms
sigma value = 81


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

Energy: 0.43285484013317493
Energy: 0.18633962327126674
Energy: 0.09532530191277937
Energy: 0.12249405840611345
Energy: -0.04601196379313859
Energy: 0.08848666002327582
Energy: -1.1151943830131537
Energy: -0.5117083606876259
Energy: 0.14378587520412336
Energy: -0.2602649338055658
Energy: -0.5814741759701082
Energy: -0.2662095628547486
Energy: -0.16495059810708193
Energy: -0.630541640611884
Energy: -1.308795254646963
Energy: -0.33070163782119844
Energy: -1.249368209740265
Energy: -0.38617879150242895
Energy: -0.6601906773256155
Energy: -1.2818456361926065
Energy: -0.4975127223778286
Energy: -0.3175887332284448
Energy: -1.2472955299113777
Energy: -0.483629345870026
Energy: 0.051179819218107866
Energy: -1.0490536031459317
Energy: -0.4636372899548607
Energy: -0.06514711415403664
Energy: -0.31602872181841696
Energy: -1.0307160174029597
Energy: 0.020520132296094472
Energy: 0.05855532475001863
Energy: -0.3023152859657129
Energy: 0.05063006306172244
Energy: -1.2063719495875544
Energy: -0.22809121550204142
Energy: 0.6475231219713656
Energy: 0.04664778184157527
Energy: 0.6887838584292079
Energy: 0.2863210784003513
Energy: 0.014825234007728038
Energy: 0.04349563614474795
Energy: 0.5739538113322937
Energy: -0.10722504682267912
Energy: -0.38715951741674076
Energy: -0.2707459023732033
Energy: -1.0073920934202998
Energy: 0.01762313515760573
Energy: 0.6497307872913137
Energy: 0.6036249925980054
Energy: 0.6030332166915799
Energy: -0.5466497365555361
Energy: 0.6029559303247755
Energy: 0.6047415238170836
Energy: 0.39627717709833077
Energy: 0.1901048807905873
Energy: 0.22975861310422485
Energy: 0.374854120809496
Energy: -0.44932753848476453
Energy: 0.2467137890367415
Energy: 0.40075258090854426
Energy: 0.6140717953492507
Energy: -0.4652106136551153
Energy: -0.8642416629091038
Energy: -0.9227166966396158
Energy: -0.8345452119684784
Energy: -1.3201462345853112
Energy: -0.6781027775463794
Energy: -1.1008336727741208
Energy: -1.110253855872551
Energy: -0.7841757297223197
Energy: -0.5763816170037879
Energy: -0.5059065217060542
Energy: -0.5533023738180493
Energy: -0.684349384839585
Energy: -1.3347573998686795
Energy: -0.4797409098353355
Energy: -1.1671103650982662
Energy: 0.7651899789152785
Energy: -0.9701171451046332
Energy: -1.2775600708606436
Energy: -0.5469788414762858
Energy: -0.942795271329518
Energy: -0.9143211973154101
Energy: -0.6947560919284481
Energy: 0.2711659029226211
Energy: 0.175181749964116
Energy: 0.06347955827074654
Energy: 0.3178247608649845
Energy: 0.005512586788757485
Energy: 0.5856261221140887
Energy: -1.264314947800076
Energy: -0.879964280059234
Energy: -0.9464074427284807
Energy: -1.0034326746643962
Energy: -0.9336095960781795
Energy: 0.5932288370174387
Energy: -0.6569407169143717
Energy: -0.260177241438515
Energy: 0.5057509375653628
Energy: -1.270925902324127
Energy: -0.23845170765550963
Energy: 0.6744276018820824
Energy: 0.6503545075346022
Energy: 0.7395268719795577
Energy: 0.7247328182895872
Energy: -0.979763988104805
Energy: 0.7083401949165711
Energy: 0.7173570122523468
Energy: 0.7306158932868178
Energy: 0.511775657570591
Energy: 0.5099220437460477
Energy: 0.7449429359102557
Energy: 0.5123821249475846
Energy: 0.7173566944979355
Energy: 0.7249171833797404
Energy: -0.2889684999861021
Energy: 0.5235880506061812
Energy: 0.7337505879715708
Energy: -0.8669106128214646
Energy: -1.1965698216706553
Energy: 0.5668862589589209
Energy: -0.42688761812132775
Energy: 0.07935489657686642
Energy: 0.5270903679689725
Energy: -0.019850898039831536
Energy: -0.1958115244204303
Energy: -1.458886990591563
Energy: -1.210473500705995
Energy: -0.36305304855811477
Energy: -1.231122199900871
Energy: -1.1828780943041448
Energy: 0.7427474189790892
Energy: 0.576278876424618
Energy: -1.1054001115648993
Energy: -0.9811705381710014
Energy: 0.5628029472668572
Energy: 0.581528750860041
Energy: 0.04220153633733616
Energy: 0.21918316110422326
Energy: 0.22174611876188347
Energy: 0.1340358817984695
Energy: 0.20170737797576554
Energy: 0.16060273023671698
Energy: -0.006599934069733077
Energy: -0.8881961635355314
Energy: -0.8053645615932359
Energy: -1.226296227652617
Energy: -1.0077793052623167
Energy: -0.6580298208818652
Energy: 0.5706120282378203
Energy: -0.10946883448333147
Energy: -0.26510816564437684
Energy: -1.273152464320272
Energy: 0.7022214214082092
Energy: -0.14352913555984007
Energy: 0.57422999624055
Energy: 0.6032164418274737
Energy: 0.603462282009811
Energy: -1.2863710554826153
Energy: 0.6131215488184325
Energy: 0.6013246223186234
Energy: 0.43872118653644204
Energy: 0.6096283111487842
Energy: 0.6540999284116485
Energy: -0.7655509451837035
Energy: 0.6092578615404466
Energy: -0.6890316668724292
Energy: 0.386378482952272
Energy: 0.3200999507674822
Energy: 0.26829105155033606
Energy: 0.25154113694472335
Energy: 0.29435580723221366
Energy: 0.27144595834716656
Energy: 0.3246996591894722
Energy: -1.3097602025920663
Energy: -1.174755332121961
Energy: -0.3974655433593616
Energy: -1.267428022693494
Energy: -1.2540149635224027
Energy: -0.9043281452894822
Energy: -0.37902296500595634
Energy: -0.6668932412372048
Energy: -1.2040543949496352
Energy: -0.5371552257673791
Energy: -1.190896731236972
Energy: 0.3267367652091953
Energy: -0.43488095672925536
Energy: -0.7340002872542543
Energy: -0.4481474830969848
Energy: -0.3762788393608377
Energy: -1.1955378307008286
Energy: -1.1593311239003004
Energy: -0.9041362446780082
Energy: -0.9245900086677709
Energy: -0.7876940356484797
Energy: -0.20277139885252288
Energy: -0.497157923033057
Energy: -0.8009824187374183
Energy: -1.100034827819689
Energy: -0.7776907134399982
Energy: -1.1996959396158358
Energy: -1.2323566588401742
Energy: -1.213918586655282
Energy: 0.5278011765427428
Energy: 0.6148634017569808
Energy: -0.8748123652569526
Energy: 0.13160829605665364
Energy: -1.2457491362348316
Energy: 0.47937765762323037
Energy: 0.5500551897232658
Energy: -1.0191924104224137
Energy: -1.1502655967873086
Energy: 0.3880472198110764
Energy: -1.0927828892967684
Energy: 0.6203859563937667
Energy: 0.5886595285962558
Energy: 0.6222191911863767
Energy: 0.6226974401009712
Energy: 0.47614125044425276
Energy: 0.5225454898460707
Energy: 0.47543336785499024
Energy: 0.7645353961530359
Energy: 0.015005370209204288
Energy: 0.09577573931216285
Energy: 0.08318865925248038
Energy: 0.10178576881948811
Energy: 0.19676739697689652

minimum gb energy = -1.458886990591563 eV
minimum distance =  2.28584203435485 Angstroms
sigma value = 43


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

Energy: 0.8126726029779686
Energy: 0.763590692251528
Energy: 0.5597789972709931
Energy: 0.5501595644969132
Energy: 0.482703442091903
Energy: 0.13696199274383486
Energy: 0.4754799663754045
Energy: 0.37018181689440655
Energy: 0.613178803419666
Energy: -0.3946454332437122
Energy: 0.3707080162462049
Energy: 0.3192640157920258
Energy: 0.1249999175807291
Energy: -0.6366898166488069
Energy: -0.5795060823844712
Energy: -0.5530159013214856
Energy: -0.6057796687862238
Energy: -0.563809114520279
Energy: 0.1331953592149922
Energy: -0.4975778495404844
Energy: -0.6150655963969757
Energy: -0.14502253304800047
Energy: -0.5704384859047316
Energy: -0.5890729072656692
Energy: -0.29454237686636353
Energy: -0.3226073775308348
Energy: -0.3232873207409785
Energy: -0.26817655509782096
Energy: -0.32368639444360203
Energy: -0.32420093706530645
Energy: -0.2400022916825444
Energy: -0.32680496292236316
Energy: -0.32580682340230804
Energy: -0.32713446209471836
Energy: -0.26851968219871397
Energy: -0.3258755654141909
Energy: -0.2268649479897513
Energy: -0.2641224172936179
Energy: -0.32555768865721435
Energy: -0.3249264404289284
Energy: -0.3228783093858388
Energy: -0.32366292572736544
Energy: -1.1698652053121672
Energy: 0.14460820482102646
Energy: 0.14407877381289774
Energy: -0.6738762671700399
Energy: 0.1577390706551314
Energy: 0.3364147220288318
Energy: 0.5500055636311563
Energy: 0.17505609880596998
Energy: 0.18949417840607097
Energy: 0.4034621642536498
Energy: 0.17765470638196293
Energy: -0.6163223181305398
Energy: 0.47282396218692735
Energy: 0.03970289493015317
Energy: -0.321906288021999
Energy: 0.321854421432332
Energy: 0.5234777646555363
Energy: -0.4108842957503854
Energy: 0.12116760972216672
Energy: -0.3414000373141356
Energy: -0.09111248036431811
Energy: -0.3556351967061437
Energy: 0.4512205364588917
Energy: -0.06356627975775855
Energy: 0.46434574819449076
Energy: 0.21455853183179452
Energy: 0.2071559247233274
Energy: -0.30963906006393777
Energy: -0.3268336487413301
Energy: -0.31604645998927994
Energy: 0.46698998184400886
Energy: 0.1385057623598126
Energy: -0.5438085369689748
Energy: 0.3791245311554693
Energy: 0.4292053445144223
Energy: 0.45959074704629316
Energy: -0.8098010192581517
Energy: -0.3982146054718357
Energy: -0.3894697868472051
Energy: -0.17226305572691572
Energy: -0.4016217565721918
Energy: -0.42567427046305345
Energy: -0.008462187300113121
Energy: -0.2432412011428239
Energy: -0.2218010552478332
Energy: -0.12445460020562088
Energy: -0.25165440313445153
Energy: -0.22169878344139468
Energy: -0.1587731233307807
Energy: -0.25082500210473013
Energy: -0.3287824221976262
Energy: -0.3792732108756305
Energy: -0.3143011519479295
Energy: -0.1533039501765316
Energy: 0.06775671645534884
Energy: 0.0403307474531357
Energy: 0.0432389432790604
Energy: 0.05704014577836549
Energy: -0.1481589757665504
Energy: 0.034915050930124536
Energy: 0.0733295671679178
Energy: -0.9889705680687834
Energy: -0.562057227663979
Energy: 0.01279667168679139
Energy: 0.043501508804262276
Energy: 0.04927156827793979
Energy: 0.5387490605462498
Energy: 0.13110717990935608
Energy: 0.13561177380986586
Energy: -0.6042912233990552
Energy: 0.13089459693330172
Energy: -0.030422556174041847
Energy: 0.5360401345745018
Energy: 0.13073213960590685
Energy: 0.1330951046564441
Energy: -0.6034272570272268
Energy: 0.09972550133994292
Energy: -0.25334163004954047
Energy: 0.07124516387703934
Energy: -0.32801590977057826
Energy: -0.4583477171755751
Energy: -0.8313813670104664
Energy: -0.4150792095847046
Energy: 0.116344408877709
Energy: 0.39499504359987253
Energy: -0.32506638518480374
Energy: -0.12937947427232313
Energy: 0.3341756946080697
Energy: -0.6092581306980301
Energy: 0.35301968906696174
Energy: 0.4020312697675117
Energy: -0.868953025497319
Energy: -0.9279735192302505
Energy: -0.8952572743721421
Energy: 0.0486702380912508
Energy: -0.9422142952108082
Energy: -1.0049236777081936
Energy: -0.8318545847298762
Energy: 0.05924962470875688
Energy: -0.1188933733596449
Energy: 0.09486731437533683
Energy: 0.01718999531015086
Energy: 0.5197264931205537
Energy: 0.0046134194834263524
Energy: 0.060660684387545356
Energy: -0.152339875732933
Energy: 0.004261092218482846
Energy: 0.06191794778218913
Energy: -1.146292896496817
Energy: -0.17508180832228665
Energy: -0.18574753553533055
Energy: -0.18330501702641494
Energy: -0.17363251096889334
Energy: -0.18340726499912216
Energy: -1.2134079286472832
Energy: -0.38984576987383635
Energy: -0.1556915304818058
Energy: -0.9105863573069514
Energy: -0.1941110924638818
Energy: -0.22061562189825093
Energy: -1.1446049275088181
Energy: -0.17432632230948233
Energy: -0.41916096602194536
Energy: -0.19105639682582234
Energy: -0.1790553640628879
Energy: -0.42024118109689873
Energy: 0.15200012978163513
Energy: 0.24154957243109929
Energy: -0.5375379476295703
Energy: 0.3443479374324876
Energy: -0.6033839221469025
Energy: -0.5655582903505204
Energy: 0.14783608796026199
Energy: -0.1722299289139513
Energy: 0.11589995631269927
Energy: -0.3545715249686238
Energy: -0.1797687473592838
Energy: 0.23823554729897894
Energy: 0.626289793848579
Energy: -0.7293930390192429
Energy: 0.3645636442322044
Energy: 0.4689562907697931
Energy: -0.7970053600638762
Energy: 0.314533311854826

minimum gb energy = -1.2134079286472832 eV
minimum distance =  2.34453610639316 Angstroms
sigma value = 57


