Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Mo__MO_230319944007_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150138273835182
cohesive_energy=6.810539053672873
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017344574357124803
Energy: 0.017642994492002722
Energy: 1.388171582974981
Energy: 0.017642962515361394
Energy: 0.01734457435629882
Energy: 0.017642961557121254
Energy: 0.01764299392890701
Energy: 5.191668791957192
Energy: 0.017642958260228193
Energy: 4.2817759276471286
Energy: 0.017642997439364365
Energy: 4.2817759276458895
Energy: 1.388171582974981
Energy: 0.017642958711494044
Energy: 0.01734457435671181
Energy: 0.017642961865903837
Energy: 1.3881715829753938
Energy: 0.01764295807130593
Energy: 0.01764296265623857
Energy: 4.2817759276467156
Energy: 0.017642966097679878
Energy: 4.2817759276471286
Energy: 0.01764296162214502
Energy: 5.700097325971018
Energy: 0.01734457435629882
Energy: 0.017642993115582224
Energy: 1.388171582975761
Energy: 0.017642961219291358
Energy: 0.01734457435629882
Energy: 0.017642962485901085
Energy: 0.01764296157286095
Energy: 4.2817759276467156
Energy: 0.017642957863064683
Energy: 5.700097325971431
Energy: 0.017642963176153364
Energy: 4.281775927645109

minimum gb energy = 0.01734457435629882 eV
minimum distance =  2.63336840641078 Angstroms
sigma value = 1


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

Energy: 2.0193783612636227
Energy: 2.2769122230281935
Energy: 2.081191988974499
Energy: 2.276912223027199
Energy: 2.0193783612636227
Energy: 2.276912223027199
Energy: 2.191428784148263
Energy: 2.2249150026524647
Energy: 2.0094911148603165
Energy: 2.2249150026524647
Energy: 2.191428784148263
Energy: 2.2249150026524647
Energy: 1.8629085245869739
Energy: 2.2260775663203876
Energy: 2.0098851493483494
Energy: 2.2260775663183994
Energy: 1.8629085245859798
Energy: 2.2260775663193937
Energy: 2.0949645380306468
Energy: 2.1846642803532896
Energy: 1.8379256584087413
Energy: 2.184664280355278
Energy: 2.0949645380306468
Energy: 2.184664280355278
Energy: 2.094967287967211
Energy: 2.2786728122254765
Energy: 2.0293299363793316
Energy: 2.278672812226471
Energy: 2.094967287968205
Energy: 2.2786728122274647
Energy: 2.0108258953994387
Energy: 2.229160266120582
Energy: 1.8714806596773461
Energy: 2.229160266121576
Energy: 2.010825895400433
Energy: 2.229160266121576
Energy: 2.0097518611502
Energy: 2.2240408876175466
Energy: 1.8638448066063587
Energy: 2.224040887615558
Energy: 2.0097518611502
Energy: 2.2240408876165523
Energy: 2.1292188985269607
Energy: 2.277636334218883
Energy: 1.8392304857391315
Energy: 2.277636334218883
Energy: 2.1292188985269607
Energy: 2.277636334218883
Energy: 2.2214209687504867
Energy: 2.177360800466789
Energy: 1.8380566624855696
Energy: 2.177360800466789
Energy: 2.2214209687494924
Energy: 2.177360800466789
Energy: 2.0121717607742613
Energy: 2.227722082007635
Energy: 1.872350342383168
Energy: 2.227722082007635
Energy: 2.0121717607742613
Energy: 2.227722082007635
Energy: 2.1282622414807038
Energy: 2.2429857795599295
Energy: 2.010521234698646
Energy: 2.2429857795589356
Energy: 2.1282622414797094
Energy: 2.2429857795589356
Energy: 1.8407984480614785
Energy: 2.2894967489478217
Energy: 1.8406778857978616
Energy: 2.2894967489478217
Energy: 1.8407984480604846
Energy: 2.2894967489478217
Energy: 2.0101724275985546
Energy: 2.2429857795599295
Energy: 2.018926519016498
Energy: 2.2429857795599295
Energy: 2.0101724275985546
Energy: 2.2429857795599295
Energy: 1.8724118241531145
Energy: 2.227681744393147
Energy: 2.0121530414057442
Energy: 2.227681744393147
Energy: 1.8724118241521206
Energy: 2.227681744393147
Energy: 1.838017948331886
Energy: 2.1773667166435353
Energy: 2.2213289071987736
Energy: 2.1773667166415476
Energy: 1.838017948331886
Energy: 2.1773667166415476
Energy: 1.8399717357638192
Energy: 2.2777843895360546
Energy: 2.129102581453071
Energy: 2.2777843895370484
Energy: 1.8399717357648135
Energy: 2.2777843895370484
Energy: 1.8637664223422001
Energy: 2.2242785504821594
Energy: 2.0097554200571697
Energy: 2.2242785504831537
Energy: 1.8637664223431945
Energy: 2.2242785504831537
Energy: 1.8717530540561513
Energy: 2.228821315629784
Energy: 2.0107721542952137
Energy: 2.2288213156307783
Energy: 1.8717530540561513
Energy: 2.2288213156307783
Energy: 2.0949507665444402
Energy: 2.278709540569897
Energy: 2.0949613543711014
Energy: 2.2787095405679088
Energy: 2.0949507665444402
Energy: 2.2787095405679088
Energy: 1.8379280951417756
Energy: 2.184848454969525
Energy: 2.094904556871905
Energy: 2.184848454970519
Energy: 1.8379280951407815
Energy: 2.184848454969525
Energy: 2.0099254075522683
Energy: 2.2260753015252157
Energy: 1.8628968749190586
Energy: 2.2260753015262096
Energy: 2.0099254075522683
Energy: 2.2260753015262096
Energy: 2.011497991685113
Energy: 2.224909056292455
Energy: 2.1913878019063535
Energy: 2.2249090562914606
Energy: 2.011497991685113
Energy: 2.2249090562914606
Energy: 2.0934996277088547
Energy: 2.2769122230281935
Energy: 2.0193783612616345
Energy: 2.276912223027199
Energy: 2.0934996277088547
Energy: 2.276912223027199

minimum gb energy = 1.8379256584087413 eV
minimum distance =  2.45474411685921 Angstroms
sigma value = 33


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

Energy: 2.5990279305329347
Energy: 2.441530852505879
Energy: 2.056662875021223
Energy: 2.441530852505879
Energy: 2.5990279305335005
Energy: 2.441530852505879
Energy: 1.9903630649332216
Energy: 2.328115887268267
Energy: 2.2989917922141947
Energy: 2.3281158872671357
Energy: 1.9903630649332216
Energy: 2.328115887266571
Energy: 1.9113047370116747
Energy: 2.3810151407151023
Energy: 2.1489865654548166
Energy: 2.3810151407139717
Energy: 1.91130473701224
Energy: 2.3810151407139717
Energy: 2.051812865861663
Energy: 2.2879121131673084
Energy: 2.1952578953897834
Energy: 2.28791211316844
Energy: 2.051812865861663
Energy: 2.287912113167874
Energy: 2.0509988826966086
Energy: 2.3512242520364492
Energy: 2.136274925593519
Energy: 2.3512242520370146
Energy: 2.050998882697174
Energy: 2.3512242520370146
Energy: 2.136431938584406
Energy: 2.3438368818187305
Energy: 1.9436802726607354
Energy: 2.343836881818165
Energy: 2.136431938584406
Energy: 2.343836881818165
Energy: 2.1364062129309516
Energy: 2.3439505355939763
Energy: 2.2374273822036317
Energy: 2.3439505355928456
Energy: 2.1364062129303862
Energy: 2.3439505355928456
Energy: 1.9444731837837417
Energy: 2.34762172819559
Energy: 2.510090650467658
Energy: 2.347621728196155
Energy: 1.9444731837848213
Energy: 2.347621728196155
Energy: 1.9980555886151576
Energy: 2.287190629149738
Energy: 2.132347868194346
Energy: 2.287190629149738
Energy: 1.9980555886151576
Energy: 2.287190629149738
Energy: 1.9776387870190157
Energy: 2.4182303071871374
Energy: 1.9979374608850486
Energy: 2.4182303071877027
Energy: 1.9776387870184504
Energy: 2.4182303071871374
Energy: 1.9895082501529289
Energy: 2.344706702890262
Energy: 2.262446598663059
Energy: 2.344706702890262
Energy: 1.9895082501523635
Energy: 2.344706702889696
Energy: 2.148978284465326
Energy: 2.347642523852934
Energy: 2.0127772112819766
Energy: 2.3476425238546303
Energy: 2.148978284464195
Energy: 2.3476425238546303
Energy: 2.3897253099185334
Energy: 2.2727616979540506
Energy: 1.989666432044031
Energy: 2.272761697953485
Energy: 2.3897253099185334
Energy: 2.272761697953485
Energy: 2.1604657274267627
Energy: 2.4142590334002607
Energy: 2.599157888759996
Energy: 2.414259033399696
Energy: 2.160465727426198
Energy: 2.414259033399696
Energy: 2.1501788495784377
Energy: 2.3891712853832665
Energy: 2.2542766988104197
Energy: 2.3891712853843976
Energy: 2.1501788495784377
Energy: 2.3891712853843976
Energy: 2.149172018517569
Energy: 2.3466609432234447
Energy: 1.971839917032945
Energy: 2.346660943224576
Energy: 2.1491720185181347
Energy: 2.346660943224576
Energy: 2.193205116086788
Energy: 2.3459231934112927
Energy: 1.9976156736097992
Energy: 2.3459231934096483
Energy: 2.193205116086788
Energy: 2.3459231934096483
Energy: 2.192973483773859
Energy: 2.3356727443734515
Energy: 2.4179292173879987
Energy: 2.3356727443734515
Energy: 2.192973483773859
Energy: 2.3356727443734515
Energy: 1.9436673624389158
Energy: 2.3491883680943144
Energy: 2.3522860316559244
Energy: 2.349188368093749
Energy: 1.9436673624383505
Energy: 2.349188368093749
Energy: 1.9981426475909676
Energy: 2.2872618000211076
Energy: 2.2802627339162562
Energy: 2.2872618000216725
Energy: 1.9981426475904023
Energy: 2.2872618000216725
Energy: 2.139090478919582
Energy: 2.4175287093545674
Energy: 2.0177358089812665
Energy: 2.4175287093540025
Energy: 2.1390904789201475
Energy: 2.4175287093540025
Energy: 1.9915508856006718
Energy: 2.3425455267489377
Energy: 2.285662424735709
Energy: 2.3425455267500683
Energy: 1.9915508855995412
Energy: 2.3425455267489377
Energy: 1.9973028037757894
Energy: 2.3476960311390043
Energy: 2.073152226130442
Energy: 2.347696031138438
Energy: 1.9973028037769203
Energy: 2.3476960311390043
Energy: 2.327988732327048
Energy: 2.333068400332271
Energy: 2.0975318939716336
Energy: 2.3330684003317055
Energy: 2.327988732327048
Energy: 2.333068400332271
Energy: 2.105531168545534
Energy: 2.3427882356966374
Energy: 2.1491100854610248
Energy: 2.342788235698334
Energy: 2.1055311685449687
Energy: 2.3427882356977676
Energy: 2.598064485216704
Energy: 2.4173251278463446
Energy: 2.0102901467536314
Energy: 2.4173251278474757
Energy: 2.598064485216704
Energy: 2.41732512784691
Energy: 2.598148145546605
Energy: 2.417327360137112
Energy: 2.0847972458867146
Energy: 2.4173273601382426
Energy: 2.5981481455454736
Energy: 2.4173273601388083
Energy: 2.1058082052758547
Energy: 2.3439667708091383
Energy: 2.149109042511293
Energy: 2.3439667708108347
Energy: 2.1058082052764204
Energy: 2.3439667708108347
Energy: 2.3280373720248386
Energy: 2.333139808693155
Energy: 2.097477540870147
Energy: 2.333139808691459
Energy: 2.3280373720248386
Energy: 2.3331398086920245
Energy: 1.9972874032205465
Energy: 2.3478210904206573
Energy: 2.1928378900895975
Energy: 2.3478210904189605
Energy: 1.9972874032205465
Energy: 2.3478210904183956
Energy: 2.122397660327899
Energy: 2.3425455267517648
Energy: 2.285771906466671
Energy: 2.34254552675341
Energy: 2.122397660327899
Energy: 2.3425455267528443
Energy: 2.139092006173661
Energy: 2.417263565031017
Energy: 2.017773037112437
Energy: 2.417263565031017
Energy: 2.1390920061742267
Energy: 2.417263565031017
Energy: 1.9979469742254936
Energy: 2.287458058136612
Energy: 2.2803035869465975
Energy: 2.2874580581337853
Energy: 1.9979469742249283
Energy: 2.2874580581354818
Energy: 1.9436634215154012
Energy: 2.3491806464324068
Energy: 2.373785709676149
Energy: 2.3491806464335374
Energy: 1.9436634215159672
Energy: 2.3491806464335374
Energy: 2.1928950285898656
Energy: 2.3358228368500584
Energy: 2.2540358524800923
Energy: 2.3358228368483624
Energy: 2.1928950285893003
Energy: 2.3358228368483624
Energy: 2.1932711319788547
Energy: 2.3460995367497035
Energy: 1.997851180790646
Energy: 2.3460995367480066
Energy: 2.1932711319788547
Energy: 2.3460995367480066
Energy: 2.149166464751324
Energy: 2.3466611763297403
Energy: 2.052124530444775
Energy: 2.3466611763291754
Energy: 2.149166464750758
Energy: 2.3466611763297403
Energy: 2.1504185475582465
Energy: 2.3890599630732727
Energy: 2.2564003861847297
Energy: 2.3890599630721416
Energy: 2.1504185475582465
Energy: 2.3890599630715763
Energy: 2.1604413295113147
Energy: 2.4139419818145043
Energy: 2.5990804430943544
Energy: 2.4139419818128083
Energy: 2.16044132951188
Energy: 2.4139419818122425
Energy: 2.38966795286314
Energy: 2.272554725887449
Energy: 1.9903836933499752
Energy: 2.272554725887449
Energy: 2.38966795286201
Energy: 2.272554725886883
Energy: 2.1490155042608325
Energy: 2.3478042350176347
Energy: 2.0527826377604
Energy: 2.3478042350170694
Energy: 2.1490155042613983
Energy: 2.3478042350170694

minimum gb energy = 1.9113047370116747 eV
minimum distance =  2.44682733673471 Angstroms
sigma value = 51


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

Energy: 2.229101681273093
Energy: 2.229081311481591
Energy: 2.2455456562563376
Energy: 2.229081311482901
Energy: 2.229101681273093
Energy: 2.229081311482901
Energy: 1.930227826445299
Energy: 2.4721345603488327
Energy: 2.526900114453337
Energy: 2.472134560372415
Energy: 1.9302278264466093
Energy: 2.472134560395939
Energy: 1.929058251247823
Energy: 2.2488580957417823
Energy: 2.4166025785408305
Energy: 2.2488580957430924
Energy: 1.929058251247823
Energy: 2.2488580957430924
Energy: 1.949365433519495
Energy: 2.3454289323312882
Energy: 2.4166250317216287
Energy: 2.345428932329978
Energy: 1.949365433519495
Energy: 2.345428932329978
Energy: 1.9479897999508917
Energy: 2.345068310267677
Energy: 2.416755573463559
Energy: 2.345068310268987
Energy: 1.9479897999508917
Energy: 2.345068310268987
Energy: 2.229337543584444
Energy: 2.344956150202108
Energy: 2.4910765374545085
Energy: 2.344956150203418
Energy: 2.229337543584444
Energy: 2.344956150202108
Energy: 2.229155250623311
Energy: 2.344936926570066
Energy: 2.6594320729410015
Energy: 2.3449369265713766
Energy: 2.229155250622001
Energy: 2.3449369265713766
Energy: 1.9507993633561058
Energy: 2.3450055275382162
Energy: 1.894450828209525
Energy: 2.3450055275342856
Energy: 1.9507993633561058
Energy: 2.3450055275342856
Energy: 2.514380243002802
Energy: 2.4543060968703934
Energy: 1.9385140094499913
Energy: 2.4543060968690837
Energy: 2.514380243004112
Energy: 2.4543060968690837
Energy: 1.9286854535051263
Energy: 2.249331655013147
Energy: 1.8945298717866348
Energy: 2.249331655014457
Energy: 1.9286854535051263
Energy: 2.249331655014457
Energy: 2.472615494499125
Energy: 2.3453211236930467
Energy: 2.6598016368291115
Energy: 2.3453211236956673
Energy: 2.472615494499125
Energy: 2.3453211236956673
Energy: 2.2293016869012954
Energy: 2.2294440233173423
Energy: 2.4910087897410658
Energy: 2.2294440233173423
Energy: 2.2293016868999858
Energy: 2.2294440233186523
Energy: 2.097491277507414
Energy: 2.3637128743503903
Energy: 2.416876913121343
Energy: 2.363712874353011
Energy: 2.097491277507414
Energy: 2.363712874353011
Energy: 1.9287621607852656
Energy: 2.3285277856068025
Energy: 2.416532408310604
Energy: 2.328527785605492
Energy: 1.9287621607865757
Energy: 2.328527785605492
Energy: 1.9287293487598491
Energy: 2.327737919839842
Energy: 2.4168397730943143
Energy: 2.327737919841152
Energy: 1.9287293487585389
Energy: 2.327737919841152
Energy: 1.9303675361818808
Energy: 2.365593636573421
Energy: 2.4165443839325618
Energy: 2.365593636573421
Energy: 1.9303675361818808
Energy: 2.365593636573421
Energy: 2.228919989376631
Energy: 2.2293366894889735
Energy: 2.4884190898873446
Energy: 2.2293366894889735
Energy: 2.228919989376631
Energy: 2.2293366894889735
Energy: 2.2291667628300047
Energy: 2.3449383900223655
Energy: 2.6607414030278718
Energy: 2.3449383900210554
Energy: 2.2291667603378786
Energy: 2.3449383900210554

minimum gb energy = 1.894450828209525 eV
minimum distance =  2.42967719859872 Angstroms
sigma value = 19


