Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.680044695734978
cohesive_energy=4.26217454226904
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 1.73430814100598e-20, 1.196907656606334e-19, 2.13440369004846e-19, 2.9277374721399e-19, 3.6055062536209193e-19, 4.1745513287186997e-19, 4.64802656759838e-19, 5.0418095407029e-19, 5.37094468662552e-19, 5.64698369889738e-19, 5.8787866143045e-19, 6.0733709665038e-19, 6.23628028664892e-19, 6.37204873461408e-19, 6.484457447255519e-19, 6.57664669077588e-19, 6.6511959695559e-19, 6.71026822205148e-19, 6.755705951391721e-19, 6.78904724714526e-19, 6.81154180708662e-19, 6.8242310460279e-19, 6.82822046584656e-19, 6.824134915429859e-19, 6.81139761118956e-19, 6.789159399509639e-19, 6.7564589744097e-19, 6.712206855778619e-19, 6.6551213023092e-19, 6.58323163674162e-19, 6.4922600474631e-19, 6.37647074212392e-19, 6.22826940347892e-19, 6.0388440600410995e-19, 5.798998217931299e-19, 5.4971481400857e-19, 5.115413535268859e-19, 4.63040262462438e-19, 4.012651379853e-19, 3.2248931724478797e-19, 2.220616814724e-19, 9.48349177960842e-20, -6.48551488383396e-20, -2.64363951139902e-19, -5.136562266837659e-19, -8.273207550284819e-19, -1.2218375250313738e-18, -1.7378809948998e-18, -2.44197353847744e-18, -3.4398732331979996e-18, -4.9063455062982e-18, -7.1807954559246e-18, -1.109734828127028e-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: 0.015861443543607853
Energy: 0.016540962070432395
Energy: 1.227561979845867
Energy: 0.12603832102486665
Energy: 0.016540962071037633
Energy: 1.5858096775327906
Energy: 0.12603832102486665
Energy: 1.5858096775327906
Energy: 1.2275619798470438
Energy: 0.12603832102543827
Energy: 0.015861443543607853
Energy: 0.016540962071037633
Energy: 0.12603832102543827
Energy: 1.5858096775333956
Energy: 0.016540962071037633
Energy: 1.5858096775340011

minimum gb energy = 0.015861443543607853 eV
minimum distance =  2.58952136399346 Angstroms
sigma value = 1


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

Energy: 1.229054870461148
Energy: 0.9423874461142864
Energy: 0.9746254999973415
Energy: 0.9720564940499326
Energy: 0.969328665748891
Energy: 1.0457528287109934
Energy: 0.9580442738014149
Energy: 1.0457528287117275
Energy: 0.9781388529796597
Energy: 0.95586980104161
Energy: 1.0440181176256687
Energy: 0.955869801040876
Energy: 0.9541145493181484
Energy: 1.0476325824174684
Energy: 0.9575127732056118
Energy: 1.0476325824137982
Energy: 1.127027492454741
Energy: 1.1379539671569883
Energy: 1.0224531678086743
Energy: 1.1379539671584564
Energy: 0.9540887605151758
Energy: 1.034561897886784
Energy: 1.0332770962726954
Energy: 1.03456189788605
Energy: 1.022448577684657
Energy: 1.3441006782180922
Energy: 1.1246702620573505
Energy: 1.3441006782173583
Energy: 1.1251336338371656
Energy: 1.2495122416255278
Energy: 1.0363992793587147
Energy: 1.2495122416262618
Energy: 1.0388180954516826
Energy: 1.3683984451852764
Energy: 1.0294477780077027
Energy: 1.3683984451860105
Energy: 1.1223028534641948
Energy: 1.2671406654162665
Energy: 1.125960826836025
Energy: 1.2671406654170005
Energy: 1.1184800228055114
Energy: 1.3700043199076222
Energy: 1.0287734128996988
Energy: 1.3700043199068879
Energy: 1.1292454232818596
Energy: 1.3666936140466373
Energy: 1.035162666261664
Energy: 1.3666936140466373
Energy: 1.0230914692837818
Energy: 1.242738120852875
Energy: 1.1208511095481217
Energy: 1.242738120851407
Energy: 0.9543956090332348
Energy: 1.2417049614817885
Energy: 1.1178759327269572
Energy: 1.2417049614847246
Energy: 1.1242834611648789
Energy: 1.0230750800045605
Energy: 1.0240539340436796
Energy: 1.0230750800052943
Energy: 0.9382351491713157
Energy: 1.0230888277778278
Energy: 0.9572400051282377
Energy: 1.0230888277770935
Energy: 0.9532873208089909
Energy: 0.9516487369089853
Energy: 0.9422151582556597
Energy: 0.9516487369089853
Energy: 0.9577390555160754
Energy: 0.9529717608066978
Energy: 0.9699893896255324
Energy: 0.9529717608066978
Energy: 1.0415733168951906
Energy: 0.9585510189188148
Energy: 0.9567834990181051
Energy: 0.9585510189195489
Energy: 0.9615276644466596
Energy: 0.9528166494767312
Energy: 0.9532564355755183
Energy: 0.9528166494745292
Energy: 1.021898711575118
Energy: 1.0232505579325526
Energy: 1.1271410641630615
Energy: 1.0232505579325526
Energy: 1.0324490493601772
Energy: 1.0219873859873867
Energy: 0.9546936655559777
Energy: 1.021987385988121
Energy: 1.1240459045204927
Energy: 1.3434053758227122
Energy: 1.0223398684248468
Energy: 1.343405375823446
Energy: 1.0327522498571362
Energy: 1.2427204291741905
Energy: 1.1242033116822607
Energy: 1.242720429172722
Energy: 1.0298634898918788
Energy: 1.3679976609599263
Energy: 1.0369942209461915
Energy: 1.3679976609599263
Energy: 1.1223238675758418
Energy: 1.3694056191878299
Energy: 1.1222899973460558
Energy: 1.3694056191878299
Energy: 1.0291865266998153
Energy: 1.368021401085046
Energy: 1.1184534615024133
Energy: 1.36802140108578
Energy: 1.0358523468225798
Energy: 1.3684823281133116
Energy: 1.1228212282565226
Energy: 1.3684823281125778
Energy: 1.1204905511257155
Energy: 1.2416398883191666
Energy: 1.023065316754227
Energy: 1.2416398883191666
Energy: 1.120947913622039
Energy: 1.2420963805800347
Energy: 0.955320455525831
Energy: 1.2420963805800347
Energy: 1.0228318108207448
Energy: 1.022893449574574
Energy: 1.1234616063822038
Energy: 1.0228934495753081
Energy: 0.9567679304973995
Energy: 1.0230938369956566
Energy: 0.9379370061747326
Energy: 1.023093836996391
Energy: 0.9433258278510638
Energy: 0.9519351898933894
Energy: 0.9550427755273444
Energy: 0.9519351898926554

minimum gb energy = 0.9379370061747326 eV
minimum distance =  2.3155788825141 Angstroms
sigma value = 1


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

Energy: 1.3179790025234535
Energy: 1.0101635839412226
Energy: 1.04542959541053
Energy: 1.042611933253295
Energy: 1.0414729251969053
Energy: 1.121168329600973
Energy: 1.0281767631270315
Energy: 1.1211683296018098
Energy: 1.0409367105428358
Energy: 1.023677670135182
Energy: 1.119341179641257
Energy: 1.023677670133508
Energy: 1.0224323200146581
Energy: 1.1220756623012094
Energy: 1.0269679742273745
Energy: 1.1220756623003725
Energy: 1.118262065278646
Energy: 1.2255649515908975
Energy: 1.0989468149038752
Energy: 1.225564951592571
Energy: 1.0222081282525217
Energy: 1.1157074079285292
Energy: 1.1154718768997969
Energy: 1.1157074079285292
Energy: 1.0991830230208368
Energy: 1.4507908657824944
Energy: 1.115542313978907
Energy: 1.4507908657824944
Energy: 1.2173392083799257
Energy: 1.358399673901123
Energy: 1.1127230923028217
Energy: 1.358399673901123
Energy: 1.1068705901907328
Energy: 1.4686441062986395
Energy: 1.0057719317754454
Energy: 1.4686441063011506
Energy: 1.1119790193112502
Energy: 1.4689436158374274
Energy: 1.2146369123362182
Energy: 1.4689436158391014
Energy: 1.2071333559924413
Energy: 1.3446883004344248
Energy: 1.1005848954102224
Energy: 1.3446883004360988
Energy: 1.2104381611551431
Energy: 1.3453722031761948
Energy: 1.0262151216812776
Energy: 1.3453722031770319
Energy: 1.1011174597187738
Energy: 1.1010984195842455
Energy: 1.210604772144124
Energy: 1.1010984195842455
Energy: 1.0277498636294358
Energy: 1.1000979586352317
Energy: 1.003379838884641
Energy: 1.1000979586343949
Energy: 1.0097124981477055
Energy: 1.0194333149783839
Energy: 1.0218158922715994
Energy: 1.0194333149775467
Energy: 1.0416780532531704
Energy: 1.0206583955646926
Energy: 1.0282217939912188
Energy: 1.0206583955680402
Energy: 1.0250895765517816
Energy: 1.0286602192032344
Energy: 1.119686253454806
Energy: 1.0286602192049084
Energy: 1.0205965900386673
Energy: 1.0231378136995495
Energy: 1.0277217767276752
Energy: 1.0231378136987126
Energy: 1.117421341128174
Energy: 1.2257464735477834
Energy: 1.1001637654496415
Energy: 1.2257464735461479
Energy: 1.0219923221636928
Energy: 1.1012727353533704
Energy: 1.09937597548814
Energy: 1.1012727353533704
Energy: 1.0993949618929042
Energy: 1.4508833616798928
Energy: 1.1148535835905056
Energy: 1.4508833616782189
Energy: 1.1111033299034654
Energy: 1.3450697124865727
Energy: 1.1170964673992423
Energy: 1.3450697124857358
Energy: 1.1072070036902386
Energy: 1.4682320942539466
Energy: 1.008253275931621
Energy: 1.468232094256457
Energy: 1.1102272624870335
Energy: 1.4685166344812488
Energy: 1.2127434208023682
Energy: 1.468516634480412
Energy: 1.2069374349284188
Energy: 1.3445722335877146
Energy: 1.098533135733164
Energy: 1.3445722335877146
Energy: 1.206044916698247
Energy: 1.343882743093826
Energy: 1.0223791560598183
Energy: 1.343882743094663
Energy: 1.1013262787364226
Energy: 1.0991375731321282
Energy: 1.2104552161406954
Energy: 1.0991375731338022
Energy: 1.0276348695984518
Energy: 1.1004109416942807
Energy: 1.003598165054119
Energy: 1.1004109416951176
Energy: 1.0100749989018725
Energy: 1.0196209509713763
Energy: 1.0227847263094645
Energy: 1.0196209509689036

minimum gb energy = 1.003379838884641 eV
minimum distance =  2.31665697435022 Angstroms
sigma value = 25