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

Energy: 0.7772274590919428
Energy: -0.19599824238069496
Energy: -0.19529042632170346
Energy: 0.32990641966928297
Energy: 0.34545224860474977
Energy: -0.19459761234442752
Energy: -1.7347512836461918
Energy: 0.2456347574379892
Energy: 0.24602966164808912
Energy: 0.07504828358074096
Energy: 0.25643833144054884
Energy: 0.2450220591460452
Energy: -0.1457114921769761
Energy: -0.26727468142111965
Energy: -0.2670211532067604
Energy: -0.3994750567254222
Energy: -0.2727145703375649
Energy: -0.26842159891112344
Energy: 0.5757730744208899
Energy: -0.2728057006022386
Energy: -0.27257511784749283
Energy: 0.07538432636175649
Energy: -0.2723388686517069
Energy: 0.2552813896923773
Energy: -1.6432150655228894
Energy: -0.4487523639676649
Energy: -0.4483566457105038
Energy: -0.4489921226715992
Energy: -0.44830522317628824
Energy: -0.4480622853789892
Energy: -0.3030493837796738
Energy: -0.44634693274175147
Energy: -0.44659401821865463
Energy: -0.4458235280108707
Energy: -0.44947742203952884
Energy: -0.4462903748722823
Energy: 0.5951302794974742
Energy: 0.2445970332143737
Energy: 0.24524580928678769
Energy: 0.2449558885904562
Energy: 0.07653266992801215
Energy: 0.24520565124124682
Energy: -0.8508590483718225
Energy: -0.40000442089223265
Energy: -0.3997531140439288
Energy: -1.3612771341375673
Energy: -0.4000994409856555
Energy: -0.1925859275081475
Energy: 0.5943802512486838
Energy: -0.19162563712639608
Energy: -0.1922980488575124
Energy: 0.26808526885769446
Energy: -0.19192292917639306
Energy: -0.3960915090186453
Energy: 0.349642150722687
Energy: -0.3002190844894123
Energy: -0.2905981385097216
Energy: 0.36169241724357715
Energy: -0.27406774707823445
Energy: 0.33682633742240037
Energy: -0.14445593993963843
Energy: 0.2171702661722076
Energy: -0.19140826141162115
Energy: -0.1913496411494367
Energy: 0.25468800898122695
Energy: -0.1911201962768094
Energy: -1.7608276516287946
Energy: -0.19245336249289882
Energy: -0.19245972121229285
Energy: -0.2728300676309348
Energy: -0.19148701333804538
Energy: 0.3879695139750552
Energy: 0.5764834180699323
Energy: -0.19104396023255613
Energy: 0.05197997431003704
Energy: 0.6444377352141716
Energy: -0.19073450150820845
Energy: 0.052273619764034183
Energy: 0.6300645924878326
Energy: 0.07377493051870247
Energy: 0.2461078272056387
Energy: -0.19105102642650484
Energy: 0.2469898284820954
Energy: 0.24529065578017847
Energy: -0.14291050262599034
Energy: 0.06231351093190733
Energy: 0.07797054617764947
Energy: -0.21790602989947294
Energy: -0.27362023752436215
Energy: 0.07231042240674795
Energy: 0.5763731419330369
Energy: 0.2443282973408621
Energy: 0.24529305722129408
Energy: 0.24514428845127384
Energy: 0.2453771756938933
Energy: 0.24500245846844293
Energy: -1.6000972292679303
Energy: -0.4479137570837743
Energy: -0.4482584140080421
Energy: -0.4491078897952367
Energy: -0.44613873570504164
Energy: -0.44787933157598475
Energy: -1.6264878377836796
Energy: -0.4461864243778492
Energy: -0.4470796408316215
Energy: -0.44672678019334117
Energy: -0.44752407706043845
Energy: -0.447615842568082
Energy: 0.5913621737435192
Energy: -0.4002519660136227
Energy: -0.3996678202104709
Energy: 0.2680803537216762
Energy: -0.19264935890925272
Energy: -0.3986878061956282
Energy: 0.3922536094346803
Energy: -0.40000020057796265
Energy: -0.3995765918065189
Energy: -0.40025267965147476
Energy: -0.39965732819639593
Energy: -0.39988707248044875
Energy: 0.586900836090783
Energy: -0.1883940530171544
Energy: -0.19166576984166084
Energy: 0.07448888216858753
Energy: -0.1922394803949279
Energy: 0.24649653608294383
Energy: -0.054230081504848586
Energy: 0.447585454471363
Energy: 0.4488824762583301
Energy: -0.04095521617066168
Energy: -1.02830734018412
Energy: 0.4496250666559327
Energy: 0.6300553991126582
Energy: -0.19144935094158844
Energy: -0.1910796687643467
Energy: -0.39943874262047846
Energy: -0.18926895051583253
Energy: -0.4006935625282605
Energy: 0.6091568104895461
Energy: -0.19112616797442358
Energy: 0.05248319110565028
Energy: 0.5998490745208177
Energy: -0.1908077945690549
Energy: 0.05231070441855923

minimum gb energy = -1.7608276516287946 eV
minimum distance =  2.37970099060282 Angstroms
sigma value = 17


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

Energy: 0.807451039703254
Energy: 0.48620521190368093
Energy: 0.4850466540405288
Energy: 0.36948258354998725
Energy: 0.2929993447937434
Energy: 0.3717383126430446
Energy: 0.4814171160918868
Energy: 0.2977545967081644
Energy: 0.3327018984181181
Energy: 0.3190889792156956
Energy: 0.30066164044095106
Energy: 0.333382475102444
Energy: 0.48805087739150477
Energy: 0.12279339399740208
Energy: 0.12346771246757676
Energy: 0.273814593196862
Energy: 0.12337371130541738
Energy: 0.12287443758799461
Energy: 0.5964298602869889
Energy: 0.14944061002195777
Energy: 0.14851216122404923
Energy: 0.2992049736038835
Energy: 0.27109544488456494
Energy: 0.2967079071365318
Energy: 0.619183356325144
Energy: 0.09085906778000315
Energy: 0.07688972570467402
Energy: 0.1285425198887065
Energy: 0.09033204435686727
Energy: 0.07665966404481142
Energy: 0.4158816019438718
Energy: 0.06154403157199948
Energy: 0.056322581756568804
Energy: 0.2350809689751075
Energy: 0.07740210090915454
Energy: 0.2025181475440025
Energy: 0.3085428815736521
Energy: -0.21817020815037522
Energy: -0.22266926633816722
Energy: -0.22149292643507779
Energy: -0.21590461089698673
Energy: -0.22037826926882978
Energy: 0.3672866077009883
Energy: -0.22260396219766335
Energy: -0.22039496018795987
Energy: -0.22127851645661373
Energy: -0.22085307549495906
Energy: -0.21827794039899862
Energy: 0.3700899847432716
Energy: -0.22047410329201683
Energy: -0.21896509981796725
Energy: -0.22011576968033583
Energy: -0.2214493941346017
Energy: -0.21952197835681633
Energy: 0.4550549365497522
Energy: 0.05686763872988368
Energy: 0.06219079655956521
Energy: 0.07614461948408897
Energy: 0.05694396697027593
Energy: 0.06075218131607251
Energy: 0.44917251712827805
Energy: 0.07673224190770155
Energy: 0.07732212424518588
Energy: 0.09017502085171324
Energy: 0.08988040191826142
Energy: 0.07709182251474142
Energy: 0.4380103127382443
Energy: 0.3009619184373665
Energy: 0.29734143765661214
Energy: -0.5306263815832375
Energy: 0.14806375274133457
Energy: 0.2965305769419361
Energy: 0.4589482739024099
Energy: 0.27158567548470636
Energy: 0.25320339031841327
Energy: -0.5287429479158237
Energy: 0.2733519849281438
Energy: 0.27283416344598965
Energy: 0.6675944348944591
Energy: 0.2534902846049389
Energy: 0.3667314226612614
Energy: 0.31422725905682036
Energy: 0.27360210112146466
Energy: 0.33387249534780994
Energy: 0.37613844702203886
Energy: 0.36594597369902915
Energy: 0.46817894113692027
Energy: 0.466113400337687
Energy: 0.3852390914898803
Energy: 0.46779714966113106
Energy: 0.6714836129249898
Energy: 0.2716575025413606
Energy: 0.33359375071919234
Energy: 0.2995472844301553
Energy: 0.27372890653936854
Energy: 0.3005218106267534
Energy: 0.5665741335087806
Energy: 0.27194839336452165
Energy: 0.42757365569106953
Energy: 0.3963593957179152
Energy: 0.2717266447406196
Energy: 0.4412271663634407

minimum gb energy = -0.5306263815832375 eV
minimum distance =  2.39274587703584 Angstroms
sigma value = 17


