Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860195450484753
cohesive_energy=4.280338475299679
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01321617871769133
Energy: 0.013652513472523671
Energy: 3.0093045487905656
Energy: 0.013652513472523671
Energy: 0.013652513472523671
Energy: 0.013804140512554903
Energy: 0.44052557104820084
Energy: 0.013804140512554903
Energy: 3.0093045487905656
Energy: 0.44052557104820084
Energy: 0.4404717311766601
Energy: 0.44052557104820084
Energy: 0.013652513472523671
Energy: 0.013804140512554903
Energy: 0.44052557104820084
Energy: 0.013804140512554903

minimum gb energy = 0.01321617871769133 eV
minimum distance =  2.47403300035242 Angstroms
sigma value = 1


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

Energy: 1.5270843985155669
Energy: 1.725530892675593
Energy: 2.5410239828291568
Energy: 1.7255308926743778
Energy: 1.6996578468755994
Energy: 1.363000051839993
Energy: 1.1342124262921836
Energy: 1.3630000518302718
Energy: 1.7593615076940738
Energy: 1.0103826014240318
Energy: 0.9963666464025106
Energy: 1.010382601425247
Energy: 1.5470983548520052
Energy: 1.391490629408534
Energy: 1.0156868575083748
Energy: 1.391490629408534
Energy: 1.5076076620860996
Energy: 1.420935893477647
Energy: 1.3943764475228984
Energy: 1.420935893477647
Energy: 1.709995295703837
Energy: 1.2912241023991116
Energy: 1.0393612825776841
Energy: 1.2912241023991116
Energy: 1.2389067143625236
Energy: 1.3962085497416508
Energy: 1.0518723001303043
Energy: 1.3962085497416508
Energy: 1.1384817970689367
Energy: 1.230976317529425
Energy: 1.4377558856431125
Energy: 1.230976317529425
Energy: 1.2769893214572237
Energy: 1.4705237034716765
Energy: 1.5404892738321754
Energy: 1.4705237034716765
Energy: 1.6551093161962558
Energy: 1.5119817901103936
Energy: 1.2866086772467764
Energy: 1.5119817901103936
Energy: 1.0544691083228044
Energy: 1.490548306950201
Energy: 1.501224146427969
Energy: 1.490548306950201
Energy: 0.9995712144839508
Energy: 0.9901261774022753
Energy: 2.0639115973797715
Energy: 0.9901261774010602
Energy: 1.2119449007491134
Energy: 1.487942314868467
Energy: 1.5254888095474666
Energy: 1.487942314869682
Energy: 0.9975568823114813
Energy: 1.4557843787219658
Energy: 1.5096495502039486
Energy: 1.4557843787219658
Energy: 1.0161532442320835
Energy: 1.3403374277260551
Energy: 1.7303486846902607
Energy: 1.3403374277248403
Energy: 1.016128712131307
Energy: 1.34039939192371
Energy: 1.7119943455166977
Energy: 1.3403993919212798
Energy: 0.9972566527265296
Energy: 1.453690282372233
Energy: 1.5256003971398622
Energy: 1.453690282372233
Energy: 1.336709614103177
Energy: 1.4888364319376035
Energy: 1.6082122551930547
Energy: 1.4888364319254521
Energy: 0.9985798290444995
Energy: 0.9879829592462616
Energy: 1.7705280892708306
Energy: 0.9879829592462616
Energy: 1.0012075627518988
Energy: 1.4861019502496606
Energy: 1.2882096627825133
Energy: 1.4861019502508757
Energy: 1.7854594906537131
Energy: 1.3799443009271
Energy: 1.3022962726614067
Energy: 1.3799443009258847
Energy: 1.2863170022484758
Energy: 1.3006371065448739
Energy: 1.5407441489265556
Energy: 1.300637106546089
Energy: 1.161608850781682
Energy: 1.1934660055602389
Energy: 1.253463542135964
Energy: 1.1934660055614543
Energy: 1.414382847888801
Energy: 1.381060730589153
Energy: 1.0487018810739808
Energy: 1.381060730589153
Energy: 1.5987315119181114
Energy: 1.2911868331775722
Energy: 1.0342183737100208
Energy: 1.291186833175142
Energy: 1.530993775642701
Energy: 1.4310842160706507
Energy: 1.4690705410620222
Energy: 1.4310842160888777
Energy: 1.523954304767947
Energy: 1.4425272274212535
Energy: 1.0136015424978542
Energy: 1.4425272274188234
Energy: 1.8077129512406742
Energy: 1.0075902152132354
Energy: 0.9968125865979556
Energy: 1.0075902152132354
Energy: 1.8261353230224269
Energy: 1.3563177326682676
Energy: 1.134313462672991
Energy: 1.3563177326670521
Energy: 1.5119928789562789
Energy: 1.5847780092431534
Energy: 1.0288151078919778
Energy: 1.5847780092431534
Energy: 1.7526327921058322
Energy: 1.3648360053092077
Energy: 1.1337426303495675
Energy: 1.3648360053092077
Energy: 1.6121906264283952
Energy: 1.2536408521892675
Energy: 0.9972626960043933
Energy: 1.2536408521892675
Energy: 1.5078666326337322
Energy: 1.416035210694291
Energy: 1.0175321670970234
Energy: 1.4160352106967213

minimum gb energy = 0.9879829592462616 eV
minimum distance =  2.26663942718732 Angstroms
sigma value = 1


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

Energy: 1.6290657239474553
Energy: 1.588817335805653
Energy: 2.598917525531668
Energy: 1.588817335813966
Energy: 1.8361483993191894
Energy: 1.567463268784747
Energy: 1.0938075032119732
Energy: 1.567463268784747
Energy: 1.4792673868516368
Energy: 1.070051147300052
Energy: 1.0956131008893186
Energy: 1.070051147300052
Energy: 1.1525511531482646
Energy: 1.355650561092821
Energy: 1.091591243179417
Energy: 1.355650561092821
Energy: 1.1529175869397603
Energy: 1.346619668288427
Energy: 1.5335236520200766
Energy: 1.346619668288427
Energy: 1.624953184976987
Energy: 1.0319076303055408
Energy: 1.0294322852920108
Energy: 1.0319076303069263
Energy: 1.029749461735976
Energy: 1.503681366371024
Energy: 1.029324099688663
Energy: 1.5036813663696382
Energy: 1.0282009834432198
Energy: 1.0324054389414778
Energy: 1.5901724550078362
Energy: 1.0324054389414778
Energy: 1.1837873679778372
Energy: 1.3205531554235654
Energy: 1.4806427400813755
Energy: 1.3205531554221799
Energy: 1.7351924406390404
Energy: 1.014741274863802
Energy: 1.0147792832988367
Energy: 1.0147412748624167
Energy: 1.1850092230131108
Energy: 1.4423180854539985
Energy: 1.4809874763386517
Energy: 1.4423180854539985
Energy: 1.0713202401599664
Energy: 1.2022188545877923
Energy: 1.8903059774831514
Energy: 1.2022188545891779
Energy: 1.0917290380693112
Energy: 1.5797543139483072
Energy: 1.6325056626114034
Energy: 1.5797543139469217
Energy: 1.0917290380706968
Energy: 1.5479202253350555
Energy: 1.6324707406331478
Energy: 1.5479202253350555
Energy: 1.071176399617939
Energy: 1.202154261615171
Energy: 1.8902059099231454
Energy: 1.202154261615171
Energy: 1.1849637498644645
Energy: 1.4422829310538146
Energy: 1.4809171931817018
Energy: 1.4422829310538146
Energy: 1.735192440640426
Energy: 1.0149157522879935
Energy: 1.0147788427301803
Energy: 1.014915752286608
Energy: 1.1838096729434928
Energy: 1.312240145235304
Energy: 1.480699714016126
Energy: 1.312240145235304
Energy: 1.0282596818474112
Energy: 1.0317371803165265
Energy: 1.5901724550078362
Energy: 1.031737180315141
Energy: 1.0301335169847965
Energy: 1.5036602756561466
Energy: 1.029519904477617
Energy: 1.5036602756561466
Energy: 1.624886417154545
Energy: 1.0313654722464456
Energy: 1.029401300427181
Energy: 1.0313654722450603
Energy: 1.1531053873073305
Energy: 1.3466774804548796
Energy: 1.5335236520200766
Energy: 1.3466774804548796
Energy: 1.152557063290785
Energy: 1.3557614510155644
Energy: 1.0915912431821881
Energy: 1.3557614510169498
Energy: 1.4799306552446645
Energy: 1.0696803809935853
Energy: 1.0956849529090391
Energy: 1.0696803809949391
Energy: 1.836024955700923
Energy: 1.5675570019859555
Energy: 1.0938075032105876
Energy: 1.5675570019845704
Energy: 1.6290657239488406
Energy: 1.588817335811195
Energy: 2.5989175255330537
Energy: 1.588817335811195
Energy: 1.8361483993191894
Energy: 1.567463268784747
Energy: 1.0938075032105876
Energy: 1.567463268784747
Energy: 1.4792673868516368
Energy: 1.070051147300052
Energy: 1.0956131008879333
Energy: 1.070051147300052
Energy: 1.1525511531468793
Energy: 1.355650561092821
Energy: 1.0915912431766461
Energy: 1.355650561092821

minimum gb energy = 1.0147412748624167 eV
minimum distance =  2.27783324143645 Angstroms
sigma value = 25