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

Energy: 1.422386901587199
Energy: 1.0931585322635
Energy: 1.1300436247657628
Energy: 1.1290230805335164
Energy: 1.1221081135781616
Energy: 1.212640161452394
Energy: 1.1106891149746687
Energy: 1.212640161452394
Energy: 1.1016359599854544
Energy: 1.1045770407701494
Energy: 1.2192014830537707
Energy: 1.1045770407701494
Energy: 1.1036321791132806
Energy: 1.2136801131121697
Energy: 1.1084833048434979
Energy: 1.2136801131121697
Energy: 1.109123408906867
Energy: 1.3334152876221514
Energy: 1.1979101814709259
Energy: 1.3334152876221514
Energy: 1.101749521043412
Energy: 1.1977599890660304
Energy: 1.197893258632758
Energy: 1.1977599890660304
Energy: 1.1971010343324409
Energy: 1.5797476048237133
Energy: 1.2024028511378468
Energy: 1.5797476048227406
Energy: 1.212447097668678
Energy: 1.4733918732952442
Energy: 1.101039262846836
Energy: 1.4733918732952442
Energy: 1.1968981924243267
Energy: 1.472772692571312
Energy: 1.0840073359907911
Energy: 1.472772692572285
Energy: 1.1020070260197254
Energy: 1.4729576203720176
Energy: 1.1989378709799399
Energy: 1.4729576203720176
Energy: 1.084018082161984
Energy: 1.1979186726391609
Energy: 1.1974861918206063
Energy: 1.1979186726391609
Energy: 1.0832323698212072
Energy: 1.1978051151025182
Energy: 1.1115207357919383
Energy: 1.197805115103491
Energy: 1.1043287635873122
Energy: 1.1002146141812457
Energy: 1.0924296281814276
Energy: 1.1002146141822184
Energy: 1.1108963759903026
Energy: 1.0999060775013367
Energy: 1.122278477629546
Energy: 1.0999060775003637
Energy: 1.2168204151149182
Energy: 1.1117480572059208
Energy: 1.10890111208144
Energy: 1.1117480572059208
Energy: 1.2140412868374317
Energy: 1.1031340641930991
Energy: 1.1021913748912289
Energy: 1.1031340641930991
Energy: 1.1979375850934189
Energy: 1.3337566255318565
Energy: 1.109179988212789
Energy: 1.3337566255328295
Energy: 1.1983988900033098
Energy: 1.19803823096753
Energy: 1.10266491623895
Energy: 1.198038230966557
Energy: 1.2039278033565286
Energy: 1.5784222266736654
Energy: 1.1967096120125702
Energy: 1.5784222266736654
Energy: 1.1031320514342966
Energy: 1.4740626408051487
Energy: 1.1976826551477326
Energy: 1.4740626408051487
Energy: 1.0865912868087297
Energy: 1.4727397475187307
Energy: 1.1971829472267335
Energy: 1.4727397475206765
Energy: 1.0837693219311677
Energy: 1.4729994004916953
Energy: 1.1047098686818424
Energy: 1.4729994004916953
Energy: 1.199299905719113
Energy: 1.1978656048405323
Energy: 1.0831866907785501
Energy: 1.1978656048405323
Energy: 1.1119220100833336
Energy: 1.200735519139382
Energy: 1.0826308764655972
Energy: 1.200735519139382
Energy: 1.0935219108600327
Energy: 1.100777621804954
Energy: 1.1034379649679118
Energy: 1.1007776218040255

minimum gb energy = 1.0826308764655972 eV
minimum distance =  2.31479840468467 Angstroms
sigma value = 9


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

Energy: 1.574483935600314
Energy: 1.2284553143184576
Energy: 1.2643180831010497
Energy: 1.2548860607530257
Energy: 1.2261355419476596
Energy: 1.5396876543130789
Energy: 1.2342681943452665
Energy: 1.5396876543130789
Energy: 1.216077620052675
Energy: 1.218153857408428
Energy: 1.2461980046249561
Energy: 1.218153857408428
Energy: 1.2156411452751716
Energy: 1.3420456403935883
Energy: 1.2324967409594716
Energy: 1.3420456403935883
Energy: 1.2763467753762148
Energy: 1.3347416256666813
Energy: 1.333460754429497
Energy: 1.334741625665521
Energy: 1.2174749834167402
Energy: 1.3356629448512514
Energy: 1.3010713866121622
Energy: 1.3356629448512514
Energy: 1.4408968146324066
Energy: 1.6591123548308313
Energy: 1.3061847174395316
Energy: 1.6591123548308313
Energy: 1.4264901420725007
Energy: 1.57807055078352
Energy: 1.3006017101204277
Energy: 1.5780705507846804
Energy: 1.4056476322127323
Energy: 1.406302319955814
Energy: 1.2032515719992476
Energy: 1.4063023199569746
Energy: 1.2159628124834658
Energy: 1.4076535072394605
Energy: 1.2029756856386276
Energy: 1.4076535072406209
Energy: 1.1930036654221825
Energy: 1.1968623694849978
Energy: 1.1958450995451724
Energy: 1.1968623694849978
Energy: 1.2161345632368443
Energy: 1.1792258176513617
Energy: 1.1963862648908026
Energy: 1.1792258176513617
Energy: 1.2826641679998179
Energy: 1.2819669956770239
Energy: 1.2314237456428565
Energy: 1.2819669956770239
Energy: 1.281713587824342
Energy: 1.2825425831227408
Energy: 1.2330969100957367
Energy: 1.2825425831227408
Energy: 1.2764510505528508
Energy: 1.386182309409124
Energy: 1.2851519866454697
Energy: 1.386182309409124
Energy: 1.2314863433857337
Energy: 1.385881546498093
Energy: 1.2852722163340777
Energy: 1.385881546498093
Energy: 1.440630896342814
Energy: 1.6415043706248535
Energy: 1.3546782236191108
Energy: 1.6415043706248535
Energy: 1.4408099742663922
Energy: 1.5858673585200358
Energy: 1.38110390108176
Energy: 1.5858673585200358
Energy: 1.3439776034035456
Energy: 1.3439735381478057
Energy: 1.2034290043195524
Energy: 1.343973538146645
Energy: 1.2306815699481366
Energy: 1.3430614565310528
Energy: 1.202775215190601
Energy: 1.3430614565298917
Energy: 1.216440033386248
Energy: 1.220647643226113
Energy: 1.2474678931650351
Energy: 1.2206476432249524

minimum gb energy = 1.1792258176513617 eV
minimum distance =  2.30475744877251 Angstroms
sigma value = 25


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

Energy: 1.7633231646691812
Energy: 1.3248195889993146
Energy: 1.3846576748938388
Energy: 1.382642964972482
Energy: 1.4399597378562619
Energy: 1.3361399596712509
Energy: 1.3510898989213627
Energy: 1.3361399596698154
Energy: 1.3362973142109418
Energy: 1.3364205786860088
Energy: 1.3437181741019715
Energy: 1.3364205786860088
Energy: 1.337365202939555
Energy: 1.416602046669021
Energy: 1.3445105584495438
Energy: 1.4166020466675855
Energy: 1.4838426560492288
Energy: 1.3449804665682736
Energy: 1.344794401938216
Energy: 1.3449804665467766
Energy: 1.335782789931127
Energy: 1.3456400308357972
Energy: 1.3460526024319486
Energy: 1.3456400308214442
Energy: 1.3081023061750745
Energy: 1.3444406126229693
Energy: 1.3450216227235652
Energy: 1.3444406126229693
Energy: 1.3077991830671463
Energy: 1.414820190781644
Energy: 1.3517681070992382
Energy: 1.4148201907802087
Energy: 1.3344765148902227
Energy: 1.3350676682797993
Energy: 1.3617780004189635
Energy: 1.3350676682797993
Energy: 1.3507235913287605
Energy: 1.3344338183460174
Energy: 1.3614035107237268
Energy: 1.3344338183460174
Energy: 1.3430214827278242
Energy: 1.3352554559618268
Energy: 1.3518259523011087
Energy: 1.3352554559618268
Energy: 1.3428106192183635
Energy: 1.335965448000977
Energy: 1.3358895227452932
Energy: 1.3359654480038476
Energy: 1.3453765554270585
Energy: 1.3450535636333847
Energy: 1.485522800636877
Energy: 1.3450535631384337
Energy: 1.3447598234761724
Energy: 1.3451235409939197
Energy: 1.3373302101231528
Energy: 1.3451235409939197
Energy: 1.344876361963815
Energy: 1.3472588674798334
Energy: 1.307528112440113
Energy: 1.3472588674740922
Energy: 1.3462139029747007
Energy: 1.344437835593992
Energy: 1.308039569508353
Energy: 1.344437835593992
Energy: 1.3616661910078434
Energy: 1.333755985054871
Energy: 1.3361066554977838
Energy: 1.333755985054871

minimum gb energy = 1.307528112440113 eV
minimum distance =  2.32808028878176 Angstroms
sigma value = 17