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

Energy: 0.5765992946739487
Energy: 0.511866299102737
Energy: 0.4048159661341943
Energy: 0.30816982223331113
Energy: 0.2864961456245026
Energy: 0.4039246499313626
Energy: 0.641979469968375
Energy: 0.2858643952632072
Energy: 0.2864174493662322
Energy: 0.07379929371574194
Energy: 0.28641721038735685
Energy: 0.284134950629
Energy: 0.6373279943511827
Energy: 0.15585256976072195
Energy: 0.11835446918892051
Energy: 0.3156246510984533
Energy: 0.16819720883486508
Energy: 0.11757836125397024
Energy: 0.6495762303793643
Energy: 0.09824198634418711
Energy: 0.09794150622300488
Energy: 0.30921882004221135
Energy: 0.17592580322080323
Energy: 0.0982813543652498
Energy: 0.6077380716139441
Energy: 0.11151961761356777
Energy: 0.11164322098305107
Energy: 0.10708091810442776
Energy: 0.09031038527430088
Energy: 0.11120774433590652
Energy: 0.5540488264388446
Energy: 0.09038337648711366
Energy: 0.1513549222339383
Energy: 0.1302234773612953
Energy: 0.09157884708056807
Energy: 0.15127029457190289
Energy: 0.45870637333606085
Energy: -0.15589031075471144
Energy: -0.1561575146404205
Energy: -0.15665357040633465
Energy: -0.1538211179280738
Energy: -0.15209740085442205
Energy: 0.46417983130499224
Energy: -0.05194060398700684
Energy: -0.15021665528508174
Energy: 0.11705426247695647
Energy: -0.051276475428851546
Energy: 0.17317347352899562
Energy: 0.6154664664717621
Energy: 0.20413263944938184
Energy: -0.08448298049843693
Energy: 0.15011621421676513
Energy: 0.2000780180669786
Energy: -0.15051924928195184
Energy: 0.44717628818902627
Energy: -0.18186957319749855
Energy: -0.18123894853307146
Energy: -0.09596549064453408
Energy: -0.1817243331306161
Energy: -0.1820585007446523
Energy: 0.46320662862564743
Energy: -0.18172668520238366
Energy: -0.18103255993974596
Energy: -0.1811828398583088
Energy: 0.02423250917740435
Energy: -0.18158422913311925
Energy: 0.39689473717935086
Energy: 0.015792153140905874
Energy: -0.08442594573514829
Energy: -0.17384313751827254
Energy: -0.08431994756882899
Energy: -0.08450979492353096
Energy: 0.5136979779221469
Energy: -0.042476869593657415
Energy: -0.1522588616888236
Energy: -0.7165211248690441
Energy: -0.15127011541345423
Energy: -0.15069307526145434
Energy: 0.455876661883063
Energy: -0.1560934394756706
Energy: 0.004409158632695352
Energy: -0.06289350477683446
Energy: -0.1563855734767977
Energy: -0.11667865612957055
Energy: 0.592576164328565
Energy: 0.11984088401886984
Energy: 0.131641669552877
Energy: 0.08993192478717933
Energy: 0.13003535205788136
Energy: 0.05876742038602163
Energy: 0.592784840652221
Energy: 0.09039030284503424
Energy: 0.09081406428194566
Energy: 0.09029572122059919
Energy: 0.24258681355298226
Energy: 0.11174738259381901
Energy: 0.46307610651865105
Energy: 0.11761789814353918
Energy: 0.10565298059111473
Energy: -0.2267969616847163
Energy: 0.14677481226439495
Energy: 0.1174703240910767
Energy: 0.6052534811543056
Energy: 0.25762470338629123
Energy: 0.2575861755109684
Energy: -0.05680397059944263
Energy: 0.24575982245033298
Energy: 0.13729743060452335
Energy: 0.6195429398375036
Energy: 0.2580324610971869
Energy: 0.28602282879177987
Energy: 0.11176997443861399
Energy: 0.15023565085733753
Energy: 0.28466152465166855
Energy: 0.6650331478229783
Energy: 0.3219978503848811
Energy: 0.32328975459665826
Energy: 0.25764978253645654
Energy: 0.3445604745118724
Energy: 0.3081050977641113
Energy: 0.6655530127781848
Energy: 0.2587848539881304
Energy: 0.2851413577439719
Energy: 0.13692328878315785
Energy: 0.2587943927571912
Energy: 0.2862288352077231
Energy: 0.5792672823868014
Energy: 0.3942676513685368
Energy: 0.36289221196312277
Energy: -0.13681322112831812
Energy: 0.3941155875010663
Energy: 0.16349225322302718
Energy: 0.6513223064936041
Energy: 0.3156601172593507
Energy: 0.32195962324869865
Energy: 0.2961289917875963
Energy: 0.3158480156708389
Energy: 0.28427149539068275
Energy: 0.6640604773639431
Energy: 0.2912309702212075
Energy: 0.32209269852010103
Energy: 0.1382387404558782
Energy: 0.29826148216209547
Energy: 0.3055641546211829
Energy: 0.6833059920951305
Energy: 0.19997166548305026
Energy: 0.11810156893425669
Energy: 0.24673530694321272
Energy: 0.22460176301999532
Energy: 0.09759369606127419
Energy: 0.6030758395339605
Energy: 0.08985954178298786
Energy: 0.0893843601983067
Energy: 0.31076515873542016
Energy: 0.11201863253453956
Energy: 0.11154527812751402
Energy: 0.47969885984688543
Energy: -0.0258165535604258
Energy: -0.027013436318845004
Energy: 0.15245774448363458
Energy: 0.09043833659638481
Energy: 0.3065539328498751
Energy: 0.4385868197715667
Energy: -0.7199220023755818
Energy: -0.6255631021065018
Energy: 0.2559902038166114
Energy: -0.7576144617410878
Energy: 0.2813823010843318
Energy: 0.5534392232451943
Energy: -0.1510778123112035
Energy: -0.1511610434618562
Energy: 0.03739655912967687
Energy: 0.15405919977901178
Energy: -0.1506915292612622
Energy: 0.4577418237363896
Energy: -0.005148982630425755
Energy: -0.15112248939468273
Energy: 0.08574961511750173
Energy: -0.004970668018267837
Energy: -0.1510742641057222
Energy: 0.4457010619919007
Energy: -0.1861177859394632
Energy: -0.18458141356716773
Energy: -0.1816182760795246
Energy: -0.18592775954272364
Energy: -0.17844424713922305
Energy: 0.5209433726639634
Energy: -0.18607132915049115
Energy: -0.18404537924312714
Energy: 0.38996550173250766
Energy: -0.1851770647393451
Energy: -0.18079257162592224
Energy: 0.5593501060265728
Energy: 0.15043274965672823
Energy: 0.16057849921121065
Energy: 0.2013450034607943
Energy: 0.1644022708915163
Energy: -0.42751186818815345
Energy: 0.4793402975666481
Energy: 0.15037815993550377
Energy: -0.1522329804753445
Energy: -0.14828840337821309
Energy: -0.11056197283859046
Energy: -0.15191735579909582
Energy: 0.4575344817918985
Energy: -0.15059123057098794
Energy: -0.15215230722394774
Energy: -0.038072780595399425
Energy: -0.14620450999561804
Energy: 0.002985580526442586
Energy: 0.6115901260940324
Energy: 0.14311229530508138
Energy: 0.057808224191375185
Energy: 0.09103980882059957
Energy: 0.15313497884320595
Energy: 0.0581146123854964
Energy: 0.6474348480862611
Energy: 0.059108057045866656
Energy: 0.0574118827778858
Energy: 0.09134226496051166
Energy: 0.05660561438463124
Energy: 0.09113021517623193
Energy: 0.4639882622772455
Energy: 0.10599789751980232
Energy: 0.08414519680418954
Energy: 0.09151273693664527
Energy: 0.09156591467958441
Energy: 0.10582965474937593
Energy: 0.651241904899129
Energy: 0.2796714436752752
Energy: 0.32098646436365375
Energy: 0.1483823056661899
Energy: 0.25796609247361857
Energy: 0.3194568042590502
Energy: 0.5936920341488938
Energy: 0.2583558943345183
Energy: 0.2581570087393673
Energy: 0.125466013284006
Energy: 0.2583877759797236
Energy: 0.28461633934190805
Energy: 0.6489705670362055
Energy: 0.17320652500146608
Energy: 0.3194313349597158
Energy: 0.07292517766844063
Energy: 0.17301925599676485
Energy: 0.3079980205854434
Energy: 0.6524025819227435
Energy: 0.32860806988733293
Energy: 0.29064646508211767
Energy: 0.13744425246465672
Energy: 0.32112122806927595
Energy: 0.3063235550599627
Energy: 0.6926572633348635
Energy: 0.25825325563559637
Energy: 0.2584652728925794
Energy: 0.3161155971172676
Energy: 0.25830134778831365
Energy: 0.28632813462094464

minimum gb energy = -0.7576144617410878 eV
minimum distance =  2.40112890456013 Angstroms
sigma value = 57


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

Energy: 0.5354771073262045
Energy: 0.32315396074275865
Energy: -0.06161076072023399
Energy: 0.26669330902490834
Energy: 0.32507696309252443
Energy: -0.09150160558820393
Energy: 0.6274992719842661
Energy: 0.24280304533147906
Energy: 0.2644351629192211
Energy: 0.23342138850892802
Energy: 0.26043635775629187
Energy: 0.24455206197227455
Energy: 0.7076082412423004
Energy: 0.1264209435666004
Energy: 0.09086142028701752
Energy: 0.3502042113504018
Energy: -0.17082848520177846
Energy: 0.0659121569118244
Energy: 0.6267795534564617
Energy: 0.21491608252522595
Energy: 0.03271184715924189
Energy: 0.2586527304956911
Energy: 0.2335549763468296
Energy: 0.03201948926476744
Energy: 0.6056113609469719
Energy: 0.018024300054313918
Energy: 0.017826402105177573
Energy: -0.01596402235796652
Energy: 0.01738192599718302
Energy: 0.01712665337085554
Energy: 0.5211999789411471
Energy: 0.01755049938770187
Energy: -0.16554699966865163
Energy: -0.018592948616588556
Energy: 0.02748310769486242
Energy: 0.01914734853021024
Energy: 0.543045394044305
Energy: 0.2304329289109624
Energy: 0.13363619666356122
Energy: 0.16852312695625452
Energy: 0.02699200821363742
Energy: 0.15033972006423607
Energy: 0.5427764387654086
Energy: -0.165038326598379
Energy: 0.21326994843809813
Energy: 0.05562359234994859
Energy: -0.16493885837424338
Energy: 0.26328415353753826
Energy: 0.5432648118714652
Energy: 0.21387378517591546
Energy: -0.12692269981523108
Energy: -0.3817014800318163
Energy: 0.20964870178189296
Energy: -0.35351948079427725
Energy: 0.598611511905662
Energy: -0.05365908904189332
Energy: -0.06465063341588195
Energy: 0.17617742430685224
Energy: -0.1549645897600241
Energy: -0.1809404072076405
Energy: 0.5244416545380147
Energy: -0.18067907352460794
Energy: -0.18045450837589805
Energy: -0.11386639741816725
Energy: -0.17836106706127777
Energy: -0.17995998633312876
Energy: 0.5322653749461542
Energy: -0.17874165560779104
Energy: -0.17697706167560293
Energy: -0.16966943210375615
Energy: 0.34008760943375177
Energy: -0.16883808052216048
Energy: 0.4295572050200737
Energy: 0.39451271907636215
Energy: -0.17916672286333238
Energy: -0.17691300143183278
Energy: -0.15745673754833486
Energy: -0.176393400073977
Energy: 0.5527790592674328
Energy: -0.16558364152312058
Energy: -0.16597920578434835
Energy: 0.42928392722083114
Energy: 0.1906420081015265
Energy: 0.3880730374395413
Energy: 0.5186924624834741
Energy: -0.1807927750896809
Energy: -0.17993416587172853
Energy: 0.3842897195494397
Energy: -0.08417483574806213
Energy: -0.18089161999495507
Energy: 0.5469007803073548
Energy: 0.14856671457528908
Energy: -0.07906706376225146
Energy: -0.03569324858561692
Energy: 0.143849285334767
Energy: -0.053783600796817835
Energy: 0.4208128704979979
Energy: 0.11523773234625168
Energy: -0.17587404925024672
Energy: -0.11561262397613467
Energy: 0.1595976040283388
Energy: -0.17355479430826964
Energy: 0.5362050351409645
Energy: 0.04978699580006762
Energy: -0.1759233877853064
Energy: 0.017007006595103857
Energy: 0.12676137070134086
Energy: -0.17392621198732403
Energy: 0.623537452634943
Energy: 0.16992456848977613
Energy: 0.2305992086031669
Energy: 0.052486685323083225
Energy: -0.025209124395338994
Energy: 0.17727434812092843
Energy: 0.6095522424395822
Energy: -0.07665795088315591
Energy: 0.15175280182847206
Energy: 0.01774744006086209
Energy: 0.15343469605753218
Energy: 0.017634949449891395
Energy: 0.5861963667156089
Energy: 0.01824933248171834
Energy: 0.018314848541886884
Energy: 0.01785568629938935
Energy: 0.22018786186085057
Energy: 0.017614471953541405
Energy: 0.5332099470478966
Energy: 0.2248788849132556
Energy: 0.07899084409483405
Energy: 0.15246581780963586
Energy: 0.21957891376604793
Energy: 0.07903492548799264
Energy: 0.6227295811630623
Energy: 0.22061316206904533
Energy: 0.23602800633340867
Energy: -0.032792270553874035
Energy: 0.23778830814107219
Energy: 0.22741359071307082
Energy: 0.6093149358287427
Energy: 0.07836916732447627
Energy: 0.24583552048295404
Energy: 0.017582149367390734
Energy: -0.028688994397952243
Energy: 0.10958239642818826
Energy: 0.7095336777111608
Energy: 0.0854872896769524
Energy: 0.29449907252636404
Energy: 0.3072500967499275
Energy: -0.05899284821096768
Energy: 0.14273854354445062
Energy: 0.642051044881771
Energy: 0.23301042556226884
Energy: 0.22222929624684878
Energy: 0.2504111222277402
Energy: 0.2317533427033829
Energy: 0.24470509103367122
Energy: 0.5366079019758332
Energy: 0.2363931481740581
Energy: 9.588704826371916e-05
Energy: -0.17530382215782525
Energy: 0.2264019765502784
Energy: -0.1645117740361682

minimum gb energy = -0.3817014800318163 eV
minimum distance =  2.33509980050757 Angstroms
sigma value = 43