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

Energy: 1.4498930908756067
Energy: 1.7613693351700348
Energy: 2.547581713034563
Energy: 1.7613693351700348
Energy: 1.7676232745480802
Energy: 1.3184647108985466
Energy: 1.1723327541286352
Energy: 1.3184647108985466
Energy: 1.6091127473212674
Energy: 1.086060937301732
Energy: 1.1095358447964665
Energy: 1.086060937301732
Energy: 1.4597938186499582
Energy: 1.3878569537344996
Energy: 1.2100536808672924
Energy: 1.3878569537344996
Energy: 1.531599432998186
Energy: 1.3876454149815147
Energy: 1.5362518357053263
Energy: 1.3876454149815147
Energy: 1.753107956535932
Energy: 1.083788407142061
Energy: 1.1810807901750318
Energy: 1.083788407142061
Energy: 1.1071494531715842
Energy: 1.3527209123963277
Energy: 1.1811526064096727
Energy: 1.3527209123963277
Energy: 1.0970074029574934
Energy: 1.1046310126176366
Energy: 1.9953146597764146
Energy: 1.1046310126176366
Energy: 1.193141473061791
Energy: 1.5154693820639125
Energy: 1.4812195979791838
Energy: 1.5154693820655234
Energy: 1.1056995472703408
Energy: 1.421188938620494
Energy: 1.4372376896084247
Energy: 1.421188938620494
Energy: 1.1431857720214575
Energy: 1.5147458741130395
Energy: 1.8014490629396147
Energy: 1.514745874111429
Energy: 1.2473094186107603
Energy: 1.2386982039303944
Energy: 1.7668752409963764
Energy: 1.2386982039287837
Energy: 1.1073872652653605
Energy: 1.4200665821807785
Energy: 1.5237134985577492
Energy: 1.4200665821807785
Energy: 1.1949071368930373
Energy: 1.4435238070952794
Energy: 1.4823617391651098
Energy: 1.4435238070936687
Energy: 1.1122234449438022
Energy: 1.105858638095569
Energy: 1.9917580578317822
Energy: 1.105858638095569
Energy: 1.1279542062963064
Energy: 1.3990513095798627
Energy: 1.18105471623509
Energy: 1.3990513095798627
Energy: 1.9975627151942477
Energy: 1.0771333054957692
Energy: 1.181680654952117
Energy: 1.0771333054957692
Energy: 1.4322484560764825
Energy: 1.362355278105944
Energy: 1.5461109122022703
Energy: 1.362355278105944
Energy: 1.4716210122448738
Energy: 1.4326087666830276
Energy: 1.2096843670900541
Energy: 1.4326087666814171
Energy: 1.504688202549567
Energy: 1.232277615676274
Energy: 1.1111180037106378
Energy: 1.232277615676274
Energy: 1.871982735986352
Energy: 1.3234716508703073
Energy: 1.0919257641569609
Energy: 1.3234716508686968
Energy: 1.5391924677740692
Energy: 1.773692107024391
Energy: 1.1632060114638565
Energy: 1.773692107024391
Energy: 1.7670684396882874
Energy: 1.5743218197337272
Energy: 1.31049135079131
Energy: 1.5743218197337272
Energy: 1.8535543161676757
Energy: 1.0863403349360585
Energy: 1.1105687381120546
Energy: 1.0863403349360585
Energy: 1.457592831077034
Energy: 1.4042852306890345
Energy: 1.1106584170866742
Energy: 1.4042852306890345

minimum gb energy = 1.0771333054957692 eV
minimum distance =  2.21964600885863 Angstroms
sigma value = 9


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

Energy: 1.0813058176407337
Energy: 1.0801370529597039
Energy: 2.6618525413001635
Energy: 1.0801370529610357
Energy: 1.3119316728489403
Energy: 1.3456553978865389
Energy: 1.1828753801382552
Energy: 1.3456553978871282
Energy: 1.1721016487100275
Energy: 1.1917599067920353
Energy: 1.216167875450846
Energy: 1.1917599067927993
Energy: 1.1720475867062077
Energy: 1.1446375872768875
Energy: 1.182687643495124
Energy: 1.144637587276298
Energy: 1.1718617233269888
Energy: 1.1724776762161477
Energy: 1.172703162205923
Energy: 1.1724776762161477
Energy: 1.8978601854669572
Energy: 1.1444173945906466
Energy: 1.1720778419021882
Energy: 1.1444173945908214
Energy: 1.2165156472125382
Energy: 1.1760462702852919
Energy: 1.1719894176396524
Energy: 1.1760462702854884
Energy: 1.1899265108912271
Energy: 1.176817743572133
Energy: 1.8735984046570897
Energy: 1.176817743572133
Energy: 1.3293995684301068
Energy: 1.3448847682685767
Energy: 1.1398298036657135
Energy: 1.344884768268948
Energy: 1.3293647441646907
Energy: 1.0797484360235978
Energy: 1.2980732190302922
Energy: 1.0797484360232048
Energy: 1.1827301455589523
Energy: 1.3447114421871635
Energy: 1.7205960195694823
Energy: 1.344711442186967
Energy: 1.2146913101882117
Energy: 1.313718564288945
Energy: 1.1719430723258686
Energy: 1.3137185642891198
Energy: 1.8920387256391644
Energy: 1.1466354384062771
Energy: 1.1470995756822597
Energy: 1.146635438407238
Energy: 1.172143642720291
Energy: 1.5988885133275492
Energy: 1.1720922591388219
Energy: 1.5988885133273525
Energy: 1.1469312781262542
Energy: 1.1468041618287752
Energy: 1.8920387253380437
Energy: 1.1468041618289715
Energy: 1.1719701121527313
Energy: 1.3137810651405162
Energy: 1.214611040697069
Energy: 1.3137810651413022
Energy: 1.72047432494043
Energy: 1.344758645727241
Energy: 1.1825574791234252
Energy: 1.3447586457270664
Energy: 1.2980022195638328
Energy: 1.0799149106687438
Energy: 1.3293647441622019
Energy: 1.0799149106687438
Energy: 1.1399894024036643
Energy: 1.3448835699358117
Energy: 1.3293995684312638
Energy: 1.3448835699358117
Energy: 1.8735700516577634
Energy: 1.1767242247929008
Energy: 1.190027057623993
Energy: 1.1767242247934904
Energy: 1.1719850978741393
Energy: 1.1762543956762173
Energy: 1.2072405238756871
Energy: 1.1762543956754532

minimum gb energy = 1.0797484360232048 eV
minimum distance =  2.32752640121043 Angstroms
sigma value = 25


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

Energy: 1.4820853932741422
Energy: 1.7335860681585888
Energy: 2.5051191404216575
Energy: 1.73358606815813
Energy: 1.768817919604649
Energy: 1.4236431183670857
Energy: 1.2412642077130327
Energy: 1.423643118367815
Energy: 1.5607851726392037
Energy: 1.191166168915248
Energy: 1.2597887153593599
Energy: 1.1911661689140598
Energy: 1.2238254597036746
Energy: 1.2450918642871676
Energy: 1.2357258748413233
Energy: 1.2450918642881128
Energy: 1.2996959153771248
Energy: 1.3850349273591918
Energy: 1.6615145067577213
Energy: 1.3850349273596778
Energy: 1.6849090080036933
Energy: 1.2061564263518
Energy: 1.2057237247465278
Energy: 1.2061564263508553
Energy: 1.2736147141353795
Energy: 1.5125513188173605
Energy: 1.2063800678362435
Energy: 1.5125513188173605
Energy: 1.4040916943491142
Energy: 1.4989177460116045
Energy: 1.6606899870785101
Energy: 1.4989177460109024
Energy: 1.2739823700050998
Energy: 1.2056417108681028
Energy: 1.206167127732021
Energy: 1.2056417108681028
Energy: 1.4288916452229712
Energy: 1.4674279933767391
Energy: 1.20565318297752
Energy: 1.4674279933776841
Energy: 1.246574346204383
Energy: 1.2452305659764478
Energy: 1.6313532006450764
Energy: 1.2452305659752598
Energy: 1.245404001337581
Energy: 1.4540146177955298
Energy: 1.2187978224122376
Energy: 1.4540146177948274
Energy: 1.5383529732249324
Energy: 1.236376464770675
Energy: 1.239195033739275
Energy: 1.236376464770675
Energy: 1.6241083295672754
Energy: 1.6443579180536358
Energy: 1.4084095776534702
Energy: 1.6443579180538792
Energy: 1.727248391944922
Energy: 1.7211881371135824
Energy: 1.4080183121552772
Energy: 1.7211881371145274
Energy: 1.7687818328024885
Energy: 1.2056535231681718
Energy: 1.234968163268066
Energy: 1.2056535231693597
Energy: 1.3085819770195641
Energy: 1.6326484958880885
Energy: 1.2188187424752177
Energy: 1.6326484958885743

minimum gb energy = 1.1911661689140598 eV
minimum distance =  2.28457762641656 Angstroms
sigma value = 17