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

Energy: 2.4473129751457106
Energy: 2.5271270305568976
Energy: 2.4208652386785423
Energy: 2.5271270305568976
Energy: 2.4473129751457106
Energy: 2.5271270305568976
Energy: 2.0969211674821007
Energy: 2.566021526116784
Energy: 2.294809216484083
Energy: 2.5660215261160064
Energy: 2.0969211674821007
Energy: 2.5660215261160064
Energy: 1.9687720322661977
Energy: 2.5222640041499833
Energy: 2.1653889585666577
Energy: 2.5222640041492066
Energy: 1.9687720322661977
Energy: 2.5222640041492066
Energy: 2.270538073204539
Energy: 2.481252702916249
Energy: 2.4769053205086213
Energy: 2.4812527029154725
Energy: 2.270538073204539
Energy: 2.4812527029154725
Energy: 2.0377128887277913
Energy: 2.525266881059609
Energy: 2.410168496756737
Energy: 2.525266881059609
Energy: 2.0377128887285685
Energy: 2.525266881059609
Energy: 2.509546360455632
Energy: 2.525354649274423
Energy: 2.0377108466518865
Energy: 2.5253546492752004
Energy: 2.5095463604548547
Energy: 2.525354649274423
Energy: 2.4768258740265505
Energy: 2.481206869579794
Energy: 2.037177783941967
Energy: 2.4812068695805714
Energy: 2.4768258740265505
Energy: 2.4812068695805714
Energy: 2.1653541496279276
Energy: 2.5221785899280165
Energy: 1.9688957558416036
Energy: 2.5221785899280165
Energy: 2.1653541496279276
Energy: 2.5221785899280165
Energy: 2.2947837291617605
Energy: 2.566138480333329
Energy: 2.2171024171922302
Energy: 2.566138480333329
Energy: 2.2947837291617605
Energy: 2.566138480334106
Energy: 2.4208652386793195
Energy: 2.527127030556121
Energy: 2.447312975146488
Energy: 2.527127030555343
Energy: 2.4208652386793195
Energy: 2.527127030555343
Energy: 2.2948092164825287
Energy: 2.5660215261160064
Energy: 2.096921167480546
Energy: 2.5660215261160064
Energy: 2.2948092164825287
Energy: 2.5660215261160064
Energy: 2.1653889585674344
Energy: 2.5222640041492066
Energy: 1.968772032266975
Energy: 2.5222640041492066
Energy: 2.1653889585674344
Energy: 2.5222640041492066
Energy: 2.4769053205086213
Energy: 2.4812527029154725
Energy: 2.2705380732037614
Energy: 2.4812527029154725
Energy: 2.4769053205086213
Energy: 2.4812527029154725
Energy: 2.299575852382943
Energy: 2.525266881059609
Energy: 2.0377128887285685
Energy: 2.525266881059609
Energy: 2.299575852382943
Energy: 2.5252668810603858
Energy: 2.037710846651109
Energy: 2.5253546492752004
Energy: 2.509546360455632
Energy: 2.5253546492752004
Energy: 2.0377108466503318
Energy: 2.5253546492752004
Energy: 2.0371777839427443
Energy: 2.4812068695790175
Energy: 2.4768258740281053
Energy: 2.4812068695774627
Energy: 2.0371777839427443
Energy: 2.48120686957824
Energy: 1.9688957558408264
Energy: 2.522178589930348
Energy: 2.165354149625596
Energy: 2.522178589930348
Energy: 1.9688957558408264
Energy: 2.522178589930348
Energy: 2.2171024171914535
Energy: 2.566138480333329
Energy: 2.2947837291625377
Energy: 2.566138480333329
Energy: 2.2171024171914535
Energy: 2.566138480333329
Energy: 2.4473129751457106
Energy: 2.5271270305568976
Energy: 2.2164126801742947
Energy: 2.527127030556121
Energy: 2.4473129751457106
Energy: 2.5271270305568976
Energy: 2.0969211674821007
Energy: 2.5660215261160064
Energy: 2.2948092164833063
Energy: 2.5660215261160064
Energy: 2.0969211674813235
Energy: 2.5660215261160064
Energy: 1.9687720322661977
Energy: 2.5222640041499833
Energy: 2.1653889585666577
Energy: 2.5222640041499833
Energy: 1.9687720322661977
Energy: 2.5222640041499833
Energy: 2.270538073204539
Energy: 2.4812527029154725
Energy: 2.4769053205086213
Energy: 2.481252702916249
Energy: 2.270538073204539
Energy: 2.481252702916249
Energy: 2.0377128887277913
Energy: 2.525266881059609
Energy: 2.2995758523837204
Energy: 2.525266881059609
Energy: 2.0377128887285685
Energy: 2.525266881059609
Energy: 2.5095463604548547
Energy: 2.5253546492736465
Energy: 2.037710846652663
Energy: 2.5253546492736465
Energy: 2.5095463604548547
Energy: 2.5253546492736465
Energy: 2.4768258740265505
Energy: 2.4812068695805714
Energy: 2.037177783941967
Energy: 2.481206869579794
Energy: 2.4768258740265505
Energy: 2.481206869579794
Energy: 2.1653541496279276
Energy: 2.5221785899280165
Energy: 1.9688957558416036
Energy: 2.5221785899280165
Energy: 2.1653541496279276
Energy: 2.5221785899280165
Energy: 2.2947837291617605
Energy: 2.566138480334106
Energy: 2.2171024171922302
Energy: 2.566138480333329
Energy: 2.2947837291625377
Energy: 2.566138480333329
Energy: 2.2413221921434654
Energy: 2.527127030555343
Energy: 2.4473129751472653
Energy: 2.527127030556121
Energy: 2.2413221921426882
Energy: 2.527127030556121
Energy: 2.2948092164825287
Energy: 2.5660215261160064
Energy: 2.0969211674813235
Energy: 2.566021526116784
Energy: 2.2948092164833063
Energy: 2.5660215261160064
Energy: 2.1653889585674344
Energy: 2.5222640041492066
Energy: 1.968772032266975
Energy: 2.5222640041499833
Energy: 2.1653889585682116
Energy: 2.5222640041499833

minimum gb energy = 1.9687720322661977 eV
minimum distance =  2.40592946330063 Angstroms
sigma value = 27


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

Energy: 1.798292546566145
Energy: 2.372913039661977
Energy: 2.6556554816848745
Energy: 2.372913039661977
Energy: 1.798292546566145
Energy: 2.372913039661977
Energy: 1.795895813442958
Energy: 2.1539078280392543
Energy: 1.9225187241087818
Energy: 2.1539078280392543
Energy: 1.795895813442958
Energy: 2.1539078280411577
Energy: 1.8826860666041523
Energy: 2.739104061341349
Energy: 1.884615171326165
Energy: 2.739104061341349
Energy: 1.8826860666041523
Energy: 2.739104061341349
Energy: 1.7977839954633683
Energy: 2.4938469201675404
Energy: 1.8818018899624078
Energy: 2.4938469201675404
Energy: 1.7977839954633683
Energy: 2.4938469201675404
Energy: 1.9240908109750703
Energy: 2.373473795212269
Energy: 2.179516955660858
Energy: 2.373473795212269
Energy: 1.9240908109750703
Energy: 2.373473795212269
Energy: 1.8817171872090495
Energy: 2.254323104906647
Energy: 1.9225704421041536
Energy: 2.2543231049085506
Energy: 1.8817171872090495
Energy: 2.2543231049085506
Energy: 1.92250370454736
Energy: 2.289998016960399
Energy: 1.8818923890320565
Energy: 2.289998016960399
Energy: 1.92250370454736
Energy: 2.289998016960399
Energy: 1.7981080297047018
Energy: 2.3892691162404383
Energy: 1.9212370055444619
Energy: 2.3892691162404383
Energy: 1.7981080297047018
Energy: 2.3892691162404383
Energy: 1.8818074480731033
Energy: 2.500108588919613
Energy: 1.973925921496051
Energy: 2.500108588919613
Energy: 1.8818074480750069
Energy: 2.500108588919613
Energy: 1.8815704582245614
Energy: 2.8297223572115606
Energy: 1.881585477603366
Energy: 2.8297223572115606
Energy: 1.8815704582245614
Energy: 2.8297223572115606
Energy: 1.9225243532688507
Energy: 2.5000964322038164
Energy: 1.8817087022530845
Energy: 2.5000964322038164
Energy: 1.9225243532688507
Energy: 2.5000964322038164
Energy: 1.9211133268619531
Energy: 2.3891364816269736
Energy: 1.7980316452723741
Energy: 2.3891364816269736
Energy: 1.9211133268619531
Energy: 2.3891364816269736

minimum gb energy = 1.795895813442958 eV
minimum distance =  2.42738090216388 Angstroms
sigma value = 9


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

Energy: 2.4953391375541996
Energy: 2.716045755361611
Energy: 2.1680700688617547
Energy: 2.7160457553600064
Energy: 2.4953391375547342
Energy: 2.7160457553600064
Energy: 2.243202227819643
Energy: 2.6096098987026752
Energy: 2.052809344940881
Energy: 2.576538329002686
Energy: 2.243202227818573
Energy: 2.60960989870428
Energy: 2.0239735522642737
Energy: 2.725034793057466
Energy: 2.051183025885384
Energy: 2.7250347930590704
Energy: 2.0239735522637385
Energy: 2.7250347930596055
Energy: 1.982310074528133
Energy: 2.6857796874564674
Energy: 1.9085787407956758
Energy: 2.6857796874559323
Energy: 1.9823100745275977
Energy: 2.6857796874559323
Energy: 1.978514964983319
Energy: 2.638691268165492
Energy: 1.9386385866129092
Energy: 2.638691268166562
Energy: 1.978514964983319
Energy: 2.6386912681676313
Energy: 1.932668254435992
Energy: 2.438253488469421
Energy: 2.025943483467771
Energy: 2.5405327651394
Energy: 1.9326682544354574
Energy: 2.4382534884667466
Energy: 2.3763625209731947
Energy: 2.5928932695589837
Energy: 2.216489235475997
Energy: 2.5928932695557743
Energy: 2.3763625209715906
Energy: 2.592893269555239
Energy: 2.2452056330735304
Energy: 2.603754221198898
Energy: 2.106699557945507
Energy: 2.603754221198898
Energy: 2.245205633072995
Energy: 2.603754221198363
Energy: 2.251020623252736
Energy: 2.4734272730475975
Energy: 2.1193331943601783
Energy: 2.4734272730486677
Energy: 2.251020623251131
Energy: 2.473427273048132
Energy: 2.236053463584722
Energy: 2.6080060299514267
Energy: 1.9781482028295576
Energy: 2.608006029950357
Energy: 2.2360534635852565
Energy: 2.608006029950892
Energy: 2.219791020735967
Energy: 2.6241760090136483
Energy: 2.052816129078981
Energy: 2.6241760090125785
Energy: 2.2197910207365013
Energy: 2.6241760090131137
Energy: 2.053549347949843
Energy: 2.6622961296567
Energy: 2.023925991756497
Energy: 2.6622961296567
Energy: 2.0535493479482385
Energy: 2.6622961296567
Energy: 1.9288410613281777
Energy: 2.4385787132812786
Energy: 1.9168715052990188
Energy: 2.4385787132807435
Energy: 1.9288410613281777
Energy: 2.438578713282348
Energy: 2.379430408460456
Energy: 2.6591444640659034
Energy: 2.494911216450962
Energy: 2.6591444640659034
Energy: 2.379430408462596
Energy: 2.6591444640659034
Energy: 2.050793293561983
Energy: 2.6861596676919706
Energy: 2.128407403399687
Energy: 2.6861596676919706
Energy: 2.050793293561448
Energy: 2.6861596676919706
Energy: 2.1814042297052776
Energy: 2.6130583846231605
Energy: 2.0238872271484496
Energy: 2.613058384622091
Energy: 2.1814042297058127
Energy: 2.613058384621556
Energy: 2.234993715456379
Energy: 2.60930942001561
Energy: 1.9783857876284805
Energy: 2.6093094200166798
Energy: 2.2349937154558432
Energy: 2.6093094200166798
Energy: 2.0467262634771997
Energy: 2.611110663227605
Energy: 2.0535134096248995
Energy: 2.611110663227605
Energy: 2.046726263477735
Energy: 2.611110663227605
Energy: 2.243539096703511
Energy: 2.6582561019221096
Energy: 1.9287577389682242
Energy: 2.6582561019226443
Energy: 2.243539096703511
Energy: 2.6582561019226443
Energy: 1.9289946451362678
Energy: 2.6944181811204966
Energy: 1.928813156608054
Energy: 2.694418181118357
Energy: 1.9289946451362678
Energy: 2.714592990293393
Energy: 1.9288181503176862
Energy: 2.6583036680087653
Energy: 2.2436189677884895
Energy: 2.658303668009835
Energy: 1.9288181503176862
Energy: 2.65830366801037
Energy: 2.053638237458964
Energy: 2.611342137213698
Energy: 2.046776895379577
Energy: 2.611342137213162
Energy: 2.053638237459499
Energy: 2.6113421372126275
Energy: 1.9783748455174155
Energy: 2.609643473460554
Energy: 2.242400825439731
Energy: 2.609643473461624
Energy: 1.9783748455174155
Energy: 2.609643473461624
Energy: 2.0237703190961427
Energy: 2.613077521677496
Energy: 2.1811996011827883
Energy: 2.613077521677496
Energy: 2.0237703190961427
Energy: 2.613077521677496
Energy: 2.128448619687288
Energy: 2.685870988049938
Energy: 2.0509341264007506
Energy: 2.6858709880488685
Energy: 2.128448619687822
Energy: 2.6858709880488685
Energy: 2.4947628132854636
Energy: 2.6591700530141846
Energy: 2.3793829856165596
Energy: 2.659170053014719
Energy: 2.4947628132859982
Energy: 2.659170053014719
Energy: 1.9167995134070615
Energy: 2.43854850165715
Energy: 1.928866546635408
Energy: 2.438548501658754
Energy: 1.916799513406526
Energy: 2.438548501658754
Energy: 2.023847217368342
Energy: 2.662312487625219
Energy: 2.053544578943194
Energy: 2.662312487625219
Energy: 2.023847217368342
Energy: 2.662312487625754
Energy: 2.052801017865006
Energy: 2.6245176197253275
Energy: 2.321049973099614
Energy: 2.6245176197253275
Energy: 2.0528010178655407
Energy: 2.6245176197253275
Energy: 1.978100979330014
Energy: 2.6088995711734655
Energy: 2.2360882807737976
Energy: 2.608899571174535
Energy: 1.9781009793294793
Energy: 2.608899571174535
Energy: 2.051545339743025
Energy: 2.4734272730502718
Energy: 2.250589953268227
Energy: 2.4734272730508065
Energy: 2.05154533974249
Energy: 2.4734272730502718
Energy: 2.1066469260808582
Energy: 2.6037007823687257
Energy: 2.2455290207617296
Energy: 2.6037007823687257
Energy: 2.106646926081393
Energy: 2.60370078236819
Energy: 2.216309906298713
Energy: 2.5929268313399656
Energy: 2.376407578487487
Energy: 2.5929268313394305
Energy: 2.216309906298178
Energy: 2.5929268313394305
Energy: 2.025686722854251
Energy: 2.5213623323611785
Energy: 1.932626518165134
Energy: 2.521362332360644
Energy: 2.02568672285639
Energy: 2.521362332360644
Energy: 1.9088992466156676
Energy: 2.6384964606485903
Energy: 1.978518715208743
Energy: 2.6384964606459156
Energy: 1.9088992466151322
Energy: 2.6384964606453813
Energy: 1.9085524481657747
Energy: 2.685547165952188
Energy: 1.9823099297210274
Energy: 2.685547165950584
Energy: 1.90855244816524
Energy: 2.685547165951654
Energy: 2.051165925978052
Energy: 2.7250380679975246
Energy: 2.023975931121107
Energy: 2.7250380679953854
Energy: 2.051165925978052
Energy: 2.7250380679953854
Energy: 2.052285842859266
Energy: 2.5377143347473425
Energy: 2.243077290471664
Energy: 2.5377143347462727
Energy: 2.052285842858731
Energy: 2.5377143347462727
Energy: 2.080244912277027
Energy: 2.7160457553600064
Energy: 2.495339137553665
Energy: 2.7160457553589366
Energy: 2.0802449122780966
Energy: 2.7160457553589366
Energy: 2.052809344939811
Energy: 2.60960989870428
Energy: 2.243202227818573
Energy: 2.60960989870321
Energy: 2.052809344939276
Energy: 2.60960989870321
Energy: 2.0511830258843147
Energy: 2.7250347930596055
Energy: 2.0239735522637385
Energy: 2.725034793058001
Energy: 2.0511830258843147
Energy: 2.725034793058001
Energy: 1.908578740795141
Energy: 2.685779687458072
Energy: 1.9823100745275977
Energy: 2.6857796874591418
Energy: 1.908578740795141
Energy: 2.685779687458607
Energy: 2.131036936162053
Energy: 2.6386912681670966
Energy: 1.978514964983854
Energy: 2.6386912681676313
Energy: 2.1310369361641923
Energy: 2.6386912681676313

minimum gb energy = 1.90855244816524 eV
minimum distance =  2.37790660884329 Angstroms
sigma value = 57


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

Energy: 2.122609028128348
Energy: 1.9971332410401477
Energy: 2.0058682749426655
Energy: 1.9971332410401477
Energy: 2.122609028128348
Energy: 1.997133241041365
Energy: 2.707848063664839
Energy: 2.5947318979988703
Energy: 1.805270896039679
Energy: 2.5947318979976526
Energy: 2.707848063663622
Energy: 2.5947318979976526
Energy: 1.7461515936454441
Energy: 2.491661975807676
Energy: 1.8065812802371979
Energy: 2.491661975807676
Energy: 1.7461515936454441
Energy: 2.4916619758064584
Energy: 1.8067924767286778
Energy: 1.807759739908062
Energy: 1.8182187075356824
Energy: 1.807759739908062
Energy: 1.8067924767286778
Energy: 1.807759739908062
Energy: 1.8058771155928848
Energy: 2.1753320999282546
Energy: 1.9377108504615412
Energy: 2.1753320999294723
Energy: 1.8058771155928848
Energy: 2.175332099925819
Energy: 2.771924339830674
Energy: 2.4921693854021463
Energy: 1.746901339945185
Energy: 2.492169385400928
Energy: 2.771924339830674
Energy: 2.492169385400928
Energy: 2.771905298759597
Energy: 2.492058963404557
Energy: 1.7469110136730257
Energy: 2.4920589634057744
Energy: 2.771905298759597
Energy: 2.492058963406992
Energy: 1.8058764272032701
Energy: 2.17553978026539
Energy: 1.9372028835146575
Energy: 2.175539771062334
Energy: 1.805876427204432
Energy: 2.1755397848085307
Energy: 1.8066398166829232
Energy: 1.8073199839489569
Energy: 1.8055055053579518
Energy: 1.8073199839489569
Energy: 1.8066398166829232
Energy: 1.8073199839489569
Energy: 1.7461356965729473
Energy: 2.491651855818913
Energy: 1.8071846792109088
Energy: 2.491651855818913
Energy: 1.7461356965729473
Energy: 2.491651855818913
Energy: 2.7079766423814537
Energy: 2.5947318979976526
Energy: 1.8948296160609666
Energy: 2.5947318979988703
Energy: 2.7079766423814537
Energy: 2.5947318979988703
Energy: 2.122609028128348
Energy: 1.9971332410401477
Energy: 1.8985182606289075
Energy: 1.997133241041365
Energy: 2.122609028128348
Energy: 1.9971332410401477
Energy: 2.707848063664839
Energy: 2.5947318979976526
Energy: 1.805270896039679
Energy: 2.5947318979988703
Energy: 2.707848063664839
Energy: 2.5947318979988703
Energy: 1.7461515936454441
Energy: 2.491661975807676
Energy: 1.8065812802384154
Energy: 2.491661975807676
Energy: 1.7461515936454441
Energy: 2.4916619758064584
Energy: 1.8067924767286778
Energy: 1.807759739908062
Energy: 1.8182187075356824
Energy: 1.807759739908062
Energy: 1.8067924767286778
Energy: 1.807759739908062
Energy: 1.8058771155928848
Energy: 2.1753320999294723
Energy: 1.937710850459106
Energy: 2.1753320999282546
Energy: 1.8058771155928848
Energy: 2.175332099925819
Energy: 2.771924339830674
Energy: 2.492169385400928
Energy: 1.7469013399439672
Energy: 2.4921693854021463
Energy: 2.771924339830674
Energy: 2.4921693854021463
Energy: 2.771905298759597
Energy: 2.4920589634057744
Energy: 1.7469110136730257
Energy: 2.492058963404557
Energy: 2.771905298759597
Energy: 2.492058963404557
Energy: 1.8058764272032701
Energy: 2.175539782833324
Energy: 1.8184935263739348
Energy: 2.1755397696737124
Energy: 1.805876427204432
Energy: 2.1755397902826576

minimum gb energy = 1.7461356965729473 eV
minimum distance =  2.37030607889541 Angstroms
sigma value = 11