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

Energy: 2.297808066547239
Energy: 1.430996044524126
Energy: 1.490867150433883
Energy: 1.490008336270516
Energy: 1.4297645640403716
Energy: 1.394560654161122
Energy: 1.442712077217369
Energy: 1.3945606541619349
Energy: 1.4226814356378557
Energy: 1.3954844388505419
Energy: 1.4345512007972752
Energy: 1.3954844388537935
Energy: 1.3948589105005171
Energy: 1.7033921297370025
Energy: 1.417490409277907
Energy: 1.7033921297370025
Energy: 1.5109919747045886
Energy: 1.6539011907452
Energy: 1.576122493590981
Energy: 1.653901190746013
Energy: 1.3968126512660652
Energy: 1.6553471791066614
Energy: 1.5092140520258337
Energy: 1.6553471791066614
Energy: 1.4120848512661965
Energy: 1.3935248451362632
Energy: 1.3969417166932592
Energy: 1.393524845137076
Energy: 1.4472906429710795
Energy: 1.3932969250177971
Energy: 1.4097448082888224
Energy: 1.3932969250194227
Energy: 1.4420926109853975
Energy: 1.4426058520658132
Energy: 1.4397028652485215
Energy: 1.442605852066626
Energy: 1.4298086908795131
Energy: 1.4297850861096726
Energy: 1.4487980989306293
Energy: 1.4297850861104855
Energy: 1.5109631951480256
Energy: 1.4807787779890134
Energy: 1.4811828134259823
Energy: 1.4807787779890134
Energy: 1.4310764072294166
Energy: 1.4813530113072315
Energy: 1.479960666372274
Energy: 1.4813530113056057
Energy: 1.4091991964450432
Energy: 1.4826596950263362
Energy: 1.482559876484338
Energy: 1.4826596950263362
Energy: 1.4086660970897462
Energy: 1.4810106751623222
Energy: 1.4057129162781703
Energy: 1.4810106751606964
Energy: 1.4317004588624627
Energy: 1.4282586132126265
Energy: 1.4553163445542814
Energy: 1.4282586132134394
Energy: 1.443385633431082
Energy: 1.4287409057243845
Energy: 1.4568223220131942
Energy: 1.4287409057251972
Energy: 1.4344900437142043
Energy: 1.3940981887459738
Energy: 1.4094263025863405
Energy: 1.3940981887467867
Energy: 1.43477058686896
Energy: 1.3941306754780527
Energy: 1.393899643757708
Energy: 1.39413067547724
Energy: 1.3936675273169543
Energy: 1.6546087351201715
Energy: 1.511639429938251
Energy: 1.6546087351201715
Energy: 1.5840926513160287
Energy: 1.6584536832445063
Energy: 1.5096042106937313
Energy: 1.6584536832445063
Energy: 1.3932881064983769
Energy: 1.3936566612957517
Energy: 1.4498395604019685
Energy: 1.3936566612965644
Energy: 1.4113510596576244
Energy: 1.4099123399753395
Energy: 1.4122835323273448
Energy: 1.4099123399753395
Energy: 1.4481076234219796
Energy: 1.429996674621801
Energy: 1.4452204863554046
Energy: 1.4299966746234267
Energy: 1.43987650203167
Energy: 1.430203304814368
Energy: 1.4526499741438657
Energy: 1.430203304814368
Energy: 1.4062628585761312
Energy: 1.4822226725956573
Energy: 1.4309588914128204
Energy: 1.4822226725948444
Energy: 1.4812963962469377
Energy: 1.4818238712446496
Energy: 1.5130127221692498
Energy: 1.4818238712446496
Energy: 1.4806291851442783
Energy: 1.584434680332443
Energy: 1.4309375896703191
Energy: 1.5844346803340685
Energy: 1.4823460460614653
Energy: 1.4810213886780996
Energy: 1.4082265420468651
Energy: 1.481021388678912
Energy: 1.515683067875458
Energy: 1.724279842535545
Energy: 1.40871980216669
Energy: 1.7242798425347325
Energy: 1.4571181093091659
Energy: 1.430173749680409
Energy: 1.4770094216880902
Energy: 1.430173749680409

minimum gb energy = 1.3932881064983769 eV
minimum distance =  2.32059556758462 Angstroms
sigma value = 53


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

Energy: 2.1101274924169937
Energy: 1.4222427992081896
Energy: 1.5078531627758083
Energy: 1.50734149587242
Energy: 1.4748303591920044
Energy: 1.4381298111646812
Energy: 1.4393506588762592
Energy: 1.4381298111646812
Energy: 1.4404299855357703
Energy: 1.4385350491393838
Energy: 1.4658886613062365
Energy: 1.4385350491412554
Energy: 1.4403638344918526
Energy: 1.494008478365528
Energy: 1.4384311727898584
Energy: 1.4940084783636565
Energy: 1.4625853846344858
Energy: 1.4935709332973273
Energy: 1.3979932516759908
Energy: 1.4935709332991987
Energy: 1.4371716995921364
Energy: 1.493753600994645
Energy: 1.3985213554770701
Energy: 1.493753600994645
Energy: 1.4703360521396005
Energy: 1.4382173989475033
Energy: 1.4389343932933252
Energy: 1.4382173989475033
Energy: 1.4703301083295481
Energy: 1.4378785747819616
Energy: 1.4371777980762641
Energy: 1.437878574783833
Energy: 1.4400115591917895
Energy: 1.4389954445437323
Energy: 1.4664941696706448
Energy: 1.4389954445437323
Energy: 1.4380807411060745
Energy: 1.4374792014152902
Energy: 1.437449394741809
Energy: 1.4374792014134188
Energy: 1.4618235771106451
Energy: 1.4951462586079944
Energy: 1.4242792844496146
Energy: 1.4951462586098658
Energy: 1.4394786653251606
Energy: 1.4935612295548948
Energy: 1.4016126498769488
Energy: 1.4935612295530236
Energy: 1.4703541493222323
Energy: 1.4377035193802226
Energy: 1.4368236222047053
Energy: 1.4377035193802226

minimum gb energy = 1.3979932516759908 eV
minimum distance =  2.32772730833132 Angstroms
sigma value = 9


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

Energy: 2.03019233153509
Energy: 1.474814409293014
Energy: 1.5895206827337034
Energy: 1.5032031258891538
Energy: 1.6590867617710752
Energy: 1.5477279922400353
Energy: 1.5762825582106104
Energy: 1.5477279922393428
Energy: 1.450887315911996
Energy: 1.4708821376558376
Energy: 1.4884141346617181
Energy: 1.4708821376544525
Energy: 1.506690964028928
Energy: 1.4703155488770543
Energy: 1.574030941239655
Energy: 1.4703155488770543
Energy: 1.4721401066513964
Energy: 1.4690385582426435
Energy: 1.5253392135644817
Energy: 1.4690385582426435
Energy: 1.5346881588674448
Energy: 1.4685346983372567
Energy: 1.521238891498404
Energy: 1.4685346983365637
Energy: 1.5785633403239174
Energy: 1.4844358067416923
Energy: 1.5724151051030708
Energy: 1.484435806742385
Energy: 1.5784736541822273
Energy: 1.4838676187783248
Energy: 1.4889689464546028
Energy: 1.483867618777632
Energy: 1.4498321224103086
Energy: 1.5837195192874358
Energy: 1.602414239066393
Energy: 1.5837195192867433
Energy: 1.500886811926889
Energy: 1.5015633852245245
Energy: 1.4926462236440396
Energy: 1.501563385223832
Energy: 1.4459694846563824
Energy: 1.4451390111497857
Energy: 1.6263722378726553
Energy: 1.4451390111497857
Energy: 1.4868561528973774
Energy: 1.5166157153622815
Energy: 1.51821017189846
Energy: 1.5166157153622815
Energy: 1.5743400160378944
Energy: 1.4462465987843542
Energy: 1.6308136950952818
Energy: 1.4462465987843542
Energy: 1.574493491706629
Energy: 1.4462542429533918
Energy: 1.4505034972164366
Energy: 1.4462542429547767
Energy: 1.4835968566676105
Energy: 1.4988405117373107
Energy: 1.4468648510438826
Energy: 1.4988405117338475
Energy: 1.4536314661828005
Energy: 1.6696516547846831
Energy: 1.4929171274672441
Energy: 1.6696516547826052
Energy: 1.4898991847052285
Energy: 1.548722527197877
Energy: 1.5383955429106257
Energy: 1.548722527202033
Energy: 1.483728675578895
Energy: 1.4851973869971502
Energy: 1.522700528482421
Energy: 1.4851973869978428
Energy: 1.5742283085507869
Energy: 1.4832471151944624
Energy: 1.6328002845752039
Energy: 1.4832471151958475
Energy: 1.4890841685572833
Energy: 1.4715205172593329
Energy: 1.4500000491787022
Energy: 1.4715205172593329
Energy: 1.5728375678894397
Energy: 1.4697276323232722
Energy: 1.4737704661684217
Energy: 1.4697276323232722
Energy: 1.5211510750709885
Energy: 1.4686681742026293
Energy: 1.4698507019973805
Energy: 1.4686681742026293
Energy: 1.5221259383930619
Energy: 1.4691876612887529
Energy: 1.5332791103845544
Energy: 1.469187661294294
Energy: 1.5716680607280353
Energy: 1.484411596292717
Energy: 1.5784993841174775
Energy: 1.484411596292717
Energy: 1.484383854341582
Energy: 1.4839955827005806
Energy: 1.5800448924048336
Energy: 1.4839955827005806
Energy: 1.6030180232787232
Energy: 1.582462359515904
Energy: 1.4474712173394269
Energy: 1.58246235952006
Energy: 1.4850770319523694
Energy: 1.5017500865659603
Energy: 1.4997853297568235
Energy: 1.5017500865701159
Energy: 1.6259836712648001
Energy: 1.4453438760712
Energy: 1.4472182699127605
Energy: 1.4453438760705073
Energy: 1.5165157256748087
Energy: 1.5442868038427269
Energy: 1.4876645631132581
Energy: 1.5442868038413418
Energy: 1.632677217868988
Energy: 1.4459730365989307
Energy: 1.5747720066435857
Energy: 1.445973036598238
Energy: 1.4521681840277967
Energy: 1.446897707865553
Energy: 1.5011738116025748
Energy: 1.446897707865553
Energy: 1.4471812379870184
Energy: 1.447640521634459
Energy: 1.4843350440289855
Energy: 1.447640521634459
Energy: 1.4963881536944021
Energy: 1.7566152737631007
Energy: 1.4533903522503686
Energy: 1.7566152737637935
Energy: 1.446920343835033
Energy: 1.5493483243573845
Energy: 1.4623863823082417
Energy: 1.5493483243497654
Energy: 1.5228090103374212
Energy: 1.484894805926958
Energy: 1.4837903894267641
Energy: 1.484894805926958

minimum gb energy = 1.4451390111497857 eV
minimum distance =  2.30184162532957 Angstroms
sigma value = 73