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

Energy: 1.592139318431496
Energy: 1.6009917341761573
Energy: 2.4403274401814574
Energy: 1.6009917341761573
Energy: 1.7582799862245848
Energy: 1.424217285183732
Energy: 1.3102390554104764
Energy: 1.4242172851850774
Energy: 1.5056045993093037
Energy: 1.3367919733694285
Energy: 1.268368538690391
Energy: 1.3367919733680826
Energy: 1.2586144014098632
Energy: 1.209034267752464
Energy: 1.2896402729503416
Energy: 1.2090342677538097
Energy: 1.3046920268233182
Energy: 1.4546477588401556
Energy: 1.5993446601747154
Energy: 1.4546477588401556
Energy: 1.5367432046147786
Energy: 1.6555714715614926
Energy: 1.3314076587937818
Energy: 1.6555714715601473
Energy: 1.3542516033887786
Energy: 1.4499561642150307
Energy: 1.6184424181239003
Energy: 1.449956164213685
Energy: 1.2748955736843814
Energy: 1.4709567043472935
Energy: 1.5619174925118642
Energy: 1.4709567043459784
Energy: 1.2669534666000075
Energy: 1.38254526157059
Energy: 1.2610840892081867
Energy: 1.38254526157059
Energy: 1.5948803494513224
Energy: 1.4043133370431955
Energy: 1.427108462381238
Energy: 1.404313337044541
Energy: 1.283706207189744
Energy: 1.3566448707697225
Energy: 1.4916736266283968
Energy: 1.3566448707697225
Energy: 1.2829489760631103
Energy: 1.5021517646174078
Energy: 1.3159751386233445
Energy: 1.502151764616062
Energy: 1.5794135431055292
Energy: 1.3293458748589333
Energy: 1.3412181493550233
Energy: 1.329345874860279
Energy: 1.2775792929367202
Energy: 1.3222732480607662
Energy: 1.3384717778291895
Energy: 1.3222732480607662
Energy: 1.2788693093554484
Energy: 1.5526727073845428
Energy: 1.608120963379722
Energy: 1.5526727073845428
Energy: 1.5211597893951327
Energy: 1.3682720160675235
Energy: 1.2610126287833052
Energy: 1.3682720160675235
Energy: 1.2765829472009051
Energy: 1.5413474154398363
Energy: 1.2890320798904749
Energy: 1.5413474154398363
Energy: 1.308371584477325
Energy: 1.4204660342354445
Energy: 1.7479293749661282
Energy: 1.4204660342354445
Energy: 1.3383734780353747
Energy: 1.6567488195167264
Energy: 1.5996909045246783
Energy: 1.6567488195167264
Energy: 1.5906440334447585
Energy: 1.5667181701263315
Energy: 1.5353867649751003
Energy: 1.5667181701263315
Energy: 1.2311323789634978
Energy: 1.3082084801808256
Energy: 1.6317629248392855
Energy: 1.3082084801808256
Energy: 1.2610724796420256
Energy: 1.497836260742207
Energy: 1.2624226122119424
Energy: 1.497836260742207
Energy: 1.517211323392599
Energy: 1.315447670049048
Energy: 1.262825363749659
Energy: 1.315447670049048
Energy: 1.577075761889792
Energy: 1.3948491165108503
Energy: 1.5376507062929605
Energy: 1.3948491165108503
Energy: 1.5759884102434571
Energy: 1.496499479597384
Energy: 1.538067942511776
Energy: 1.496499479597384
Energy: 1.6429830925589568
Energy: 1.2740091169318393
Energy: 1.2733965992683483
Energy: 1.2740091169331849
Energy: 1.244632938513954
Energy: 1.4990204965350042
Energy: 1.2546309000920723
Energy: 1.4990204965350042
Energy: 1.231262372382642
Energy: 1.2479520873844763
Energy: 1.576355898572173
Energy: 1.24795208738047
Energy: 1.5379767831988498
Energy: 1.541233081452738
Energy: 1.5598679761288974
Energy: 1.5412330814540838
Energy: 1.316127956064579
Energy: 1.6411324248271457
Energy: 1.332853283461245
Energy: 1.6411324248271457

minimum gb energy = 1.209034267752464 eV
minimum distance =  2.22446509244763 Angstroms
sigma value = 53


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

Energy: 1.19069765698731
Energy: 1.2787463709261429
Energy: 2.551153303567915
Energy: 1.278746370924911
Energy: 1.2793322407506276
Energy: 1.3922995604477517
Energy: 1.2600972512683242
Energy: 1.3922995604474349
Energy: 1.691292797183561
Energy: 1.4825749041457241
Energy: 1.2770971806031064
Energy: 1.4825749041457241
Energy: 1.277084419078056
Energy: 1.4828044864303636
Energy: 1.6912455457731366
Energy: 1.4828044864306804
Energy: 1.2599583738525157
Energy: 1.3923213937446977
Energy: 1.279299852913709
Energy: 1.392321393744064
Energy: 2.5511533035642184
Energy: 1.278746370924594
Energy: 1.19069765698731
Energy: 1.278746370924911
Energy: 1.2600972512686408
Energy: 1.3922995604483854
Energy: 1.279332240750311
Energy: 1.3922995604480686
Energy: 1.2770971806033882
Energy: 1.482574904146041
Energy: 1.6912927971838778
Energy: 1.4825749041463578
Energy: 1.6912455457737703
Energy: 1.4828044864300818
Energy: 1.2770844190786894
Energy: 1.4828044864306804
Energy: 1.279299852913709
Energy: 1.392321393744064
Energy: 1.2599583738512836
Energy: 1.392321393743747
Energy: 1.1906976569876266
Energy: 1.2787463709251925
Energy: 2.5511533035645004
Energy: 1.278746370924594
Energy: 1.2793322407506276
Energy: 1.3922995604474349
Energy: 1.2600972512680073
Energy: 1.3922995604477517
Energy: 1.6912927971838778
Energy: 1.4825749041457241
Energy: 1.2770971806033882
Energy: 1.4825749041457241

minimum gb energy = 1.19069765698731 eV
minimum distance =  2.33467210461051 Angstroms
sigma value = 9