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

Energy: 0.47066950496212345
Energy: 0.25120103736710303
Energy: 0.05117175633001993
Energy: 0.3251995022891717
Energy: 0.19013732928287153
Energy: 0.16388412807609698
Energy: 0.6536738386955492
Energy: 0.10021867908169202
Energy: 0.047773164221463264
Energy: 0.1014486038752243
Energy: 0.09891500070080939
Energy: 0.08400675378255049
Energy: 0.5843383432352487
Energy: 0.22347298484122374
Energy: 0.18516322662115822
Energy: 0.07814675520239567
Energy: 0.25249033879766736
Energy: 0.13819485717170277
Energy: 0.5949911604741301
Energy: 0.039952352615757414
Energy: 0.13209205501002605
Energy: 0.06387376120083947
Energy: -0.5457256507217348
Energy: 0.09417491371106547
Energy: 0.4589984405322977
Energy: 0.08953046328268402
Energy: 0.13681875550857797
Energy: 0.17824289592403958
Energy: 0.04517806274401381
Energy: 0.1157405618821621
Energy: 0.44772513320644786
Energy: 0.08416538047407797
Energy: 0.03544445947998434
Energy: 0.21788506322791584
Energy: 0.07493820769296351
Energy: 0.18683386519157005
Energy: 0.5656409704489843
Energy: 0.21804080887012994
Energy: -0.32166779165769865
Energy: 0.058073874500652004
Energy: 0.21747384960661142
Energy: 0.05885128133249397
Energy: 0.6387681978148034
Energy: 0.19579131270138941
Energy: -0.6153895447366877
Energy: 0.07470720124402949
Energy: 0.16266030342076823
Energy: -0.5989081460600615
Energy: 0.49465090972089415
Energy: -0.6622503525714114
Energy: 0.07893846351225108
Energy: -0.11054329785717104
Energy: 0.004989290354400894
Energy: 0.02449675489202849
Energy: 0.49841257066958433
Energy: 0.16516023520256698
Energy: 0.17223698728843778
Energy: 0.05379907578959327
Energy: 0.1813326735573382
Energy: 0.17328747558867072
Energy: 0.44341408115115793
Energy: 0.08640934671461216
Energy: 0.03523821616100639
Energy: 0.038052871597875675
Energy: 0.033530282793278694
Energy: 0.19081803240168543
Energy: 0.48059013992696503
Energy: 0.1464012716550489
Energy: 0.17298085483351006
Energy: 0.17074419009096953
Energy: 0.16087313876128326
Energy: 0.14490074682789195
Energy: 0.4801633852430096
Energy: 0.2749518013339254
Energy: 0.1270950878764358
Energy: 0.09238066435024246
Energy: 0.20770426018896604
Energy: 0.018350716235386623
Energy: 0.44981843426643975
Energy: 0.1144321234940618
Energy: 0.3059325377778354
Energy: 0.3283839710271066
Energy: 0.058853717777678206
Energy: 0.3054724366821344
Energy: 0.4470681448769881
Energy: 0.046554394897529654
Energy: 0.047215028105126004
Energy: 0.14397924307789242
Energy: 0.16290785412656947
Energy: 0.05432946844892281
Energy: 0.4446555106550256
Energy: 0.29597711424130124
Energy: 0.27477752449588505
Energy: 0.0468081752277205
Energy: 0.32385524673385935
Energy: 0.04738943581192179
Energy: 0.5112936053396288
Energy: 0.31605522313699846
Energy: 0.2770005358042473
Energy: 0.06246066261970664
Energy: 0.3242304263411207
Energy: 0.06247921052559165
Energy: 0.4429515190908374
Energy: 0.27551078503289084
Energy: 0.059408193410865985
Energy: 0.2910102273065291
Energy: 0.27347920442415724
Energy: 0.06273791640863045
Energy: 0.44513694897996936
Energy: 0.30500696798506943
Energy: 0.31359288472892455
Energy: 0.3253228344519435
Energy: 0.15161529914848268
Energy: 0.31321060759515673
Energy: 0.4427891101037937
Energy: 0.2721973814232315
Energy: 0.06412281661306597
Energy: 0.27517429478422945
Energy: 0.2730217178183207
Energy: 0.05912035944853835
Energy: 0.5157051949091846
Energy: 0.082181288458976
Energy: 0.2714395919933159
Energy: 0.05860173869441749
Energy: 0.14823088104645463
Energy: 0.05938933988442644
Energy: 0.4596711763633616
Energy: 0.18830024696084902
Energy: 0.1867213633821886
Energy: 0.06495659652320257
Energy: 0.17621347819609667
Energy: 0.0689843173017528
Energy: 0.45861074089566606
Energy: 0.07649985783277943
Energy: 0.06799761577162777
Energy: 0.15916797563728147
Energy: 0.19078310077878036
Energy: 0.07204926103594042
Energy: 0.4623659546597921
Energy: 0.17094559774280463
Energy: -0.4441414889123061
Energy: -0.4214824422768789
Energy: 0.06895076975130565
Energy: -0.4398997007177922
Energy: 0.44996144856628545
Energy: 0.19639782794151875
Energy: 0.08960213860081682
Energy: 0.19008255290570164
Energy: 0.18517963744193605
Energy: 0.0799990328666934
Energy: 0.45240125810549764
Energy: -0.2875189454351159
Energy: 0.18239933857931814
Energy: 0.21425335732673437
Energy: 0.021421672413727038
Energy: 0.19789601384552696
Energy: 0.4455746002213794
Energy: 0.03762450499189049
Energy: 0.07372698553099744
Energy: 0.09714670752114732
Energy: 0.03907363228023034
Energy: 0.1883090130076767
Energy: 0.4816953900152877
Energy: 0.057731986371634694
Energy: 0.06011540168993112
Energy: 0.17359338222033893
Energy: 0.0772337236003285
Energy: 0.060065962758706175
Energy: 0.5403651506552957
Energy: -0.05317434296420923
Energy: 0.08839102693232306
Energy: 0.10194777700161725
Energy: 0.10141548038948835
Energy: 0.09597501755766327
Energy: 0.6588549634630632
Energy: 0.20418655869407018
Energy: -0.5216243220595935
Energy: 0.04202614209386429
Energy: 0.18990405054487838
Energy: -0.5935628693959745
Energy: 0.6455257877099143
Energy: 0.20028312163456505
Energy: 0.08310204865943034
Energy: 0.14676246285580016
Energy: 0.19966963060571322
Energy: 0.08765647199596609
Energy: 0.4541419591949294
Energy: 0.11264001637658719
Energy: 0.07911715249165954
Energy: 0.22517899515860973
Energy: 0.1144538729692981
Energy: 0.18797875914660298
Energy: 0.4726207763462031
Energy: 0.13135140936248546
Energy: 0.1780415613302919
Energy: 0.18456500344969393
Energy: 0.12643333848076166
Energy: 0.10523778522352568
Energy: 0.645988060942399
Energy: 0.01620686278900936
Energy: 0.22403086100674505
Energy: 0.12231674334713159
Energy: 0.25219584343453555
Energy: 0.11611351834739958
Energy: 0.5891910382245639
Energy: 0.23151101306559396
Energy: 0.21590378179477146
Energy: 0.00806663086547239
Energy: 0.23523883742239327
Energy: 0.21516214962413596
Energy: 0.673479157419518
Energy: 0.15629376646817103
Energy: 0.15145834137376363
Energy: 0.10095724609355405
Energy: 0.12353193541086153
Energy: 0.08870204707062782

minimum gb energy = -0.6622503525714114 eV
minimum distance =  2.37898448235574 Angstroms
sigma value = 81


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

Energy: -0.03460663071396719
Energy: -0.005298199662191859
Energy: -0.03378401938186029
Energy: -0.03260097424833435
Energy: -0.031706440980106096
Energy: -0.03395466039880322
Energy: -0.0061408467645891205
Energy: -0.0336230460739378
Energy: -0.03353178583099985
Energy: -0.005559244398673364
Energy: -0.03089247193429246
Energy: -0.03371477963601327
Energy: -0.007300054110635097
Energy: -0.033775761016528814
Energy: -0.03389491813441118
Energy: -0.007234603405853962
Energy: -0.03374184878394396
Energy: -0.0067046907761154195
Energy: -0.030815369271113953
Energy: -0.03389833293762577
Energy: -0.03378146115906171
Energy: -0.02989191306670037
Energy: -0.033899174092783334
Energy: -0.0063457588784037525
Energy: -0.006801174320401224
Energy: -0.00706319400077293
Energy: -0.0068942687266608385
Energy: -0.005961932343672634
Energy: -0.007073780936130552
Energy: -0.005405315619700257
Energy: -0.03329489419480833
Energy: -0.033554114325109796
Energy: -0.033920389887218974
Energy: -0.03183906125353507
Energy: -0.03360898914116402
Energy: -0.03383289693632244
Energy: -0.004226331279500743
Energy: -0.03368915112342134
Energy: -0.033582547383501964
Energy: -0.00665753762790808
Energy: -0.033573652051203585
Energy: -0.03347311715528841
Energy: -0.004756586863989205
Energy: -0.03400998619601363
Energy: -0.03389472901498383
Energy: -0.006987443780856918
Energy: -0.03398814088479845
Energy: -0.006140536841423895
Energy: -0.03268948408297066
Energy: -0.03386930550458177
Energy: -0.005056019104712858
Energy: -0.032163883015648216
Energy: -0.03383668275526284
Energy: -0.005281205242675018
Energy: -0.03386893946680355
Energy: -0.007006713220164604
Energy: -0.006106981104072547
Energy: -0.0334489244560568
Energy: -0.00711440958111162
Energy: -0.006730204812808115

minimum gb energy = -0.03460663071396719 eV
minimum distance =  2.52930483750453 Angstroms
sigma value = 3


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

Energy: 0.3288487081587645
Energy: 0.37569701479947876
Energy: -0.4993019434517511
Energy: 0.28044568501699985
Energy: 0.37277905008609163
Energy: -0.562475935272215
Energy: 0.4986131106472523
Energy: 0.351262527554224
Energy: 0.34427549313305106
Energy: 0.3230538785131194
Energy: 0.35233419753101275
Energy: 0.32780349651677154
Energy: 0.38303475347281957
Energy: -1.0570585316950218
Energy: -0.8334213610796818
Energy: 0.3456863419519424
Energy: -0.8824113078395422
Energy: 0.34228913924267723
Energy: 0.4749257653033768
Energy: -0.9901495592426776
Energy: -0.7403844147163184
Energy: 0.41743146287173355
Energy: -0.5990821761138416
Energy: 0.33953438550611537
Energy: 0.3854269634541603
Energy: 0.34445611997749526
Energy: 0.34318438914065974
Energy: 0.3044458533843691
Energy: 0.3488665559563663
Energy: 0.32854961863670173
Energy: 0.33272749920833933
Energy: 0.35103472870573915
Energy: -0.5517118152845767
Energy: 0.3690687312243483
Energy: 0.34418594951919007
Energy: -0.7616196595689633
Energy: 0.4831058103334636
Energy: 0.43051598325602985
Energy: 0.34506056889157066
Energy: 0.48253278647859976
Energy: 0.3876704049938574
Energy: 0.38774265865603674
Energy: 0.4227675741736758
Energy: -0.6513913485567722
Energy: -0.9141899282957918
Energy: 0.4074531481238643
Energy: 0.3073308088384532
Energy: -0.8172479749317615
Energy: 0.3812929893494553
Energy: -0.5625637317381483
Energy: 0.31561012541990496
Energy: 0.3588118087013012
Energy: -0.9863219465998063
Energy: 0.34991837108250395
Energy: 0.3615646405160059
Energy: 0.35207314972944165
Energy: 0.351378953625492
Energy: 0.3452079848321029
Energy: 0.3860163273908847
Energy: 0.3439911742381362
Energy: 0.34891639403098934
Energy: 0.33654057777213997
Energy: -0.637401150466972
Energy: 0.3159212965799566
Energy: 0.3389957727965888
Energy: -0.6337422390305973
Energy: 0.4155085391964674
Energy: 0.35105106663855934
Energy: 0.3442311687235671
Energy: 0.41600412304713374
Energy: 0.35086641981167344
Energy: 0.3321680312513717
Energy: 0.4026600654889666
Energy: 0.3116385336864084
Energy: -0.6322114436194263
Energy: 0.40413071936414247
Energy: 0.31467372023035195
Energy: -1.0568032515690442
Energy: 0.3585360378854304
Energy: -0.9548591521632822
Energy: 0.3235507329393685
Energy: 0.34059427365526046
Energy: -0.9679440765068873
Energy: 0.3231871947523876
Energy: 0.3578985956448957
Energy: 0.3334714205970918
Energy: 0.3289343951762359
Energy: -0.6822363700119289
Energy: 0.3306679873678822
Energy: 0.326916042715903
Energy: 0.3536874276979419
Energy: 0.3078974453888124
Energy: 0.30342297468952145
Energy: 0.31959885676352845
Energy: -0.9482356227910359
Energy: 0.303999581207629
Energy: 0.3133451093210869
Energy: 0.31143673098394387
Energy: 0.3118654083886861
Energy: 0.313976676010417
Energy: 0.31178233006371203
Energy: 0.3203413134058497
Energy: 0.311129191534383
Energy: 0.3101009074545331
Energy: 0.305379309065068
Energy: 0.3122947916719164
Energy: 0.3345530034842782
Energy: 0.30592228673593996
Energy: 0.3509070976853576
Energy: 0.2956960397100408
Energy: 0.3030093658833957
Energy: 0.3117402893355945
Energy: 0.36609865578576956
Energy: 0.3042318269909651
Energy: 0.37133554348522996
Energy: 0.32713847158907844
Energy: 0.3280367298117777
Energy: -1.0631093953525634
Energy: 0.323097903962047
Energy: 0.32258096914711254
Energy: 0.369534042878041
Energy: 0.30399832165208046
Energy: 0.30321448566615095
Energy: 0.32522155465441466
Energy: -0.8301584103225019
Energy: 0.3083842515265101
Energy: 0.3237084409047424
Energy: 0.3035178962429417
Energy: 0.3197230320087495
Energy: 0.3290113787814791
Energy: 0.30010671194980054
Energy: 0.32561952038197467
Energy: 0.34674076389661074
Energy: 0.35539672177546777
Energy: 0.35435020167581804
Energy: 0.3462234256812513
Energy: 0.42442515943696335
Energy: 0.3526233158468439
Energy: 0.14341391768729903
Energy: -0.6840862176400512
Energy: -1.078893641718441
Energy: 0.4028434881250602
Energy: -0.6427055156762078
Energy: 0.38034008266027
Energy: 0.37993888921961055
Energy: 0.3350622041727415
Energy: 0.3334696132605877
Energy: 0.33912804531286045
Energy: 0.37623872873565134
Energy: 0.33347564750214004
Energy: 0.37690605454634957
Energy: -0.5338385237093766
Energy: -0.6278098069510806
Energy: 0.33822384966711644
Energy: -1.1604884459599036
Energy: 0.33926092060450636
Energy: 0.4078557771421384
Energy: -0.5448553469500396
Energy: -0.5223553400137075
Energy: 0.3985410968360649
Energy: -0.750637182311339
Energy: 0.34437841800530244
Energy: 0.3727615300279998
Energy: 0.3436969483543654
Energy: 0.3460259984157629
Energy: 0.36803014418915775
Energy: 0.34088386990326286
Energy: 0.35035573969593303
Energy: 0.3447640411984542
Energy: 0.352741831408406
Energy: -0.5925282613861279
Energy: 0.43921249750361113
Energy: 0.4001224373063372
Energy: -0.6031590870767294
Energy: 0.397141317262717
Energy: 0.34763853774547177
Energy: 0.3475468952389029
Energy: 0.38290834220218267
Energy: 0.4083269007637436
Energy: 0.349129460991526
Energy: 0.3570628117600262
Energy: 0.3218285463530811
Energy: -0.8728225469504659
Energy: 0.3463018083257406
Energy: -0.6843526949734035
Energy: -0.838372397234317
Energy: 0.37731123528148636
Energy: -0.6267574357111224
Energy: 0.3489934046474655
Energy: 0.35583376004850875
Energy: 0.3382152042985271
Energy: 0.3302993004119998
Energy: 0.3769119021143683
Energy: 0.362699225474068
Energy: 0.4223341550299913
Energy: 0.3733756586137748
Energy: 0.4165355051557498
Energy: 0.34039351378019816