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

Energy: 1.8949206673920043
Energy: 2.49951436273506
Energy: 1.997467278956882
Energy: 2.4995143627359515
Energy: 1.8949206673920043
Energy: 2.4995143627359515
Energy: 2.718047213734647
Energy: 2.357638010955654
Energy: 1.6525204449768829
Energy: 2.3576380109574377
Energy: 2.718047213734647
Energy: 2.3576380109592217
Energy: 1.8864661512379617
Energy: 2.0324850077977388
Energy: 1.9179416228361845
Energy: 2.0324849361507304
Energy: 1.8864661512379617
Energy: 2.032485000404675
Energy: 2.010737492475466
Energy: 2.035630766947795
Energy: 1.6519518941384033
Energy: 2.035630767241143
Energy: 2.010737492475466
Energy: 2.035630766452151
Energy: 1.652077955655568
Energy: 2.5195294801717454
Energy: 1.6853326651722706
Energy: 2.519529480172637
Energy: 1.652077955655568
Energy: 2.519529480172637
Energy: 1.687887666001653
Energy: 2.43478423531483
Energy: 1.652493875609841
Energy: 2.434784235313938
Energy: 1.6878876660025453
Energy: 2.434784235313938
Energy: 1.6853204337751801
Energy: 2.4304295411567454
Energy: 1.6523731217164965
Energy: 2.4304295411549615
Energy: 1.6853204337760719
Energy: 2.4304295411549615
Energy: 2.394388444377964
Energy: 2.4832033195854573
Energy: 1.6857534540758845
Energy: 2.483203319583674
Energy: 2.394388444377964
Energy: 2.4832033195845655
Energy: 2.393294847813288
Energy: 2.481300236604717
Energy: 2.1970436746462196
Energy: 2.4813002366029333
Energy: 2.393294847813288
Energy: 2.4813002366011494
Energy: 1.6878775692226922
Energy: 2.429690140877975
Energy: 1.6523833159706753
Energy: 2.429690140881542
Energy: 1.6878775692218002
Energy: 2.429690140881542
Energy: 1.6858369907952135
Energy: 2.482787132647879
Energy: 1.6523662110773423
Energy: 2.4827871326469872
Energy: 1.6858369907969974
Energy: 2.4827871326469872
Energy: 1.6547439550442693
Energy: 2.4808039306124
Energy: 1.6521409411421162
Energy: 2.4808039306106164
Energy: 1.6547439550451613
Energy: 2.4808039306106164
Energy: 2.383036609750412
Energy: 1.6865609696037194
Energy: 1.763087167062115
Energy: 1.6865609696037194
Energy: 2.383036609750412
Energy: 1.6865609696046113
Energy: 1.888990467917628
Energy: 1.8886784414449438
Energy: 1.6853706383786908
Energy: 1.8886784414369167
Energy: 1.888990467917628
Energy: 1.8886784414502948
Energy: 2.718247436827648
Energy: 2.3577518314305785
Energy: 1.652372019011748
Energy: 2.3577518314305785
Energy: 2.718247436827648
Energy: 2.3577518314314703
Energy: 1.8969963967429229
Energy: 2.5078609303948816
Energy: 2.0440596128363007
Energy: 2.5078609303948816
Energy: 1.8969963967429229
Energy: 2.5078609303948816
Energy: 2.7359617596186934
Energy: 2.3560909553204032
Energy: 1.6852220891966416
Energy: 2.3560909553239706
Energy: 2.735961759617801
Energy: 2.3560909553221867
Energy: 1.8888239328335645
Energy: 2.0300758531556746
Energy: 1.7435078129215853
Energy: 2.030075853171729
Energy: 1.888823932832673
Energy: 2.0300758531726206
Energy: 2.0112686040184333
Energy: 2.3032919023206992
Energy: 1.6519856343064572
Energy: 2.3032919023206992
Energy: 2.0112686040184333
Energy: 2.303291902319807
Energy: 1.6546605793126237
Energy: 2.4881451129347214
Energy: 1.6860059428875895
Energy: 2.4881451129356136
Energy: 1.6546605793126237
Energy: 2.4881451129356136
Energy: 2.4848777775429367
Energy: 2.430278334360363
Energy: 1.6521216377057322
Energy: 2.430278334360363
Energy: 2.4848777775429367
Energy: 2.430278334360363
Energy: 1.6878072592150808
Energy: 2.1365868032081434
Energy: 1.6523543607019384
Energy: 2.1365868033480884
Energy: 1.6878072592150808
Energy: 2.136586803353439
Energy: 2.397663626424483
Energy: 2.4626058092007526
Energy: 1.8976881996556245
Energy: 2.4626058092007526
Energy: 2.397663626424483
Energy: 2.4626058092016443
Energy: 1.6544720702654014
Energy: 2.520223706447347
Energy: 2.342020554931359
Energy: 2.520223706449131
Energy: 1.6544720702662932
Energy: 2.5202237064482387
Energy: 1.6957405412174043
Energy: 2.3386754891241255
Energy: 1.651867813974096
Energy: 2.338675489125017
Energy: 1.6957405412182962
Energy: 2.3386754891232338
Energy: 1.6882610380139635
Energy: 2.4603862233651843
Energy: 1.6525220969206889
Energy: 2.460386223364292
Energy: 1.6882610380139635
Energy: 2.460386223364292

minimum gb energy = 1.651867813974096 eV
minimum distance =  2.43878827318988 Angstroms
sigma value = 41


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

Energy: 2.4576060760300162
Energy: 2.2929437872525353
Energy: 2.1055227713889066
Energy: 2.2929437872525353
Energy: 2.4576060760300162
Energy: 2.2929437872518315
Energy: 3.0175673605435422
Energy: 2.1569451851457995
Energy: 1.5422271341995903
Energy: 2.156945185145097
Energy: 3.0175673605435422
Energy: 2.156945185145097
Energy: 1.7130407070394773
Energy: 2.2533283946445746
Energy: 1.6737740762540103
Energy: 2.253328394645278
Energy: 1.7130407070401803
Energy: 2.253328394645278
Energy: 2.4131029965207555
Energy: 1.583758042437411
Energy: 1.5425309946723422
Energy: 1.583758042436005
Energy: 2.4131029965207555
Energy: 1.583758042435302
Energy: 1.713641704584942
Energy: 1.7172045007994492
Energy: 1.6326883237874183
Energy: 1.7172045008015582
Energy: 1.713641704584942
Energy: 1.717204500802261
Energy: 2.136651890659547
Energy: 2.236101241060951
Energy: 1.542792799286422
Energy: 2.236101241060951
Energy: 2.136651890659547
Energy: 2.236101241060951
Energy: 1.5421773618573453
Energy: 2.2638832471944963
Energy: 1.5428765949651952
Energy: 2.2638832471944963
Energy: 1.5421773618580483
Energy: 2.2638832471937933
Energy: 2.2206356724603595
Energy: 2.225647034319482
Energy: 1.5644389411486974
Energy: 2.225647034318779
Energy: 2.2206356724603595
Energy: 2.225647034319482
Energy: 1.5837746216123605
Energy: 2.181698727372373
Energy: 1.8166446557637577
Energy: 2.181698727372373
Energy: 1.5837746216123605
Energy: 2.181698727372373
Energy: 2.147403910087187
Energy: 2.250894314208715
Energy: 2.0964506123487814
Energy: 2.250894314209418
Energy: 2.1474039100864837
Energy: 2.250894314209418
Energy: 2.1443792386873186
Energy: 2.2417477903004834
Energy: 2.096544804436091
Energy: 2.241747790301889
Energy: 2.1443792386873186
Energy: 2.2417477903011864
Energy: 1.5833774566928904
Energy: 2.2695214511152173
Energy: 1.5645231115044347
Energy: 2.2695214511145148
Energy: 1.5833774566928904
Energy: 2.278392081765826
Energy: 1.584458087007979
Energy: 2.232530765306453
Energy: 1.962740008876419
Energy: 2.23253076530575
Energy: 1.5844580870086817
Energy: 2.23253076530575
Energy: 1.5422430231578799
Energy: 2.2397107359838575
Energy: 1.54272633273733
Energy: 2.239710735983154
Energy: 1.5422430231578799
Energy: 2.239710735983154
Energy: 2.135331939961703
Energy: 2.2363706146758107
Energy: 1.542557514324404
Energy: 2.2363706146751072
Energy: 2.135331939961703
Energy: 2.2363706146751072
Energy: 1.7184345838273836
Energy: 2.2912170618352534
Energy: 1.5427240494989702
Energy: 2.2912170618352534
Energy: 1.7184345838280863
Energy: 2.2912170618352534
Energy: 2.08944551769795
Energy: 2.2757323186836746
Energy: 1.6050336419840412
Energy: 2.2757323186836746
Energy: 2.08944551769795
Energy: 2.2757323186836746
Energy: 1.7133500324325954
Energy: 2.23979279503465
Energy: 1.5841512625813567
Energy: 2.23979279503465
Energy: 1.7133500324318927
Energy: 2.239792795035353
Energy: 2.6913165512245314
Energy: 2.1524665646930115
Energy: 1.542218621848468
Energy: 2.152466564692308
Energy: 2.6913165512238284
Energy: 2.152466564692308
Energy: 2.095976153583951
Energy: 2.2801061577334636
Energy: 2.144536502310629
Energy: 2.2801061577341666
Energy: 2.095976153583951
Energy: 2.2801061577341666
Energy: 2.678554091490681
Energy: 2.153948400750969
Energy: 1.6050239549005783
Energy: 2.1539484007502656
Energy: 2.678554091490681
Energy: 2.1539484007502656
Energy: 1.7132046204068394
Energy: 2.2253148955816515
Energy: 1.5835619962931473
Energy: 2.2253148955809485
Energy: 1.7132046204068394
Energy: 2.2253148955809485
Energy: 2.411909678719731
Energy: 1.5837343161844282
Energy: 1.5421201360591525
Energy: 1.5837343161823192
Energy: 2.411909678720434
Energy: 1.5837343161844282
Energy: 1.7182100286361452
Energy: 1.9489952108582025
Energy: 1.860421562727442
Energy: 1.9489952108582025
Energy: 1.7182100286361452
Energy: 1.9489952108589055
Energy: 1.8616128889743613
Energy: 2.23298717447615
Energy: 1.5428247599099794
Energy: 2.23298717447615
Energy: 1.8616128889743613
Energy: 2.23298717447615
Energy: 1.5420306454559052
Energy: 1.924929468168986
Energy: 1.8166751094918778
Energy: 1.9249294681668767
Energy: 1.5420306454552024
Energy: 1.92492946816758
Energy: 2.2379139880221968
Energy: 2.224983001883801
Energy: 1.7132766447883196
Energy: 2.2249830018830976
Energy: 2.2379139880228998
Energy: 2.2249830018830976
Energy: 1.5832637702669368
Energy: 2.0109556108983186
Energy: 2.0892273862897364
Energy: 2.0109556109004276
Energy: 1.5832637702662338
Energy: 2.0109556108990216
Energy: 2.145094736938997
Energy: 2.250203309692217
Energy: 2.0968297200093673
Energy: 2.2502033096915137
Energy: 2.1450947369382947
Energy: 2.2502033096915137
Energy: 1.542200057039866
Energy: 2.2265152382215345
Energy: 2.0960775032088277
Energy: 2.2265152382215345
Energy: 1.542200057039866
Energy: 2.2265152382222375
Energy: 1.5836090533161933
Energy: 2.2398212052674262
Energy: 1.713511039707395
Energy: 2.2398212052667237
Energy: 1.5836090533161933
Energy: 2.2398212052667237
Energy: 1.5835932902779781
Energy: 2.3009108563436684
Energy: 2.0897208654720636
Energy: 2.3009108563429645
Energy: 1.5835932902779781
Energy: 2.3009108563429645
Energy: 1.5422875328321655
Energy: 2.2395840064327994
Energy: 1.5428829053696431
Energy: 2.239584006432096
Energy: 1.5422875328321655
Energy: 2.239584006432096

minimum gb energy = 1.5420306454552024 eV
minimum distance =  2.3929990677835 Angstroms
sigma value = 33


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

Energy: 2.0423362924640287
Energy: 2.0259315296701397
Energy: 1.919409603028736
Energy: 2.0259315296716194
Energy: 2.0423362924635353
Energy: 2.025931529671126
Energy: 2.8479117218449588
Energy: 1.4652380037381911
Energy: 1.4016729210219787
Energy: 1.4652380037381911
Energy: 2.8479117218449588
Energy: 1.4652380037381911
Energy: 2.0243052309888934
Energy: 2.0350400945607845
Energy: 1.500040537984986
Energy: 2.035040094560291
Energy: 2.0243052309874128
Energy: 2.035040094560291
Energy: 2.680210899561345
Energy: 1.4227109602200028
Energy: 1.4016686632044641
Energy: 1.4227109602209895
Energy: 2.680210899561345
Energy: 1.4227109602195094
Energy: 1.5200295429249318
Energy: 1.992396973799285
Energy: 1.452105372101284
Energy: 1.9923969737987919
Energy: 1.5200295429244384
Energy: 1.9923969737987919
Energy: 2.1950012061561917
Energy: 1.9198147401130754
Energy: 1.4016018266598194
Energy: 1.919814740113569
Energy: 2.1950012061566846
Energy: 1.919814740113569
Energy: 1.5075244280608784
Energy: 1.9383527953004003
Energy: 1.4080475994344799
Energy: 1.9383527953004003
Energy: 1.5075244280608784
Energy: 1.9383527952999073
Energy: 2.0006729176473455
Energy: 1.8942846232824
Energy: 1.4024931366239173
Energy: 1.8942846232824
Energy: 2.0006729176473455
Energy: 1.8942846232819064
Energy: 1.4022377591079505
Energy: 1.992294440449424
Energy: 1.6892050854871326
Energy: 1.9922944404489307
Energy: 1.4022377591084436
Energy: 1.992294440449424
Energy: 1.80784517248279
Energy: 1.9899392304915944
Energy: 1.7796674486483248
Energy: 1.9899392304906078
Energy: 1.8078451724822966
Energy: 1.989939230491101
Energy: 1.4010284100049635
Energy: 1.9385324647961548
Energy: 1.7785469103013951
Energy: 1.9385324647946747
Energy: 1.4010284100049635
Energy: 1.9385324647971414
Energy: 2.2371408904358847
Energy: 2.0147545969825833
Energy: 1.7956668069942987
Energy: 2.014754596980117
Energy: 2.237140890436378
Energy: 2.014754596980117
Energy: 1.7862420991431387
Energy: 2.0111716681534624
Energy: 2.0849855658070062
Energy: 2.011171668154449
Energy: 1.786242099142152
Energy: 2.011171668154449
Energy: 1.8154515709342363
Energy: 2.0295406505154667
Energy: 2.1862089763594734
Energy: 2.0295406505154667
Energy: 1.8154515709352228
Energy: 2.0295406505154667
Energy: 1.8100242310566423
Energy: 1.9462171393739518
Energy: 2.184612260772915
Energy: 1.9462171393719787
Energy: 1.810024231056149
Energy: 1.9462171393724716
Energy: 1.7886323873024335
Energy: 2.012774131036405
Energy: 1.796084325606983
Energy: 2.0127741310359113
Energy: 1.7886323873034202
Energy: 2.0127741310359113
Energy: 1.787478141830844
Energy: 2.0128068397077783
Energy: 2.0850018347843653
Energy: 2.0128068397058048
Energy: 1.7874781418303507
Energy: 2.0128068397062986
Energy: 1.4089458891469226
Energy: 2.0151766079260116
Energy: 1.7796468946759476
Energy: 2.0151766079260116
Energy: 1.4089458891459359
Energy: 2.0151766079260116
Energy: 1.812265290260967
Energy: 1.980752238051089
Energy: 1.7784242886064945
Energy: 1.9807522380491154
Energy: 1.812265290261954
Energy: 1.9807522380496085
Energy: 1.4082417386653274
Energy: 2.0176671004469737
Energy: 1.4026246416820747
Energy: 2.01766710044648
Energy: 1.4082417386653274
Energy: 2.01766710044648
Energy: 1.787608702375777
Energy: 1.9874785674913988
Energy: 1.591426794940315
Energy: 1.9874785674913988
Energy: 1.7876087023752836
Energy: 1.9874785674913988
Energy: 1.5061491870117483
Energy: 2.015198718869497
Energy: 1.401769924016135
Energy: 2.015198718869991
Energy: 1.5061491870117483
Energy: 2.015198718869991
Energy: 2.194812045081539
Energy: 1.9985379416982225
Energy: 1.4078847830584613
Energy: 1.9985379416982225
Energy: 2.1948120450810458
Energy: 1.9985379416987157
Energy: 1.529752360600595
Energy: 2.017786561701561
Energy: 1.4015703403293753
Energy: 2.017786561702054
Energy: 1.5297523606010883
Energy: 2.017786561702547
Energy: 2.181188504793663
Energy: 1.9864764900476168
Energy: 1.6954172973860226
Energy: 1.9864764900471235
Energy: 2.1811885047916895
Energy: 1.9864764900466299
Energy: 1.9831289083468087
Energy: 2.0166387935260497
Energy: 1.4219510320728128
Energy: 2.016638793525063
Energy: 1.9831289083487824
Energy: 2.016638793525063
Energy: 2.847112226301327
Energy: 1.6695753798231452
Energy: 1.4080565128530345
Energy: 1.6695753797141617
Energy: 2.847112226302807
Energy: 1.6695753796875212
Energy: 2.0104985414814993
Energy: 2.0152985834817163
Energy: 1.8107601522389456
Energy: 2.015298583480236
Energy: 2.0104985414814993
Energy: 2.015298583480236
Energy: 2.404544518008527
Energy: 1.9736985991718012
Energy: 1.5915111291155954
Energy: 1.9736985991713076
Energy: 2.40454451800902
Energy: 1.9736985991718012
Energy: 1.9831040460553098
Energy: 2.0160778315803176
Energy: 1.861522495932479
Energy: 2.0160778315798242
Energy: 1.9831040460562965
Energy: 2.0160778315803176
Energy: 2.420682302242857
Energy: 1.4239110478109251
Energy: 1.409032376706613
Energy: 1.4239110478099386
Energy: 2.420682302243351
Energy: 1.423911047810432
Energy: 1.5297806599957375
Energy: 1.9851654202868647
Energy: 1.855377915558432
Energy: 1.9851654202868647
Energy: 1.5297806599952442
Energy: 1.9851654202868647
Energy: 1.994228403656024
Energy: 1.9392235556721857
Energy: 1.4082621356250407
Energy: 1.9392235556731723
Energy: 1.9942284036570106
Energy: 1.9392235556736659
Energy: 1.5056053089699488
Energy: 1.9140373265876407
Energy: 2.2605675777569973
Energy: 1.9140373265861605
Energy: 1.5056053089699488
Energy: 1.9140373265861605
Energy: 2.260600932450063
Energy: 1.9327594807229538
Energy: 1.5058022270745226
Energy: 1.9327594807229538
Energy: 2.2606009324490763
Energy: 1.9327594807229538
Energy: 1.4080932427810575
Energy: 1.9392859347804348
Energy: 1.9943359155088547
Energy: 1.9392859347804348
Energy: 1.4080932427815507
Energy: 1.9392859347804348
Energy: 1.8472331061567666
Energy: 1.9849838298621143
Energy: 1.529738077545249
Energy: 1.9849838298631008
Energy: 1.8472331061577532
Energy: 1.9849838298635945
Energy: 1.4090380813983499
Energy: 1.42385010115061
Energy: 2.420838154280632
Energy: 1.4238501011496234
Energy: 1.4090380813988432
Energy: 1.42385010115061
Energy: 1.8615224959319856
Energy: 2.015790126005666
Energy: 1.988988638887629
Energy: 2.015790126005666
Energy: 1.8615224959314924
Energy: 2.0157901260061593
Energy: 1.7885502304649903
Energy: 1.9740158743280716
Energy: 2.39955621401077
Energy: 1.9740158743275784
Energy: 1.7885502304649903
Energy: 1.9740158743275784
Energy: 1.8109492865400063
Energy: 2.0125401870332045
Energy: 2.0104885363107767
Energy: 2.0125401870322177
Energy: 1.8109492865409929
Energy: 2.012540187032711
Energy: 1.4080609528136638
Energy: 1.669747804210617
Energy: 2.847212283254879
Energy: 1.6697478041997638
Energy: 1.4080609528141572
Energy: 1.6697478042027238
Energy: 1.4222030394393192
Energy: 2.016573854662631
Energy: 1.9885624253869738
Energy: 2.0165738546621377
Energy: 1.4222030394383327
Energy: 2.016573854662631
Energy: 1.788627176322344
Energy: 1.986153614524088
Energy: 2.1810386212177475
Energy: 1.9861536145250744
Energy: 1.788627176322344
Energy: 1.986153614524581
Energy: 1.4017660348174183
Energy: 2.013009570334027
Energy: 1.5297577623569145
Energy: 2.013009570335507
Energy: 1.4017660348179117
Energy: 2.0130095703350133
Energy: 1.4074368942114304
Energy: 1.9985379417006892
Energy: 2.19509295320439
Energy: 1.9985379417011824
Energy: 1.4074368942104438
Energy: 1.9985379417011824
Energy: 1.4017828901838305
Energy: 2.015408354207675
Energy: 1.5059227410180591
Energy: 2.015408354209155
Energy: 1.4017828901823504
Energy: 2.015408354209155

minimum gb energy = 1.4010284100049635 eV
minimum distance =  2.45680519773951 Angstroms
sigma value = 67