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

Energy: 2.141215135263395
Energy: 1.4583691976739845
Energy: 1.4656725432491156
Energy: 1.4653944371795165
Energy: 1.5917305986231733
Energy: 1.5641184357773683
Energy: 1.5737905249761424
Energy: 1.5641184357773683
Energy: 1.4745006705107964
Energy: 1.4767837397375079
Energy: 1.5945116840549705
Energy: 1.4767837397375079
Energy: 1.4744741428024852
Energy: 1.476727513232689
Energy: 1.6599767149940758
Energy: 1.4767275132348867
Energy: 1.4770706378834633
Energy: 1.4770752573673016
Energy: 1.5273125594537684
Energy: 1.4770752573651036
Energy: 1.4982233948157477
Energy: 1.8070715310468393
Energy: 1.5270965609755944
Energy: 1.8070715310479382
Energy: 1.6150661898795882
Energy: 1.4803308064506426
Energy: 1.5040249354876478
Energy: 1.4803308064506426
Energy: 1.6168860252196444
Energy: 1.4789905071766698
Energy: 1.4808576980453518
Energy: 1.4789905071755707
Energy: 1.4696230281591134
Energy: 1.5482567455992917
Energy: 1.5172858493795693
Energy: 1.5482567455992917
Energy: 1.5972431515602608
Energy: 1.762034626626895
Energy: 1.520147045222249
Energy: 1.762034626626895
Energy: 1.4705337400036091
Energy: 1.4057367151899538
Energy: 1.6378562545252893
Energy: 1.4057367151899538
Energy: 1.4928724446891863
Energy: 1.4082215565243195
Energy: 1.4838705096424045
Energy: 1.4082215565254186
Energy: 1.467415689978794
Energy: 1.715563444769908
Energy: 1.5994033724427703
Energy: 1.715563444769908
Energy: 1.4676560993494476
Energy: 1.4824307225721354
Energy: 1.4816442082958583
Energy: 1.4824307225699374
Energy: 1.5116175141176638
Energy: 1.5381220956529458
Energy: 1.4808567896051674
Energy: 1.5381220956518469
Energy: 1.5277456547386785
Energy: 1.5012059477511936
Energy: 1.4994856165759567
Energy: 1.5012059477511936
Energy: 1.5276112776310362
Energy: 1.831309868305269
Energy: 1.4936912164283938
Energy: 1.831309868305269
Energy: 1.5558563629305073
Energy: 1.533293168363992
Energy: 1.6163405856596618
Energy: 1.5332931683650912
Energy: 1.460094279420707
Energy: 1.4586260836495364
Energy: 1.617511158551485
Energy: 1.4586260836495364
Energy: 1.528832850273638
Energy: 1.6368841692072316
Energy: 1.4570210203448672
Energy: 1.6368841692072316
Energy: 1.457448321713136
Energy: 1.7897588618542388
Energy: 1.574320695230424
Energy: 1.789758861855338
Energy: 1.579789421636382
Energy: 1.4559205916119664
Energy: 1.4556592596740292
Energy: 1.4559205916119664

minimum gb energy = 1.4057367151899538 eV
minimum distance =  2.29259827401598 Angstroms
sigma value = 7


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

Energy: 2.448698500337445
Energy: 1.4365163646673345
Energy: 1.584541951282564
Energy: 1.440421237748574
Energy: 1.5768148950791072
Energy: 1.4374919463268536
Energy: 1.5297088154569138
Energy: 1.4374919463245226
Energy: 1.4480492421935651
Energy: 1.4498874817681993
Energy: 1.5266578772374033
Energy: 1.4498874817720848
Energy: 1.4482540117412896
Energy: 1.4532212141965977
Energy: 1.571557109704346
Energy: 1.4532212141997058
Energy: 1.4420823346858265
Energy: 1.4371162089083636
Energy: 1.4736703246262832
Energy: 1.4371162089075864
Energy: 1.5819098394151663
Energy: 1.4366885592062015
Energy: 1.47340894276719
Energy: 1.436688559210087
Energy: 1.5301374017040468
Energy: 1.4378654732079668
Energy: 1.5830721258054865
Energy: 1.4378654732095209
Energy: 1.5312956650926253
Energy: 1.4377121746895931
Energy: 1.4372558408046665
Energy: 1.4377121746942556
Energy: 1.5820332369257863
Energy: 1.506526553651567
Energy: 1.507453726788171
Energy: 1.5065265536469048
Energy: 1.464479161495878
Energy: 1.6554161458141137
Energy: 1.452518636224544
Energy: 1.6554161458125598
Energy: 1.5268501223323871
Energy: 1.4378291617699746
Energy: 1.5868060219825437
Energy: 1.4378291617598729
Energy: 1.4407266946010235
Energy: 1.4400618984937337
Energy: 1.5371518371373432
Energy: 1.4400618984968419
Energy: 1.439277101042945
Energy: 1.4400152698993351
Energy: 1.4437812197396354
Energy: 1.4400152698985582
Energy: 1.4386648334137846
Energy: 1.628631957576868
Energy: 1.5560362597393487
Energy: 1.6286319575698742
Energy: 1.5629707834001112
Energy: 1.4392630038192198
Energy: 1.41774508027116
Energy: 1.4392630038192198
Energy: 1.593451316377485
Energy: 1.4399068601787608
Energy: 1.4378303867799733
Energy: 1.439906860179538
Energy: 1.594806210846396
Energy: 1.4370739805121464
Energy: 1.5275562441124861
Energy: 1.4370739805113695
Energy: 1.451377080551905
Energy: 1.541360802368575
Energy: 1.5254867907669127
Energy: 1.5413608023631358
Energy: 1.50715907850663
Energy: 1.507047829457565
Energy: 1.5732772818593577
Energy: 1.507047829466113
Energy: 1.4367940684864464
Energy: 1.436177649495749
Energy: 1.5891618107133636
Energy: 1.4361776494965262
Energy: 1.5821357315010145
Energy: 1.4377684206964167
Energy: 1.4743791825461021
Energy: 1.4377684206964167
Energy: 1.5310788261885506
Energy: 1.436553723722261
Energy: 1.5827330423294887
Energy: 1.436553723722261
Energy: 1.5308414778742885
Energy: 1.4375425126529913
Energy: 1.4400411827277622
Energy: 1.4375425126506602
Energy: 1.5263640251316621
Energy: 1.5074833600595106
Energy: 1.538875325263245
Energy: 1.5074833600525168
Energy: 1.4645946821697444
Energy: 1.449483472767569
Energy: 1.5363109812874831
Energy: 1.4494834727714545
Energy: 1.4679042504799231
Energy: 1.5417975630773195
Energy: 1.4936730470983977
Energy: 1.5417975630773195
Energy: 1.4382261990821776
Energy: 1.4422093181567983
Energy: 2.1470863762039127
Energy: 1.4422093181614604
Energy: 1.4393167685836747
Energy: 1.4381560402404137
Energy: 1.4937854583803138
Energy: 1.4381560402349742
Energy: 1.5248536949374212
Energy: 1.6419155817873183
Energy: 1.4420474178937295
Energy: 1.6419155817896496
Energy: 1.4373738580571138
Energy: 1.5235160319802017
Energy: 1.5884907048488417
Energy: 1.5235160319856407
Energy: 1.5945302396857488
Energy: 1.4378917457807596
Energy: 1.4429372402558183
Energy: 1.4378917457799825

minimum gb energy = 1.41774508027116 eV
minimum distance =  2.30427775013058 Angstroms
sigma value = 29


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

Energy: 1.5026111769459722
Energy: 1.5019090449886972
Energy: 1.459736808750946
Energy: 1.5085657577328715
Energy: 1.2760464703753835
Energy: 1.3757778591192389
Energy: 1.2815648581039807
Energy: 1.3757778591195098
Energy: 1.2824559106277238
Energy: 1.3766900341637047
Energy: 1.3959517493571085
Energy: 1.3766900341631636
Energy: 1.280236881852789
Energy: 1.2819408511646448
Energy: 1.2814925764240621
Energy: 1.2819408511638328
Energy: 1.2819480234052094
Energy: 1.2829335658822691
Energy: 1.2755172545410458
Energy: 1.2829335658819987
Energy: 1.2816094476705198
Energy: 1.3764880358397775
Energy: 1.2752911084728695
Energy: 1.3764880358397775
Energy: 1.3971605570013186
Energy: 1.3764470912923847
Energy: 1.2820560663845368
Energy: 1.3764470912926554
Energy: 1.2838561299635487
Energy: 1.2834735553181185
Energy: 1.2782883432651746
Energy: 1.2834735553175771
Energy: 1.2755751232614043
Energy: 1.3983357690784946
Energy: 1.3968162939536637
Energy: 1.3983357690782243

minimum gb energy = 1.2752911084728695 eV
minimum distance =  2.34355735864421 Angstroms
sigma value = 5