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

Energy: 1.457327191771683
Energy: 1.6279386721687643
Energy: 2.3693494364089442
Energy: 1.6279386721687643
Energy: 1.7804621468720812
Energy: 1.6292354759262655
Energy: 1.4943531084855914
Energy: 1.6292354759274124
Energy: 1.379469151796883
Energy: 1.3823373458314165
Energy: 1.3381119930233698
Energy: 1.38233734583027
Energy: 1.358945752434356
Energy: 1.4040980394158706
Energy: 1.4453637852709407
Energy: 1.4040980394158706
Energy: 1.4409308727798409
Energy: 1.5616831257938315
Energy: 1.6814915822603862
Energy: 1.5616831257926846
Energy: 1.8403469348776154
Energy: 1.512501479744428
Energy: 1.4547686022350992
Energy: 1.512501479744428
Energy: 1.4570611974935541
Energy: 1.5441414020056827
Energy: 1.778102759514318
Energy: 1.5441414020056827
Energy: 1.3328506331045082
Energy: 1.4309490645404472
Energy: 1.3886195608277399
Energy: 1.4309490645404472
Energy: 1.42474966967683
Energy: 1.4882601084835503
Energy: 1.3671319756732292
Energy: 1.4882601084835503
Energy: 1.4390764183540035
Energy: 1.5284145395898878
Energy: 1.422797665012154
Energy: 1.5284145395910342
Energy: 1.3519047402927808
Energy: 1.5138230629300193
Energy: 1.8087962298579934
Energy: 1.5138230629300193
Energy: 1.7682935364787946
Energy: 1.5275958049470586
Energy: 1.3960532253426852
Energy: 1.527595804944765
Energy: 1.403380388395601
Energy: 1.3980711030522635
Energy: 1.311079406745447
Energy: 1.3980711030511168
Energy: 1.43185205673307
Energy: 1.5071984755192278
Energy: 1.4525415411448332
Energy: 1.5071984755180814
Energy: 1.3959238733047388
Energy: 1.5168229242968203
Energy: 1.3824581369799125
Energy: 1.516822924295674
Energy: 1.7418661461753278
Energy: 1.39830788368373
Energy: 1.3521562018145348
Energy: 1.39830788368373
Energy: 1.455016229495615
Energy: 1.5303309055453063
Energy: 1.739915266860051
Energy: 1.5303309055441594
Energy: 1.3494458433543681
Energy: 1.5229111913191298
Energy: 1.407880260813879
Energy: 1.5229111913191298
Energy: 1.7930635031500453
Energy: 1.5498505908156532
Energy: 1.499929710493029
Energy: 1.5498505908145068
Energy: 1.3926957367903356
Energy: 1.5317365450790565
Energy: 1.3631738743117083
Energy: 1.531736545080203
Energy: 1.3657654724374908
Energy: 1.4117104186624114
Energy: 1.7450258504360576
Energy: 1.4117104186601181
Energy: 1.522332665120652
Energy: 1.551165752571938
Energy: 1.4463982015780086
Energy: 1.551165752571938
Energy: 1.4630602534399972
Energy: 1.527061532089852
Energy: 1.49077736972457
Energy: 1.5270615320909988
Energy: 1.414107081797344
Energy: 1.4904914964640368
Energy: 1.823256695350578
Energy: 1.4904914964628901
Energy: 1.362962755722898
Energy: 1.5112649720775349
Energy: 1.342788605313898
Energy: 1.5112649720775349
Energy: 1.5776275655269254
Energy: 1.443814333012196
Energy: 1.3496234602079216
Energy: 1.443814333012196
Energy: 1.7422830146241988
Energy: 1.5576044152286157
Energy: 1.5866479744625317
Energy: 1.557604415230909
Energy: 1.5516003790965014
Energy: 1.587073665900302
Energy: 1.541360775869731
Energy: 1.587073665900302
Energy: 1.7480016631533362
Energy: 1.4452112551292908
Energy: 1.3520206491142956
Energy: 1.445211255131584
Energy: 1.3591720554538214
Energy: 1.5398228886256222
Energy: 1.3383275470742144
Energy: 1.5398228886256222
Energy: 1.4099089011045989
Energy: 1.4907562934006797
Energy: 1.9174471008079037
Energy: 1.4907562934006797
Energy: 1.4614133041717583
Energy: 1.4835769989136538
Energy: 1.4606705489318241
Energy: 1.4835769989125074
Energy: 1.7588151201530964
Energy: 1.5578020036099613
Energy: 1.4436971470018436
Energy: 1.5578020036099613
Energy: 1.3819190588045027
Energy: 1.4120380251926148
Energy: 1.7466261154244045
Energy: 1.4120380251926148
Energy: 1.3784606268372535
Energy: 1.5325405874185127
Energy: 1.3625081442359053
Energy: 1.532540587417366

minimum gb energy = 1.311079406745447 eV
minimum distance =  2.25262944099912 Angstroms
sigma value = 73


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

Energy: 1.5256978843540212
Energy: 1.4634371737707872
Energy: 2.4775067828488555
Energy: 1.4634371737716967
Energy: 1.4486351900738075
Energy: 1.5736556068964778
Energy: 1.4865023770280599
Energy: 1.5736556068957543
Energy: 1.3861400294899755
Energy: 1.4595960375497465
Energy: 1.3637826202981083
Energy: 1.4595960375497465
Energy: 1.3628269703785512
Energy: 1.5024611808346438
Energy: 1.4477747058456352
Energy: 1.5024611808344575
Energy: 1.5098330971612912
Energy: 1.5123418213265152
Energy: 1.4755788198857782
Energy: 1.5123418213265152
Energy: 1.9533006959419015
Energy: 1.488588312574898
Energy: 1.2997270254949704
Energy: 1.4885883125745258
Energy: 1.3996656025399434
Energy: 1.6238941776270688
Energy: 1.5423551380430085
Energy: 1.6238941776270688
Energy: 1.3082063318179113
Energy: 1.395770655550822
Energy: 1.4852850008671108
Energy: 1.3957706555499123
Energy: 1.5808549962167917
Energy: 1.5600708466376536
Energy: 1.5200607135294337
Energy: 1.5600708466369302
Energy: 1.3824527343273305
Energy: 1.5682894025437397
Energy: 1.4544146292392957
Energy: 1.5682894025435534
Energy: 1.3037926661702335
Energy: 1.395431022346123
Energy: 1.8667808210832293
Energy: 1.395431022346309
Energy: 1.6427708714457585
Energy: 1.5286821609302546
Energy: 1.4693381534420307
Energy: 1.5286821609302546
Energy: 1.448417960526848
Energy: 1.5344068713415344
Energy: 1.3722033065907808
Energy: 1.5344068713413483
Energy: 1.432832089305954
Energy: 1.6259155664446383
Energy: 1.9018326699127126
Energy: 1.6259155664451759
Energy: 1.3579051414535237
Energy: 1.538063910109828
Energy: 1.4098833978581204
Energy: 1.5380639101094764
Energy: 1.6426957568501843
Energy: 1.490254839160005
Energy: 1.4149880212770207
Energy: 1.490254839160005
Energy: 1.4770344876871486
Energy: 1.5300941115208457
Energy: 1.6481338071671592
Energy: 1.5300941115210112
Energy: 1.5323135140011739
Energy: 1.4948810722710089
Energy: 1.6498150195418406
Energy: 1.4948810722706367
Energy: 1.7555473105681396
Energy: 1.4901902457426397
Energy: 1.4486527496188133
Energy: 1.4901902457426397
Energy: 1.361619486417868
Energy: 1.530324338184636
Energy: 1.3603150100995685
Energy: 1.5303243381848222
Energy: 1.3751823314221419
Energy: 1.3737297376095432
Energy: 1.9053206257136142
Energy: 1.3737297376084476
Energy: 1.4479467613335766
Energy: 1.5313525713767109
Energy: 1.3721492873633292
Energy: 1.5313525713767109

minimum gb energy = 1.2997270254949704 eV
minimum distance =  2.22596533232411 Angstroms
sigma value = 7


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

Energy: 1.6171477309538065
Energy: 1.508875774157035
Energy: 2.406175985691994
Energy: 1.508875774157035
Energy: 1.5190919002565375
Energy: 1.451160536501254
Energy: 1.4338858128560303
Energy: 1.4511605365025404
Energy: 1.4047411536815815
Energy: 1.460802699291397
Energy: 1.330638803976037
Energy: 1.4608026992901104
Energy: 1.4073408377169099
Energy: 1.524105465861117
Energy: 1.4410746526733673
Energy: 1.524105465861117
Energy: 1.4304711028968464
Energy: 1.5872674010519947
Energy: 1.3764766671634456
Energy: 1.5872674010519947
Energy: 1.9120731854705184
Energy: 1.3998111527816945
Energy: 1.2963074955949967
Energy: 1.3998111527816945
Energy: 1.3601504657707753
Energy: 1.4814120643601976
Energy: 1.6291203822704465
Energy: 1.4814120643601976
Energy: 1.2963725516343547
Energy: 1.3879067245427896
Energy: 1.4265197842136004
Energy: 1.3879067245427896
Energy: 1.7788786451387952
Energy: 1.4180481653715953
Energy: 1.4201855076386498
Energy: 1.4180481653754546
Energy: 1.3832092297572551
Energy: 1.5326419653341101
Energy: 1.4022209833891492
Energy: 1.5326419653341101
Energy: 1.3396261159874743
Energy: 1.3791636202124424
Energy: 1.6265352757024472
Energy: 1.3791636202188744
Energy: 1.6514509181295685
Energy: 1.5512168779030895
Energy: 1.504748751440036
Energy: 1.5512168779030895
Energy: 1.682937055549664
Energy: 1.5581196265620487
Energy: 1.5330412744852802
Energy: 1.5581196265620487
Energy: 1.4710345296691905
Energy: 1.3865602386837705
Energy: 1.9299286016973651
Energy: 1.3865602386914888
Energy: 1.340984580650996
Energy: 1.489530867822661
Energy: 1.3999607167255417
Energy: 1.4895308678213746
Energy: 1.8420623509608913
Energy: 1.6274612511281539
Energy: 1.4164884189966955
Energy: 1.6274612511281539
Energy: 1.3882185127158868
Energy: 1.444193069462306
Energy: 1.4263949977970451
Energy: 1.444193069463592
Energy: 1.3870788163754533
Energy: 1.5959576735502212
Energy: 1.63053042095064
Energy: 1.5959576735489347
Energy: 1.9223143991698868
Energy: 1.2967163050157662
Energy: 1.3882924126266576
Energy: 1.2967163050157662
Energy: 1.4238029695638608
Energy: 1.587236507270906
Energy: 1.3876070511176155
Energy: 1.587236507270906
Energy: 1.3963775298854195
Energy: 1.3937405707886212
Energy: 1.5252878432069776
Energy: 1.3937405707899075
Energy: 1.5671036825144766
Energy: 1.4605443391752748
Energy: 1.3380152389268747
Energy: 1.4605443391752748
Energy: 1.5168513564150823
Energy: 1.5383461325599093
Energy: 1.4305483265052525
Energy: 1.538346132558623
Energy: 1.625619343522553
Energy: 1.5989033823315826
Energy: 1.6776932903706996
Energy: 1.598903382330296
Energy: 1.5158883240381338
Energy: 1.5534414487183519
Energy: 1.441830138294279
Energy: 1.5534414487196384
Energy: 1.5276877907213893
Energy: 1.4607583094144947
Energy: 1.3381885331429784
Energy: 1.4607583094132082
Energy: 1.455979572308587
Energy: 1.5247959280623329
Energy: 1.457440964504927
Energy: 1.5247959280623329
Energy: 1.4344760725819157
Energy: 1.5860797382844338
Energy: 1.6906772706562567
Energy: 1.5860797382844338
Energy: 1.53465654775545
Energy: 1.3868599963295147
Energy: 1.2847259173127783
Energy: 1.386859996330801
Energy: 1.617063538412533
Energy: 1.4789784180951588
Energy: 1.6175535875873512
Energy: 1.4789784180951588
Energy: 1.284724111600864
Energy: 1.3869084578374202
Energy: 1.5346565477567362
Energy: 1.3869084578374202

minimum gb energy = 1.284724111600864 eV
minimum distance =  2.27304195076797 Angstroms
sigma value = 29