minimum gb energy = -1.1604884459599036 eV
minimum distance =  2.36883992421586 Angstroms
sigma value = 67


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

Energy: 0.43168290991171343
Energy: -0.7857287646433018
Energy: -1.960104108002526
Energy: -0.8937155667357094
Energy: -0.9585200998717411
Energy: -2.7013454437219226
Energy: 0.6336198024956375
Energy: 0.5412995237991869
Energy: -0.7267894954360598
Energy: 0.40751775617286506
Energy: 0.5404289807640371
Energy: -1.2256228329727912
Energy: 0.5104797364748852
Energy: -1.8643891537271728
Energy: 0.36815442831784734
Energy: 0.3997613042507598
Energy: -1.670937132927088
Energy: -1.6109262892082246
Energy: 0.4608331600955032
Energy: -1.399494907580546
Energy: -1.1646232523251894
Energy: -1.6298898307589635
Energy: -1.597751549626193
Energy: -1.2688485573621568
Energy: 0.4608192412384132
Energy: 0.41504025564040076
Energy: -0.8590396712122338
Energy: -2.4087379414622165
Energy: 0.4137854016800627
Energy: -1.138090260946115
Energy: 0.35101703711921417
Energy: -0.8188386739224164
Energy: -1.5057798863577068
Energy: -1.7143359115932726
Energy: -0.77430291671381
Energy: -1.2377058465897348
Energy: 0.6152378814561048
Energy: -0.7296967420709995
Energy: -0.8001210570991579
Energy: 0.5006566106964895
Energy: 0.4149271000925152
Energy: -2.272199339413213
Energy: 0.48619405673340055
Energy: -1.1118121774128311
Energy: -1.1441947924826676
Energy: -1.2668146079623894
Energy: -1.056771455977079
Energy: -1.1822891042307628
Energy: 0.4510882687086679
Energy: -1.3152465561362534
Energy: -1.1831367704892053
Energy: -0.7987951904571471
Energy: 0.5171953666628711
Energy: -1.3329450053078589
Energy: 0.4498723058408098
Energy: -1.6181884239261968
Energy: -1.1884749141752564
Energy: -1.0852991533832559
Energy: -2.047010368189603
Energy: -1.2062633067177944
Energy: 0.4165014043965841
Energy: -0.914092482972217
Energy: -0.9135407814347853
Energy: -0.941769743364677
Energy: -0.8415480329706407
Energy: -0.8494480182000272
Energy: 0.5657661926957006
Energy: -1.0945189462156606
Energy: -0.7324942508065858
Energy: -1.0028362960015569
Energy: -1.125893099729773
Energy: -0.9987350540981489
Energy: 0.457139073504043
Energy: -0.8487472869621531
Energy: -0.9373577819253381
Energy: -0.9011821038234208
Energy: -1.3461128546008563
Energy: -0.9137388889280189
Energy: 0.4284130000125954
Energy: -0.8490287607808271
Energy: -0.8392204774240948
Energy: -0.972904020691035
Energy: -0.8782543202091968
Energy: -0.8450600769382128
Energy: 0.45876217905551403
Energy: -0.8476249213631657
Energy: -0.8370715212597187
Energy: -0.9120868774303971
Energy: -0.9763103932320404
Energy: -0.8369997628648255
Energy: 0.46045347709417256
Energy: -0.9818878162870048
Energy: -0.8774325922227424
Energy: -1.1308419389998745
Energy: -1.2372308312436981
Energy: -1.3580710672531893
Energy: 0.4609539255295609
Energy: -0.9558386417573478
Energy: -0.96458274634359
Energy: -2.052188287433398
Energy: -0.9614852217246989
Energy: -0.7260326220472217
Energy: 0.5794234661009701
Energy: -2.06694535171486
Energy: -0.7908422139931065
Energy: -2.0359117229592236
Energy: 0.41659262238546585
Energy: -2.0801309461515065
Energy: 0.3783056444768287
Energy: -1.0724789353781097
Energy: -1.4626055968199063
Energy: -1.2332600046422313
Energy: -0.8273358091041756
Energy: -1.0069519885200537
Energy: 0.4245571549712677
Energy: -2.333784333254753
Energy: -1.3912143852363517
Energy: -2.2657546666411497
Energy: -2.1236999145853104
Energy: -0.8151239394750873
Energy: 0.4226954787168478
Energy: 0.36866738618057904
Energy: -1.2170520553658823
Energy: -0.7915315496497579
Energy: -1.572726015701942
Energy: -1.5428375840478055
Energy: 0.5111299073960432
Energy: -1.7863635958281625
Energy: 0.37177939819386735
Energy: -0.7315010578457795
Energy: -1.1747042892311261
Energy: -1.1577809396022816
Energy: 0.6339934031219864
Energy: 0.48357246230437634
Energy: -0.8076732688014675
Energy: -0.8648744052517949
Energy: 0.5399012345133005
Energy: -0.8562984281730252

minimum gb energy = -2.7013454437219226 eV
minimum distance =  2.36905591381274 Angstroms
sigma value = 33


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

Energy: 0.31882677286978467
Energy: -0.17434997213710612
Energy: 0.47693217602083604
Energy: -1.0126689835123945
Energy: -2.188224986026538
Energy: -1.5177275531664167
Energy: 0.7387024146976041
Energy: -0.7829902151046303
Energy: -0.11485288823610636
Energy: -0.16988629184899012
Energy: 0.6423588487013903
Energy: -1.174777719992618
Energy: 0.7036542421385191
Energy: -0.34275729221017076
Energy: -0.33705002009731344
Energy: -2.3282580744013646
Energy: -0.9207156464280019
Energy: -0.26470761739290005
Energy: 0.638630167638678
Energy: -0.3485763504080545
Energy: -1.1014556533015551
Energy: -2.6091447871551807
Energy: -0.7996380317049958
Energy: -0.25705086179040376
Energy: 0.6419551120664561
Energy: -0.10990709252253732
Energy: -0.11066447289016053
Energy: -0.5930214010850255
Energy: -0.5858471626862736
Energy: -0.12457713576370519
Energy: 0.48777072004127175
Energy: -0.0791651006389641
Energy: 0.5116750151799737
Energy: -0.23780886974565502
Energy: -0.5792573576669359
Energy: -0.29518843426478847
Energy: 0.714056161727089
Energy: -0.3005247189995452
Energy: -0.31270187421242507
Energy: 0.5950035646686905
Energy: -0.21295594283439687
Energy: -0.2436783927431462
Energy: 0.6678661157691023
Energy: 0.5279193496566819
Energy: 0.5257706861590038
Energy: 0.5046076852246313
Energy: -0.07242583822029282
Energy: 0.5198995252204386
Energy: 0.5651735356608436
Energy: 0.526910629900219
Energy: 0.5280514881411936
Energy: -2.3435886799824535
Energy: -0.8654717667644855
Energy: 0.5251046381333397
Energy: 0.5655443991207275
Energy: -0.19732557882561225
Energy: 0.5116696233752805
Energy: -0.5819158312344762
Energy: -0.014540662557880406
Energy: 0.5166356775305404
Energy: 0.5419374313274453
Energy: 0.5112305341567762
Energy: 0.5127876011730653
Energy: -0.170784118363561
Energy: -0.16938332976439024
Energy: 0.5118264309873436
Energy: 0.5769145978153573
Energy: 0.5038838299124664
Energy: 0.536168936765709
Energy: -0.053535748487430104
Energy: -0.29465237282393403
Energy: -1.7632676376705003
Energy: 0.6315036353704301
Energy: 0.5098566507941946
Energy: 0.5105134059107097
Energy: -1.8024639582554847
Energy: -2.2895228459785417
Energy: -1.874850378614979
Energy: 0.5144084183329015
Energy: 0.5003939977289451
Energy: 0.5045260034369314
Energy: -0.14003815984178794
Energy: 0.49362814088826046
Energy: -0.1538184691955742
Energy: 0.5506051872017441
Energy: 0.5096272760377605
Energy: 0.5266737024671878
Energy: -0.8315344565712218
Energy: 0.5099824083608483
Energy: 0.5247273259957861
Energy: 0.5492749973280172
Energy: -0.2947587758244648
Energy: -0.29465584132018285
Energy: -0.772146384284869
Energy: -0.9476991225044546
Energy: -1.052906229750127
Energy: 0.7022600661001343
Energy: 0.5047212494915102
Energy: 0.49913084559728393
Energy: -0.12431471608518112
Energy: -0.29928837994980106
Energy: 0.49038330468423225
Energy: 0.6992269119001058
Energy: -0.9713605776685588
Energy: -1.1457026960740766
Energy: -2.6097504990913105
Energy: 0.6434696082337237
Energy: -0.13095124918160347
Energy: 0.4455664780617304
Energy: -0.4934549969722957
Energy: -0.33959667960616485
Energy: -0.33920373108070107
Energy: -0.06726987205278871
Energy: -0.44452900850274163
Energy: 0.7263032898627446
Energy: -0.6848397047932198
Energy: -2.1550611586068342
Energy: -0.29316560321514235
Energy: 0.6476623326151015
Energy: -1.1496461173894186
Energy: 0.7023476825520332
Energy: -0.3590907253553337
Energy: -0.26209330246449214
Energy: -2.338628535955085
Energy: -0.7625256412847381
Energy: -0.25819846515719336
Energy: 0.6333693535856568
Energy: -0.34205846365526643
Energy: -0.9298333998248395
Energy: -2.312899534685115
Energy: -0.2834114757269377
Energy: -0.2639309245040055
Energy: 0.6449307517286037
Energy: -0.11202175127134943
Energy: -0.30654426778571586
Energy: -0.13113177320667163
Energy: -0.6538385190218183
Energy: -0.92788605460699
Energy: 0.4860799537044432
Energy: -0.7680316572132393
Energy: 0.5133396469501826
Energy: -0.2386580800366358
Energy: -0.8589037178289322
Energy: -0.2823823862572075
Energy: 0.7160437464098203
Energy: -0.11121326577332914
Energy: -0.34284486382248275
Energy: -2.3194487865692657
Energy: -0.9919028791202383
Energy: -0.4292722596548667
Energy: 0.6690917231275079
Energy: 0.528765591556608
Energy: 0.527087087959584
Energy: 0.502507850570021
Energy: 0.4975488718603159
Energy: 0.525042915862815
Energy: 0.5639159443769293
Energy: 0.5295139540675945
Energy: 0.5277549286129367
Energy: -2.320562780152419
Energy: -1.9964787394463468
Energy: 0.5249948615917703
Energy: 0.5664825378858993
Energy: -0.07246835747146399
Energy: -0.07403477223477091
Energy: -0.5962435253829456
Energy: -0.14903770702724756
Energy: 0.5070218105068736
Energy: 0.5402632843930643
Energy: -0.5940573377676875
Energy: -1.8010221088993446
Energy: -0.057004720158894094
Energy: -0.2062152503424769
Energy: -1.7370747229011103
Energy: 0.5772358775600331
Energy: -1.8457040642727616
Energy: -1.844133993917329
Energy: -0.05659384246237586
Energy: -1.012366493190317
Energy: 0.5023990936335775
Energy: 0.6379279056688362
Energy: 0.5115985127798868
Energy: 0.5217710017984657
Energy: -1.91776344958343
Energy: -2.3254093235040356
Energy: -1.7445236956466224
Energy: 0.516223674496791
Energy: 0.5197680910411397
Energy: 0.5223349958296022
Energy: -0.1909878839919583
Energy: 0.49428456868277976
Energy: 0.5276697710289767
Energy: 0.547063785609005
Energy: 0.5112533029200604
Energy: 0.5252047550958743
Energy: -0.21832687324046968
Energy: 0.5111248206086021
Energy: 0.5274930258040489
Energy: 0.67317763485484
Energy: -0.2956493900335138
Energy: -1.2303543463466917
Energy: -0.9488006625727758
Energy: -1.9896866605766867
Energy: -1.2898242773753217
Energy: 0.697855238211103
Energy: 0.5046475180186022
Energy: 0.4984139197494661
Energy: -0.6344819676057265
Energy: -0.23023391562499157
Energy: 0.48972156206157724
Energy: 0.7940085703847122
Energy: -1.2347739730217235
Energy: -0.8683873823154928
Energy: -2.318684616056225
Energy: -1.3503968585560848
Energy: -1.12821842340055
Energy: 0.44583480496206834
Energy: -0.15816038498048568
Energy: 0.4709677022310212
Energy: -0.4005460714823028
Energy: -0.05320022852922975
Energy: -1.2295844138372063