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

Energy: 2.0591149331498526
Energy: 1.3288584597031814
Energy: 1.3136201956417723
Energy: 1.3071959328034648
Energy: 1.6316561015254418
Energy: 1.3147764301675644
Energy: 1.510804204984629
Energy: 1.3147764301646283
Energy: 1.5422592975639273
Energy: 1.3961207363023067
Energy: 1.5315390246459792
Energy: 1.3961207363074446
Energy: 1.4430621112802648
Energy: 1.369247801102691
Energy: 1.5164045691240335
Energy: 1.3692478011034248
Energy: 1.4912913594591084
Energy: 1.3091377619238185
Energy: 1.6378261725118828
Energy: 1.3091377619208822
Energy: 1.3126694900496902
Energy: 1.3081048503268655
Energy: 1.6372584426115662
Energy: 1.308104850322528
Energy: 1.395362146244827
Energy: 1.391756658326145
Energy: 1.6562693465053755
Energy: 1.391756658328347
Energy: 1.3064113655141947
Energy: 1.30832329133143
Energy: 1.6121629821065497
Energy: 1.308323291325558
Energy: 1.6345005107785238
Energy: 1.5392960683577472
Energy: 1.6700048290858052
Energy: 1.5392960683614172
Energy: 1.7880708159642207
Energy: 1.3217553796344341
Energy: 1.3165294728556354
Energy: 1.3217553796373702
Energy: 1.6312215297119976
Energy: 1.3236756837796932
Energy: 1.324326179515454
Energy: 1.3236756837767572
Energy: 1.6750479587794058
Energy: 1.3384956335182254
Energy: 1.3373399915996593
Energy: 1.3384956335211615
Energy: 1.671809224150422
Energy: 1.3134277482246939
Energy: 1.5113726781478238
Energy: 1.3134277482261618
Energy: 1.6291313952876958
Energy: 1.4060869460322556
Energy: 1.6091625083153749
Energy: 1.4060869460337238
Energy: 1.4281940799246697
Energy: 1.5386148317300756
Energy: 1.6047403225622057
Energy: 1.5386148317278734
Energy: 1.3931424208334173
Energy: 1.2955054827946528
Energy: 1.6146149925938322
Energy: 1.295505482796121
Energy: 1.3853683952550875
Energy: 1.3021399894585186
Energy: 1.6133441204577523
Energy: 1.3021399894548484
Energy: 1.5862091568964953
Energy: 1.2943469150936986
Energy: 1.6103661753148042
Energy: 1.2943469150929645
Energy: 1.6064760128679951
Energy: 1.550090615855721
Energy: 1.4198236993632265
Energy: 1.5500906158623275
Energy: 1.6483172663895849
Energy: 1.3798682539882006
Energy: 1.5228862493468782
Energy: 1.3798682539874665
Energy: 1.6374666490486547
Energy: 1.3162605873125859
Energy: 1.3896512746278937
Energy: 1.3162605873096498
Energy: 1.6395982761093466
Energy: 1.3199850224055782
Energy: 1.326215989683659
Energy: 1.3199850224048442
Energy: 1.6687724103968802
Energy: 1.3858958124111789
Energy: 1.3615992405721324
Energy: 1.3858958124148488
Energy: 1.6686121366467632
Energy: 1.3381494029410876
Energy: 1.3565724189176498
Energy: 1.3381494029418215
Energy: 1.6720608577128355
Energy: 1.5191144887703094
Energy: 1.622171811302999
Energy: 1.5191144887710435
Energy: 1.3064977663357764
Energy: 1.3311526888121519
Energy: 1.7881889918460785
Energy: 1.3311526888106837
Energy: 1.3270485461577304
Energy: 1.32593352666926
Energy: 1.6243077912662627
Energy: 1.325933526668526
Energy: 1.3257899156365083
Energy: 1.3236763237126967
Energy: 1.6192970001118197
Energy: 1.3236763237112288
Energy: 1.5586720236118345
Energy: 1.3043710197660143
Energy: 1.6708873652558602
Energy: 1.3043710197652805
Energy: 1.605700726942479
Energy: 1.6276852149802272
Energy: 1.6206508174996601
Energy: 1.6276852149772911
Energy: 1.6073126252851064
Energy: 1.3186340979390603
Energy: 1.3420274609525782
Energy: 1.3186340979375923
Energy: 1.657933057420601
Energy: 1.3160834496387666
Energy: 1.318289124445171
Energy: 1.3160834496350964
Energy: 1.6169740860372297
Energy: 1.3117255083995272
Energy: 1.306944274962682
Energy: 1.3117255084017296

minimum gb energy = 1.2943469150929645 eV
minimum distance =  2.29196247276388 Angstroms
sigma value = 1


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

Energy: 2.0319642789218118
Energy: 1.2890115575335879
Energy: 1.4872678128516683
Energy: 1.2640346532089826
Energy: 1.6991127594148259
Energy: 1.2559982536996936
Energy: 1.5174487238844496
Energy: 1.2559982536986787
Energy: 1.5166510210291693
Energy: 1.3584671499133456
Energy: 1.5155556601572835
Energy: 1.3584671499123309
Energy: 1.3295514314602526
Energy: 1.303806809776471
Energy: 1.5168582616701858
Energy: 1.303806809774441
Energy: 1.5187918779761704
Energy: 1.2606827654002595
Energy: 1.7418140672164042
Energy: 1.2606827653982295
Energy: 1.270839036637438
Energy: 1.2697689117223205
Energy: 1.7417787800144575
Energy: 1.2697689117223205
Energy: 1.300864590875655
Energy: 1.3008522472249566
Energy: 1.7363753993264406
Energy: 1.300852247220897
Energy: 1.256628248325795
Energy: 1.2566589950323872
Energy: 1.7758268755441524
Energy: 1.2566589950364468
Energy: 1.7374641699759967
Energy: 1.3516732889728644
Energy: 1.7778243200267605
Energy: 1.3516732889738796
Energy: 1.5750408557777047
Energy: 1.2569314285769262
Energy: 1.2579478783009916
Energy: 1.2569314285738813
Energy: 1.7358016550436868
Energy: 1.299965310392092
Energy: 1.300526715272709
Energy: 1.2999653103910773
Energy: 1.786151870989317
Energy: 1.2583845670610871
Energy: 1.260409521530073
Energy: 1.2583845670631169
Energy: 1.7839603040224146
Energy: 1.25724894829631
Energy: 1.2915172264098695
Energy: 1.25724894829834
Energy: 1.5177640736508988
Energy: 1.2581073361818544
Energy: 1.522462588395706
Energy: 1.2581073361818544
Energy: 1.327189370817984
Energy: 1.3892683524943352
Energy: 1.5185951732150809
Energy: 1.3892683524963654
Energy: 1.3266448181217552
Energy: 1.2577150345877852
Energy: 1.7364355599662256
Energy: 1.2577150345867705
Energy: 1.2726619043093201
Energy: 1.263554680526181
Energy: 1.741554823916195
Energy: 1.2635546805211064
Energy: 1.2566586452216357
Energy: 1.2576214500089087
Energy: 1.7415117324997973
Energy: 1.257621450006879
Energy: 1.3008093780882886
Energy: 1.2612047434745404
Energy: 1.7773514163079953
Energy: 1.2612047434775853
Energy: 1.2614362415864557
Energy: 1.354262481651157
Energy: 1.7755160697962336
Energy: 1.354262481651157
Energy: 1.5261596100430088
Energy: 1.3540674767606662
Energy: 1.7360781789831146
Energy: 1.3540674767606662
Energy: 1.529027747060901
Energy: 1.261079321364772
Energy: 1.2620535472076333
Energy: 1.261079321363757
Energy: 1.7384101855201453
Energy: 1.2584851193617443
Energy: 1.259258129172793
Energy: 1.2584851193597146
Energy: 1.7840068077603557
Energy: 1.2722459285456476
Energy: 1.256509993841534
Energy: 1.2722459285466623

minimum gb energy = 1.2559982536986787 eV
minimum distance =  2.28672461997478 Angstroms
sigma value = 17


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

Energy: 2.154674592831033
Energy: 1.259694209476616
Energy: 1.4985144888280422
Energy: 1.2520864066964608
Energy: 1.5213527279817336
Energy: 1.2417687808305236
Energy: 1.407440425345738
Energy: 1.2417687808317783
Energy: 1.565131648919238
Energy: 1.2600436851830243
Energy: 1.4469965143959234
Energy: 1.2600436851805155
Energy: 1.5693017784660308
Energy: 1.3363813568947562
Energy: 1.4150119927625135
Energy: 1.3363813568953835
Energy: 1.564290127525933
Energy: 1.2384629408231251
Energy: 1.783144555148161
Energy: 1.2384629408231251
Energy: 1.2511723741228329
Energy: 1.2386465409510838
Energy: 1.7199570775806763
Energy: 1.2386465409510838
Energy: 1.245046664875814
Energy: 1.2448819395175403
Energy: 1.5278998991270838
Energy: 1.2448819395181678
Energy: 1.2462328747370734
Energy: 1.2443032893244084
Energy: 1.8974112779317878
Energy: 1.244303289325663
Energy: 1.723418088235217
Energy: 1.245616953928524
Energy: 1.5458011787417718
Energy: 1.2456169539272695
Energy: 1.4637057741308868
Energy: 1.3384494383843633
Energy: 1.429768665052415
Energy: 1.3384494383868726
Energy: 1.7268527767220994
Energy: 1.278907466445713
Energy: 1.310497719824904
Energy: 1.278907466441949
Energy: 1.8575214422862545
Energy: 1.244746676886768
Energy: 1.4095878203590055
Energy: 1.244746676889277
Energy: 1.7205377792940617
Energy: 1.249340538453856
Energy: 1.252667906801905
Energy: 1.2493405384544833
Energy: 1.5389213250680405
Energy: 1.261991578396799
Energy: 1.281583999348599
Energy: 1.2619915783974265
Energy: 1.6091107273613416
Energy: 1.2583798318937254
Energy: 1.258934611612069
Energy: 1.2583798318905888
Energy: 1.8869025303656812
Energy: 1.2590071896232673
Energy: 1.5468100711975017
Energy: 1.2590071896257762
Energy: 1.2513884180766432
Energy: 1.2600974638272506
Energy: 1.7407231364638838
Energy: 1.2600974638247413
Energy: 1.2712844150361415
Energy: 1.2543619170269389
Energy: 1.7128517953602393
Energy: 1.2543619170275662
Energy: 1.2444969817084393
Energy: 1.2410664867340386
Energy: 1.5463087763663435
Energy: 1.241066486732157
Energy: 1.3891374304184538
Energy: 1.255979645283955
Energy: 1.8990410725641909
Energy: 1.255979645286464
Energy: 1.4080190342159302
Energy: 1.2418670369478118
Energy: 1.535635850946607
Energy: 1.24186703694593
Energy: 1.4442211331295132
Energy: 1.5421115075062295
Energy: 1.566090134309747
Energy: 1.5421115075056022
Energy: 1.418541853866373
Energy: 1.334715953818462
Energy: 1.607361765412417
Energy: 1.334715953820344
Energy: 1.7537014944053844
Energy: 1.2395151747142912
Energy: 1.3828120617151252
Energy: 1.2395151747136643
Energy: 1.7181338732882179
Energy: 1.248284968870585
Energy: 1.2501218983617335
Energy: 1.2482849688718398
Energy: 1.528769350161471
Energy: 1.2440159258224666
Energy: 1.2436311763514192
Energy: 1.244015925821212
Energy: 1.9029951899548416
Energy: 1.2477135111444562
Energy: 1.2481729971761406
Energy: 1.247713511143829
Energy: 1.5421612141893055
Energy: 1.335847411897062
Energy: 1.7234736100300079
Energy: 1.3358474118995713
Energy: 1.4264373997557354
Energy: 1.3222679697481896
Energy: 1.4637742028424985
Energy: 1.3222679697481896
Energy: 1.3153147834822847
Energy: 1.2780668169701945
Energy: 1.731363023262898
Energy: 1.2780668169708218
Energy: 1.4129394374343756
Energy: 1.245561533368922
Energy: 1.8615341668591434
Energy: 1.2455615333695493
Energy: 1.2491866152459548
Energy: 1.248064889726957
Energy: 1.862506651681002
Energy: 1.2480648897275841
Energy: 1.2847402423326821
Energy: 1.2839041625786738
Energy: 1.5418438474738134
Energy: 1.283904162578047
Energy: 1.2598622242478976
Energy: 1.2585743257230395
Energy: 1.6101740774117377
Energy: 1.2585743257224122
Energy: 1.7129767408228525
Energy: 1.2701111265714211
Energy: 1.8841509233801117
Energy: 1.270111126551975
Energy: 1.7421549650608572
Energy: 1.2607813852169243
Energy: 1.2464114061016518
Energy: 1.2607813852169243
Energy: 1.7121806461618552
Energy: 1.283593094363605
Energy: 1.2840522762657847
Energy: 1.2835930943642322
Energy: 1.5235174231159856
Energy: 1.2422211904437768
Energy: 1.2465031398274407
Energy: 1.2422211904425222

minimum gb energy = 1.2384629408231251 eV
minimum distance =  2.29356328022295 Angstroms
sigma value = 89