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

Energy: 0.5161763932864573
Energy: 0.5165486919340905
Energy: 1.7280493408496025
Energy: 0.5165486919331163
Energy: 0.5161763932864573
Energy: 0.516548691932779
Energy: 0.5605701069213845
Energy: 1.310256766110206
Energy: 1.0976481707616321
Energy: 1.3102567661112179
Energy: 0.5605701069213845
Energy: 1.3102567661112179
Energy: 0.5161763932857827
Energy: 0.5165486919324418
Energy: 1.728049340848928
Energy: 0.5165486919318049
Energy: 0.5161763932861201
Energy: 0.5165486919318049
Energy: 0.5605701069210474
Energy: 1.310256766110206
Energy: 1.0976481707599834
Energy: 1.3102567661115174
Energy: 0.5605701069217218
Energy: 1.3102567661118547
Energy: 0.5161763932867944
Energy: 0.5165486919337906
Energy: 2.101817320099026
Energy: 0.5165486919331163
Energy: 0.5161763932864573
Energy: 0.516548691932779
Energy: 0.5605701069213845
Energy: 1.3102567661105435
Energy: 1.0976481707603207
Energy: 1.3102567661112179
Energy: 0.5605701069217218
Energy: 1.3102567661115174
Energy: 0.5161763932861201
Energy: 0.5165486919331163
Energy: 2.6262868989403008
Energy: 0.5165486919318049
Energy: 0.5161763932857827
Energy: 0.5165486919318049

minimum gb energy = 0.5161763932857827 eV
minimum distance =  2.69222059584467 Angstroms
sigma value = 3


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

Energy: 2.3020733420776263
Energy: 1.956497013879014
Energy: 1.7512082081372389
Energy: 1.9564970138826037
Energy: 2.3020733420771364
Energy: 1.9564970138826037
Energy: 2.7542685314923885
Energy: 1.4637691313319294
Energy: 1.445916939370494
Energy: 1.4637691313306243
Energy: 2.7542685314936937
Energy: 1.4637691313306243
Energy: 2.190301763375036
Energy: 1.933414806300722
Energy: 1.7348291748771107
Energy: 1.9334148062984378
Energy: 2.1903017633754445
Energy: 1.9334148062980299
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Energy: 1.7968457140345722
Energy: 2.139759250972726
Energy: 1.7968457140350615
Energy: 1.4277980905687244
Energy: 1.7968457140350615
Energy: 1.4251986991474705
Energy: 1.8455822055182602
Energy: 1.8613857793164486
Energy: 1.8455822055186684
Energy: 1.425198699148368
Energy: 1.8455822055186684
Energy: 1.4495576634166851
Energy: 1.8140651381182933
Energy: 2.134661755419508
Energy: 1.8140651381147042
Energy: 1.449557663416277
Energy: 1.8140651381142958
Energy: 1.4328650172826523
Energy: 1.908910696474413
Energy: 2.1409342047751876
Energy: 1.908910696477105
Energy: 1.4328650172830604
Energy: 1.908910696477105
Energy: 1.4268630880122786
Energy: 1.4208468447826843
Energy: 2.3533332673725194
Energy: 1.4208468447795841
Energy: 1.4268630880118707
Energy: 1.4208468447804814
Energy: 1.461559684523378
Energy: 1.9338926900316697
Energy: 2.2362254040654177
Energy: 1.9338926900311804
Energy: 1.4615596845228884
Energy: 1.9338926900316697
Energy: 1.449572882841199
Energy: 1.6506824240213864
Energy: 2.357612857691129
Energy: 1.6506824240227729
Energy: 1.449572882841199
Energy: 1.6506824240227729
Energy: 1.4347991437215248
Energy: 1.9087626336956642
Energy: 2.140663589271439
Energy: 1.9087626336952561
Energy: 1.4347991437215248
Energy: 1.9087626336956642
Energy: 1.426374380291488
Energy: 1.456151595061355
Energy: 2.353243599273803
Energy: 1.4561515950609474
Energy: 1.426374380291488
Energy: 1.4561515950609474
Energy: 1.4414045502965809
Energy: 1.8454158814454615
Energy: 1.8611890996024447
Energy: 1.8454158814472563
Energy: 1.441404550294786
Energy: 1.8454158814472563
Energy: 1.4457748238869015
Energy: 1.8215750142240432
Energy: 2.0030284847606805
Energy: 1.8215750142226566
Energy: 1.4457748238869015
Energy: 1.8215750142226566
Energy: 1.7999638227610655
Energy: 1.8381961185123303
Energy: 1.8094067560710176
Energy: 1.8381961185141251
Energy: 1.799963822761555
Energy: 1.8381961185141251

minimum gb energy = 1.4208468447795841 eV
minimum distance =  2.43399465042797 Angstroms
sigma value = 81


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

Energy: 2.381018773643643
Energy: 2.202617273711188
Energy: 2.2489542619288687
Energy: 2.2026172737093406
Energy: 2.381018773643643
Energy: 2.202617273708725
Energy: 2.741902422073002
Energy: 1.584007742349812
Energy: 1.570800864624661
Energy: 1.584007742349812
Energy: 2.741902422073002
Energy: 1.584007742349812
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Energy: 2.167803488455991
Energy: 1.799606473746083
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Energy: 2.167803488454143
Energy: 2.1614883288607474
Energy: 1.7217220760914391
Energy: 1.5936929353539204
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Energy: 1.7217220760877443
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Energy: 1.8253726233903524
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Energy: 1.9246672280891373
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Energy: 1.7087136107754322
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Energy: 1.9246672280885213
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Energy: 1.7079297134661522
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Energy: 1.9718683675965096
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Energy: 2.7311596894849517
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Energy: 2.266595888588658
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Energy: 2.0018872146975006
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Energy: 1.7156674208563134
Energy: 2.0018872146981166
Energy: 1.708557568441543
Energy: 2.1408588202901573
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Energy: 1.708557568441543
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Energy: 1.708267583700214
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Energy: 1.7082675837008299
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Energy: 2.1450517830396256
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Energy: 2.1450517830408575
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Energy: 1.5832809193186594
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Energy: 2.1415781166217545
Energy: 2.26747381514142
Energy: 2.1339720008204544
Energy: 1.9235993813337229
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Energy: 2.7241096019868873
Energy: 2.0101597369915725
Energy: 1.5878294335466152
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Energy: 2.7241096019862714
Energy: 2.0101597369915725
Energy: 2.724140901030045
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Energy: 2.724140901030045
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Energy: 2.1379274697349953
Energy: 1.8012911480842304
Energy: 2.13792746973869
Energy: 2.2672749809790704
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Energy: 2.267332120359435
Energy: 2.1417078989572125
Energy: 1.58891070459559
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Energy: 2.267332120359435
Energy: 2.14170789895906
Energy: 2.1665441167355635
Energy: 2.145593584411326
Energy: 1.6929629659822547
Energy: 2.1455935844063987
Energy: 2.1665441167355635
Energy: 2.1455935844063987
Energy: 2.1607961307914993
Energy: 2.11608222386179
Energy: 1.708664093515368
Energy: 2.1160822238593266
Energy: 2.1607961307914993
Energy: 2.116082223859943
Energy: 1.7083125167723172
Energy: 2.0863560059890753
Energy: 1.9367310873226
Energy: 2.086356005985997
Energy: 1.7083125167723172
Energy: 2.086356005985997
Energy: 1.7084715767792196
Energy: 2.141755127495866
Energy: 1.7578097667791384
Energy: 2.141755127495866
Energy: 1.7084715767792196
Energy: 2.141755127496482
Energy: 1.692792477187402
Energy: 2.001887214699348
Energy: 2.163462815075849
Energy: 2.0018872146987325
Energy: 1.6927924771892493
Energy: 2.0018872146987325
Energy: 1.6938553080932883
Energy: 2.132718847794523
Energy: 2.2661696374202065
Energy: 2.1327188477932917
Energy: 1.6938553080926724
Energy: 2.1327188477932917
Energy: 1.5705479529865343
Energy: 2.0809612592008433
Energy: 2.409323603703904
Energy: 2.080961259201459
Energy: 1.5705479529859183
Energy: 2.0809612592008433
Energy: 1.6079845426916322
Energy: 2.1390425667027513
Energy: 2.1662083753327646
Energy: 2.1390425666978246
Energy: 1.6079845426916322
Energy: 2.1390425666984405
Energy: 1.5869071305036466
Energy: 1.7319452642460642
Energy: 2.527189942881255
Energy: 1.7319452642485273
Energy: 1.5869071305036466
Energy: 1.7319452642485273
Energy: 1.72938398421783
Energy: 2.1328481269063264
Energy: 2.2662099846380643
Energy: 2.1328481269038635
Energy: 1.729383984217214
Energy: 2.1328481269038635
Energy: 1.5829715405565934
Energy: 1.8492248707819934
Energy: 2.255563425787245
Energy: 1.849224870782609
Energy: 1.5829715405565934
Energy: 1.849224870782609
Energy: 1.692747468713209
Energy: 2.0854827063563373
Energy: 1.7587793842461599
Energy: 2.085482706360032
Energy: 1.692747468713209
Energy: 2.085482706360032
Energy: 1.7078723945548726
Energy: 2.1131399017570276
Energy: 1.9779020644073038
Energy: 2.1131399017539487
Energy: 1.7078723945548726
Energy: 2.1131399017533328

minimum gb energy = 1.570421863913085 eV
minimum distance =  2.35097442384594 Angstroms
sigma value = 43


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

Energy: 2.644258623841275
Energy: 2.274915550239608
Energy: 2.4083210297653976
Energy: 2.274915550238095
Energy: 2.644258623842031
Energy: 2.274915550238095
Energy: 2.8112947569042697
Energy: 1.7050712306712064
Energy: 1.6685016444039156
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Energy: 1.9439570568235411
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Energy: 1.6942879764544452
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Energy: 2.1299403777143584
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Energy: 1.668553011832072
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Energy: 1.8272409277850998
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Energy: 1.9110183280691326
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Energy: 1.8262882932361768
Energy: 2.286017190867561
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Energy: 2.4334114032767555
Energy: 1.9767769093285317
Energy: 1.6882041297307888
Energy: 1.9767769093270187
Energy: 2.4334114032759993
Energy: 1.9767769093270187
Energy: 2.429991908899193
Energy: 2.268149593396357
Energy: 1.9623871043677765
Energy: 2.2681495933948446
Energy: 2.429991908899193
Energy: 2.2681495933948446
Energy: 2.5607511501299713
Energy: 2.185274671694557
Energy: 1.6889806317661615
Energy: 2.1852746716968268
Energy: 2.5607511501299713
Energy: 2.1852746716968268
Energy: 2.562226142821467
Energy: 2.3128657476149925
Energy: 1.6985633370615152
Energy: 2.3128657476149925
Energy: 2.562226142820711
Energy: 2.3128657476149925
Energy: 2.430120798865985
Energy: 2.1942311304280118
Energy: 1.6689108446780514
Energy: 2.194231130430281
Energy: 2.4301207988667417
Energy: 2.194231130430281
Energy: 2.4299008556766615
Energy: 2.3552134476387385
Energy: 1.696656747227419
Energy: 2.3552134476372264
Energy: 2.4299008556766615
Energy: 2.3552134476372264
Energy: 1.845251565648584
Energy: 2.2868745507078936
Energy: 1.8294515691403677
Energy: 2.2868745507086503
Energy: 1.845251565648584
Energy: 2.2868745507086503
Energy: 1.8460066779819713
Energy: 2.3033427613950574
Energy: 1.8452608139522393
Energy: 2.3033427613958137
Energy: 1.8460066779819713
Energy: 2.3033427613958137
Energy: 1.8264844568894507
Energy: 2.2727959726452687
Energy: 1.8451123066789554
Energy: 2.2727959726467817
Energy: 1.8264844568894507
Energy: 2.2727959726467817
Energy: 1.8275044634731643
Energy: 2.3615512165191754
Energy: 1.920587040056674
Energy: 2.3615512165206884
Energy: 1.827504463473921
Energy: 2.3615512165214447
Energy: 1.6686669956799867
Energy: 2.286273476355612
Energy: 2.3434641809132435
Energy: 2.286273476354855
Energy: 1.6686669956799867
Energy: 2.286273476354855
Energy: 1.7126677057502755
Energy: 2.29190651204456
Energy: 2.374992485990939
Energy: 2.291906512047585
Energy: 1.712667705749519
Energy: 2.291906512047585
Energy: 1.6880137548253142
Energy: 2.275220079084843
Energy: 2.3176662308488027
Energy: 2.2752200790840864
Energy: 1.6880137548253142
Energy: 2.2752200790840864
Energy: 1.8613792340919386
Energy: 2.2681020521761615
Energy: 1.9203851619348262
Energy: 2.268102052174649
Energy: 1.8613792340911823
Energy: 2.268102052175405
Energy: 1.687952901381534
Energy: 1.6689153148421625
Energy: 2.189732856402821
Energy: 1.6689153148421625
Energy: 1.6879529013807775
Energy: 1.6689153148421625
Energy: 1.683579665667688
Energy: 2.2864726419680896
Energy: 1.8453452527153016
Energy: 2.286472641968846
Energy: 1.6835796656669315
Energy: 2.286472641968846

minimum gb energy = 1.6685016444039156 eV
minimum distance =  2.40969021095439 Angstroms
sigma value = 57


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

Energy: 1.9048666187811025
Energy: 2.5761889715430257
Energy: 2.653270505459559
Energy: 2.5761889715430257
Energy: 1.9048666187811025
Energy: 2.5761889715440045
Energy: 2.2692244101397008
Energy: 1.8825729158556084
Energy: 1.7968529704564717
Energy: 1.8825729158536495
Energy: 2.26922441014068
Energy: 1.882572915854629
Energy: 1.8271161933461233
Energy: 2.568697975907706
Energy: 1.8084413169123097
Energy: 2.568697975907706
Energy: 1.8271161933451439
Energy: 2.568697975907706
Energy: 1.8512585861695081
Energy: 1.8115500359805854
Energy: 1.8067216827219585
Energy: 1.8115500359805854
Energy: 1.8512585861685287
Energy: 1.8115500359805854
Energy: 1.7966431513959567
Energy: 1.8569844610162702
Energy: 2.034128347697389
Energy: 1.8569844610162702
Energy: 1.7966431513959567
Energy: 1.8569844610162702
Energy: 1.8381340938984245
Energy: 2.5434169787963756
Energy: 1.7960052932037955
Energy: 2.5434169787963756
Energy: 1.8381340938984245
Energy: 2.5434169787953964
Energy: 1.8086710708439437
Energy: 2.2160725617894594
Energy: 2.2682321920495117
Energy: 2.2160725617894594
Energy: 1.8086710708439437
Energy: 2.2160725617894594
Energy: 1.8311974450986197
Energy: 2.5168063736164803
Energy: 1.8975685421805635
Energy: 2.5168063736164803
Energy: 1.8311974450986197
Energy: 2.5168063736164803
Energy: 1.7970225934265431
Energy: 1.8843061844609943
Energy: 2.4572540481523957
Energy: 1.8843061844619737
Energy: 1.7970225934255637
Energy: 1.8843061844619737
Energy: 1.8085633162416637
Energy: 2.543523217092881
Energy: 1.7959713567846467
Energy: 2.5435232170938606
Energy: 1.8085633162416637
Energy: 2.5435232170938606
Energy: 1.8087962255257206
Energy: 1.8084256112546524
Energy: 1.8084045928844783
Energy: 1.8084256112546524
Energy: 1.8087962255257206
Energy: 1.8084256112546524
Energy: 1.7969371777275966
Energy: 2.1915103995739447
Energy: 1.7967380478159842
Energy: 2.1915103995739447
Energy: 1.7969371777275966
Energy: 2.1915103995739447
Energy: 1.7970250191692698
Energy: 2.5437920400088374
Energy: 1.8834069318319344
Energy: 2.543792040007858
Energy: 1.7970250191692698
Energy: 2.543792040007858
Energy: 2.233497843430736
Energy: 2.2120281248102005
Energy: 1.8088231784554762
Energy: 2.21202812481118
Energy: 2.233497843430736
Energy: 2.21202812481118
Energy: 2.6310996153737114
Energy: 2.5190370398080146
Energy: 1.8094085943736429
Energy: 2.5190370398060558
Energy: 2.6310996153746906
Energy: 2.5190370398060558
Energy: 1.7971913366527368
Energy: 2.587791603420577
Energy: 1.806357462640889
Energy: 2.5877916034195976
Energy: 1.7971913366517573
Energy: 2.5877916034195976
Energy: 1.7972205445632083
Energy: 2.1926448574978616
Energy: 1.8094930524069113
Energy: 2.1926448574978616
Energy: 1.7972205445632083
Energy: 2.1926448574978616
Energy: 1.808234673994494
Energy: 2.2490709883707924
Energy: 1.808224248490907
Energy: 2.2490709883707924
Energy: 1.808234673994494
Energy: 2.2490709883688336
Energy: 1.8094799370777122
Energy: 2.1925710211284586
Energy: 1.797174606779291
Energy: 2.192571021129438
Energy: 1.8094799370777122
Energy: 2.192571021129438
Energy: 1.8063160753358163
Energy: 2.5892394243843695
Energy: 1.79737561652205
Energy: 2.589239424385349
Energy: 1.8063160753348368
Energy: 2.589239424385349
Energy: 1.809322058883408
Energy: 2.519027157980081
Energy: 2.6313156303522685
Energy: 2.519027157980081
Energy: 1.809322058883408
Energy: 2.519027157980081
Energy: 1.8088513399775488
Energy: 2.2308298193149136
Energy: 2.233308531362844
Energy: 2.2308298193149136
Energy: 1.8088513399775488
Energy: 2.2308298193149136
Energy: 1.8402405814467075
Energy: 2.5437478396869757
Energy: 1.7970241150647546
Energy: 2.5437478396869757
Energy: 1.8402405814467075
Energy: 2.5437478396869757
Energy: 1.796893405414592
Energy: 2.1916061180464657
Energy: 1.7971540049777717
Energy: 2.191606118047445
Energy: 1.7968934054155714
Energy: 2.191606118047445

minimum gb energy = 1.7959713567846467 eV
minimum distance =  2.43634499444297 Angstroms
sigma value = 17