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

Energy: 1.1894983369061047
Energy: 1.55886750646849
Energy: 2.4383192995788336
Energy: 1.5588675064689383
Energy: 1.6731299090005842
Energy: 1.2648750411008511
Energy: 1.262008283271365
Energy: 1.2648750411017227
Energy: 1.4842975604464115
Energy: 1.215255662320012
Energy: 1.215520254739908
Energy: 1.215255662320012
Energy: 1.585601993840892
Energy: 1.4392466878672276
Energy: 1.2613299668645612
Energy: 1.4392466878672276
Energy: 1.5858069055926032
Energy: 1.4049596366251385
Energy: 1.2189882401453522
Energy: 1.4049596366247152
Energy: 1.484385800572926
Energy: 1.215139886001507
Energy: 1.2204807770031245
Energy: 1.2151398860010587
Energy: 1.5688548024272344
Energy: 1.2139175325097467
Energy: 1.8905302163569624
Energy: 1.2139175325110658
Energy: 1.1780146427833633
Energy: 1.4104777546357647
Energy: 1.8915785601188264
Energy: 1.4104777546357647
Energy: 1.6720524225602824
Energy: 1.260950795718511
Energy: 1.3652761915090337
Energy: 1.2609507957171917

minimum gb energy = 1.1780146427833633 eV
minimum distance =  2.35905969298244 Angstroms
sigma value = 5


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

Energy: 1.541382558764639
Energy: 1.6464429163385788
Energy: 2.0950333604086375
Energy: 1.6464429163397938
Energy: 1.7428871961076224
Energy: 1.616124054265726
Energy: 1.4585153875446557
Energy: 1.6161240542645108
Energy: 1.3788274307137522
Energy: 1.5050130414023393
Energy: 1.3825500249892038
Energy: 1.5050130414023393
Energy: 1.399330220867245
Energy: 1.4418618174995084
Energy: 1.5387286314055812
Energy: 1.4418618175007236
Energy: 1.3249478866124906
Energy: 1.4823941282311532
Energy: 1.3855168561616797
Energy: 1.4823941282323685
Energy: 1.3598405035258028
Energy: 1.4416106314957484
Energy: 1.2841542732506241
Energy: 1.4416106314969632
Energy: 1.4245563717045613
Energy: 1.4805425967493822
Energy: 1.4738432993778126
Energy: 1.4805425967493822
Energy: 1.4259737744446
Energy: 1.507731260907019
Energy: 1.6593764602190255
Energy: 1.507731260908234
Energy: 1.8486272839630902
Energy: 1.5213199649687676
Energy: 1.4273564790681743
Energy: 1.521319964971198
Energy: 1.6673885075855144
Energy: 1.522389766206045
Energy: 1.4532543693542497
Energy: 1.5223897662072603
Energy: 1.2887781906662752
Energy: 1.4292001574394078
Energy: 1.5438357520521082
Energy: 1.4292001574381927
Energy: 1.2851111491680904
Energy: 1.4512284655617687
Energy: 1.3313285547238407
Energy: 1.4512284655617687
Energy: 1.5714435919198062
Energy: 1.5467485401137406
Energy: 1.428279653599837
Energy: 1.5467485401149559
Energy: 1.3258256631894851
Energy: 1.4768287902737622
Energy: 1.3246793396655245
Energy: 1.4768287902737622
Energy: 1.3863697187956163
Energy: 1.5056142946716313
Energy: 1.7316467988877173
Energy: 1.5056142946716313
Energy: 1.8342955824297213
Energy: 1.5450241219036334
Energy: 1.5329521840774716
Energy: 1.5450241219048486
Energy: 1.6327045400496873
Energy: 1.5363446532455751
Energy: 1.6459494097982306
Energy: 1.5363446532467904
Energy: 1.414010816673895
Energy: 1.5106299255547249
Energy: 1.5626649229670864
Energy: 1.5106299255547249
Energy: 1.5095259058293897
Energy: 1.3753966793734929
Energy: 1.3927160662467377
Energy: 1.3753966793734929
Energy: 1.312408051875234
Energy: 1.487442697556226
Energy: 1.3561069325988306
Energy: 1.4874426975550112
Energy: 1.323547433754855
Energy: 1.4320376832439978
Energy: 1.3511999708834368
Energy: 1.4320376832476434
Energy: 1.4626423250714122
Energy: 1.4610918217387343
Energy: 1.409596599463673
Energy: 1.4610918217387343
Energy: 1.3769535513228903
Energy: 1.4927886639527321
Energy: 1.33189289344336
Energy: 1.4927886639527321
Energy: 1.6538450834005864
Energy: 1.5000586581590303
Energy: 1.7813762205893178
Energy: 1.5000586581590303
Energy: 1.7099294745106512
Energy: 1.5263863662661339
Energy: 2.0364365498793813
Energy: 1.5263863662673491
Energy: 1.778953826909923
Energy: 1.4915875090913628
Energy: 1.4498396265376423
Energy: 1.4915875090913628
Energy: 1.3253151039640154
Energy: 1.492063136834135
Energy: 1.3750374231564568
Energy: 1.4920631368353505
Energy: 1.3960695235232552
Energy: 1.4046195287733487
Energy: 1.5301444901215915
Energy: 1.404619528774564
Energy: 1.3095681528178094
Energy: 1.4710270841545114
Energy: 1.3429472054287444
Energy: 1.4710270841545114
Energy: 1.5722467801106133
Energy: 1.6722718476521459
Energy: 1.3514840617321213
Energy: 1.6722718476509308
Energy: 1.525966121638957
Energy: 1.5022806564611229
Energy: 1.5704349619613578
Energy: 1.5022806564611229
Energy: 1.476582915360377
Energy: 1.3721781190682105
Energy: 1.8371002196142032
Energy: 1.3721781190694258
Energy: 1.8030123259171948
Energy: 1.5546990477733182
Energy: 1.5355312408634023
Energy: 1.5546990477733182

minimum gb energy = 1.2841542732506241 eV
minimum distance =  2.24872487944409 Angstroms
sigma value = 1


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

Energy: 1.59091027838403
Energy: 1.500974620608735
Energy: 2.13539327062325
Energy: 1.500974620608735
Energy: 1.6247721486266882
Energy: 1.5985672703271072
Energy: 1.506339633411683
Energy: 1.5985672703254272
Energy: 1.5090304799729084
Energy: 1.4631925735241713
Energy: 1.5969612512821387
Energy: 1.4631925735241713
Energy: 1.3175395756601205
Energy: 1.4381859347704236
Energy: 1.4806264905798032
Energy: 1.4381859347721038
Energy: 1.2842600043942942
Energy: 1.4347815044391297
Energy: 1.3203234548760903
Energy: 1.4347815044391297
Energy: 1.2887459055013288
Energy: 1.260040521079263
Energy: 1.286484827130445
Energy: 1.260040521079263
Energy: 1.4284364647108798
Energy: 1.4342858768726883
Energy: 1.4555763851511694
Energy: 1.4342858768726883
Energy: 1.4602594054583036
Energy: 1.5614996132186205
Energy: 1.6417576526298592
Energy: 1.5614996132186205
Energy: 1.5179892750632504
Energy: 1.3691791297530207
Energy: 1.252012887909648
Energy: 1.3691791297530207
Energy: 1.5179892750632504
Energy: 1.4282337366083715
Energy: 1.2520097459504673
Energy: 1.4282337366083715
Energy: 1.4239852808238704
Energy: 1.48506264320479
Energy: 1.6417576526298592
Energy: 1.48506264320479
Energy: 1.459671783722496
Energy: 1.481821723785071
Energy: 1.4555763851528494
Energy: 1.481821723786751
Energy: 1.3143653660671317
Energy: 1.284454311263086
Energy: 1.3444019191834027
Energy: 1.2844543112647662
Energy: 1.2848922761787638
Energy: 1.414697992887619
Energy: 1.2529330536665262
Energy: 1.414697992887619
Energy: 1.7069675617665636
Energy: 1.4372632553946592
Energy: 1.5449068052233819
Energy: 1.4372632553946592
Energy: 1.5090304799745886
Energy: 1.451650674535923
Energy: 1.5969796218378856
Energy: 1.451650674535923
Energy: 1.5488778997440087
Energy: 1.5314843913696874
Energy: 1.491137282943979
Energy: 1.5314843913696874
Energy: 1.59091027838403
Energy: 1.500974620608735
Energy: 2.1353932706215697
Energy: 1.500974620608735
Energy: 1.6247721486266882
Energy: 1.5985672703254272
Energy: 1.5063396334133632
Energy: 1.5985672703254272
Energy: 1.5090304799729084
Energy: 1.4631925735241713
Energy: 1.5969612512821387
Energy: 1.4631925735241713
Energy: 1.3175395756618007
Energy: 1.4381859347721038
Energy: 1.4806264905798032
Energy: 1.4381859347721038
Energy: 1.2842600043942942
Energy: 1.4347815044391297
Energy: 1.3203234548760903
Energy: 1.4347815044391297
Energy: 1.2887459054979686
Energy: 1.260040521079263
Energy: 1.2864848271321252
Energy: 1.260040521079263
Energy: 1.4284364647108798
Energy: 1.4342858768726883
Energy: 1.4555763851511694
Energy: 1.4342858768726883