minimum gb energy = -2.6097504990913105 eV
minimum distance =  2.36336435630598 Angstroms
sigma value = 41


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

Energy: 0.7277206148271769
Energy: 0.6706771423042878
Energy: 0.6719227989864898
Energy: 0.6503665703816297
Energy: -0.9266882180478203
Energy: 0.6729721327369794
Energy: 0.8089935936971879
Energy: 0.8125455228380176
Energy: -0.02052822801864049
Energy: -0.0051771858216013225
Energy: 0.8143085638234461
Energy: 0.0011074010024607907
Energy: 1.0251048302861365
Energy: 0.6690464901766874
Energy: 0.6672749020387058
Energy: 0.7579297998138133
Energy: 0.6705819668901715
Energy: 0.6672788444529971
Energy: 0.870411115014477
Energy: 0.6665665981870298
Energy: 0.6654232916955369
Energy: 0.7574667376843478
Energy: -0.05800100326914365
Energy: 0.6994776674359069
Energy: 0.7390717812741231
Energy: 0.6913506041158628
Energy: 0.691888862638045
Energy: 0.015646414997542966
Energy: 0.6719568639754319
Energy: 0.6928211558145454
Energy: 0.712215203728099
Energy: 0.6727934413395356
Energy: 0.6731451227592523
Energy: 0.6488055800419402
Energy: 0.673069262051741
Energy: 0.6709000287510514
Energy: 0.8234300753104544
Energy: 0.71642864355611
Energy: 0.7070101937769847
Energy: 0.7250542185179141
Energy: 0.7186074487173861
Energy: 0.6952095378024565
Energy: 0.8509693850063497
Energy: 0.6868045458393988
Energy: 0.6849315221112496
Energy: 0.678957013230408
Energy: 0.6878085765310359
Energy: 0.6733709846657678
Energy: 0.7363991966054126
Energy: 0.6865242298743087
Energy: 0.6937360449817319
Energy: 0.6621131635872802
Energy: 0.6740180027482878
Energy: 0.6942286338409882
Energy: 0.7418431493225648
Energy: 0.6876156830321237
Energy: 0.6853331770242028
Energy: 0.6796221210727169
Energy: 0.6887203510684619
Energy: 0.6853045816126947
Energy: 0.7401326435101615
Energy: 0.698264030004051
Energy: 0.7021550014112523
Energy: 0.6864345933802475
Energy: 0.6615780725763871
Energy: 0.6841997972345035
Energy: 0.9722968964059784
Energy: 0.6629941975314952
Energy: 0.662200749730109
Energy: 0.6815860317936203
Energy: 0.6630132628282558
Energy: 0.6611986997563664
Energy: 0.9729519979851825
Energy: 0.34995876789763386
Energy: -0.9283011577451398
Energy: 0.6873068047951076
Energy: 0.683178257384747
Energy: 0.6856233254381784
Energy: 0.6845167743622027
Energy: 0.6868036851851562
Energy: 0.6613588098550008
Energy: 0.6402000646864608
Energy: 0.687331516621429
Energy: 0.661106584386801

minimum gb energy = -0.9283011577451398 eV
minimum distance =  2.37764553319744 Angstroms
sigma value = 11


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

Energy: 0.880037488210669
Energy: 0.9529149839634423
Energy: 0.8316660147362277
Energy: 0.3174667281814683
Energy: -0.33995790667703907
Energy: 0.9074718885990775
Energy: 1.117110851101158
Energy: -0.14209142138609537
Energy: -1.9132768310681354
Energy: 0.740938541225995
Energy: -0.48624268583470454
Energy: 0.7617638710138249
Energy: 1.1935961513253206
Energy: 0.8188601463844022
Energy: 0.8178515180116281
Energy: 0.8237497292537955
Energy: 0.8204221746115529
Energy: 0.8209509191447081
Energy: 0.9015610723797626
Energy: 0.8226677027114956
Energy: 0.7963043293492647
Energy: 0.7887362346736377
Energy: 0.8235647403905308
Energy: 0.7954984114398357
Energy: 0.9166444499467278
Energy: 0.8290854555669938
Energy: 0.8285028419817178
Energy: 0.47037942636167374
Energy: 0.8119522016727801
Energy: 0.8284248648046308
Energy: 0.9021600755861535
Energy: 0.8313025528203477
Energy: 0.8314581698488939
Energy: 0.8282061241378836
Energy: 0.8311850817943693
Energy: 0.8324120601400014
Energy: 0.9313675317169691
Energy: 0.8295295797165978
Energy: 0.8326607435767361
Energy: 0.8282626534789513
Energy: 0.8263474342652696
Energy: 0.8232202101219668
Energy: 1.0211305761827318
Energy: 0.8286467598060633
Energy: 0.82844767676774
Energy: 0.7755665955809263
Energy: 0.8200610037834548
Energy: 0.8287657923618847
Energy: 0.8940868596832348
Energy: 0.8232991961770345
Energy: 0.8217074956700957
Energy: 0.8249372734388959
Energy: 0.8264123127751841
Energy: 0.82316185640056
Energy: 0.8922764466453516
Energy: 0.793871527985991
Energy: 0.7945246110957148
Energy: 0.8246733532152852
Energy: 0.7869054515562637
Energy: 0.8232725071800583
Energy: 0.9763980106493607
Energy: -0.39527105615318947
Energy: -0.785870279905689
Energy: -0.6567424731806946
Energy: 0.5127443996546358
Energy: 0.8315010082568618
Energy: 0.9136100974376035
Energy: -0.5311647974154778
Energy: 0.7983104663515038
Energy: -1.3225135342235952
Energy: 0.800257572010205
Energy: -0.013999796973061225
Energy: 0.915268415450203
Energy: 0.4347891829462146
Energy: 0.7936990629939875
Energy: 0.8173449937948223
Energy: 0.4624785973734421
Energy: -0.49584960868971034
Energy: 0.8893838189556401
Energy: 0.8279419331933512
Energy: 0.8280051588085097
Energy: 0.8217074711479898
Energy: 0.8188174954922008
Energy: 0.8278167426487913
Energy: 0.9166994231428883
Energy: 0.8304490226395619
Energy: 0.8281789784367805
Energy: -0.8473941269469661
Energy: 0.8286238803504445
Energy: 0.8275779764111736
Energy: 0.9733212869388083
Energy: 0.8312232434413698
Energy: 0.8299579356058159
Energy: 0.7520970343167628
Energy: 0.8288255364657339
Energy: 0.8299637281918115
Energy: 0.9578754382829083
Energy: 0.8306948802853045
Energy: 0.8294009891825854
Energy: 0.8426800239892493
Energy: 0.8304867653746072
Energy: 0.8293929163722976
Energy: 0.8782348769312177
Energy: 0.794994806934364
Energy: 0.8353772771677465
Energy: 0.8457194952517118
Energy: 0.796300972108939
Energy: 0.8393226112330746
Energy: 0.9242125817869333
Energy: 0.8301780175164433
Energy: 0.8293937510874425
Energy: 0.793389525332655
Energy: 0.8292306374701185
Energy: 0.8289189173894188
Energy: 0.9086780259148103
Energy: 0.8184246970978668
Energy: 0.8177904261563028
Energy: 0.8192314987038297
Energy: 0.8207091313510894
Energy: 0.8027854075618138
Energy: 1.073132314756294
Energy: 0.8234830719557386
Energy: 0.7524124222762887
Energy: 0.0021397504577653943
Energy: -1.3366995832747328
Energy: 0.7971754634249607
Energy: 0.9410594469274055
Energy: 0.7964647081111679
Energy: 0.794929087472385
Energy: 0.7716370696162453
Energy: -0.01809390084828709
Energy: 0.7571150506353443
Energy: 0.875222142545418
Energy: 0.8375306776615203
Energy: 0.811082333455239
Energy: 0.8110587031840751
Energy: 0.8389399338294705
Energy: 0.8334706081727227
Energy: 1.0985173737115639
Energy: 0.5109799882186841
Energy: 0.8296928902522304
Energy: 0.8056644501644505
Energy: 0.8618316732158178
Energy: 0.8301987145809268
Energy: 0.9428322031862011
Energy: 0.8594043758027714
Energy: 0.844002620553063
Energy: 0.7247087695294613
Energy: 0.833511687623918
Energy: 0.8271801295289757
Energy: 0.9113019484250101
Energy: 0.0797329214952078
Energy: 0.8282446977439938
Energy: 0.8301289196410394
Energy: -0.39660898232869324
Energy: 0.8284845299947738
Energy: 0.9149759784991129
Energy: 0.8304100528292182
Energy: 0.8296903107914808
Energy: 0.8278345443941113
Energy: 0.8123225848608175
Energy: 0.8292465249289889
Energy: 0.910108257001079
Energy: 0.8433420536640976
Energy: 0.8276029907573714
Energy: 0.8279280689294094
Energy: -0.372503482806597
Energy: 0.8272980756763478
Energy: 0.9237362129951928
Energy: 0.823069562964708
Energy: 0.822162871943828
Energy: -0.5756494723993488
Energy: 0.821582706126883
Energy: 0.8211910838182437
Energy: 1.1911125100487476
Energy: 0.7656538907812879
Energy: 0.8495228078645332
Energy: 0.7345384464203975
Energy: 0.7737947627337531
Energy: 0.8305104692162745
Energy: 0.8572737954573227
Energy: 0.8455208785615865
Energy: 0.8420013597217122
Energy: 0.8054115286018907
Energy: 0.850065385084269
Energy: 0.8418677894014296

minimum gb energy = -1.9132768310681354 eV
minimum distance =  2.34875362133881 Angstroms
sigma value = 57