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

Energy: 1.9589974962296117
Energy: 1.9593603307707386
Energy: 2.037651359737099
Energy: 1.9593603307707386
Energy: 1.9589974962296117
Energy: 1.9593603307707386
Energy: 1.9743773817541708
Energy: 1.9627481728625285
Energy: 1.962080321849399
Energy: 1.9627481728625285
Energy: 1.9743773817541708
Energy: 1.9627481728625285
Energy: 1.991216394580757
Energy: 1.992266894640981
Energy: 1.9951234368113555
Energy: 1.9922668946395956
Energy: 1.991216394580757
Energy: 1.9922668946395956
Energy: 2.041060268888249
Energy: 1.9619648308891477
Energy: 1.9611762620224626
Energy: 1.9619648308877626
Energy: 2.0410602688868638
Energy: 1.9619648308877626
Energy: 1.961817896349884
Energy: 1.9628676919669878
Energy: 2.0059871881223814
Energy: 1.9628676919669878
Energy: 1.961817896349884
Energy: 1.9628676919669878
Energy: 1.9900474323154307
Energy: 1.9611446417852485
Energy: 1.963865470878794
Energy: 1.9611446417852485
Energy: 1.9900474323154307
Energy: 1.9611446417852485
Energy: 1.9807916962918648
Energy: 2.1867072066683164
Energy: 1.936146288128758
Energy: 2.1867072066683164
Energy: 1.9807916962918648
Energy: 2.1867072066683164
Energy: 1.9615389235550782
Energy: 2.2143922871037027
Energy: 1.9613039517127433
Energy: 2.2143922871037027
Energy: 1.9615389235550782
Energy: 2.2143922871037027
Energy: 1.9619012185998526
Energy: 1.961687249047611
Energy: 2.0515794997052588
Energy: 1.961687249047611
Energy: 1.9619012185998526
Energy: 1.961687249047611
Energy: 1.961858442781408
Energy: 1.9392303489407217
Energy: 1.9621811534981866
Energy: 1.9392303489407217
Energy: 1.961858442781408
Energy: 1.9392303489407217
Energy: 1.9627898244795072
Energy: 2.470071842395679
Energy: 1.9616921940980137
Energy: 2.4700718423942933
Energy: 1.9627898244795072
Energy: 2.4700718423942933
Energy: 1.9615264282832496
Energy: 1.990160063263081
Energy: 1.9857876666885141
Energy: 1.990160063263081
Energy: 1.9615264282818647
Energy: 1.990160063263081
Energy: 1.96211209496066
Energy: 2.2159632688154844
Energy: 1.9613463831448161
Energy: 2.2159632688140993
Energy: 1.9621120949620452
Energy: 2.2159632688140993
Energy: 1.9897640182957712
Energy: 1.9613464644780887
Energy: 1.9643969091264566
Energy: 1.9613464644780887
Energy: 1.9897640182957712
Energy: 1.9613464644780887
Energy: 1.9623745903826701
Energy: 2.4815145021866507
Energy: 1.9617385492824926
Energy: 2.4815145021866507
Energy: 1.9623745903826701
Energy: 2.4815145021866507
Energy: 1.9840012804797913
Energy: 2.471572963546813
Energy: 1.965329352037688
Energy: 2.471572963568943
Energy: 1.9840012804797913
Energy: 2.4715729635371173
Energy: 1.9614698987902257
Energy: 1.9617050778166476
Energy: 1.961254755920158
Energy: 1.9617050778152623
Energy: 1.9614698987888406
Energy: 1.9617050778152623

minimum gb energy = 1.936146288128758 eV
minimum distance =  2.4748264698704 Angstroms
sigma value = 17


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

Energy: 2.697846992542538
Energy: 2.9428530127127495
Energy: 2.2166551954181637
Energy: 2.9428530127111454
Energy: 2.6978469925446777
Energy: 2.9428530127111454
Energy: 2.4442595402907785
Energy: 2.0399295901678203
Energy: 2.0092379277462378
Energy: 2.0399295901678203
Energy: 2.4442595402907785
Energy: 2.0399295901678203
Energy: 2.0004107385737644
Energy: 2.11296503639779
Energy: 2.41113770138524
Energy: 2.1129650363956514
Energy: 2.0004107385732297
Energy: 2.1129650363967207
Energy: 2.1043475458169074
Energy: 2.6196922018076214
Energy: 2.113096992275909
Energy: 2.6196922018102957
Energy: 2.1043475458169074
Energy: 2.619692201811365
Energy: 2.0068719953774394
Energy: 2.094427400410107
Energy: 2.468074662303166
Energy: 2.094427400409037
Energy: 2.0068719953774394
Energy: 2.094427400408502
Energy: 2.1239964281118873
Energy: 2.6404621885952566
Energy: 2.140674065230866
Energy: 2.6404621885952566
Energy: 2.1239964281118873
Energy: 2.6404621885952566
Energy: 2.013315297504137
Energy: 2.124872331775394
Energy: 2.4077767679464097
Energy: 2.124872331776999
Energy: 2.0133152975046715
Energy: 2.124872331776999
Energy: 2.416005696303232
Energy: 2.3199954246884125
Energy: 2.007482483612696
Energy: 2.3199954246863217
Energy: 2.4160056963026975
Energy: 2.319995424687878
Energy: 2.146407888026451
Energy: 2.6206163251368535
Energy: 2.0590788479564512
Energy: 2.6206163251368535
Energy: 2.146407888026451
Energy: 2.6206163251363184
Energy: 2.6941949112320076
Energy: 2.1047472802029294
Energy: 2.0102808791974773
Energy: 2.0924726601416084
Energy: 2.6941949112320076
Energy: 2.1047472802023943
Energy: 2.1170680020000865
Energy: 2.7683193958602152
Energy: 2.1074635880870143
Energy: 2.76831939586075
Energy: 2.117068001999552
Energy: 2.76831939586075
Energy: 2.0403539593837516
Energy: 2.6278938837088908
Energy: 2.0005517958739008
Energy: 2.6278938837088908
Energy: 2.0403539593848214
Energy: 2.6278938837088908
Energy: 2.0139372839405905
Energy: 2.3219044463969714
Energy: 2.717922523403624
Energy: 2.321904446398041
Energy: 2.01393728393952
Energy: 2.321904446398041
Energy: 2.0805081476889007
Energy: 2.6067647540721888
Energy: 2.666157686081661
Energy: 2.6067647540748147
Energy: 2.080508147688366
Energy: 2.606764754072724
Energy: 2.0346069266807323
Energy: 2.6834343599748207
Energy: 2.1070583805301744
Energy: 2.6834343599764248
Energy: 2.0346069266807323
Energy: 2.6834343599764248
Energy: 2.122661364681264
Energy: 2.772144518327474
Energy: 2.0011935427697503
Energy: 2.7721445183280093
Energy: 2.122661364683404
Energy: 2.826680379226216
Energy: 2.1283612894350408
Energy: 2.0158006408796827
Energy: 2.0977536320330716
Energy: 2.015800640877543
Energy: 2.1283612894350408
Energy: 2.015800640882357
Energy: 2.650896021882933
Energy: 2.45590851978286
Energy: 2.0321023314645386
Energy: 2.4559085197839297
Energy: 2.6508960218818634
Energy: 2.455908519784464
Energy: 2.5262687425521477
Energy: 2.501150707921911
Energy: 2.009562399987641
Energy: 2.501150707932073
Energy: 2.526268742552683
Energy: 2.501150707908539
Energy: 2.0105680843045883
Energy: 2.4838026082015525
Energy: 2.010243611796967
Energy: 2.50390386346156
Energy: 2.0105680843051235
Energy: 2.483802605557257
Energy: 2.0091122881349675
Energy: 2.530324706268529
Energy: 2.6461416338122477
Energy: 2.5303247062679937
Energy: 2.0091122881344323
Energy: 2.530324706268529
Energy: 2.0322238905399286
Energy: 2.456036157992048
Energy: 2.6506885184097952
Energy: 2.456036157995792
Energy: 2.032223890540999
Energy: 2.4560361579947227
Energy: 2.044139690896658
Energy: 2.0154639427398413
Energy: 2.1281234638487456
Energy: 2.0154639427462597
Energy: 2.0441396908961225
Energy: 2.0154639427478647
Energy: 2.000817610097733
Energy: 2.6500310405290533
Energy: 2.1222521829407013
Energy: 2.6500310405311924
Energy: 2.0008176100988027
Energy: 2.6500310405306577
Energy: 2.1072159939407973
Energy: 2.74250448845669
Energy: 2.040725709127806
Energy: 2.7425044884588297
Energy: 2.107215993940262
Energy: 2.742504488458295
Energy: 2.6658974901476786
Energy: 2.6065755626520763
Energy: 2.062080691987419
Energy: 2.6065755626531457
Energy: 2.665897490146609
Energy: 2.606575562652611
Energy: 2.7183119339199178
Energy: 2.321893573377477
Energy: 2.013945060269433
Energy: 2.321893573376942
Energy: 2.718311933920453
Energy: 2.321893573376942
Energy: 2.000958378744915
Energy: 2.6280971431974933
Energy: 2.0404619370123744
Energy: 2.6280971432007023
Energy: 2.0009583787443797
Energy: 2.628097143199098
Energy: 2.1072424891479455
Energy: 2.768334166846385
Energy: 2.1169146090367934
Energy: 2.7683341668447805
Energy: 2.1072424891474113
Energy: 2.7683341668447805
Energy: 2.010298589947643
Energy: 2.1044038255969753
Energy: 2.6941789856537617
Energy: 2.104403825595906
Energy: 2.010298589947643
Energy: 2.1044038255937663
Energy: 2.047262458172702
Energy: 2.6221915888205864
Energy: 2.1465050067433835
Energy: 2.6221915888221914
Energy: 2.0472624581737717
Energy: 2.6221915888205864
Energy: 2.0074804119145595
Energy: 2.3192270197273093
Energy: 2.4162254372111085
Energy: 2.3192270197267737
Energy: 2.007480411915094
Energy: 2.3192270197267737
Energy: 2.408025044743971
Energy: 2.125191230962627
Energy: 2.0133973330126467
Energy: 2.1251912309620917
Energy: 2.408025044743971
Energy: 2.125191230962627
Energy: 2.14079052903422
Energy: 2.6406618677017417
Energy: 2.1239441447596796
Energy: 2.6406618677017417
Energy: 2.1407905290347546
Energy: 2.6406618677012075
Energy: 2.441352683170017
Energy: 2.0944274004074326
Energy: 2.010429326490941
Energy: 2.0944274004063628
Energy: 2.441352683169482
Energy: 2.0944274004058276
Energy: 2.1133253964312115
Energy: 2.6202403212904852
Energy: 2.104777823736773
Energy: 2.62024032129102
Energy: 2.1133253964306764
Energy: 2.62024032129102
Energy: 2.4112007591970994
Energy: 2.1127527851658727
Energy: 2.0004084002147398
Energy: 2.112752785166408
Energy: 2.411200759197634
Energy: 2.112752785166408
Energy: 2.0092919703514354
Energy: 2.0404541717856635
Energy: 2.4442880119482275
Energy: 2.040454171786198
Energy: 2.0092919703514354
Energy: 2.040454171787803
Energy: 2.177161459277085
Energy: 2.9428530127122148
Energy: 2.697846992544143
Energy: 2.94285301271168
Energy: 2.1771614550075173
Energy: 2.94285301271168
Energy: 2.0092379277462378
Energy: 2.0399295901678203
Energy: 2.444259540292383
Energy: 2.0399295901662153
Energy: 2.009237927746773
Energy: 2.0399295901656807
Energy: 2.411137701384171
Energy: 2.1129650363945807
Energy: 2.0004107385705554
Energy: 2.1129650363956514
Energy: 2.411137701384171
Energy: 2.1129650363951162
Energy: 2.113096992273769
Energy: 2.6196922018119
Energy: 2.104347545819582
Energy: 2.619692201810831
Energy: 2.1130969922732348
Energy: 2.619692201812436
Energy: 2.468074662303166
Energy: 2.0944274004074326
Energy: 2.0068719953747647
Energy: 2.094427400408502
Energy: 2.4680746623037013
Energy: 2.094427400408502

minimum gb energy = 2.0004084002147398 eV
minimum distance =  2.43590942680992 Angstroms
sigma value = 57


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

Energy: 2.1807371272135208
Energy: 2.8859030169825344
Energy: 2.4517011990579682
Energy: 2.8859030169834052
Energy: 2.1807371272135208
Energy: 2.8859030169825344
Energy: 2.1741469682503896
Energy: 2.015497034908379
Energy: 2.015928090919409
Energy: 2.01549703490925
Energy: 2.1741469682503896
Energy: 2.0154970349101213
Energy: 1.9810975262308304
Energy: 2.1624778221338623
Energy: 2.1865877028356544
Energy: 2.1624778221329914
Energy: 1.9810975262317012
Energy: 2.1624778221338623
Energy: 2.2300247503208595
Energy: 2.1469896877178094
Energy: 2.144808234482736
Energy: 2.146989687716068
Energy: 2.2300247503208595
Energy: 2.1469896877169385
Energy: 1.9863418689352588
Energy: 2.1075316844075007
Energy: 2.2549803348722652
Energy: 2.1075316844014047
Energy: 1.986341868934388
Energy: 2.1075316844014047
Energy: 2.171058665622311
Energy: 2.1452607474476038
Energy: 2.1445504602597065
Energy: 2.1452607474458616
Energy: 2.171058665622311
Energy: 2.1452607474458616
Energy: 1.9858215502168042
Energy: 2.169339633366454
Energy: 2.016662022236456
Energy: 2.169339633367325
Energy: 1.9858215502176753
Energy: 2.169339633367325
Energy: 2.616670812792506
Energy: 2.067830192693184
Energy: 2.0156735288863175
Energy: 2.067830192693184
Energy: 2.616670812791634
Energy: 2.067830192693184
Energy: 2.1875318490875983
Energy: 2.596956293443862
Energy: 2.0124585530907706
Energy: 2.596956293443862
Energy: 2.1875318490875983
Energy: 2.5969562934395074
Energy: 2.1788687425988114
Energy: 2.0175120636372714
Energy: 2.0289680852916754
Energy: 2.017512063628563
Energy: 2.1788687425979405
Energy: 2.0175120636294337
Energy: 1.9864035594482101
Energy: 2.4484732357905816
Energy: 2.1512074174420848
Energy: 2.4484732357940655
Energy: 1.9864035594482101
Energy: 2.4484732357923233
Energy: 2.2085291188503215
Energy: 2.1552436274592193
Energy: 2.155413045038834
Energy: 2.155243627453123
Energy: 2.2085291188503215
Energy: 2.155243627453123
Energy: 1.9877433717428838
Energy: 2.525518830248123
Energy: 2.152286017824658
Energy: 2.525518830249865
Energy: 1.9877433717420132
Energy: 2.525518830249865
Energy: 2.170570515597361
Energy: 2.279407063038013
Energy: 2.1554264184059106
Energy: 2.2794070630449803
Energy: 2.170570515597361
Energy: 2.2794070630449803
Energy: 1.9805344503500133
Energy: 2.170777187426198
Energy: 2.01541630574463
Energy: 2.1707771874270687
Energy: 1.9805344503491424
Energy: 2.170777187426198
Energy: 2.5861862662039203
Energy: 2.584039289692371
Energy: 2.028248369310311
Energy: 2.5840392896897586
Energy: 2.5861862661673425
Energy: 2.5840392896932425
Energy: 2.2033054602883295
Energy: 2.5901991742224606
Energy: 2.0154177242367406
Energy: 2.5901991742242028
Energy: 2.2033054602883295
Energy: 2.5901991742233315
Energy: 2.1710482387843273
Energy: 2.1734227973327602
Energy: 2.0158775047409176
Energy: 2.1734227973336315
Energy: 2.1710482387843273
Energy: 2.1734227973336315
Energy: 1.980479963799625
Energy: 2.4628082358090317
Energy: 2.1448263311062394
Energy: 2.462808235814257
Energy: 1.9804799638004957
Energy: 2.462808235814257
Energy: 2.159137740713044
Energy: 2.517502552590868
Energy: 2.1465114960520535
Energy: 2.5175025525856425
Energy: 2.159137740711302
Energy: 2.5175025525865133
Energy: 1.9858569508503194
Energy: 2.5181213746517264
Energy: 2.144231491272924
Energy: 2.5181213746534676
Energy: 1.9858569508520612
Energy: 2.5181213746534676
Energy: 1.9804466644160887
Energy: 2.4626357548406475
Energy: 2.1441177379733722
Energy: 2.46263575484326
Energy: 1.980446664415218
Energy: 2.4626357548423896
Energy: 1.9807451420132114
Energy: 2.172929334895866
Energy: 2.016538687619034
Energy: 2.1729293348897696
Energy: 1.9807451420149529
Energy: 2.172929334890641
Energy: 2.1808121545592742
Energy: 2.5905842701226507
Energy: 2.01687993668265
Energy: 2.5905842701174255
Energy: 2.1808121545592742
Energy: 2.5905842701165542
Energy: 2.1809772113690764
Energy: 2.5909009829115894
Energy: 2.0143674152590787
Energy: 2.590900982914123
Energy: 2.1809772113690764
Energy: 2.590900982914123
Energy: 1.9805480365120063
Energy: 2.1725822217584723
Energy: 2.034593234685772
Energy: 2.1725822217584723
Energy: 1.9805480365128776
Energy: 2.1725822217584723
Energy: 1.9808169791528667
Energy: 2.4618776989427573
Energy: 2.1608665017114506
Energy: 2.461877698946241
Energy: 1.9808169791528667
Energy: 2.461877698947112

minimum gb energy = 1.980446664415218 eV
minimum distance =  2.39794840830474 Angstroms
sigma value = 43


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

Energy: 2.2539422657391635
Energy: 2.8116407128922534
Energy: 2.2812009043728465
Energy: 2.8116407128928875
Energy: 2.2539422657397976
Energy: 2.811640712895426
Energy: 2.2075711809969
Energy: 2.083176192488456
Energy: 2.051385116447419
Energy: 2.083176192488456
Energy: 2.2075711809969
Energy: 2.083176192489091
Energy: 2.0495334441408106
Energy: 2.221546076973848
Energy: 2.6133726695228923
Energy: 2.221546076974483
Energy: 2.0495334441408106
Energy: 2.221546076974483
Energy: 2.3612816072042793
Energy: 2.766166528131854
Energy: 2.1993469967397523
Energy: 2.7661665281324885
Energy: 2.361281607203644
Energy: 2.7661665281324885
Energy: 2.052013576243107
Energy: 2.1654516007047566
Energy: 2.269237766242016
Energy: 2.165451600705391
Energy: 2.052013576243107
Energy: 2.165451600704122
Energy: 2.1862330693028795
Energy: 2.188193577760954
Energy: 2.0562017979462834
Energy: 2.1881935777596846
Energy: 2.1862330693016103
Energy: 2.1881935777596846
Energy: 2.0597055365695436
Energy: 2.18916267802301
Energy: 2.087927808760651
Energy: 2.18916267802301
Energy: 2.0597055365695436
Energy: 2.18916267802301
Energy: 2.320604922341282
Energy: 2.163731029958416
Energy: 2.0527346888807045
Energy: 2.1637310299590506
Energy: 2.3206049223425516
Energy: 2.1637310299590506
Energy: 2.2028851083481475
Energy: 2.765783903906706
Energy: 2.243270616104702
Energy: 2.765783903906071
Energy: 2.2028851083475134
Energy: 2.765783903906071
Energy: 2.424636549609755
Energy: 2.22696346586418
Energy: 2.049528603895575
Energy: 2.2269634658648148
Energy: 2.4246365496103897
Energy: 2.2269634658648148
Energy: 2.0540192739629792
Energy: 2.1303966532911094
Energy: 2.6016677357238205
Energy: 2.1303966532911094
Energy: 2.0540192739629792
Energy: 2.1303966532911094
Energy: 2.086047072504766
Energy: 2.634943505840081
Energy: 2.254895310252605
Energy: 2.6349435058362745
Energy: 2.0860470725041314
Energy: 2.6349435058388124
Energy: 2.0497408177857817
Energy: 2.085046992794705
Energy: 2.2429289680465234
Energy: 2.0850469927928015
Energy: 2.0497408177857817
Energy: 2.085046992793436
Energy: 2.199759967133671
Energy: 2.423856995231433
Energy: 2.0495887985070538
Energy: 2.4238569952320677
Energy: 2.1997599671330366
Energy: 2.4238569952320677
Energy: 2.1983647842121026
Energy: 2.6248393528737095
Energy: 2.085866812378697
Energy: 2.6248393528737095
Energy: 2.198364784211468
Energy: 2.6248393528737095
Energy: 2.185213151947679
Energy: 2.2250842334399636
Energy: 2.0511275851440662
Energy: 2.2250842334412324
Energy: 2.185213151947679
Energy: 2.2250842334399636
Energy: 2.0549312504919035
Energy: 2.453465077411636
Energy: 2.1833377173454984
Energy: 2.453465077412271
Energy: 2.0549312504919035
Energy: 2.453465077412271
Energy: 2.0889349705476055
Energy: 2.1915404456929632
Energy: 2.0548410042480745
Energy: 2.1915404456923286
Energy: 2.0889349705463367
Energy: 2.1915404456923286
Energy: 2.0838551524681073
Energy: 2.0841409389175314
Energy: 2.199443023558939
Energy: 2.0841409389175314
Energy: 2.083855152468742
Energy: 2.0841409389168963
Energy: 2.050241273482466
Energy: 2.566639811887568
Energy: 2.1992092410566175
Energy: 2.566639811890741
Energy: 2.0502412734831013
Energy: 2.5666398118831264
Energy: 2.049782479492164
Energy: 2.2169271051384825
Energy: 2.0846597770471766
Energy: 2.2169271051384825
Energy: 2.049782479492164
Energy: 2.2169271051384825
Energy: 2.8950893129539748
Energy: 2.430395711530003
Energy: 2.049791626808587
Energy: 2.4303957115274653
Energy: 2.89508931295334
Energy: 2.430395711528734
Energy: 2.897058673107455
Energy: 2.553406288898835
Energy: 2.085279057277044
Energy: 2.5534062888982003
Energy: 2.897058673107455
Energy: 2.5534062888982003
Energy: 2.050009198872329
Energy: 2.2416073789064583
Energy: 2.0828709536225927
Energy: 2.2416073789045545
Energy: 2.050009198872329
Energy: 2.2416073789058237
Energy: 2.0496860298373627
Energy: 2.6033530413798847
Energy: 2.199078183409011
Energy: 2.6033530413786155
Energy: 2.0496860298373627
Energy: 2.60335304137925
Energy: 2.084117233479883
Energy: 2.3646899769967735
Energy: 2.198778542221263
Energy: 2.3646899769967735
Energy: 2.0841172334792484
Energy: 2.3646899769967735
Energy: 2.084319629069107
Energy: 2.2212444136975
Energy: 2.1883340933138213
Energy: 2.221244413938509
Energy: 2.0843196290697414
Energy: 2.2212444130721343
Energy: 2.188043109013561
Energy: 2.92927299855289
Energy: 2.1870231820773025
Energy: 2.929272998552255
Energy: 2.1880431090141954
Energy: 2.929272998552255
Energy: 2.188339509869382
Energy: 2.221578993816342
Energy: 2.0635735809851545
Energy: 2.2215789938689507
Energy: 2.188339509869382
Energy: 2.2215789938575874
Energy: 2.1987125583184755
Energy: 2.3648274179880913
Energy: 2.0842613045949867
Energy: 2.364827417986188
Energy: 2.1987125583191096
Energy: 2.3648274179874567
Energy: 2.1991451475404973
Energy: 2.603493356762818
Energy: 2.049703414572976
Energy: 2.603493356764721
Energy: 2.1991451475398627
Energy: 2.603493356764721
Energy: 2.0828674295511362
Energy: 2.241760218727801
Energy: 2.0499391926012276
Energy: 2.2417602187284356
Energy: 2.0828674295511362
Energy: 2.2417602187303394
Energy: 2.0847172330213035
Energy: 2.5533305768857137
Energy: 2.568201288245972
Energy: 2.5533305768863483
Energy: 2.0847172330219386
Energy: 2.5533305768876176
Energy: 2.0498539160663216
Energy: 2.4301881209625518
Energy: 2.895158815353691
Energy: 2.430188120961917
Energy: 2.049853916065687
Energy: 2.4301881209612826
Energy: 2.084402778851188
Energy: 2.2170125829488034
Energy: 2.0496788046444143
Energy: 2.217012582948169
Energy: 2.0844027788518225
Energy: 2.2170125829500726
Energy: 2.198691326524796
Energy: 2.563530831080277
Energy: 2.0501930710538137
Energy: 2.563530831033321
Energy: 2.198691326524796
Energy: 2.5635308288165928