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

Energy: 2.277747328325801
Energy: 1.1943740215474414
Energy: 1.130665670959954
Energy: 1.1281898384034288
Energy: 1.9566892815654064
Energy: 1.2532037184065266
Energy: 1.539467067500287
Energy: 1.2532037184065266
Energy: 1.1325083020690194
Energy: 1.2324988115629611
Energy: 1.5447426474775827
Energy: 1.2324988115646027
Energy: 1.1695216471798522
Energy: 1.253317759016911
Energy: 1.1430555400573132
Energy: 1.253317759016911
Energy: 1.1430811043189228
Energy: 1.1298213967947006
Energy: 1.574103434635779
Energy: 1.1298213967947006
Energy: 1.1288845617506358
Energy: 1.1290694654786677
Energy: 1.5743611977472851
Energy: 1.1290694654786677
Energy: 1.1484232248684914
Energy: 1.1495670111339091
Energy: 1.144240341153132
Energy: 1.1495670111322676
Energy: 1.129781588251975
Energy: 1.1308820936897068
Energy: 1.9540501981583105
Energy: 1.1308820936897068
Energy: 1.541469642862343
Energy: 1.1506340759532314
Energy: 1.956387360440167
Energy: 1.1506340759548728
Energy: 1.5408449789015057
Energy: 1.2334627934055584
Energy: 1.1456783541970752
Energy: 1.2334627934071998
Energy: 1.1455458310560014
Energy: 1.2563653384636384
Energy: 1.1670996920716434
Energy: 1.2563653384636384
Energy: 1.5520395750393887
Energy: 1.1279799465229363
Energy: 1.1447922014503051
Energy: 1.1279799465229363
Energy: 1.5743398010515683
Energy: 1.1315283719181066
Energy: 1.129713712069876
Energy: 1.1315283719181066
Energy: 1.1429852886695504
Energy: 1.1508433330122816
Energy: 1.1506040271432463
Energy: 1.1508433330122816
Energy: 1.9550160423311735
Energy: 1.1304227168857728
Energy: 1.1528823843245595
Energy: 1.1304227168857728

minimum gb energy = 1.1279799465229363 eV
minimum distance =  2.29915055976729 Angstroms
sigma value = 13


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

Energy: 2.0068499132490856
Energy: 1.0760048406366225
Energy: 1.3548555369679165
Energy: 1.0769920490037805
Energy: 2.0773478191890766
Energy: 1.0736438729789008
Energy: 1.257163617170605
Energy: 1.0736438729857802
Energy: 1.7889256867226646
Energy: 1.0717860102869516
Energy: 1.2700944908922023
Energy: 1.0717860102903913
Energy: 1.5235582852768654
Energy: 1.0757884063306493
Energy: 1.4192188866201738
Energy: 1.0757884063223941
Energy: 1.5542500159179928
Energy: 1.0736719879772514
Energy: 1.6632794360287326
Energy: 1.0736719879731236
Energy: 1.2626272882379643
Energy: 1.0722268752069724
Energy: 1.6270597163451346
Energy: 1.0722268752007809
Energy: 1.2616784778847487
Energy: 1.069664583533995
Energy: 1.7664742387649282
Energy: 1.069664583533995
Energy: 1.2682540044974853
Energy: 1.070494043431556
Energy: 1.956097240850641
Energy: 1.070494043440499
Energy: 1.0765353142432645
Energy: 1.0749279496688655
Energy: 2.094272859033104
Energy: 1.0749279496681776
Energy: 1.067852025687582
Energy: 1.0685866290538946
Energy: 1.9014528374432913
Energy: 1.0685866290559585
Energy: 1.0815890294445996
Energy: 1.081291170741111
Energy: 1.7978631184837868
Energy: 1.0812911707390473
Energy: 1.6126032291312715
Energy: 1.1278092868787122
Energy: 1.9015141273312315
Energy: 1.1278092868794003
Energy: 1.6135986278299843
Energy: 1.1280383006515615
Energy: 1.430178863771683
Energy: 1.1280383006556896
Energy: 1.625630179413817
Energy: 1.131729895018407
Energy: 1.4591855232822666
Energy: 1.1317298950204706
Energy: 1.9506767354068488
Energy: 1.075818414666071
Energy: 1.4177919126691292
Energy: 1.0758184146667589
Energy: 1.9486012187368937
Energy: 1.0729162026229577
Energy: 1.0764595145432612
Energy: 1.0729162026202061
Energy: 1.8972661472560683
Energy: 1.0715337724098577
Energy: 1.071852959612748
Energy: 1.0715337724098577
Energy: 1.874050431665459
Energy: 1.0742828732781193
Energy: 1.0818349093250994
Energy: 1.0742828732808711
Energy: 2.1064428918799796
Energy: 1.0674388813324698
Energy: 1.259311055748253
Energy: 1.067438881329718
Energy: 1.7598531412310827
Energy: 1.0682525464520014
Energy: 1.269295272654946
Energy: 1.0682525464499377
Energy: 1.544471776929796
Energy: 1.2464474811162263
Energy: 1.263775757124229
Energy: 1.2464474811162263
Energy: 1.7607353396269907
Energy: 1.0694668136222343
Energy: 1.6519930874391304
Energy: 1.0694668136229222
Energy: 1.263177896661254
Energy: 1.0736668115342982
Energy: 1.663829347875685
Energy: 1.073666811534986
Energy: 1.0747630310510012
Energy: 1.068350322611725
Energy: 1.5528081217112084
Energy: 1.0683503226165405
Energy: 1.2672956291246666
Energy: 1.073890417059727
Energy: 1.95276403366919
Energy: 1.073890417059039
Energy: 1.0691600707677522
Energy: 1.0709083269103312
Energy: 1.948854122610031
Energy: 1.070908326913771
Energy: 1.0667267112589542
Energy: 1.0675831145059078
Energy: 1.8981656248781493
Energy: 1.0675831145010921
Energy: 1.079354752863757
Energy: 1.076144510270878
Energy: 1.8709987915131225
Energy: 1.0761445102722538
Energy: 1.6146160035144432
Energy: 1.0702885327751561
Energy: 1.7303307283347507
Energy: 1.0702885327724043
Energy: 1.2999519428327801
Energy: 1.1324856985283778
Energy: 1.4173029505113077
Energy: 1.1324856985283778
Energy: 1.622391146802365
Energy: 1.1368864364629592
Energy: 1.4627371259137494
Energy: 1.1368864364698386
Energy: 1.9487712089497125
Energy: 1.0728107192147647
Energy: 1.4182157700709848
Energy: 1.0728107192106369
Energy: 1.951159377754575
Energy: 1.076270570912961
Energy: 1.078817696298455
Energy: 1.0762705709150249
Energy: 1.8964197171687256
Energy: 1.0685659464410395
Energy: 1.0699403699830872
Energy: 1.0685659464389758
Energy: 2.111261313300282
Energy: 1.074436966610426
Energy: 1.0761556863944628
Energy: 1.0744369666083624

minimum gb energy = 1.0667267112589542 eV
minimum distance =  2.29000534905287 Angstroms
sigma value = 37


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

Energy: 1.7540188901092009
Energy: 0.9624650240651258
Energy: 0.938966151333232
Energy: 0.9359007125784267
Energy: 2.1491958921420498
Energy: 0.947704155413696
Energy: 1.2787588237147494
Energy: 0.9477041554125125
Energy: 1.6018883067263394
Energy: 0.9341050899942381
Energy: 1.2780125662268365
Energy: 0.9341050899942381
Energy: 1.5981260989575352
Energy: 1.4013250984002352
Energy: 1.2795550495736339
Energy: 1.4013250983990517
Energy: 1.617873660728557
Energy: 1.0480863211031295
Energy: 1.3269235115454372
Energy: 1.0480863211031295
Energy: 1.2729931391157507
Energy: 0.9345105152519172
Energy: 1.5497357564898315
Energy: 0.9345105152519172
Energy: 0.936417235258771
Energy: 0.9327659106525985
Energy: 1.8760363441450436
Energy: 0.9327659106525985
Energy: 0.9520197097842155
Energy: 0.9500875640681004
Energy: 1.8756002094986703
Energy: 0.9500875640669167
Energy: 0.9592852410557051
Energy: 0.9473575996969574
Energy: 1.8766645771690154
Energy: 0.947357599698141
Energy: 0.9471287554744141
Energy: 0.9457079759998956
Energy: 1.875835776070498
Energy: 0.9457079759987119
Energy: 0.9391435032283664
Energy: 0.9359007125086493
Energy: 1.7540188901092009
Energy: 0.9624650240651258
Energy: 1.278758823713566
Energy: 0.9477041554125125
Energy: 2.1491958921420498
Energy: 0.9477041554125125
Energy: 1.2780125662256532
Energy: 0.9341050899954219
Energy: 1.6018883067263394
Energy: 0.9341050899942381
Energy: 1.2795550495736339
Energy: 1.4013250983990517
Energy: 1.5981260989563515
Energy: 1.4013250983990517
Energy: 1.3269235115454372
Energy: 1.0480863211031295
Energy: 1.617873660728557
Energy: 1.0480863211031295
Energy: 1.549735756488648
Energy: 0.9345105152507338
Energy: 1.2729931391157507
Energy: 0.9345105152519172
Energy: 1.8760363441450436
Energy: 0.9327659106525985
Energy: 0.936417235258771
Energy: 0.9327659106514149
Energy: 1.8756002094986703
Energy: 0.9500875640681004
Energy: 0.9520197097830319
Energy: 0.9500875640681004
Energy: 1.8766645771690154
Energy: 0.947357599698141
Energy: 0.9592852410557051
Energy: 0.947357599698141
Energy: 1.875835776070498
Energy: 0.9457079759987119
Energy: 0.9471287554755978
Energy: 0.9457079759987119

minimum gb energy = 0.9327659106514149 eV
minimum distance =  2.29805220195713 Angstroms
sigma value = 25