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

Energy: 1.638013726074179
Energy: 0.958243482760093
Energy: 0.9547540602246923
Energy: 0.9547262578832992
Energy: 1.0178489655182255
Energy: 0.9533365489671415
Energy: 1.0710464399681843
Energy: 0.964770391948889
Energy: 0.9649705194541592
Energy: 0.9631099534567494
Energy: 0.9662053676065807
Energy: 0.9238723430175695
Energy: 1.2135241230532097
Energy: 0.9041277918279036
Energy: 0.9030937667890316
Energy: 1.0165257253761018
Energy: 0.905589974664862
Energy: 0.9671414932597712
Energy: 1.0516239148121609
Energy: 0.9246670683231071
Energy: 0.92372853229813
Energy: 0.9646701694592038
Energy: 0.9094495203650954
Energy: 0.9231137655922655
Energy: 1.0225622083872343
Energy: 0.9245685661504364
Energy: 0.9217560094702486
Energy: 0.9634901443235775
Energy: 1.0173412113295561
Energy: 0.9206574174928044
Energy: 1.050879915742608
Energy: 0.9691933743235036
Energy: 0.924532147124824
Energy: 0.9270373113425517
Energy: 0.9632562904855525
Energy: 0.9234794438890341
Energy: 1.0683206289368612
Energy: 0.9111471395742498
Energy: 0.9090616490859946
Energy: 0.9697372066095526
Energy: 0.9097231586383328
Energy: 0.9224798228517863
Energy: 1.1967183097552587
Energy: 0.9268463786933611
Energy: 0.9226937108115252
Energy: 0.9639813825290028
Energy: 0.9272074595364815
Energy: 0.9231900216588754
Energy: 1.089240476357668
Energy: 0.9654566863927434
Energy: 0.910143817939479
Energy: 0.9115544828629326
Energy: 1.0151142625684173
Energy: 0.9092100671128631
Energy: 1.08983785243335
Energy: 0.9655049337426397
Energy: 0.9102732470878229
Energy: 0.9113556963528214
Energy: 1.0155388658814795
Energy: 0.9093330177149409
Energy: 1.1962938986418117
Energy: 0.9242842840035539
Energy: 0.9238216815730149
Energy: 0.9639969278800636
Energy: 0.9270965383149818
Energy: 0.9245866022769629
Energy: 1.0520101829839617
Energy: 0.9035046742189615
Energy: 0.9027865393154729
Energy: 1.0155880149816594
Energy: 0.9053042220638128
Energy: 0.9659380518439541
Energy: 1.0520653267902271
Energy: 0.9636936217496316
Energy: 0.9246240271042238
Energy: 0.9665401783151061
Energy: 0.964828144829348
Energy: 0.9210741451996922
Energy: 1.0514846786676835
Energy: 0.9240197453101345
Energy: 0.9223683122879028
Energy: 0.926987855549779
Energy: 0.9942303449858935
Energy: 0.9226161192306751
Energy: 1.0183790655188834
Energy: 0.9090524347976684
Energy: 0.9204481291470473
Energy: 0.9280966801167565
Energy: 0.9094220574176128
Energy: 0.9200614306034393
Energy: 1.2006284804988585
Energy: 0.9114702497435407
Energy: 0.9103063187666321
Energy: 0.9263393103103147
Energy: 0.9084214986579527
Energy: 0.9231267594903209
Energy: 1.0681489884518793
Energy: 0.9665165235710192
Energy: 0.9655631508066552
Energy: 0.9465551060508302
Energy: 0.965990740163974
Energy: 0.9251265595732372

minimum gb energy = 0.9027865393154729 eV
minimum distance =  2.35843954245522 Angstroms
sigma value = 9


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

Energy: 1.1061737418448985
Energy: 0.9412648966782713
Energy: 0.9617096268706157
Energy: 0.41986098632370944
Energy: 0.12023283143036222
Energy: 0.9611470667198208
Energy: 1.1821338672386095
Energy: 0.8476594522574812
Energy: 0.9324157204965073
Energy: -1.107424322204531
Energy: 0.8993273334521903
Energy: 0.9096563925433613
Energy: 1.0670267961441837
Energy: -0.029871386647448386
Energy: 0.8962364479268433
Energy: 0.9538181372025321
Energy: -0.02200621331899351
Energy: 0.8619379409909966
Energy: 1.0384107886073393
Energy: 0.9001018450118932
Energy: 0.2406998398144342
Energy: 0.8388253742933223
Energy: 0.9215701432826221
Energy: 0.8852373150403567
Energy: 0.9965672333123745
Energy: 0.9078421022733717
Energy: 0.9316317163505987
Energy: -0.708354921690141
Energy: 0.9132598668692136
Energy: 0.86973188593932
Energy: 0.9966424702591676
Energy: 0.8209157493584177
Energy: 0.9093786539707522
Energy: 0.7723911272038789
Energy: 0.9061365718649885
Energy: 0.9095348947591871
Energy: 1.0498102248795371
Energy: 0.8824342734538023
Energy: 0.9517030634500139
Energy: 0.2842159483406429
Energy: 0.9138795872562505
Energy: 0.9531739395318846
Energy: 1.1319123054741538
Energy: 0.863463466462664
Energy: 0.8427692734262126
Energy: 0.9203928802454135
Energy: 0.8991251574436233
Energy: 0.8904944475105637
Energy: 1.0975109631470619
Energy: 0.8924815908603196
Energy: 0.9038281620277371
Energy: 0.920416669164664
Energy: 0.9011645643059657
Energy: 0.8718157686209491
Energy: 1.0996124984969082
Energy: 0.8434859990614982
Energy: 0.8427648014444004
Energy: 0.952777856951002
Energy: 0.8687046316199494
Energy: 0.8588121508067084
Energy: 1.1282451725993587
Energy: 0.9148857169460511
Energy: 0.9554507145665776
Energy: 0.6677955545267655
Energy: 0.926844044307446
Energy: 0.8847094224357706
Energy: 1.0640793420635832
Energy: 0.6827959563102555
Energy: -0.9416080476357135
Energy: 0.8930935479348221
Energy: 0.6853666241924707
Energy: 0.908905411583779
Energy: 1.0170138323681386
Energy: 0.8247462142568042
Energy: 0.9169929464814629
Energy: 0.9661003318825323
Energy: 0.7468192792461619
Energy: 0.8830134567057869
Energy: 1.1595609438920729
Energy: 0.5310597236440391
Energy: 0.8884853635872927
Energy: 0.9640088239860328
Energy: 0.8915122709153565
Energy: 0.961341808940548
Energy: 1.061124244687535
Energy: -0.726812565124776
Energy: 0.7154535836668561
Energy: -1.1037296503661536
Energy: 0.8997681453079963
Energy: 0.9423876607110344
Energy: 1.0113253724921971
Energy: 0.8751913794129046
Energy: 0.8613651729996086
Energy: -0.9946243504084139
Energy: 0.8800216653715895
Energy: 0.858273583977758
Energy: 1.000259461202222
Energy: 0.28986346921350414
Energy: 0.289966401931376
Energy: 0.8589868384352937
Energy: -0.9514249578641972
Energy: 0.848395086625684
Energy: 1.0094290276042135
Energy: 0.8954177282416683
Energy: 0.8453887411006079
Energy: 0.2691781482085724
Energy: 0.8289266258401756
Energy: 0.9312977980734857
Energy: 1.0483816177850334
Energy: 0.7309037570742098
Energy: 0.7267584574757918
Energy: -0.9129789193790372
Energy: -0.8371357634887129
Energy: 0.8572701644362785
Energy: 1.0673232574139984
Energy: -0.19543065143710156
Energy: 0.9053873743696389
Energy: -0.14067319112591595
Energy: -0.21829492805364578
Energy: 0.8995156793780824
Energy: 1.0934080245207785
Energy: 0.933386371798317
Energy: 0.9320355290661183
Energy: 0.9279553679307251
Energy: 0.904542898595701
Energy: 0.9618298270595138

minimum gb energy = -1.107424322204531 eV
minimum distance =  2.33187128163352 Angstroms
sigma value = 27


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

Energy: 1.759802981535359
Energy: 1.005007886388964
Energy: 0.9604847356071012
Energy: 0.9224068613856874
Energy: 1.3663502970696229
Energy: 1.0540924698995553
Energy: 1.1663954089065327
Energy: 0.1364073530017349
Energy: 0.9488198364999104
Energy: 0.9329493597826504
Energy: 0.32116283350252983
Energy: 0.9197022913627989
Energy: 1.1915558941511455
Energy: 1.0292855155407155
Energy: 0.953648729149105
Energy: 0.8890761506533974
Energy: 0.9718897336806648
Energy: 0.8640502082533326
Energy: 1.2079454514992893
Energy: 0.9164371711900714
Energy: 0.987633369158514
Energy: 1.0143286127246058
Energy: 0.9061745759381903
Energy: 0.939060044899221
Energy: 1.0705229406259282
Energy: 0.962870369230664
Energy: 1.07734417803572
Energy: 0.9612159386266217
Energy: 0.9315944161281615
Energy: 0.9757375847133323
Energy: 1.1446383265099054
Energy: 0.9940710809076624
Energy: 1.0483999370679498
Energy: 1.037333240384887
Energy: 1.0002522247304013
Energy: 0.9918247001788975
Energy: 1.1866911021873963
Energy: 0.9905529039330366
Energy: 0.9901317933078491
Energy: 1.0305307569509943
Energy: 0.9916977023100781
Energy: 0.9903252721466481
Energy: 1.098363336285482
Energy: 0.9902031562759689
Energy: 1.08505543421326
Energy: 1.0578427260684853
Energy: 1.006025139814548
Energy: 1.0537220097549158
Energy: 1.3095249287229083
Energy: 0.9430189183293213
Energy: 0.9612967135434946
Energy: 1.0276186190286725
Energy: 0.9393243506822492
Energy: 0.9989964952982976
Energy: 1.102518323292646
Energy: 1.0207187038158088
Energy: 1.0399478384163905
Energy: 1.032579347498232
Energy: 0.9878490849248928
Energy: 1.0437313576727805
Energy: 1.0997098470871802
Energy: 1.0837197436457582
Energy: 0.9890407681947826
Energy: 1.057771520938143
Energy: 1.0142162295521788
Energy: 1.0430548033044658
Energy: 1.172981273106886
Energy: 1.039222109258756
Energy: 1.041757763374494
Energy: 1.0144849775098805
Energy: 1.0359197489563876
Energy: 1.0453635992969512
Energy: 1.255477065373129
Energy: 1.0212899662882267
Energy: 1.0604961639676338
Energy: 1.0549929162373604
Energy: 1.02816679648427
Energy: 1.0567148360658276
Energy: 1.253108050847543
Energy: 1.050742928635904
Energy: 1.062810103989776
Energy: 1.0478848097378504
Energy: 1.0521879465114854
Energy: 1.0537943101341185
Energy: 1.1399148104133734
Energy: 1.0248963307197632
Energy: 1.0314579881928951
Energy: 0.9849193594578393
Energy: 1.040518801836881
Energy: 1.0284943077084432
Energy: 1.092227210291334
Energy: 1.0689249386749335
Energy: 1.0564311132744677
Energy: 0.9832329794510306
Energy: 1.0518348038646355
Energy: 1.0419265257757995
Energy: 1.0696038182495782
Energy: 0.9729631200855009
Energy: 1.0491859508385266
Energy: 1.0059938780045001
Energy: 1.0538962320601144
Energy: 1.0408242597092063
Energy: 1.1171104286437563
Energy: 1.0550748048385055
Energy: 1.0530871754566071
Energy: 1.048042124257051
Energy: 1.0531131325803456
Energy: 1.0535718653752306
Energy: 1.0963285282975117
Energy: 1.011176177107762
Energy: 0.9895535662254223
Energy: 1.0331953434512593
Energy: 1.0114559184665577
Energy: 0.98874593902667
Energy: 1.1495215111386878
Energy: 1.0101554795907322
Energy: 0.9901692887686288
Energy: 0.9658701003145437
Energy: 1.0116019902618183
Energy: 1.0160743941930013
Energy: 1.4144286641554131
Energy: 1.021344389634022
Energy: 1.0451401236616322
Energy: 1.0282240103575395
Energy: 0.9993766930864392
Energy: 1.0539883821968639
Energy: 1.0706633141952908
Energy: 0.9044401744584472
Energy: 0.9534364710649569
Energy: 1.0087002540611376
Energy: 0.8902145227253785
Energy: 0.9231958620285465
Energy: 1.1410267133125727
Energy: 0.942833738856725
Energy: 0.9303540993018586
Energy: 0.9965829641628365
Energy: 0.9570978414008126
Energy: 1.021956624506378
Energy: 1.1441872986698658
Energy: 0.9619772082414395
Energy: 0.9204957897236382
Energy: 0.222009606774624
Energy: 0.9268963474290093
Energy: 1.0824999059753915
Energy: 1.1677352567617552
Energy: 0.9472180429413898
Energy: 0.9564042824909844
Energy: 0.9795421477546724
Energy: 0.9163258096886429
Energy: 0.9979962667616288

minimum gb energy = 0.1364073530017349 eV
minimum distance =  2.22683684011385 Angstroms
sigma value = 19