minimum gb energy = 2.049528603895575 eV
minimum distance =  2.32871136310456 Angstroms
sigma value = 81


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

Energy: 2.0864694352465927
Energy: 2.0865840686627073
Energy: 3.160688273514742
Energy: 2.0865840686627073
Energy: 2.086469435245904
Energy: 2.086584068663184
Energy: 2.0866168956377655
Energy: 2.086885754349342
Energy: 2.086494211122143
Energy: 2.0868857543505084
Energy: 2.0866168956372886
Energy: 2.0868857543500576
Energy: 2.0864884945280493
Energy: 2.0869153044278206
Energy: 2.1088243721603024
Energy: 2.0869153044266544
Energy: 2.086488494528261
Energy: 2.0869153044268933
Energy: 2.529425456608965
Energy: 2.0865840686634223
Energy: 2.086469435246354
Energy: 2.0865840686622565
Energy: 2.5294254566653436
Energy: 2.086584068661541
Energy: 2.0864942111219045
Energy: 2.086885754349342
Energy: 2.086616895636123
Energy: 2.0868857543512234
Energy: 2.0864942111219045
Energy: 2.086885754350747
Energy: 2.086629864248674
Energy: 2.08691530442737
Energy: 2.086488494527811
Energy: 2.086915304427582
Energy: 2.086629864249151
Energy: 2.0869153044268933
Energy: 2.086469435246354
Energy: 2.0865840686627073
Energy: 2.5294254566672243
Energy: 2.0865840686629458
Energy: 2.086469435246354
Energy: 2.0865840686627073
Energy: 2.086616895633553
Energy: 2.08688575435027
Energy: 2.086494211122143
Energy: 2.0868857543498196
Energy: 2.0866168956351956
Energy: 2.086885754349581
Energy: 2.0864884945280493
Energy: 2.0869153044266544
Energy: 2.0866298642496015
Energy: 2.086915304427582
Energy: 2.086488494528261
Energy: 2.08691530442737
Energy: 2.259396880454995
Energy: 2.0865840686627073
Energy: 2.086469435246354
Energy: 2.0865840686620185
Energy: 2.2593968804561606
Energy: 2.0865840686622565

minimum gb energy = 2.086469435245904 eV
minimum distance =  2.50008693533146 Angstroms
sigma value = 3


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

Energy: 2.958524619399417
Energy: 2.7606950313922964
Energy: 3.1924650288221015
Energy: 2.760695031386017
Energy: 2.958524619400115
Energy: 2.760695031395785
Energy: 2.6304432064668455
Energy: 2.269769385823157
Energy: 2.0587524817502367
Energy: 2.269769385824553
Energy: 2.6304432064668455
Energy: 2.269769385824553
Energy: 2.0789736490586987
Energy: 2.0786758686695466
Energy: 2.629344887838496
Energy: 2.0786758686688493
Energy: 2.0789736490586987
Energy: 2.0786758686688493
Energy: 2.619428127942204
Energy: 2.8225756726699527
Energy: 2.2932433275532826
Energy: 2.8225756726671625
Energy: 2.6194281279429017
Energy: 2.8225756726671625
Energy: 2.25604411351543
Energy: 2.254509194786182
Energy: 2.7070763455828217
Energy: 2.25450919478688
Energy: 2.25604411351543
Energy: 2.25450919478688
Energy: 2.38014914206401
Energy: 2.138217265520258
Energy: 2.036874517821794
Energy: 2.138217265520258
Energy: 2.38014914206401
Energy: 2.13821726551956
Energy: 2.2564041710772003
Energy: 2.2537139110482993
Energy: 2.2760448386396552
Energy: 2.2537139110476017
Energy: 2.2564041710772003
Energy: 2.2537139110476017
Energy: 2.263110713387688
Energy: 2.711752237682928
Energy: 2.292856715702958
Energy: 2.711752237682928
Energy: 2.263110713387688
Energy: 2.711752237682928
Energy: 2.0859560924729696
Energy: 2.3619994768054062
Energy: 2.856374976672338
Energy: 2.361999476804011
Energy: 2.0859560924729696
Energy: 2.361999476803313
Energy: 2.086222870056431
Energy: 2.108127455789815
Energy: 2.0588834369852766
Energy: 2.1081274558393193
Energy: 2.086222870056431
Energy: 2.108127455782838
Energy: 2.6923651418456793
Energy: 2.7814711097469504
Energy: 2.276583516593522
Energy: 2.781471109750439
Energy: 2.692365141844981
Energy: 2.781471109750439
Energy: 2.6976835200791185
Energy: 2.5112751799343003
Energy: 2.059264875471867
Energy: 2.511275179933602
Energy: 2.6976835200784204
Energy: 2.511275179933602
Energy: 2.0823170378078344
Energy: 2.353843880654673
Energy: 2.0669033601789506
Energy: 2.3538438806532778
Energy: 2.0823170378078344
Energy: 2.3538438806532778
Energy: 2.085446573034273
Energy: 2.549603280767295
Energy: 2.3007344772029463
Energy: 2.5496032807679927
Energy: 2.085446573033576
Energy: 2.5496032807679927
Energy: 2.2630824661066344
Energy: 2.4003673587013252
Energy: 2.3009676922219158
Energy: 2.4003673587013252
Energy: 2.2630824661066344
Energy: 2.4003673587013252
Energy: 2.2627905556337558
Energy: 2.10909204751397
Energy: 2.036779614080615
Energy: 2.1090920475125747
Energy: 2.2627905556337558
Energy: 2.1090920475104817
Energy: 2.2629081631367254
Energy: 2.109007821173603
Energy: 2.038395936206375
Energy: 2.109007821172207
Energy: 2.2629081631367254
Energy: 2.109007821172905
Energy: 2.262535929276514
Energy: 2.44903416920988
Energy: 2.3010007097593053
Energy: 2.449034169209182
Energy: 2.2625359292772123
Energy: 2.449034169209182
Energy: 2.0854966274747975
Energy: 2.61861434678447
Energy: 2.300906235674819
Energy: 2.618614346785168
Energy: 2.0854966274747975
Energy: 2.618614346785168
Energy: 2.0855787714996255
Energy: 2.3868064211126305
Energy: 2.067542430237436
Energy: 2.386806421110537
Energy: 2.0855787714996255
Energy: 2.3868064211098394
Energy: 2.8866218980520655
Energy: 2.508782471321413
Energy: 2.0669523614141205
Energy: 2.5087824713221107
Energy: 2.886621898051368
Energy: 2.5087824713221107
Energy: 2.88023099188386
Energy: 2.56521990436781
Energy: 2.2763768777992124
Energy: 2.565219904368507
Energy: 2.88023099188386
Energy: 2.56521990436781
Energy: 2.085856009464742
Energy: 2.3884366534495185
Energy: 2.0682086143074683
Energy: 2.3884366534516115
Energy: 2.085856009464742
Energy: 2.3884366534509134
Energy: 2.0852384628623697
Energy: 2.527550202402032
Energy: 2.6668357194260546
Energy: 2.527550202400637
Energy: 2.0852384628623697
Energy: 2.527550202400637
Energy: 2.2649149711203655
Energy: 2.501513710965916
Energy: 2.294702048691198
Energy: 2.5015137109652184
Energy: 2.264914971119668
Energy: 2.5015137109652184
Energy: 2.2559890577011577
Energy: 2.8294630150738125
Energy: 2.1426745641341456
Energy: 2.829463015075208
Energy: 2.2559890577011577
Energy: 2.8294630150759055
Energy: 2.2649132404762935
Energy: 2.5637304876817035
Energy: 2.04005016363859
Energy: 2.563730487682401
Energy: 2.2649132404762935
Energy: 2.563730487682401
Energy: 2.256452431485276
Energy: 2.7003495654663423
Energy: 2.8295662994013546
Energy: 2.7003495654663423
Energy: 2.256452431485276
Energy: 2.70034956546704
Energy: 2.2972960787604673
Energy: 2.6205327063806734
Energy: 2.2925608168988725
Energy: 2.6205327063757897
Energy: 2.297296078761165
Energy: 2.620532706376487
Energy: 2.0805184053036934
Energy: 2.078753614139014
Energy: 2.5280756482488633
Energy: 2.078753614139014
Energy: 2.0805184053036934
Energy: 2.0787536141383165
Energy: 2.5260593931987794
Energy: 2.2696928407077133
Energy: 2.061076185831053
Energy: 2.269692840709109
Energy: 2.5260593931980813
Energy: 2.269692840709109
Energy: 2.714272051789993
Energy: 2.6877209386570358
Energy: 2.1194995609506475
Energy: 2.68772093865285
Energy: 2.714272051789993
Energy: 2.68772093865285
Energy: 2.7840488881220193
Energy: 2.2698028408571833
Energy: 2.057706179421001
Energy: 2.269802840855788
Energy: 2.7840488881227174
Energy: 2.269802840855788

minimum gb energy = 2.036779614080615 eV
minimum distance =  2.37822368452207 Angstroms
sigma value = 67


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

Energy: 2.3085455989384096
Energy: 2.53398356814747
Energy: 3.0581423257449605
Energy: 2.5339835681494587
Energy: 2.3085455989384096
Energy: 2.5339835681494587
Energy: 2.708809759503286
Energy: 2.2409128460831624
Energy: 2.0402689355368104
Energy: 2.240912846081174
Energy: 2.7088097595042804
Energy: 2.240912846081174
Energy: 2.044564964491317
Energy: 2.1446710074771422
Energy: 2.391631153463811
Energy: 2.1446710074810733
Energy: 2.044564964491317
Energy: 2.1446710074810733
Energy: 2.642370187141299
Energy: 2.519704838269085
Energy: 2.233595385497211
Energy: 2.5197048382710743
Energy: 2.642370187141299
Energy: 2.5197048382710743
Energy: 2.240038450253698
Energy: 2.9541724118052177
Energy: 2.851050622957149
Energy: 2.9541724118032295
Energy: 2.240038450253698
Energy: 2.9541724118032295
Energy: 2.2367236521977456
Energy: 2.4231717292459933
Energy: 2.023946205397921
Energy: 2.4231717292459933
Energy: 2.2367236521977456
Energy: 2.4231717292459933
Energy: 2.079055965066677
Energy: 2.2398550252977847
Energy: 2.0494723000900166
Energy: 2.239855025298779
Energy: 2.079055965066677
Energy: 2.239855025298779
Energy: 2.2512476740185443
Energy: 2.738516120524486
Energy: 2.741824255854679
Energy: 2.7385161205274686
Energy: 2.2512476740185443
Energy: 2.7385161205274686
Energy: 2.2482763319417858
Energy: 2.246476653387092
Energy: 2.736629890515242
Energy: 2.2464766533831146
Energy: 2.2482763319417858
Energy: 2.2464766533831146
Energy: 2.2439757099064486
Energy: 2.2423234518463326
Energy: 2.0416774251895755
Energy: 2.2423234518672093
Energy: 2.2439757099064486
Energy: 2.2423234518334088
Energy: 2.2375863110537555
Energy: 2.649462268890018
Energy: 2.0486303037756497
Energy: 2.6494622688850478
Energy: 2.2375863110537555
Energy: 2.6494622688850478
Energy: 2.239120191329522
Energy: 2.4491676228934027
Energy: 2.2378170537996
Energy: 2.449167622897379
Energy: 2.239120191329522
Energy: 2.449167622896385
Energy: 2.052126201900197
Energy: 2.0434031758604077
Energy: 2.2347316835777926
Energy: 2.0434031758683613
Energy: 2.0521262019011908
Energy: 2.0434031758713433
Energy: 2.0479034490567356
Energy: 2.3405664341665053
Energy: 2.2514225472318157
Energy: 2.3405664341684935
Energy: 2.047903449055741
Energy: 2.3405664341684935
Energy: 2.815403560811477
Energy: 2.614192788948062
Energy: 2.2449306326370153
Energy: 2.6141927889460743
Energy: 2.815403560809489
Energy: 2.6141927889460743
Energy: 2.982083476326695
Energy: 2.628899557552848
Energy: 2.250688236518018
Energy: 2.628899557553842
Energy: 2.9820834763276887
Energy: 2.6288995575508594
Energy: 2.0532477387990142
Energy: 2.2406140213992907
Energy: 2.0310453013699337
Energy: 2.2406140214052557
Energy: 2.053247738798065
Energy: 2.2406140214052557
Energy: 2.0279970305015906
Energy: 2.605895040360153
Energy: 2.2369716999302494
Energy: 2.6058950403611467
Energy: 2.0279970305015906
Energy: 2.6058950403611467
Energy: 2.491617525529137
Energy: 2.959035432654976
Energy: 2.2364400689460946
Energy: 2.959035432656964
Energy: 2.491617525534107
Energy: 2.959035432656964
Energy: 2.2337157297307835
Energy: 2.6013530718572637
Energy: 2.631913201167551
Energy: 2.6013530718552755
Energy: 2.2337157297307835
Energy: 2.601353071850305
Energy: 2.584060831928955
Energy: 2.2838756019066957
Energy: 2.015445444377711
Energy: 2.283875601905702
Energy: 2.584060831923985
Energy: 2.283875601905702
Energy: 2.0461898679225046
Energy: 2.238329288540785
Energy: 2.731361139926077
Energy: 2.238329288539791
Energy: 2.0461898679225046
Energy: 2.238329288538797
Energy: 2.7049706162947666
Energy: 2.793726345207984
Energy: 2.0750337226266096
Energy: 2.793726345207984
Energy: 2.7049706162957605
Energy: 2.793726345207984

minimum gb energy = 2.015445444377711 eV
minimum distance =  2.39142695789284 Angstroms
sigma value = 33