minimum gb energy = 1.2520097459504673 eV
minimum distance =  2.23102445448053 Angstroms
sigma value = 17


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

Energy: 1.7101304694134323
Energy: 1.4619527748817676
Energy: 1.974251719971503
Energy: 1.4619527748817676
Energy: 1.6886316220862798
Energy: 1.5484576060456952
Energy: 1.5030170190121221
Energy: 1.5484576060467332
Energy: 1.3658407628236233
Energy: 1.4563387567607753
Energy: 1.3874860273418994
Energy: 1.4563387567597368
Energy: 1.362173698833203
Energy: 1.4211063810119644
Energy: 1.5637958313402376
Energy: 1.421106381013003
Energy: 1.34303886822103
Energy: 1.4465563066108924
Energy: 1.2891689752601228
Energy: 1.446556306611931
Energy: 1.4533598993861214
Energy: 1.4692485441465803
Energy: 1.2818068213803415
Energy: 1.4692485441455418
Energy: 1.3132783887444712
Energy: 1.4424806754019786
Energy: 1.3286024089516932
Energy: 1.4424806754019786
Energy: 1.2951997361284653
Energy: 1.4746851737585591
Energy: 1.505896457661612
Energy: 1.4746851737575206
Energy: 1.5870790844217064
Energy: 1.5128421846465012
Energy: 1.5654332805456879
Energy: 1.5128421846475397
Energy: 1.6172467729045168
Energy: 1.5198377097238993
Energy: 1.5397528785764507
Energy: 1.519837709720784
Energy: 1.348686923287455
Energy: 1.498935141694653
Energy: 1.7841505650366938
Energy: 1.4989351416925758
Energy: 1.3462342912715484
Energy: 1.4750909283908198
Energy: 1.4918266217213392
Energy: 1.4750909283928968
Energy: 1.3035702434008911
Energy: 1.442595437409969
Energy: 1.284603890095577
Energy: 1.4425954374078922
Energy: 1.3530262638398536
Energy: 1.4516006365143608
Energy: 1.284878961253139
Energy: 1.4516006365133223
Energy: 1.3121025547972185
Energy: 1.4583872144800005
Energy: 1.3400207585942145
Energy: 1.4583872144800005
Energy: 1.3591352658196532
Energy: 1.4554593741542539
Energy: 1.3792747339212243
Energy: 1.4554593741542539
Energy: 1.6178820061593824
Energy: 1.3071697508981193
Energy: 1.4353425909518416
Energy: 1.3071697508991578
Energy: 1.5162985675707255
Energy: 1.489984056010789
Energy: 1.5243318452970167
Energy: 1.4899840560118276
Energy: 1.5603219025811041
Energy: 1.5450275656533254
Energy: 1.610086260549457
Energy: 1.5450275656554024
Energy: 1.7400031705742958
Energy: 1.5576127768551684
Energy: 1.5149514881869277
Energy: 1.5576127768551684
Energy: 1.3632825403786952
Energy: 1.5854960485767577
Energy: 1.6636079525804464
Energy: 1.5854960485767577
Energy: 1.3943996136799413
Energy: 1.4374146799802472
Energy: 1.3489841086485945
Energy: 1.4374146799802472
Energy: 1.5174846799615531
Energy: 1.5444124565578579
Energy: 1.369570653858692
Energy: 1.5444124565588964
Energy: 1.2857680909770937
Energy: 1.443445318963032
Energy: 1.3371655847350985
Energy: 1.443445318963032
Energy: 1.3283471286090023
Energy: 1.4967611904803866
Energy: 1.506205808593984
Energy: 1.4967611904803866
Energy: 1.3260384113586239
Energy: 1.4655988585191724
Energy: 1.3339611790386001
Energy: 1.4655988585181339
Energy: 1.7424022762645865
Energy: 1.4729729781571614
Energy: 1.3485856015134638
Energy: 1.4729729781581997
Energy: 1.5903612644650795
Energy: 1.5853840191547761
Energy: 1.8111539834133412
Energy: 1.5853840191547761
Energy: 1.6169041169301819
Energy: 1.451053623269828
Energy: 1.7386306519148598
Energy: 1.4510536232687892
Energy: 1.5087128936671337
Energy: 1.4659169129282592
Energy: 1.3342485155963535
Energy: 1.4659169129292975
Energy: 1.3408168487498495
Energy: 1.4543506377836404
Energy: 1.3466347032702062
Energy: 1.4543506377826019
Energy: 1.2679021098184018
Energy: 1.4606987397305582
Energy: 1.3713950166438142
Energy: 1.4606987397284812
Energy: 1.3478181312277655
Energy: 1.4512649923734493
Energy: 1.3141943656314226
Energy: 1.4512649923734493
Energy: 1.4669997570260174
Energy: 1.4426838897241339
Energy: 1.3771226195368536
Energy: 1.4426838897251724
Energy: 1.3857166063544852
Energy: 1.4521222367716056
Energy: 1.3079230364389833
Energy: 1.4521222367705675
Energy: 1.508477560330379
Energy: 1.4086115858234725
Energy: 1.6163927631153365
Energy: 1.4086115858245107
Energy: 1.8150134017729493
Energy: 1.5524248660257114
Energy: 1.490725839792481
Energy: 1.5524248660225959
Energy: 1.5406046727923586
Energy: 1.4246708092080822
Energy: 1.6558672235547482
Energy: 1.4246708092070437

minimum gb energy = 1.2679021098184018 eV
minimum distance =  2.29124392042302 Angstroms
sigma value = 89


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

Energy: 1.6125730224339465
Energy: 1.4268900656801804
Energy: 2.0045534042191764
Energy: 1.4268900656801804
Energy: 1.4206468887847825
Energy: 1.4841470194561386
Energy: 1.4677938042350982
Energy: 1.4841470194561386
Energy: 1.37410686087747
Energy: 1.3717258143767106
Energy: 1.266395565285352
Energy: 1.3717258143767106
Energy: 1.2480819209169547
Energy: 1.3916020883078564
Energy: 1.443587718779364
Energy: 1.3916020883083813
Energy: 1.3310023530829873
Energy: 1.391621442775651
Energy: 1.4044058156397479
Energy: 1.391621442776176
Energy: 1.245227719077786
Energy: 1.454419518510396
Energy: 1.4218956608963789
Energy: 1.4544195185101492
Energy: 1.2059725621360753
Energy: 1.4193540622481777
Energy: 1.3808285804378917
Energy: 1.4193540622487026
Energy: 1.2461669188054325
Energy: 1.3724340932582715
Energy: 1.3446071603214262
Energy: 1.3724340932587966
Energy: 1.3669732198373825
Energy: 1.3992423413364594
Energy: 1.269436458567597
Energy: 1.3992423413359034
Energy: 1.663390072377106
Energy: 1.4272978926739108
Energy: 1.2124046365008894
Energy: 1.4272978926739108
Energy: 1.4411879028673622
Energy: 1.4193070294435317
Energy: 1.6078582541455813
Energy: 1.4193070294438095
Energy: 1.3882159569663637
Energy: 1.408812913834497
Energy: 1.604778715544532
Energy: 1.4088129138347745
Energy: 1.3714675871206137
Energy: 1.3990762062575264
Energy: 1.2692602489692848
Energy: 1.3990762062572484
Energy: 1.3670989980548998
Energy: 1.382164142601612
Energy: 1.2122635116452527
Energy: 1.382164142601334
Energy: 1.2080945241148695
Energy: 1.4010738709020498
Energy: 1.3438737396166878
Energy: 1.4010738709014943

minimum gb energy = 1.2059725621360753 eV
minimum distance =  2.27688521804277 Angstroms
sigma value = 13