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

Energy: 1.8113875575611942
Energy: 0.8315505235147493
Energy: 0.801217740943763
Energy: 0.8011413601287385
Energy: 2.2504510587287525
Energy: 0.8030813836928382
Energy: 1.0804776247084653
Energy: 0.803081383691914
Energy: 1.8054125818616653
Energy: 0.802365812029764
Energy: 1.0805265197872858
Energy: 0.802365812029764
Energy: 1.4219885123363631
Energy: 1.2354095208639397
Energy: 1.5952854140285135
Energy: 1.2354095208639397
Energy: 1.8187915660027067
Energy: 0.8011523989826932
Energy: 1.5799340520717713
Energy: 0.8011523989799205
Energy: 1.3610045724223678
Energy: 0.8880171451564428
Energy: 1.5812178080215844
Energy: 0.8880171451564428
Energy: 1.3585996547561088
Energy: 0.7992731605453965
Energy: 1.8198452813587669
Energy: 0.7992731605453965
Energy: 1.3734498079234267
Energy: 1.1945752048786924
Energy: 1.6162028843697587
Energy: 1.1945752048786924
Energy: 1.082551091818145
Energy: 0.7999823461043611
Energy: 2.028269093132552
Energy: 0.7999823461034369
Energy: 1.084024557905476
Energy: 0.801405714575925
Energy: 1.8206158709962001
Energy: 0.8014057145731524
Energy: 0.8007438142504827
Energy: 0.8002301743388742
Energy: 1.7603020362235038
Energy: 0.8002301743397985
Energy: 0.8035202604464083
Energy: 0.8014172911000058
Energy: 1.824257630695439
Energy: 0.8014172911009301
Energy: 0.8015131343385694
Energy: 0.8007775577863806
Energy: 2.2496343222130233
Energy: 0.8007775577854563
Energy: 1.082065918479877
Energy: 0.7992861708520554
Energy: 1.8094158024063538
Energy: 0.7992861708511312
Energy: 1.0923412643339934
Energy: 0.8018749937536886
Energy: 1.8205571837095977
Energy: 0.8018749937527644
Energy: 1.0809493314715946
Energy: 0.8017320179266091
Energy: 1.80451962152333
Energy: 0.8017320179275332
Energy: 1.5898661815295076
Energy: 1.2290525180813345
Energy: 1.8047856382171554
Energy: 1.2290525180804104
Energy: 1.1122597893693633
Energy: 0.7995672040091721
Energy: 1.8191520238549528
Energy: 0.7995672040211872
Energy: 1.5833640477515507
Energy: 0.8885417481177388
Energy: 1.3595623837201178
Energy: 0.8885417481158903
Energy: 2.0301073340554643
Energy: 0.7996488174410955
Energy: 1.360823253739965
Energy: 0.7996488174438682
Energy: 1.6174451932861282
Energy: 0.8011196418295127
Energy: 1.0822253505067867
Energy: 0.801119641581023
Energy: 2.0296510203241196
Energy: 0.799223751282556
Energy: 0.8017854479030055
Energy: 0.799223751282556
Energy: 2.028414263577709
Energy: 0.8040023215083598
Energy: 1.0822383891791048
Energy: 0.8040023215074354
Energy: 1.6196054223929464
Energy: 0.8063565806844654
Energy: 0.8070167872456359
Energy: 0.8063565806844654
Energy: 1.8179187435980235
Energy: 0.7998197940540586
Energy: 0.8008603724785646
Energy: 0.7998197940540586
Energy: 1.807321723749048
Energy: 0.803363936029631
Energy: 0.8059958693504494
Energy: 0.8033639360287068

minimum gb energy = 0.799223751282556 eV
minimum distance =  2.35888693160104 Angstroms
sigma value = 41


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

Energy: 1.948503420376703
Energy: 0.7352842842209594
Energy: 0.7094039938231512
Energy: 0.7099190471190346
Energy: 2.137131903605716
Energy: 0.707719156941816
Energy: 0.9510888056017051
Energy: 0.707719156941816
Energy: 1.9371318892965546
Energy: 0.7077747954804994
Energy: 0.9502336210683949
Energy: 0.7077747954827726
Energy: 1.5641596290943456
Energy: 0.7153072289111151
Energy: 1.3863292472419522
Energy: 0.7153072289020226
Energy: 1.9546065159808421
Energy: 0.7061512386659057
Energy: 1.375366869535341
Energy: 0.7061512386681787
Energy: 1.5581101902538808
Energy: 1.0891599333609594
Energy: 1.3746332494178832
Energy: 1.0891599333624749
Energy: 1.5598210862449722
Energy: 0.7818816222228677
Energy: 1.7561861758957342
Energy: 0.7818816222152907
Energy: 1.5720130269525572
Energy: 0.7839307930065149
Energy: 1.3939539167617203
Energy: 0.7839307930845593
Energy: 1.193065477313328
Energy: 0.7090086431019071
Energy: 1.7491790571572166
Energy: 0.7090086430239317
Energy: 1.1936267660295883
Energy: 0.7065981799142175
Energy: 1.9529839707940686
Energy: 0.7065981799127021
Energy: 0.9537597193439956
Energy: 0.7150837879052262
Energy: 1.7553956155599408
Energy: 0.7150837879052262
Energy: 0.9521686846806175
Energy: 0.7064626705956482
Energy: 2.138415962828132
Energy: 0.7064626705956482
Energy: 0.95228506984127
Energy: 0.7102546956934132
Energy: 2.1241367698509843
Energy: 0.7102546956941709
Energy: 0.717214801839484
Energy: 0.7094961935898866
Energy: 1.755611130440761
Energy: 0.7094961935823094
Energy: 0.709370113875104
Energy: 0.7076868663530002
Energy: 1.9536199328769064
Energy: 0.7076868663530002
Energy: 0.7126792331515881
Energy: 0.7100815085227414
Energy: 1.9383114367521437
Energy: 0.7100815085227414
Energy: 0.9589712223735706
Energy: 0.7140732188822667
Energy: 1.9421588727893604
Energy: 0.7140732188807514
Energy: 0.9660790849325125
Energy: 0.7076116971990147
Energy: 1.9477614621866304
Energy: 0.7076116971967417
Energy: 0.9550925416161389
Energy: 0.7107810654637337
Energy: 1.5608843299773483
Energy: 0.7107810654660068
Energy: 1.3794977960962587
Energy: 0.7083584714718482
Energy: 1.561175207541365
Energy: 0.7083584714741213
Energy: 1.3954578595292142
Energy: 0.7068190286655255
Energy: 1.7561271871767183
Energy: 0.7068190286564331
Energy: 1.3804877370482087
Energy: 0.7823030446573419
Energy: 1.560989981821901
Energy: 0.7823030446543111
Energy: 1.748480136787956
Energy: 0.7791163199697737
Energy: 1.5585986486874575
Energy: 0.7791163199697737
Energy: 1.3936406385488256
Energy: 0.7839181136252494
Energy: 1.380909307793823
Energy: 0.7839181136260073
Energy: 1.7576203658021936
Energy: 0.7068102278478618
Energy: 1.224087836690463
Energy: 0.7068102278463466
Energy: 1.7485717785092083
Energy: 0.7079707568677193
Energy: 1.3784570116164
Energy: 0.7079707568654461
Energy: 1.7506527617668173
Energy: 0.7126900659937331
Energy: 0.961140214983438
Energy: 0.7126900659944908
Energy: 1.9495157587635314
Energy: 0.7064770823207901
Energy: 0.9523319011563331
Energy: 0.7064770823192746
Energy: 1.7519325602484461
Energy: 0.7132154063880458
Energy: 0.9582659473521753
Energy: 0.7132154063888034
Energy: 1.7499166635668777
Energy: 0.7105179427775129
Energy: 0.7113220520235101
Energy: 0.7105179427775129
Energy: 1.9493496266740522
Energy: 0.7075559834584324
Energy: 0.7089183954711108
Energy: 0.7075559834591902
Energy: 1.9442394624187187
Energy: 0.7140192782413396
Energy: 0.7066652559753807
Energy: 0.7140192782436127

minimum gb energy = 0.7061512386659057 eV
minimum distance =  2.36500941660843 Angstroms
sigma value = 15