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

Energy: 2.45791889732003
Energy: 2.8868968050090915
Energy: 2.9641158647347305
Energy: 2.886896805009722
Energy: 2.4579188973193995
Energy: 2.8868968050090915
Energy: 2.939776904043994
Energy: 2.416419931313705
Energy: 1.9593089002823414
Energy: 2.416419931313705
Energy: 2.939776904043994
Energy: 2.416419931313705
Energy: 1.9644902227014325
Energy: 2.0686896375957446
Energy: 2.6450629504290095
Energy: 2.068689637594483
Energy: 1.9644902227014325
Energy: 2.068689637595114
Energy: 2.0618865629343337
Energy: 2.3824728826860087
Energy: 1.9787354769915813
Energy: 2.3824728826860087
Energy: 2.0618865629349643
Energy: 2.3824728826860087
Energy: 2.4136001891133136
Energy: 2.509455943339052
Energy: 2.3829042057754846
Energy: 2.5094559433403134
Energy: 2.4136001891133136
Energy: 2.5094559433384216
Energy: 2.409782258830884
Energy: 2.4368447220698637
Energy: 1.9670812093848715
Energy: 2.436844722069233
Energy: 2.4097822588302535
Energy: 2.4368447220698637
Energy: 1.9634966815235824
Energy: 1.9860207636358342
Energy: 1.987035186641957
Energy: 1.9860207636352034
Energy: 1.9634966815229515
Energy: 1.986020763634573
Energy: 1.9899088541193444
Energy: 1.9590898569497515
Energy: 2.415767032211275
Energy: 1.9590898569566884
Energy: 1.9899088541193444
Energy: 1.9590898569642565
Energy: 2.383316286231658
Energy: 2.303354638954074
Energy: 2.4193743836451564
Energy: 2.3033546389534436
Energy: 2.383316286231658
Energy: 2.3033546389534436
Energy: 1.9877437801103601
Energy: 2.355427716103159
Energy: 1.9636412188072614
Energy: 2.355427716103159
Energy: 1.9877437801103601
Energy: 2.2806003259365553
Energy: 1.9641711778597728
Energy: 2.574472192386732
Energy: 1.986840294060044
Energy: 2.574472192386732
Energy: 1.9641711778604034
Energy: 2.574472192387363
Energy: 1.9671692701730374
Energy: 2.1015949619604655
Energy: 2.8660341631734596
Energy: 2.1015949619604655
Energy: 1.967169270172407
Energy: 2.1015949619604655
Energy: 2.399628620747522
Energy: 2.5262853354223296
Energy: 2.467741341773826
Energy: 2.5262853354229606
Energy: 2.3996286207456308
Energy: 2.5262853354223296
Energy: 1.9594160702240024
Energy: 2.418630911029264
Energy: 1.9738177182201726
Energy: 2.418630911029264
Energy: 1.9594160702246333
Energy: 2.4186309110298945
Energy: 2.449650741130533
Energy: 2.0681632694103196
Energy: 1.962082436538681
Energy: 2.0681632694096894
Energy: 2.449650741130533
Energy: 2.0681632694096894
Energy: 1.9788710354568575
Energy: 2.3867493119579897
Energy: 2.8036159605763937
Energy: 2.3867493119579897
Energy: 1.978871035456227
Energy: 2.386749311957359
Energy: 2.919304164598482
Energy: 2.8788591100118484
Energy: 2.4124586959093968
Energy: 2.87885911001311
Energy: 2.9193041645978512
Energy: 2.87885911001311
Energy: 1.9609880091218874
Energy: 1.984675190454399
Energy: 2.6335164966419717
Energy: 1.9846751904550295
Energy: 1.9609880091218874
Energy: 1.9846751904550295
Energy: 2.1818929700916674
Energy: 1.9850640401234678
Energy: 1.969084855163123
Energy: 1.9850640401222064
Energy: 2.1818929700922984
Energy: 1.9850640401222064
Energy: 2.41601852860212
Energy: 2.5084070013928086
Energy: 1.9944080773750996
Energy: 2.508407001392178
Energy: 2.4160185286027502
Energy: 2.5084070013915474
Energy: 2.8013378148444823
Energy: 2.274037136634518
Energy: 1.9837831539999964
Energy: 2.274037136632626
Energy: 2.8013378148444823
Energy: 2.274037136633887
Energy: 1.9617611168251583
Energy: 2.3743814397126437
Energy: 2.382824865800112
Energy: 2.3743814397126437
Energy: 1.9617611168251583
Energy: 2.3743814397126437
Energy: 1.9908749848642073
Energy: 2.5743955454291934
Energy: 1.9649960051105666
Energy: 2.5743955454291934
Energy: 1.9908749848642073
Energy: 2.5743955454291934
Energy: 2.4671575705179682
Energy: 1.9653232079016263
Energy: 1.9690407410386426
Energy: 1.9653232078991036
Energy: 2.4671575705173376
Energy: 1.9653232078984726
Energy: 2.8718599533604334
Energy: 2.1799617909533073
Energy: 1.964131855964855
Energy: 2.1799617909608755
Energy: 2.871859953359803
Energy: 2.1799617909596143
Energy: 1.989724187820863
Energy: 2.5740485539990052
Energy: 1.9671585414270136
Energy: 2.5740485539996363
Energy: 1.9897241878214937
Energy: 2.5740485539996363
Energy: 1.9614678000551873
Energy: 1.9860118874584713
Energy: 2.3833127805599266
Energy: 1.9860118874584713
Energy: 1.9614678000551873
Energy: 1.9860118874559485
Energy: 2.4096047693831144
Energy: 2.283274983136644
Energy: 1.9880526944019312
Energy: 2.2832749831372743
Energy: 2.4096047693831144
Energy: 2.283274983137905
Energy: 2.413699574760092
Energy: 2.513968611500383
Energy: 1.994611904773236
Energy: 2.5139686114997524
Energy: 2.413699574760092
Energy: 2.5139686114997524
Energy: 1.9849709419642076
Energy: 1.9993721258085742
Energy: 1.961184845535307
Energy: 1.999372125809205
Energy: 1.9849709419648385
Energy: 1.999372125809205
Energy: 1.9636074350811537
Energy: 2.2839055478944568
Energy: 2.8009937567821597
Energy: 2.2839055478944568
Energy: 1.9636074350805233
Energy: 2.2839055478944568
Energy: 2.383037563294361
Energy: 2.879325121146248
Energy: 2.4157152284454555
Energy: 2.8793251211468784
Energy: 2.3830375632949914
Energy: 2.8793251211468784
Energy: 1.978962924558025
Energy: 2.385115520191444
Energy: 2.632275168278907
Energy: 2.385115520190183
Energy: 1.978962924558025
Energy: 2.385115520190183
Energy: 2.7044821131582935
Energy: 2.069189346989197
Energy: 1.9605499993393773
Energy: 2.069189346987936
Energy: 2.7044821131589245
Energy: 2.069189346987936
Energy: 1.960279020615118
Energy: 2.416892757980747
Energy: 2.5942886264215432
Energy: 2.416892757981377
Energy: 1.960279020615118
Energy: 2.416892757980747
Energy: 2.399904210287098
Energy: 2.5261794281031293
Energy: 2.4619015361437087
Energy: 2.5261794281031293
Energy: 2.399904210287098
Energy: 2.5261794281043906
Energy: 1.9655554645173607
Energy: 2.6457310053457346
Energy: 2.8720461995341435
Energy: 2.6457310053457346
Energy: 1.9655554645173607
Energy: 2.6457310053457346

minimum gb energy = 1.9590898569497515 eV
minimum distance =  2.37642056914697 Angstroms
sigma value = 41


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

Energy: 1.7763626465545654
Energy: 1.72417097052808
Energy: 2.9567370997762406
Energy: 1.72417097052808
Energy: 1.7763626465562874
Energy: 1.72417097052808
Energy: 2.7298400105049403
Energy: 1.6991271618163974
Energy: 1.6986040612538602
Energy: 1.6991271618163974
Energy: 2.7298400105049403
Energy: 1.6991271618181194
Energy: 1.7736507457187625
Energy: 1.9646771566002794
Energy: 1.6990101972104046
Energy: 1.9646771566020016
Energy: 1.7736507457187625
Energy: 1.9646771566002794
Energy: 2.7314520006315144
Energy: 1.6997133570769298
Energy: 1.6987614828155335
Energy: 1.6997133570769298
Energy: 2.7314520006297927
Energy: 1.6997133570786518
Energy: 1.7726930713195317
Energy: 2.381289948863828
Energy: 1.6993776094652502
Energy: 2.381289948863828
Energy: 1.7726930713178097
Energy: 2.381289948863828
Energy: 1.772961361750687
Energy: 1.7988514593391811
Energy: 1.6988648290777426
Energy: 1.798851459340903
Energy: 1.7729613617524087
Energy: 1.798851459340903
Energy: 2.7333071035770957
Energy: 1.7000228601069556
Energy: 1.6989040897390904
Energy: 1.7000228601069556
Energy: 2.733307103575374
Energy: 1.7000228601069556
Energy: 1.7734445160598495
Energy: 1.7003745953814817
Energy: 1.7001799055646514
Energy: 1.7003745961852097
Energy: 1.7734445160598495
Energy: 1.7003745945587738
Energy: 2.6930904051819855
Energy: 1.8021377354297543
Energy: 1.6986717338409474
Energy: 1.8021377354297543
Energy: 2.6930904051819855
Energy: 1.8021377354297543
Energy: 1.7652931976167017
Energy: 2.3757590165917524
Energy: 1.7061419424375641
Energy: 2.3757590165917524
Energy: 1.7652931976167017
Energy: 2.3757590165917524
Energy: 2.6719714230385896
Energy: 1.7001246099836957
Energy: 1.7054051313682956
Energy: 1.7001246099854177
Energy: 2.6719714230385896
Energy: 1.7001246099836957
Energy: 1.764420373025223
Energy: 1.9695434269776915
Energy: 2.723265006766004
Energy: 1.9695434269776915
Energy: 1.764420373023501
Energy: 1.9695434269776915
Energy: 2.6718453757089295
Energy: 1.7000908047150565
Energy: 1.7053878062415748
Energy: 1.7000908047150565
Energy: 2.6718453757089295
Energy: 1.7000908047150565
Energy: 1.765257481240608
Energy: 2.3759198539261903
Energy: 1.7062577828279832
Energy: 2.375919853927912
Energy: 1.7652574812388862
Energy: 2.375919853927912

minimum gb energy = 1.6986040612538602 eV
minimum distance =  2.42572483622014 Angstroms
sigma value = 11


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

Energy: 2.6890806392657005
Energy: 2.1203162454999154
Energy: 2.8597481025324702
Energy: 2.120316245497646
Energy: 2.689080639264944
Energy: 2.1203162454999154
Energy: 2.685542027953749
Energy: 2.6270509721818875
Energy: 2.1181803265755916
Energy: 2.6270509721811313
Energy: 2.685542027953749
Energy: 2.6270509721811313
Energy: 2.117502862137199
Energy: 2.4129995720310395
Energy: 2.1199545311135375
Energy: 2.4129995720310395
Energy: 2.1175028621364427
Energy: 2.4129995720310395
Energy: 2.137553499262445
Energy: 2.1312079293231263
Energy: 2.116366377229513
Energy: 2.1312079293223696
Energy: 2.137553499261689
Energy: 2.1312079293223696
Energy: 2.3434119914752976
Energy: 2.411409491932734
Energy: 2.1253701534286056
Energy: 2.4114094919334903
Energy: 2.3434119914752976
Energy: 2.4114094919334903
Energy: 2.1637443475949305
Energy: 2.4819600593990483
Energy: 2.4053049968409645
Energy: 2.481960059398292
Energy: 2.1637443475949305
Energy: 2.481960059398292
Energy: 2.1234246138443322
Energy: 2.6018956077506976
Energy: 2.168051279029843
Energy: 2.6018956077506976
Energy: 2.1234246138443322
Energy: 2.6018956077499413
Energy: 2.1171363984694573
Energy: 2.129496131502965
Energy: 2.2418169079726367
Energy: 2.1294961315037213
Energy: 2.1171363984694573
Energy: 2.1294961315037213
Energy: 2.2941019899911006
Energy: 2.222170502323065
Energy: 2.1162818745773992
Energy: 2.222170502323065
Energy: 2.294101989992613
Energy: 2.222170502323065
Energy: 2.117644522939281
Energy: 2.6869355236845074
Energy: 2.2544367889986865
Energy: 2.6869355236852646
Energy: 2.117644522939281
Energy: 2.6869355236852646
Energy: 2.384110485022143
Energy: 2.7233055589940025
Energy: 2.3772263303392447
Energy: 2.7233055589947583
Energy: 2.384110485022143
Energy: 2.7233055589947583
Energy: 2.1215580678311996
Energy: 2.3645711049126468
Energy: 2.4330830667732855
Energy: 2.3645711049035696
Energy: 2.1215580678311996
Energy: 2.364571104905839
Energy: 2.1179672930335274
Energy: 2.419531402972965
Energy: 2.4531761399097713
Energy: 2.419531402972965
Energy: 2.1179672930335274
Energy: 2.419531402972965
Energy: 2.123457455940058
Energy: 2.2174733474340176
Energy: 2.123161291618987
Energy: 2.2174733474332613
Energy: 2.123457455940058
Energy: 2.2174733474332613
Energy: 2.11635193207796
Energy: 2.4666023381638307
Energy: 2.1175702833317733
Energy: 2.4666023381630744
Energy: 2.11635193207796
Energy: 2.4666023381630744
Energy: 2.499899361190965
Energy: 2.5996650564899584
Energy: 2.1692436299230193
Energy: 2.5996650564907156
Energy: 2.499899361190965
Energy: 2.5996650564907156
Energy: 2.1680055918582486
Energy: 2.6012704025981654
Energy: 2.1174399615163293
Energy: 2.6012704025989217
Energy: 2.168005591859005
Energy: 2.6012704025989217
Energy: 2.2323074761879864
Energy: 2.560305436993016
Energy: 2.1164938657452157
Energy: 2.560305436993016
Energy: 2.2323074761879864
Energy: 2.560305436993773
Energy: 2.1269258796122528
Energy: 2.4131582874640505
Energy: 2.123701413420971
Energy: 2.4131582874640505
Energy: 2.1269258796122528
Energy: 2.4131582874632937
Energy: 2.116525857163313
Energy: 2.4125490834795063
Energy: 2.1182504751706097
Energy: 2.412549083481019
Energy: 2.1165258571625567
Energy: 2.4125490834802625
Energy: 2.4452008232965587
Energy: 2.3653288561854593
Energy: 2.117054164052184
Energy: 2.3653288561854593
Energy: 2.4452008232988285
Energy: 2.365328856186216
Energy: 2.3772998014682303
Energy: 2.721981823867367
Energy: 2.513070434141577
Energy: 2.7219818238681235
Energy: 2.377299801468987
Energy: 2.7219818238681235
Energy: 2.315089599774336
Energy: 2.627320459028917
Energy: 2.1361790830799734
Energy: 2.627320459029674
Energy: 2.315089599775092
Energy: 2.627320459029674
Energy: 2.1165490081400553
Energy: 2.219352372887062
Energy: 2.2955631023094343
Energy: 2.219352372887062
Energy: 2.116549008139299
Energy: 2.219352372887818
Energy: 2.2420043265078067
Energy: 2.1295654310163985
Energy: 2.1120108363405588
Energy: 2.1295654310163985
Energy: 2.2420043265085634
Energy: 2.1295654310163985
Energy: 2.164977979676482
Energy: 2.6645999567776757
Energy: 2.1231169280226214
Energy: 2.6645999567769194
Energy: 2.164977979676482
Energy: 2.6645999567776757
Energy: 2.3432480899867367
Energy: 2.365917181428493
Energy: 2.34344016417897
Energy: 2.365917181603158
Energy: 2.3432480899867367
Energy: 2.3659171816651496
Energy: 2.1230949506247407
Energy: 2.412181667168596
Energy: 2.163465919953931
Energy: 2.412181667169353
Energy: 2.1230949506247407
Energy: 2.412181667169353
Energy: 2.1173427083675915
Energy: 2.129770353804085
Energy: 2.1369456207145743
Energy: 2.129770353803328
Energy: 2.1173427083683483
Energy: 2.129770353803328
Energy: 2.112647472901117
Energy: 2.3690995610308554
Energy: 2.1166716774715355
Energy: 2.369099561030099
Energy: 2.112647472901117
Energy: 2.369099561030099
Energy: 2.121419674756152
Energy: 2.6267714079805953
Energy: 2.684891310593677
Energy: 2.6267714079798385
Energy: 2.121419674756152
Energy: 2.6267714079805953

minimum gb energy = 2.1120108363405588 eV
minimum distance =  2.38651210449353 Angstroms
sigma value = 57


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

Energy: 2.3201232775985487
Energy: 2.2622585581068018
Energy: 2.7632329599267136
Energy: 2.262258558105456
Energy: 2.3201232775985487
Energy: 2.262258558105456
Energy: 2.2841417997609628
Energy: 2.2514781784065026
Energy: 2.2030054745572603
Energy: 2.2514781784065026
Energy: 2.2841417997609628
Energy: 2.3210832404723765
Energy: 2.204841568787741
Energy: 2.2966103462640235
Energy: 2.2034671127441605
Energy: 2.2966103462653695
Energy: 2.204841568787741
Energy: 2.2966103462653695
Energy: 2.2045363762297834
Energy: 2.4286424344882502
Energy: 2.204564095712407
Energy: 2.5163668701336896
Energy: 2.2045363762297834
Energy: 2.3370104276921393
Energy: 2.20346325565984
Energy: 2.2965814344884703
Energy: 2.204918200895669
Energy: 2.2965814344884703
Energy: 2.20346325565984
Energy: 2.2965814344884703
Energy: 2.2031394120123076
Energy: 2.2515625016554814
Energy: 2.284071997713097
Energy: 2.2515625016541354
Energy: 2.2031394120123076
Energy: 2.2515625016541354
Energy: 2.4400929710184034
Energy: 2.2622585581068018
Energy: 2.320123277599895
Energy: 2.2622585581068018
Energy: 2.4400929710184034
Energy: 2.2622585581068018
Energy: 2.2030054745586063
Energy: 2.3210832404723765
Energy: 2.2841417997609628
Energy: 2.3210832404710304
Energy: 2.2030054745572603
Energy: 2.5393597055681827
Energy: 2.2034671127441605
Energy: 2.2966103462640235
Energy: 2.204841568787741
Energy: 2.2966103462640235
Energy: 2.2034671127441605
Energy: 2.2966103462640235
Energy: 2.204564095711061
Energy: 2.337010429643066
Energy: 2.2045363762297834
Energy: 2.3370104299498142
Energy: 2.204564095711061
Energy: 2.359087620432788
Energy: 2.2049182008943227
Energy: 2.2965814344884703
Energy: 2.2034632556611857
Energy: 2.2965814344884703
Energy: 2.2049182008943227
Energy: 2.2965814344884703
Energy: 2.284071997711751
Energy: 2.2515625016554814
Energy: 2.2031394120123076
Energy: 2.2515625016554814
Energy: 2.284071997713097
Energy: 2.2515625016554814
Energy: 2.320123277599895
Energy: 2.2622585581068018
Energy: 2.4400929710184034
Energy: 2.262258558105456
Energy: 2.3201232775985487
Energy: 2.2622585581068018
Energy: 2.2841417997609628
Energy: 2.3210832404710304
Energy: 2.2030054745586063
Energy: 2.3210832404710304
Energy: 2.2841417997609628
Energy: 2.3210832404710304
Energy: 2.204841568787741
Energy: 2.2966103462640235
Energy: 2.2034671127428145
Energy: 2.2966103462640235
Energy: 2.204841568787741
Energy: 2.2966103462640235
Energy: 2.2045363762297834
Energy: 2.3370104327793193
Energy: 2.204564095712407
Energy: 2.337010431775619
Energy: 2.2045363762297834
Energy: 2.3370104330807138
Energy: 2.20346325565984
Energy: 2.2965814344884703
Energy: 2.204918200895669
Energy: 2.2965814344884703
Energy: 2.20346325565984
Energy: 2.2965814344884703

minimum gb energy = 2.2030054745572603 eV
minimum distance =  2.43403673823124 Angstroms
sigma value = 9


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

Energy: 2.619219075220741
Energy: 2.62454603470466
Energy: 2.7533945187958335
Energy: 2.6245460347024623
Energy: 2.61921907522184
Energy: 2.6245460347024623
Energy: 2.371623581694896
Energy: 2.3714263609271446
Energy: 2.388493466153039
Energy: 2.3714263609260455
Energy: 2.371623581695995
Energy: 2.3714263609260455
Energy: 2.319145459700755
Energy: 2.522852273302819
Energy: 2.3974659918384362
Energy: 2.5228522733050167
Energy: 2.319145459700755
Energy: 2.522852273303918
Energy: 2.367045877652179
Energy: 2.343967611944946
Energy: 2.2889437894942524
Energy: 2.3439676119482438
Energy: 2.367045877652179
Energy: 2.3439676119482438
Energy: 2.2652525197040863
Energy: 2.4156807521429773
Energy: 2.3473130826323305
Energy: 2.4156807521440764
Energy: 2.2652525197040863
Energy: 2.4156807521429773
Energy: 2.3661620981707974
Energy: 2.3436751519232395
Energy: 2.569287120831859
Energy: 2.343675151926537
Energy: 2.3661620981707974
Energy: 2.343675151926537
Energy: 2.353213326435592
Energy: 2.4581156564425672
Energy: 2.39941346441707
Energy: 2.458115656443667
Energy: 2.353213326434493
Energy: 2.4581156564425672
Energy: 2.1879285842956384
Energy: 2.709229833403159
Energy: 2.4004220969738386
Energy: 2.7092298334020604
Energy: 2.1879285842956384
Energy: 2.7092298334020604
Energy: 2.2606853880327553
Energy: 2.4116906710814634
Energy: 2.273608314632637
Energy: 2.4116906710836608
Energy: 2.260685388030557
Energy: 2.4116906710825616
Energy: 2.3326186332776047
Energy: 2.6105304509428104
Energy: 2.3995001132226084
Energy: 2.6105304509428104
Energy: 2.3326186332776047
Energy: 2.6105304509428104
Energy: 2.358360069050744
Energy: 2.5842665900873016
Energy: 2.2807480905419735
Energy: 2.584266590081806
Energy: 2.358360069050744
Energy: 2.584266590081806
Energy: 2.3669841254952004
Energy: 2.4311077899982796
Energy: 2.3718948996399303
Energy: 2.4311077899971805
Energy: 2.3669841254952004
Energy: 2.4311077899971805
Energy: 2.3596097205636597
Energy: 2.457363333474764
Energy: 2.2629764741503084
Energy: 2.457363333474764
Energy: 2.3596097205636597
Energy: 2.457363333474764
Energy: 2.3671134441810047
Energy: 2.3435193971640356
Energy: 2.378250649975136
Energy: 2.3435193971629364
Energy: 2.3671134441810047
Energy: 2.3435193971640356
Energy: 2.477498013060694
Energy: 2.612322825106671
Energy: 2.4200303406433137
Energy: 2.612322825103374
Energy: 2.4774980130595954
Energy: 2.6123228251044726
Energy: 2.3840026939122865
Energy: 2.4902284513081914
Energy: 2.3734561834016388
Energy: 2.490228451309291
Energy: 2.384002693914485
Energy: 2.4902284513103896
Energy: 2.372254641733747
Energy: 2.620632247766084
Energy: 2.3733306360329705
Energy: 2.6206322477671837
Energy: 2.3722546417348465
Energy: 2.6206322477671837
Energy: 2.366089188310969
Energy: 2.610373324413832
Energy: 2.4169473288338117
Energy: 2.6103733244127327
Energy: 2.366089188310969
Energy: 2.6103733244127327
Energy: 2.368431109934625
Energy: 2.3435611637339004
Energy: 2.2739495630800093
Energy: 2.3435611637349996
Energy: 2.3684311099357243
Energy: 2.3435611637349996
Energy: 2.3556869085638827
Energy: 2.4746250764406397
Energy: 2.347086057620681
Energy: 2.4746250764395405
Energy: 2.3556869085638827
Energy: 2.4746250764395405
Energy: 2.369276910756008
Energy: 2.3429834857951133
Energy: 2.2930708637498376
Energy: 2.3429834857951133
Energy: 2.369276910756008
Energy: 2.3429834857951133

minimum gb energy = 2.1879285842956384 eV
minimum distance =  2.42283042983096 Angstroms
sigma value = 27