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

Energy: 1.3795735423540076
Energy: 1.369564590848056
Energy: 1.7682863933601276
Energy: 1.369564590848056
Energy: 1.3686867917327776
Energy: 1.2803907853662653
Energy: 1.2932265928774063
Energy: 1.2803907853662653
Energy: 1.2676205892504624
Energy: 1.306754623037625
Energy: 1.3960230505557232
Energy: 1.3067546230364862
Energy: 1.225501180357479
Energy: 1.320572615200464
Energy: 1.3144725896813523
Energy: 1.320572615200464
Energy: 1.3435199104220188
Energy: 1.284616756770542
Energy: 1.3716978586314499
Energy: 1.2846167567694031
Energy: 1.3153942303941872
Energy: 1.374225580973363
Energy: 1.5189937228398354
Energy: 1.374225580973363
Energy: 1.180097486743771
Energy: 1.356435082449322
Energy: 1.2301489659105354
Energy: 1.356435082449322
Energy: 1.200625121535969
Energy: 1.2714496131318318
Energy: 1.2155926448573415
Energy: 1.2714496131341095
Energy: 1.3439369410305888
Energy: 1.279241662855404
Energy: 1.2169876644149342
Energy: 1.2792416628576817
Energy: 1.3931276577300733
Energy: 1.3364409925687593
Energy: 1.226132416126269
Energy: 1.3364409925687593
Energy: 1.2862558315618609
Energy: 1.308887054006442
Energy: 1.2603399996708091
Energy: 1.3088870540075808
Energy: 1.219117038170745
Energy: 1.3568610959185445
Energy: 1.5150521385124667
Energy: 1.3568610959185445
Energy: 1.2601071876872774
Energy: 1.3309132941651702
Energy: 1.3327499109312206
Energy: 1.3309132941651702
Energy: 1.3731362761746495
Energy: 1.3997493351276755
Energy: 1.431131407954375
Energy: 1.3997493351276755
Energy: 1.2863742153603428
Energy: 1.3424573000408053
Energy: 1.2857147311740988
Energy: 1.3424573000408053
Energy: 1.2190563277580675
Energy: 1.34869373038039
Energy: 1.4794499054669037
Energy: 1.3486937303792512
Energy: 1.2461989054111493
Energy: 1.2790995065134525
Energy: 1.2147074103642392
Energy: 1.2790995065145914
Energy: 1.3601192356312628
Energy: 1.3079795405298655
Energy: 1.3087467840312077
Energy: 1.3079795405310044
Energy: 1.2048942894002772
Energy: 1.3378313373098087
Energy: 1.2057036562375738
Energy: 1.3378313373109474
Energy: 1.205810943982035
Energy: 1.3373717703961903
Energy: 1.2047226356691496
Energy: 1.3373717703961903
Energy: 1.308744425006303
Energy: 1.307614039517318
Energy: 1.3603409069422503
Energy: 1.307614039517318
Energy: 1.2146451307072592
Energy: 1.2792133130891195
Energy: 1.2461989054077327
Energy: 1.2792133130891195
Energy: 1.479449905464626
Energy: 1.348345296221792
Energy: 1.2190777546260878
Energy: 1.3483452962229308
Energy: 1.285714731186626
Energy: 1.342517737479401
Energy: 1.2861937365843665
Energy: 1.34251773748054
Energy: 1.5852866512696868
Energy: 1.4006268683823937
Energy: 1.3731445509923612
Energy: 1.400626868381255
Energy: 1.3324940160615506
Energy: 1.3310267469033175
Energy: 1.2601071876884162
Energy: 1.3310267469033175
Energy: 1.5151706188255638
Energy: 1.3568614108577306
Energy: 1.2191600798179156
Energy: 1.3568614108565917
Energy: 1.2603399996651148
Energy: 1.3083386952105274
Energy: 1.286115785239662
Energy: 1.3083386952093885
Energy: 1.2261791133212865
Energy: 1.33663461772719
Energy: 1.3931973113045604
Energy: 1.3366346177283286
Energy: 1.217402853172969
Energy: 1.2795501863412462
Energy: 1.3466204574192577
Energy: 1.2795501863412462
Energy: 1.2231320316318528
Energy: 1.2713948261104782
Energy: 1.2007802953132003
Energy: 1.2713948261082004
Energy: 1.2302521885942097
Energy: 1.3564769338141598
Energy: 1.1852823175783433
Energy: 1.3564769338141598
Energy: 1.518964564196075
Energy: 1.3742089159985327
Energy: 1.3367216214146709
Energy: 1.3742089159985327
Energy: 1.3716862515115968
Energy: 1.284027325388212
Energy: 1.343192881401543
Energy: 1.284027325388212
Energy: 1.3144340471038682
Energy: 1.3208498654716336
Energy: 1.2255229998362347
Energy: 1.3208498654704948

minimum gb energy = 1.180097486743771 eV
minimum distance =  2.28209365797325 Angstroms
sigma value = 37


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

Energy: 1.4372306745148944
Energy: 1.313076068548471
Energy: 1.7079607064769837
Energy: 1.313076068548471
Energy: 1.2851880119574828
Energy: 1.1807491463822866
Energy: 1.2348097724214508
Energy: 1.1807491463828654
Energy: 1.384779382658131
Energy: 1.2547371991701504
Energy: 1.505755854708024
Energy: 1.2547371991701504
Energy: 1.259092305866043
Energy: 1.4471263693483976
Energy: 1.2722969700850892
Energy: 1.4471263693485976
Energy: 1.2890582874171919
Energy: 1.2299143745235483
Energy: 1.2380301321531704
Energy: 1.2299143745235483
Energy: 1.2709051467761763
Energy: 1.303514498849413
Energy: 1.1698784883705815
Energy: 1.3035144988490346
Energy: 1.1782517501242153
Energy: 1.2606906169224577
Energy: 1.3194393651787975
Energy: 1.2606906169226577
Energy: 1.1753808242450292
Energy: 1.3943352001374119
Energy: 1.240614081901239
Energy: 1.3943352001378126
Energy: 1.1833828275310752
Energy: 1.2293479074502656
Energy: 1.2544049984309098
Energy: 1.2293479074508444
Energy: 1.276981658047636
Energy: 1.258940495432646
Energy: 1.1686848946568749
Energy: 1.258940495433225
Energy: 1.2331841045860596
Energy: 1.2567523385190549
Energy: 1.2638936986158087
Energy: 1.2567523385194557
Energy: 1.2078056955821241
Energy: 1.2941425355529084
Energy: 1.3322713089863703
Energy: 1.2941425355517504
Energy: 1.3816238815528439
Energy: 1.232990396539718
Energy: 1.3594058562319984
Energy: 1.232990396539718
Energy: 1.2855687100523465
Energy: 1.2903498799352735
Energy: 1.2499809978788112
Energy: 1.2903498799358524
Energy: 1.3731421818859246
Energy: 1.3085557866574118
Energy: 1.236333826814435
Energy: 1.3085557866576123
Energy: 1.3628515313415788
Energy: 1.2230151708398962
Energy: 1.3006865283849107
Energy: 1.2230151708402972
Energy: 1.269412438772454
Energy: 1.2588242716398206
Energy: 1.3588586014706128
Energy: 1.2588242716402211
Energy: 1.2568368720513134
Energy: 1.2636787193953585
Energy: 1.2502819227183934
Energy: 1.2636787193957368
Energy: 1.2329785246245528
Energy: 1.2561524356267846
Energy: 1.234070182070807
Energy: 1.2561524356267846
Energy: 1.1944427511864164
Energy: 1.2983221917658259
Energy: 1.2332734634807574
Energy: 1.2983221917664047

minimum gb energy = 1.1686848946568749 eV
minimum distance =  2.2806067167481 Angstroms
sigma value = 25