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

Energy: 1.0487011720837047
Energy: 0.9053559474475459
Energy: 0.1644935640587351
Energy: 0.8868213573326973
Energy: 0.714396788922847
Energy: 0.8566201505114596
Energy: 1.1395516285608653
Energy: 0.45896388771646496
Energy: 0.8558357850525756
Energy: 0.8385676935564907
Energy: 0.013321376783720971
Energy: 0.8335443187094712
Energy: 1.0305636400290064
Energy: 0.8847935267625198
Energy: 0.880452830991878
Energy: 0.7882339842566345
Energy: 0.8498614600425117
Energy: 0.8780390723229193
Energy: 1.0417132293937643
Energy: 0.8028376360628846
Energy: 0.8516895611657993
Energy: 0.8635083231338054
Energy: 0.859522189239677
Energy: 0.8433126661342952
Energy: 1.0390700875446388
Energy: 0.6708461919772777
Energy: 0.7663338647260256
Energy: 0.8995488356652165
Energy: 0.10740860767542694
Energy: 0.8171643770005347
Energy: 1.043452318405504
Energy: 0.602416820283085
Energy: 0.8806303313781947
Energy: 0.28474573498889844
Energy: 0.8030647960575651
Energy: 0.8603159647100207
Energy: 1.0245341488869248
Energy: 0.8735158427250383
Energy: 0.8875363969115491
Energy: 0.8938271473252936
Energy: 0.8819270168292099
Energy: 0.877573592419916
Energy: 1.0204584934953735
Energy: 0.8561753485319374
Energy: 0.8035965520319805
Energy: 0.6476605240466438
Energy: 0.8658598516288414
Energy: 0.8074203941772458
Energy: 1.046892535676467
Energy: 0.8494529111145773
Energy: 0.4222047633094299
Energy: 0.4551970255632694
Energy: 0.8858239658533362
Energy: 0.6930426952933119
Energy: 1.0358642157852582
Energy: 0.8335080821877006
Energy: 0.828476546107962
Energy: 0.820469753200721
Energy: 0.8324352822405574
Energy: 0.8568223536581733
Energy: 1.0046341832054209
Energy: 0.7893098976710272
Energy: 0.8720767390388934
Energy: 0.8475993250166066
Energy: 0.8502346377619586
Energy: 0.8713475484440935
Energy: 1.1129101385337044
Energy: 0.8939196716424083
Energy: 0.8831934800120945
Energy: 0.7972275625435421
Energy: 0.8208828530331796
Energy: 0.8831193754333699
Energy: 1.0610299864763948
Energy: 0.9034549346657744
Energy: 0.848359401548187
Energy: 0.8086810137012768
Energy: 0.09854301465025601
Energy: 0.8477253866705552
Energy: 1.1029743687316125
Energy: 0.4104891273555208
Energy: 0.7864579349202278
Energy: 0.8991717690767718
Energy: 0.7100875872000075
Energy: 0.7864654548922804
Energy: 1.0095606841777163
Energy: 0.3005485286079523
Energy: 0.4550538185356902
Energy: 0.8412396015019105
Energy: 0.33121638514475793
Energy: 0.8653651675084105
Energy: 1.09185832398716
Energy: 0.8807074282551896
Energy: 0.8750250884985667
Energy: 0.8528643984555216
Energy: 0.6045937169062436
Energy: 0.8386161739875816
Energy: 1.0565154318062697
Energy: 0.8627525725626638
Energy: 0.8822098708125942
Energy: 0.8229880246540258
Energy: 0.8558068187807679
Energy: 0.7709776670014294
Energy: 1.0779101163549456
Energy: 0.8298580779412871
Energy: 0.8295688290948628
Energy: 0.9615722054381518
Energy: 0.851426662330728
Energy: 0.8370230665708178
Energy: 1.055802977022111
Energy: 0.8622796737254058
Energy: 0.8622136239124063
Energy: 0.847493384651872
Energy: 0.8441308285486279
Energy: 0.8664423805071523
Energy: 1.010987974170293
Energy: 0.8460300013509903
Energy: 0.8620427514764275
Energy: 0.8118549261576932
Energy: 0.8682560922984318
Energy: 0.8735261281779415
Energy: 1.0367842520255803
Energy: 0.8278952044066573
Energy: 0.8306172294644613
Energy: 0.4188562607422162
Energy: 0.8671299289724227
Energy: 0.9564592125393387
Energy: 1.0335849387892806
Energy: 0.8573272561557105
Energy: 0.8415379345988415
Energy: 0.46291271455684413
Energy: 0.8433968852153841
Energy: 0.8875706076099704
Energy: 0.9862983019499404
Energy: 0.3357339541453579
Energy: 0.843216608014328
Energy: 0.04154403942553839
Energy: 0.335920169377631
Energy: 0.8742525931601075
Energy: 1.0108494758103859
Energy: 0.20941537374990285
Energy: 0.8591690074273987
Energy: 0.28293979361897736
Energy: 0.8987573933810299
Energy: 0.8447460997437669
Energy: 1.0709821011562788
Energy: 0.842354449655639
Energy: 0.8617757606461854
Energy: 0.8698471212517951
Energy: 0.8464768526324764
Energy: 0.8612185382939784
Energy: 1.05777121630436
Energy: 0.8437641347939706
Energy: 0.8615630133131438
Energy: 0.8215909449372958
Energy: 0.8361804207390353
Energy: 0.861156802010868
Energy: 1.0302175214051432
Energy: 0.854708184944229
Energy: 0.8477497399212724
Energy: 0.829995250595082
Energy: 0.8208927452011647
Energy: 0.8381259939613829
Energy: 1.0438990145124425
Energy: 0.8244412592607313
Energy: 0.8156064638219275
Energy: 0.8783079333613464
Energy: 0.34125895793497124
Energy: 0.847426231407474
Energy: 1.0653836987984195
Energy: 0.30662817959396704
Energy: 0.3650897862090738
Energy: 0.9222530868230918
Energy: 0.2987361792686207
Energy: 0.8857758710157425

minimum gb energy = 0.013321376783720971 eV
minimum distance =  2.32604292729415 Angstroms
sigma value = 101


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

Energy: 1.0791199875347435
Energy: 0.815661997136916
Energy: 0.970117776037138
Energy: 0.879537087408192
Energy: -0.33900409325074576
Energy: 0.866977837673395
Energy: 1.041742242608723
Energy: -0.22923489923394577
Energy: 0.8458611215349109
Energy: 0.8514914617149948
Energy: 0.06492281538454307
Energy: 0.8491340246998546
Energy: 0.9855251625346262
Energy: 0.8481148579794159
Energy: 0.8459147770438958
Energy: 0.8414091831090196
Energy: 0.8511594777551792
Energy: 0.8449993492672484
Energy: 0.9833770337131771
Energy: 0.8500469372587538
Energy: 0.8476690876049753
Energy: 0.8456567121966732
Energy: 0.852952528940353
Energy: 0.8415387230592126
Energy: 1.0107284791705962
Energy: 0.8459121367485957
Energy: 0.8485471702458756
Energy: 0.8391395990412008
Energy: 0.841445283428768
Energy: 0.8216400368118411
Energy: 1.0204837354608534
Energy: 0.8430878407612725
Energy: 0.8422042346601217
Energy: 0.150760876211357
Energy: 0.8437537552252432
Energy: 0.8423500373898061
Energy: 1.0446236682901997
Energy: 0.8475520539784284
Energy: 0.8436343718993615
Energy: 0.828117334193932
Energy: 0.8469478303029402
Energy: 0.840500798997191
Energy: 1.004677727972501
Energy: 0.8495914695646422
Energy: 0.8456633480512662
Energy: 0.06692322735819736
Energy: 0.8535376148421869
Energy: 0.840914158711817
Energy: 1.004061473746509
Energy: 0.8748310611974575
Energy: 0.8831445230647903
Energy: -0.19974299306085433
Energy: 0.841821789443276
Energy: 0.8599149915868292
Energy: 1.0063437191865554
Energy: 0.8393053864588409
Energy: 0.8386814784131962
Energy: 0.8749849980225625
Energy: 0.8418208249098583
Energy: 0.838721532555644
Energy: 1.0156920129404605
Energy: 0.8554411580305222
Energy: 0.85083617121727
Energy: 0.844985407247046
Energy: 0.8584435352171249
Energy: 0.8486131424070203
Energy: 0.9780970491500461
Energy: 0.8550458528744226
Energy: 0.847803009844285
Energy: 0.8607477177641758
Energy: 0.8490094403663961
Energy: 0.8466988087198688
Energy: 1.016216674922255
Energy: 0.8651619790388374
Energy: 0.8459483751205313
Energy: 0.8486827992510262
Energy: 0.8454638343366897
Energy: 0.8480072693362738
Energy: 1.0130141820899883
Energy: -0.2769212414922205
Energy: -0.2773239358445235
Energy: 0.8447920856934082
Energy: -0.29955683309519193
Energy: 0.8296398077057948
Energy: 0.9761172571122488
Energy: -0.037014376087714795
Energy: 0.8559976386299262
Energy: 0.8486456727076027
Energy: -0.2112050289794828
Energy: 0.8729157992099752
Energy: 0.9860344280846856
Energy: 0.8710083038615474
Energy: 0.8405666672633114
Energy: 0.8452033638208121
Energy: -0.265296983162107
Energy: 0.8418393094906144
Energy: 1.0138698851015637
Energy: 0.811545461358266
Energy: 0.8368976813595131
Energy: 0.8560700984137306
Energy: 0.8130499081598762
Energy: 0.8508942164425376
Energy: 1.0406471040813918
Energy: 0.06231546509452121
Energy: 0.06229938151760903
Energy: 0.8566412209385398
Energy: 0.06288227946410081
Energy: 0.8359128509125137
Energy: 0.9869915863714633
Energy: 0.8503179599470796
Energy: 0.847878906155906
Energy: 0.8404942751657597
Energy: 0.8509406868800756
Energy: 0.844279582490686
Energy: 0.9775806775611545
Energy: 0.850554414839797
Energy: 0.848170686250597
Energy: 0.8467791113310926
Energy: 0.8517834893259101
Energy: 0.8481425323693338
Energy: 1.0103966951563579
Energy: 0.8440507998933313
Energy: 0.8471136635115163
Energy: 0.8367528842623811
Energy: 0.8447769950684378
Energy: 0.8350491432422817
Energy: 1.0194309062455011
Energy: 0.8438459760344297
Energy: 0.8462680417708383
Energy: -0.5249239774607796
Energy: 0.8781096554014268
Energy: 0.8481774016732839
Energy: 0.9975995378949308
Energy: 0.8700376003161517
Energy: 0.8654174356016291
Energy: -0.05851798630281215
Energy: -0.6153086837089465
Energy: 0.8696336382843333
Energy: 0.9690891809279948
Energy: -0.6343691957858353
Energy: -0.5773857448337443
Energy: 0.8332106065535245
Energy: 0.8568164997105946
Energy: -0.3861351039005167
Energy: 1.0037977389491244
Energy: 0.8739668068173635
Energy: 0.8705623219651901
Energy: 0.8755109344002922
Energy: 0.8534345480733528
Energy: 0.8706171788859157
Energy: 1.00364801899466
Energy: 0.8462307374530394
Energy: 0.8744998526651063
Energy: 0.8551611380570873
Energy: 0.8494362531103395
Energy: 0.8736813096109342
Energy: 1.0151754410943135
Energy: 0.8545534683113497
Energy: 0.8533850711289149
Energy: 0.8435059364308587
Energy: 0.8560887108310381
Energy: 0.8497380259130379
Energy: 0.9755678970825623
Energy: 0.8570260402484698
Energy: 0.8554237625565266
Energy: 0.8499454901188376
Energy: 0.8574904367752522
Energy: 0.8485385354377255
Energy: 1.0180319897923047
Energy: -0.01625748381835018
Energy: 0.8718231759704698
Energy: 0.844952886791772
Energy: -0.01643723713761174
Energy: 0.8706658095305082
Energy: 1.0184851688169256
Energy: -0.016557306013175264
Energy: 0.8718391828195987
Energy: 0.8475527674242854
Energy: 0.8439966038332486
Energy: 0.08968259276528823
Energy: 0.9752490872024674
Energy: 0.870353123039357
Energy: 0.8730104653620057
Energy: 0.8489873925704783
Energy: 0.8757536188036099
Energy: 0.8744286228900436
Energy: 0.9859660804260819
Energy: 0.8708666215157278
Energy: 0.870278642069226
Energy: 0.8533371532753592
Energy: 0.8742890106720649
Energy: 0.8713626978020146
Energy: 1.0145560484004503
Energy: -0.12434839443480607
Energy: 0.42093661028701185
Energy: 0.8549870907575273
Energy: -0.11913140647871821
Energy: 0.4214627607907182

minimum gb energy = -0.6343691957858353 eV
minimum distance =  2.39353130934356 Angstroms
sigma value = 33


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

Energy: 0.018552585549356564
Energy: 0.019168615854234138
Energy: 0.019430577372244743
Energy: 0.020311019290439887
Energy: 1.0781825302992345
Energy: 0.026241001229845518
Energy: 0.019114599296002954
Energy: 0.10844565423956476
Energy: 0.11059719557616304
Energy: 0.11219612309738823
Energy: 0.11050254700665865
Energy: 0.10800942744327138
Energy: 1.4304303168675312
Energy: 1.0786090486175544
Energy: 1.076613378487224
Energy: 1.081225799760529
Energy: 1.0804368659215957
Energy: 1.0769461148010324
Energy: 0.4579891573100273
Energy: 0.1084456542391203
Energy: 0.11059719557660752
Energy: 0.1121961230978327
Energy: 0.11050254700576972
Energy: 0.10800942744371585

minimum gb energy = 0.018552585549356564 eV
minimum distance =  2.51702490157297 Angstroms
sigma value = 1