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

Energy: 2.4212769776745495
Energy: 2.5409291530509255
Energy: 2.3610763062464044
Energy: 2.540929153049999
Energy: 2.4212769776745495
Energy: 2.540929153049999
Energy: 2.314652764479804
Energy: 2.412118352836601
Energy: 2.303490060333219
Energy: 2.412118352836601
Energy: 2.314652764479804
Energy: 2.412118352836601
Energy: 2.1980449561120743
Energy: 2.47927615237967
Energy: 2.3033962594387427
Energy: 2.47927615237967
Energy: 2.1980449561111484
Energy: 2.47927615237967
Energy: 2.173096710378874
Energy: 2.3175254428360486
Energy: 2.199273280569298
Energy: 2.3175254428360486
Energy: 2.173096710378874
Energy: 2.3175254428360486
Energy: 2.1692435848784166
Energy: 2.4097636838348806
Energy: 2.173439845365312
Energy: 2.4097636838339542
Energy: 2.1692435848784166
Energy: 2.4097636838330274
Energy: 2.199229598939589
Energy: 2.3442443219687066
Energy: 2.1922498417147875
Energy: 2.34424432196778
Energy: 2.199229598939589
Energy: 2.34424432196778
Energy: 2.173314825351978
Energy: 2.33868954529274
Energy: 2.1731595634390803
Energy: 2.3386895452936662
Energy: 2.173314825351978
Energy: 2.3386895452936662
Energy: 2.3142657176003785
Energy: 2.366479342430961
Energy: 2.1732396497583366
Energy: 2.3664793424318873
Energy: 2.314265717601305
Energy: 2.3664793424318873
Energy: 2.34588674727749
Energy: 2.314888494313852
Energy: 2.4804267869894536
Energy: 2.3148884943147787
Energy: 2.34588674727749
Energy: 2.3148884943147787
Energy: 2.166727114855044
Energy: 2.428930452031212
Energy: 2.233099743686516
Energy: 2.428930452032138
Energy: 2.166727114855044
Energy: 2.428930452032138
Energy: 2.1668728065559604
Energy: 2.428876159042246
Energy: 2.3812828986746757
Energy: 2.4288761590403936
Energy: 2.166872806555034
Energy: 2.428876159081114
Energy: 2.3458840228224265
Energy: 2.3150774096014413
Energy: 2.480561953175844
Energy: 2.3150774096023676
Energy: 2.3458840228224265
Energy: 2.3150774096014413
Energy: 2.314307266906936
Energy: 2.3676983153745543
Energy: 2.173063986217338
Energy: 2.367698315375481
Energy: 2.314307266906936
Energy: 2.367698315375481
Energy: 2.173078458863471
Energy: 2.339236044944123
Energy: 2.1733354560960287
Energy: 2.339236044943197
Energy: 2.173078458863471
Energy: 2.339236044943197
Energy: 2.1992255407442753
Energy: 2.34494405144853
Energy: 2.192188613986766
Energy: 2.3449440514476034
Energy: 2.1992255407442753
Energy: 2.3449440514476034
Energy: 2.1690999824477033
Energy: 2.4097636838330274
Energy: 2.1731491286882405
Energy: 2.4097636838348806
Energy: 2.169099982446777
Energy: 2.4097636838348806
Energy: 2.1730965461520664
Energy: 2.3176380197579047
Energy: 2.203766752636141
Energy: 2.317638019758831
Energy: 2.1730965461520664
Energy: 2.317638019758831
Energy: 2.1979726842544265
Energy: 2.4793948639500996
Energy: 2.3033978501891257
Energy: 2.4793948639500996
Energy: 2.1979726842535
Energy: 2.4793948639500996
Energy: 2.314679404693611
Energy: 2.4120724650743486
Energy: 2.303310908720396
Energy: 2.412072465075275
Energy: 2.314679404692685
Energy: 2.412072465075275
Energy: 2.4212769776745495
Energy: 2.540929153049999
Energy: 2.361076306245478
Energy: 2.5409291530509255
Energy: 2.4212769776745495
Energy: 2.5409291530509255
Energy: 2.314652764479804
Energy: 2.412118352836601
Energy: 2.303490060333219
Energy: 2.412118352836601
Energy: 2.3146527644788777
Energy: 2.412118352836601
Energy: 2.1980449561120743
Energy: 2.47927615237967
Energy: 2.3033962594387427
Energy: 2.47927615237967
Energy: 2.1980449561120743
Energy: 2.47927615237967
Energy: 2.173096710378874
Energy: 2.317525442835122
Energy: 2.199273280569298
Energy: 2.317525442836975
Energy: 2.173096710378874
Energy: 2.3175254428360486
Energy: 2.1692435848784166
Energy: 2.4097636838339542
Energy: 2.1734398453671644
Energy: 2.4097636838348806
Energy: 2.1692435848784166
Energy: 2.4097636838330274
Energy: 2.199229598939589
Energy: 2.34424432196778
Energy: 2.192249841715714
Energy: 2.3442443219687066
Energy: 2.199229598939589
Energy: 2.3442443219687066

minimum gb energy = 2.166727114855044 eV
minimum distance =  2.43087045059313 Angstroms
sigma value = 19


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

Energy: 2.5068582117761387
Energy: 2.171245771169011
Energy: 2.55705393738554
Energy: 2.171245771168212
Energy: 2.5068582117761387
Energy: 2.171245771167412
Energy: 2.4576550003074416
Energy: 2.4649554786322048
Energy: 2.1882845146546512
Energy: 2.464955478630605
Energy: 2.4576550003074416
Energy: 2.464955478630605
Energy: 2.193490127952768
Energy: 2.473505545012879
Energy: 2.187777756657748
Energy: 2.473505545012879
Energy: 2.193490127952768
Energy: 2.473505545012879
Energy: 2.207491234039799
Energy: 2.3956088158801383
Energy: 2.1656433376179827
Energy: 2.3956088158793394
Energy: 2.2074912340405994
Energy: 2.3956088158793394
Energy: 2.124905483721483
Energy: 2.4667103833299926
Energy: 2.162327996452365
Energy: 2.466710383330792
Energy: 2.124905483720683
Energy: 2.466710383330792
Energy: 2.1431833084326275
Energy: 2.2926271367995894
Energy: 2.1505609766202904
Energy: 2.2926271367995894
Energy: 2.1431833084326275
Energy: 2.2926271367995894
Energy: 2.1131438957673914
Energy: 2.3517997465589993
Energy: 2.1624179957068894
Energy: 2.3517997465566
Energy: 2.1131438957681907
Energy: 2.3517997465566
Energy: 2.241530199244827
Energy: 2.292978824692432
Energy: 2.144011260229192
Energy: 2.292978824692432
Energy: 2.241530199244827
Energy: 2.292978824692432
Energy: 2.169135693862278
Energy: 2.387653078704578
Energy: 2.201072603476919
Energy: 2.387653078709376
Energy: 2.169135693862278
Energy: 2.387653078709376
Energy: 2.1221872341574866
Energy: 2.3728492685274705
Energy: 2.187050206686204
Energy: 2.3728492685274705
Energy: 2.1221872341566868
Energy: 2.3728492685266707
Energy: 2.2272995569891294
Energy: 2.4046807718735015
Energy: 2.167088109387731
Energy: 2.4046807718743013
Energy: 2.2272995569891294
Energy: 2.4046807718743013
Energy: 2.1824107081946806
Energy: 2.4216007547916054
Energy: 2.188544100475582
Energy: 2.4216007547916054
Energy: 2.1824107081946806
Energy: 2.4216007547924048
Energy: 2.185017204783301
Energy: 2.3116332271668045
Energy: 2.187248557202122
Energy: 2.3116332271660056
Energy: 2.1850172047841014
Energy: 2.3116332271652054
Energy: 2.1372255883864075
Energy: 2.413099994071907
Energy: 2.31305148895259
Energy: 2.4130999940703073
Energy: 2.1372255883864075
Energy: 2.4130999940711075
Energy: 2.2240515047718263
Energy: 2.4404719576152707
Energy: 2.187712413386276
Energy: 2.4404719576128717
Energy: 2.2240515047726257
Energy: 2.4404719576128717
Energy: 2.164742191203862
Energy: 2.2856371119092604
Energy: 2.125836705260903
Energy: 2.2856371119108596
Energy: 2.164742191203062
Energy: 2.2856371119108596
Energy: 2.1473449370435493
Energy: 2.2923758152130387
Energy: 2.1406985350978442
Energy: 2.2923758152114395
Energy: 2.1473449370435493
Energy: 2.2923758152122393
Energy: 2.181376679974827
Energy: 2.4807802448248566
Energy: 2.122832665654209
Energy: 2.4807802448264558
Energy: 2.1813766799740275
Energy: 2.4807802448264558
Energy: 2.143999986297326
Energy: 2.292598136800598
Energy: 2.140607146284493
Energy: 2.2925981368021975
Energy: 2.143999986296526
Energy: 2.2925981368013977
Energy: 2.2225507703596312
Energy: 2.3560756098056577
Energy: 2.135881804224602
Energy: 2.3560756098056577
Energy: 2.2225507703596312
Energy: 2.3560756098056577
Energy: 2.169012220830036
Energy: 2.395442675992741
Energy: 2.1875244932292817
Energy: 2.395442675991142
Energy: 2.169012220830036
Energy: 2.395442675991142
Energy: 2.1932004844966095
Energy: 2.3978696056136313
Energy: 2.2910087646395483
Energy: 2.3978696056128315
Energy: 2.1932004844966095
Energy: 2.3978696056128315
Energy: 2.262700107470999
Energy: 2.4275712787117123
Energy: 2.1874812478189782
Energy: 2.427571278712512
Energy: 2.262700107470999
Energy: 2.427571278712512
Energy: 2.2628771057800776
Energy: 2.555420698675343
Energy: 2.1371381153774607
Energy: 2.5554206986769428
Energy: 2.2628771057800776
Energy: 2.5554206986769428
Energy: 2.328890666343064
Energy: 2.4049275875908878
Energy: 2.1872409954226586
Energy: 2.4049275875924874
Energy: 2.328890666343864
Energy: 2.4049275875916876
Energy: 2.180066999900138
Energy: 2.4510069084223236
Energy: 2.187246000429512
Energy: 2.451006908420724
Energy: 2.180066999900138
Energy: 2.451006908420724
Energy: 2.169428424379117
Energy: 2.393934369716096
Energy: 2.208675117969753
Energy: 2.3939343697176594
Energy: 2.169428424379117
Energy: 2.3939343697168596
Energy: 2.1991039361209053
Energy: 2.373767069098492
Energy: 2.162591373765624
Energy: 2.373767069097693
Energy: 2.1991039361209053
Energy: 2.373767069097693
Energy: 2.1128250833754736
Energy: 2.341237863283302
Energy: 2.162422712490835
Energy: 2.341237863281703
Energy: 2.1128250833754736
Energy: 2.341237863281703

minimum gb energy = 2.1128250833754736 eV
minimum distance =  2.40157029855199 Angstroms
sigma value = 101


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

Energy: 2.348997601795501
Energy: 2.521035340530679
Energy: 2.336758662612968
Energy: 2.521035340530679
Energy: 2.348997601795501
Energy: 2.521035340530679
Energy: 2.063594301707843
Energy: 2.2627571342927433
Energy: 2.0667399084219253
Energy: 2.262757134293446
Energy: 2.0635943017085454
Energy: 2.262757134294149
Energy: 2.042200587927195
Energy: 2.360012682692491
Energy: 2.064134966584819
Energy: 2.360012682692491
Energy: 2.042200587927898
Energy: 2.360012682692491
Energy: 2.024612565088127
Energy: 2.3223437977700265
Energy: 2.0692471554618845
Energy: 2.3446967129897547
Energy: 2.0246125650888294
Energy: 2.2875016827824237
Energy: 2.0241189137145277
Energy: 2.2527661168088606
Energy: 2.070753437359997
Energy: 2.252766116810267
Energy: 2.0241189137138247
Energy: 2.252766116810267
Energy: 2.0427201844960363
Energy: 2.3313125364585456
Energy: 2.025006457946605
Energy: 2.3313125364585456
Energy: 2.0427201844960363
Energy: 2.3313125364585456
Energy: 2.0593122740897707
Energy: 2.3208533610628383
Energy: 2.0240207545294315
Energy: 2.3208533610628383
Energy: 2.0593122740897707
Energy: 2.3208533610621354
Energy: 2.070587710694265
Energy: 2.3210650232649126
Energy: 2.043454680046788
Energy: 2.2989558063530193
Energy: 2.070587710693562
Energy: 2.321065023266319
Energy: 2.023462466866952
Energy: 2.2746018298280255
Energy: 2.0424658352772314
Energy: 2.2746018298280255
Energy: 2.0234624668662495
Energy: 2.2746018298280255
Energy: 2.023247660322697
Energy: 2.2543256770315065
Energy: 2.024805844952544
Energy: 2.254325677030804
Energy: 2.023247660322697
Energy: 2.2543256770315065
Energy: 2.1184171232392512
Energy: 2.2440681184930926
Energy: 2.1545390454838365
Energy: 2.244068118491687
Energy: 2.1184171232392512
Energy: 2.2440681184923896
Energy: 2.066811345514193
Energy: 2.360103243304611
Energy: 2.0254046962005674
Energy: 2.3601032433039077
Energy: 2.066811345514193
Energy: 2.360103243304611
Energy: 2.062938471745514
Energy: 2.3601571791546245
Energy: 2.166609782480978
Energy: 2.3601571791546245
Energy: 2.062938471745514
Energy: 2.3601571791546245
Energy: 2.0675265156869793
Energy: 2.3569569417096936
Energy: 2.063228363250537
Energy: 2.4206824674346876
Energy: 2.067526515687682
Energy: 2.3569569417103966
Energy: 2.0232476144077385
Energy: 2.5513705547752963
Energy: 2.063072529648257
Energy: 2.5513705547745933
Energy: 2.0232476144077385
Energy: 2.5513705547745933
Energy: 2.063592816652984
Energy: 2.3623036263561112
Energy: 2.041794118541143
Energy: 2.3623036263554087
Energy: 2.063592816652984
Energy: 2.3623036263554087
Energy: 2.023880462367043
Energy: 2.3445338522071024
Energy: 2.0238107638729805
Energy: 2.3445338522071024
Energy: 2.023880462367043
Energy: 2.3445338522071024
Energy: 2.043205555613594
Energy: 2.2160565859049557
Energy: 2.026261574806543
Energy: 2.2160565859049557
Energy: 2.043205555612891
Energy: 2.2160565859049557
Energy: 2.039441454642439
Energy: 2.253327419688703
Energy: 2.0424929657212227
Energy: 2.253327419688
Energy: 2.039441454642439
Energy: 2.253327419688
Energy: 2.0249107330499707
Energy: 2.447831567256318
Energy: 2.0238973990070215
Energy: 2.447831567256318
Energy: 2.0249107330499707
Energy: 2.447831567255615
Energy: 2.058110485285575
Energy: 2.2151952655302796
Energy: 2.0707486771110415
Energy: 2.2151952655309826
Energy: 2.058110485285575
Energy: 2.2151952655302796
Energy: 2.04007585303126
Energy: 2.331982404133136
Energy: 2.0261368619663624
Energy: 2.331982404133136
Energy: 2.0400758530305576
Energy: 2.331982404133136
Energy: 2.0518648476131234
Energy: 2.253058723603591
Energy: 2.0235405452588875
Energy: 2.2530587236028876
Energy: 2.0518648476131234
Energy: 2.2530587236028876
Energy: 2.0237658331127863
Energy: 2.3052127865960785
Energy: 2.1183937803985113
Energy: 2.305212786596781
Energy: 2.0237658331127863
Energy: 2.305212786596781
Energy: 2.024010013730682
Energy: 2.421959592039366
Energy: 2.022938518931529
Energy: 2.421959592040069
Energy: 2.024010013730682
Energy: 2.421959592040069
Energy: 2.177642599339597
Energy: 2.2989169303734327
Energy: 2.0638075439228465
Energy: 2.2989169303734327
Energy: 2.177642599339597
Energy: 2.2989169303727293
Energy: 2.0630582480469797
Energy: 2.3560882354024084
Energy: 2.0233839284064103
Energy: 2.3560882354024084
Energy: 2.0630582480476822
Energy: 2.3560882354024084
Energy: 2.063109317196727
Energy: 2.3563131526377936
Energy: 2.0260047163672636
Energy: 2.3563131526377936
Energy: 2.0631093171974295
Energy: 2.356313152638496
Energy: 2.3291473073133275
Energy: 2.299302847571919
Energy: 2.228010360238413
Energy: 2.299302847574028
Energy: 2.32914730731403
Energy: 2.2993028475726223
Energy: 2.0253964230918604
Energy: 2.2481998327439103
Energy: 2.0260472832213825
Energy: 2.2481998327432073
Energy: 2.0253964230918604
Energy: 2.2481998327439103
Energy: 2.027185200172382
Energy: 2.305003952469952
Energy: 2.0419438688713174
Energy: 2.305003952469952
Energy: 2.027185200172382
Energy: 2.305003952469952
Energy: 2.1581199803528537
Energy: 2.2527329988989178
Energy: 2.025351480903875
Energy: 2.252732998898215
Energy: 2.1581199803535567
Energy: 2.252732998898215
Energy: 2.023694331850215
Energy: 2.4439563093609147
Energy: 2.0516691541861256
Energy: 2.4439563093602112
Energy: 2.023694331851621
Energy: 2.4439563093602112

minimum gb energy = 2.022938518931529 eV
minimum distance =  2.44423816845339 Angstroms
sigma value = 33


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

Energy: 0.019624168889625846
Energy: 0.020653864420742494
Energy: 2.1181675542478793
Energy: 0.020653864421326558
Energy: 0.019624168889625846
Energy: 0.020653864421326558
Energy: 0.019815524965780096
Energy: 1.4254798013702146
Energy: 0.019815524965780096
Energy: 1.4254798013702146
Energy: 0.01981552496522848
Energy: 1.4254798013702146
Energy: 2.3352102494174676
Energy: 0.020653864421326558
Energy: 0.019624168889625846
Energy: 0.020653864421326558
Energy: 2.3352102494174676
Energy: 0.020653864421326558
Energy: 0.01981552496522848
Energy: 1.4254798013702146
Energy: 0.019815524965780096
Energy: 1.4254798013702146
Energy: 0.01981552496522848
Energy: 1.4254798013702146

minimum gb energy = 0.019624168889625846 eV
minimum distance =  2.67929307181932 Angstroms
sigma value = 1