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

Energy: 1.79862053182574
Energy: 0.6633364045605981
Energy: 0.6449724302028318
Energy: 0.6449362844982176
Energy: 2.132278216926871
Energy: 0.6433671743945555
Energy: 0.8594086235693017
Energy: 0.643367174391346
Energy: 2.1108101313689733
Energy: 0.6431318699803219
Energy: 0.8612655804263013
Energy: 0.6431318699867409
Energy: 1.7924973198657315
Energy: 0.6464101547515949
Energy: 1.2388378880746889
Energy: 0.6464101547548045
Energy: 2.0447794214044936
Energy: 0.6427981146765348
Energy: 1.2281149398692208
Energy: 0.6427981147342462
Energy: 1.7836589518860428
Energy: 0.9939884548931736
Energy: 1.230633414886038
Energy: 0.9939884548918898
Energy: 1.4633488102788452
Energy: 0.9956839052476775
Energy: 1.5506876465836383
Energy: 0.9956839070011375
Energy: 1.8025523382988684
Energy: 0.9917591833463175
Energy: 1.3102084427314729
Energy: 0.9917591833456756
Energy: 1.4597411228270782
Energy: 1.2812744680665968
Energy: 1.5444726156268884
Energy: 1.2812744680710897
Energy: 1.45923212882876
Energy: 0.9590079710100047
Energy: 1.8702540714703237
Energy: 0.9590079710067951
Energy: 1.2398863400135265
Energy: 0.6462541410275765
Energy: 1.6320017713760804
Energy: 0.6462541372863678
Energy: 1.1582581671153296
Energy: 0.6403957339761422
Energy: 1.8709422003864329
Energy: 0.6403957273836719
Energy: 1.2304670977799494
Energy: 0.6410469334478046
Energy: 1.947756186165301
Energy: 0.6410469334863178
Energy: 0.8452863391139471
Energy: 0.6440055128689476
Energy: 1.6279247665089378
Energy: 0.6440055128683057
Energy: 0.8314841205306911
Energy: 0.6424922686286793
Energy: 1.9693881120211136
Energy: 0.6424922686318886
Energy: 0.8332846108257527
Energy: 0.6398858754339993
Energy: 1.9499616954197112
Energy: 0.6398858754295061
Energy: 0.7563846873339991
Energy: 0.6426650905774453
Energy: 1.9530669388130613
Energy: 0.6426650905768033
Energy: 0.7519169652495336
Energy: 0.6389457700153033
Energy: 2.0391672183328757
Energy: 0.6389457700313503
Energy: 0.7589150622502323
Energy: 0.6445121987113768
Energy: 1.7039555426251036
Energy: 0.644512198710093
Energy: 0.9696410105754197
Energy: 0.6440354380105763
Energy: 2.031868439482056
Energy: 0.6440354380060831
Energy: 0.9731949592240116
Energy: 0.639095575372596
Energy: 2.035509151687179
Energy: 0.6390955753693864
Energy: 0.970105117441298
Energy: 0.6449325326405169
Energy: 1.7900600465542185
Energy: 0.6449325326430845
Energy: 1.1987751220577685
Energy: 0.6418739725499237
Energy: 1.783488364896292
Energy: 0.6418739725467143
Energy: 1.201583131133812
Energy: 0.6403399958871072
Energy: 1.8734656482243284
Energy: 0.6403399958871072
Energy: 1.2139365806269036
Energy: 1.0017022916652345
Energy: 1.466927982363921
Energy: 1.00170229166716
Energy: 1.5462302033727169
Energy: 1.1661347105460909
Energy: 1.7987091240341087
Energy: 1.1661347105415976
Energy: 1.3021945283106704
Energy: 1.1691304245292105
Energy: 1.5448693302988028
Energy: 1.1691304245234335
Energy: 1.6410706552581733
Energy: 0.9774805298465354
Energy: 1.4656952616527772
Energy: 0.977480529849103
Energy: 1.6232813244398099
Energy: 0.9893585082484497
Energy: 1.5488033610665208
Energy: 0.9893585082490916
Energy: 1.6210195637701241
Energy: 0.6454592043990701
Energy: 1.227516162997036
Energy: 0.6454592049552944
Energy: 2.0452373128883474
Energy: 0.6423638428097722
Energy: 1.1579735549526167
Energy: 0.6423638428276868
Energy: 1.6271194531112556
Energy: 0.6478889545256432
Energy: 1.2370261175617443
Energy: 0.6478889545262851
Energy: 1.947576391556874
Energy: 0.643511536130938
Energy: 0.863841998149525
Energy: 0.6435115361277286
Energy: 2.1208666998735697
Energy: 0.6429956439443867
Energy: 0.8613034354674715
Energy: 0.6429956439514475
Energy: 1.9601643024950688
Energy: 0.651023769015059
Energy: 0.7725690195425693
Energy: 0.6510237690015793
Energy: 2.2700941703574427
Energy: 0.6449244639816561
Energy: 0.6480490488238346
Energy: 0.644924463976521
Energy: 2.109965165213149
Energy: 0.6456773038956766
Energy: 0.6488158374056675
Energy: 0.6456773038969604

minimum gb energy = 0.6389457700153033 eV
minimum distance =  2.36378126471458 Angstroms
sigma value = 85


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

Energy: 1.7995025587349927
Energy: 0.5818243816227183
Energy: 0.5535642950359393
Energy: 0.5531518081909444
Energy: 2.0757082144722
Energy: 0.5542032213316588
Energy: 0.7504768454828921
Energy: 0.5542032213311021
Energy: 1.7869050710090824
Energy: 0.5547915835210615
Energy: 0.753826532620341
Energy: 0.5547915835193915
Energy: 1.5027590514962326
Energy: 0.5524345585686955
Energy: 1.0813981725144566
Energy: 0.5524345585558912
Energy: 2.0835781163816733
Energy: 0.5527680869592217
Energy: 1.0805783214006137
Energy: 0.5527680869592217
Energy: 1.4986305671214624
Energy: 0.5535844208360646
Energy: 1.0826999895206284
Energy: 0.5535844210091254
Energy: 1.5015891406259971
Energy: 0.553644724849606
Energy: 1.367368175229387
Energy: 0.5536447249542169
Energy: 1.7949825942535855
Energy: 0.5529124641784452
Energy: 1.0833044771549176
Energy: 0.5529124641083252
Energy: 1.5004564214499791
Energy: 1.1748649850007293
Energy: 1.3622203461549123
Energy: 1.1748649850007293
Energy: 1.4999151571675169
Energy: 1.1744915592695664
Energy: 1.645530765600923
Energy: 1.1744915592712366
Energy: 1.3601472412645321
Energy: 0.9014788228488397
Energy: 1.358417809588199
Energy: 0.9014788228477264
Energy: 1.2178016237822982
Energy: 0.5528966337513185
Energy: 1.6472285155530457
Energy: 0.5528966337524319
Energy: 1.3602969112250691
Energy: 0.5535604658238288
Energy: 1.6436192660879734
Energy: 0.5535604657609459
Energy: 1.080513398064442
Energy: 0.5535729293351302
Energy: 1.3599145470199672
Energy: 0.5535729293362183
Energy: 0.9482409141666182
Energy: 0.5527964743299039
Energy: 1.9347313204308745
Energy: 0.5527964743282338
Energy: 1.0857424537957474
Energy: 0.5557377002968789
Energy: 1.6435935659617231
Energy: 0.5557377002985491
Energy: 0.7495269575590482
Energy: 0.555298213811297
Energy: 1.6465883273822561
Energy: 0.5552982138118535
Energy: 0.7526802665942598
Energy: 0.5528860885387655
Energy: 2.0808257874050464
Energy: 0.5528860885382088
Energy: 0.7482294809881564
Energy: 0.5527416685648472
Energy: 1.9345116849093411
Energy: 0.552741668563177
Energy: 0.5516680053723914
Energy: 0.5543374437891575
Energy: 1.9329314795814483
Energy: 0.5543374437891575
Energy: 0.5549809931797721
Energy: 0.553985794847839
Energy: 2.081653861020776
Energy: 0.5539857948483957
Energy: 0.5517110004356911
Energy: 0.5530102114295191
Energy: 1.79331618177699
Energy: 0.5530102114300758
Energy: 0.7540332000708889
Energy: 0.5568359577696079
Energy: 2.0740419846190226
Energy: 0.5568359577701647
Energy: 0.7548162448541297
Energy: 0.5529152309817748
Energy: 2.0848340580991374
Energy: 0.5529152309812181
Energy: 0.7484727979236463
Energy: 0.5526707523317858
Energy: 1.4985622486353019
Energy: 0.5526707523317858
Energy: 1.0813406037678315
Energy: 0.5537899272420881
Energy: 2.072357497244206
Energy: 0.5537899272426449
Energy: 1.0803210092602276
Energy: 0.5532806467997455
Energy: 1.787068423828054
Energy: 0.5532806468003023
Energy: 1.3604101498417793
Energy: 0.5533521436274415
Energy: 1.50496836700428
Energy: 0.5533521421088388
Energy: 1.3597739776592683
Energy: 0.5532426412518726
Energy: 1.9319313154183646
Energy: 0.5532426410548985
Energy: 1.3595079598589515
Energy: 1.1653775857399424
Energy: 1.500099127742518
Energy: 1.1653775857404993
Energy: 1.6520848086133013
Energy: 1.1768632250229591
Energy: 1.2169091481302132
Energy: 1.176863225023516
Energy: 1.3612887930796798
Energy: 1.1780509433913138
Energy: 1.6514816933849397
Energy: 1.1780509433913138
Energy: 1.644038550915159
Energy: 0.5541191581200287
Energy: 1.2163817053805135
Energy: 0.5541191581556328
Energy: 1.9312485846167537
Energy: 0.5529946587995784
Energy: 1.216321067005351
Energy: 0.5529946588107126
Energy: 1.3617800615756699
Energy: 0.5535185704656439
Energy: 1.232461124139662
Energy: 0.5535185704650872
Energy: 1.9302031918087703
Energy: 0.5536726472936762
Energy: 1.086099475844354
Energy: 0.5536726472931196
Energy: 1.930119075076237
Energy: 0.5539028382247857
Energy: 1.0814698297207426
Energy: 0.5539028382270126
Energy: 1.6435685058517033
Energy: 0.5520215783322957
Energy: 0.7495727096386202
Energy: 0.5520215783417598
Energy: 2.0832009493433365
Energy: 0.5530916088385416
Energy: 0.7513973409128489
Energy: 0.5530916088379848
Energy: 1.9316536962384414
Energy: 0.5532376908490703
Energy: 0.7496207181619606
Energy: 0.553237690849627
Energy: 1.6459477453437061
Energy: 0.5529033513270974
Energy: 0.5502069598990371
Energy: 0.5529033513270974
Energy: 2.0827367039608378
Energy: 0.5537277345553054
Energy: 0.554376023524544
Energy: 0.5537277345553054
Energy: 1.7888352737991
Energy: 0.553731710657918
Energy: 0.5511743738313359
Energy: 0.5537317106573613

minimum gb energy = 0.5502069598990371 eV
minimum distance =  2.36275236449156 Angstroms
sigma value = 113


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

Energy: 0.017945174877964723
Energy: 0.018746195386005752
Energy: 1.5923280478931512
Energy: 0.5629037238023947
Energy: 0.019490035847728245
Energy: 0.13475991773020884
Energy: 1.167710532116092
Energy: 0.13475991773063684
Energy: 0.01872025458429622
Energy: 0.13410732460171462
Energy: 1.1700998018947952
Energy: 0.13410732460380692
Energy: 0.020122828744652457
Energy: 0.18980725836041112
Energy: 1.2283264266140554
Energy: 0.18980725836164747
Energy: 1.1728308911903935
Energy: 0.13746920869940224
Energy: 1.1717788429417457
Energy: 0.13746920870106655
Energy: 0.018528968287336814
Energy: 0.13634697547324226
Energy: 1.2247523631166435
Energy: 0.1363469754740982

minimum gb energy = 0.017945174877964723 eV
minimum distance =  2.56114193395489 Angstroms
sigma value = 1