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

Energy: 1.2639240313597853
Energy: 1.178340513094735
Energy: 1.5506582416078114
Energy: 1.178340513094735
Energy: 1.2802691415388803
Energy: 1.123201054263092
Energy: 1.214070624934681
Energy: 1.1232010542676818
Energy: 1.2569367064232841
Energy: 1.1621267666190767
Energy: 1.2079925626949581
Energy: 1.1621267666190767
Energy: 1.113503079427258
Energy: 1.1777265628689764
Energy: 1.2015300870772962
Energy: 1.1777265628689764
Energy: 1.1830198333902082
Energy: 1.14734216940929
Energy: 1.0866419340167117
Energy: 1.14734216940929
Energy: 1.135481464599362
Energy: 1.2958783269926277
Energy: 1.1385867045848004
Energy: 1.2958783269926277
Energy: 1.1596916155663959
Energy: 1.1131682301139987
Energy: 1.220444310610669
Energy: 1.1131682301139987
Energy: 1.1379771105985876
Energy: 1.2147460845331766
Energy: 1.1313614774358922
Energy: 1.2147460845331766
Energy: 1.149462797607456
Energy: 1.1440057248477862
Energy: 1.1368007292023403
Energy: 1.1440057248477862
Energy: 1.125036142472211
Energy: 1.0751646686150467
Energy: 1.0865403556381297
Energy: 1.0751646686165766
Energy: 1.2034734378563092
Energy: 1.141239250240373
Energy: 1.1449377527460785
Energy: 1.1412392502388429
Energy: 1.1222112484463505
Energy: 1.1398146247000938
Energy: 1.1327091622466585
Energy: 1.1398146247000938
Energy: 1.1714963129838583
Energy: 1.1348924501605553
Energy: 1.1841746614514779
Energy: 1.1348924501620852
Energy: 1.1717556696427534
Energy: 1.1695648808129449
Energy: 1.0989097850860357
Energy: 1.1695648808144747
Energy: 1.2847595963249538
Energy: 1.1349067080005384
Energy: 1.1120367489201635
Energy: 1.1349067080005384
Energy: 1.1128079452096367
Energy: 1.1824996993185446
Energy: 1.2067908353592225
Energy: 1.182499699317015
Energy: 1.2558968487568882
Energy: 1.1629827779582929
Energy: 1.1368889938767355
Energy: 1.1629827779582929
Energy: 1.241723908224939
Energy: 1.1168466623431372
Energy: 1.1732712636252407
Energy: 1.1168466623431372
Energy: 1.403880531922459
Energy: 1.1541477482116305
Energy: 1.1083282459663197
Energy: 1.1541477482116305
Energy: 1.2789452082076154
Energy: 1.1645607937921276
Energy: 1.188395896458847
Energy: 1.1645607937936575
Energy: 1.2653919471579376
Energy: 1.1539402244759702
Energy: 1.1370573312329562
Energy: 1.1539402244759702
Energy: 1.155243986232884
Energy: 1.1419123408817
Energy: 1.223313732921155
Energy: 1.14191234088017
Energy: 1.2849224774442223
Energy: 1.1343941491194014
Energy: 1.1108552671868552
Energy: 1.1343941491209313
Energy: 1.1122065007922477
Energy: 1.1889255060979724
Energy: 1.1451803184613778
Energy: 1.188925506099502
Energy: 1.16236945175867
Energy: 1.134055770704779
Energy: 1.1837328883247455
Energy: 1.134055770704779
Energy: 1.1424159334657964
Energy: 1.2118286280809503
Energy: 1.1551047483358594
Energy: 1.2118286280809503

minimum gb energy = 1.0751646686150467 eV
minimum distance =  2.27612835907955 Angstroms
sigma value = 41


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

Energy: 1.1838558322569812
Energy: 1.0833975996817433
Energy: 1.3601415854517303
Energy: 1.0833975996817433
Energy: 1.1600460140848459
Energy: 1.0995497727507126
Energy: 1.104543993857801
Energy: 1.0995497727507126
Energy: 1.144204340239595
Energy: 1.0626533781297398
Energy: 1.145966281151819
Energy: 1.0626533781284853
Energy: 1.105948409617115
Energy: 1.2064691178375433
Energy: 1.1009235615630462
Energy: 1.2064691178362887
Energy: 1.1229794643749371
Energy: 1.0519248583875216
Energy: 1.137440237342283
Energy: 1.0519248583875216
Energy: 1.0853621643286235
Energy: 1.227667322424252
Energy: 1.0308157127418605
Energy: 1.227667322424252
Energy: 1.0377100367436736
Energy: 1.0436143513447642
Energy: 1.0934682270158667
Energy: 1.0436143513435099
Energy: 1.0495483338708238
Energy: 1.1790723133878342
Energy: 1.0791461413330052
Energy: 1.17907231338658
Energy: 1.0832062276415968
Energy: 0.9993321222732612
Energy: 1.109360551322064
Energy: 0.9993321222732612
Energy: 1.033235457036242
Energy: 1.0945991613539507
Energy: 1.0423178241701272
Energy: 1.0945991613564596
Energy: 1.0901747559770971
Energy: 1.0403213768234993
Energy: 1.0658239257423179
Energy: 1.040321376824754
Energy: 1.1300524975515887
Energy: 0.9580888611285779
Energy: 1.0642052614096078
Energy: 0.9580888611298323
Energy: 1.0744607644564557
Energy: 1.001045635942671
Energy: 1.154792698318484
Energy: 1.0010456359414166
Energy: 1.0372509950241482
Energy: 1.0145300982547545
Energy: 1.0265594251169787
Energy: 1.0145300982560088
Energy: 1.0821790536938813
Energy: 1.0408594074139332
Energy: 1.0650379786040243
Energy: 1.0408594074139332
Energy: 1.0091069352891713
Energy: 1.0156542912775748
Energy: 1.055583362782557
Energy: 1.0156542912775748
Energy: 1.0742173555198964
Energy: 0.9993218448047073
Energy: 1.2271307607535717
Energy: 0.9993218448059618
Energy: 1.0837931738760946
Energy: 1.0405264681135804
Energy: 1.0258309844787044
Energy: 1.0405264681135804
Energy: 1.0501620591205931
Energy: 1.0290149551435603
Energy: 1.1014091023361734
Energy: 1.0290149551448144
Energy: 1.0739247799344407
Energy: 1.054215495642851
Energy: 1.1196186331163591
Energy: 1.0542154956415968
Energy: 1.14376034541381
Energy: 1.0337773751759778
Energy: 1.2575168214758758
Energy: 1.0337773751759778
Energy: 1.164104634870342
Energy: 1.0692916660367935
Energy: 1.1066868541996409
Energy: 1.0692916660405565
Energy: 1.090956780529202
Energy: 1.0634163955087765
Energy: 1.1409024447557734
Energy: 1.063416395507522
Energy: 1.2029580117276475
Energy: 1.0736351037555174
Energy: 1.1183735871358451
Energy: 1.073635103754263
Energy: 1.1403005493729546
Energy: 1.047747753483415
Energy: 1.2587110146558682
Energy: 1.047747753483415
Energy: 1.0375963287155667
Energy: 1.0627999342425107
Energy: 1.105034033329235
Energy: 1.062799934243765
Energy: 1.0517551261833331
Energy: 1.014832552211346
Energy: 1.1406693975262032
Energy: 1.014832552211346
Energy: 1.1167388869320285
Energy: 1.056149267305871
Energy: 1.0695376703520212
Energy: 1.056149267305871
Energy: 0.9979405522279817
Energy: 1.0180209692973008
Energy: 1.2269511320111355
Energy: 1.0180209692960465
Energy: 1.053761964507887
Energy: 1.1285516739626458
Energy: 1.0255975529460597
Energy: 1.1285516739639
Energy: 1.0829519233447342
Energy: 1.0405906260133098
Energy: 0.9831079132811114
Energy: 1.0405906260133098
Energy: 1.0875289421959007
Energy: 1.13589249827873
Energy: 1.0427337489514064
Energy: 1.1358924982774756

minimum gb energy = 0.9580888611285779 eV
minimum distance =  2.27810319912163 Angstroms
sigma value = 15


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

Energy: 1.1145108379145703
Energy: 0.9912660028453832
Energy: 1.2183558039228146
Energy: 0.9912660028443206
Energy: 1.1199186167485318
Energy: 1.0171565413104873
Energy: 1.0706849316896216
Energy: 1.0171565413094246
Energy: 1.0452747660909194
Energy: 0.9810299049008315
Energy: 1.0773452645097916
Energy: 0.9810299049008315
Energy: 1.0201940237903677
Energy: 1.0566101462722963
Energy: 1.0223585821201318
Energy: 1.0566101462712338
Energy: 1.0582954900858546
Energy: 0.9458506459591439
Energy: 1.041565537389421
Energy: 0.9458506459602066
Energy: 1.050159505825624
Energy: 1.0356064757757273
Energy: 1.021508707066504
Energy: 1.03560647577679
Energy: 1.080710834401589
Energy: 0.9593825190074244
Energy: 1.066813872720799
Energy: 0.9593825190074244
Energy: 0.9675370253472318
Energy: 0.997563032478889
Energy: 1.0041724952462043
Energy: 0.997563032478889
Energy: 1.0206865294713372
Energy: 0.9604453405938019
Energy: 1.0189049675990538
Energy: 0.9604453405969898
Energy: 1.040284851621739
Energy: 1.0019810342922242
Energy: 0.9783266960009834
Energy: 1.0019810342922242
Energy: 1.0633957001684124
Energy: 0.9141155486001289
Energy: 1.0320859781199225
Energy: 0.9141155486001289
Energy: 1.0500594420459626
Energy: 1.0079596652418557
Energy: 0.9614861398277957
Energy: 1.0079596652407932
Energy: 0.9976566620891558
Energy: 0.9537227108857116
Energy: 1.0675076869559565
Energy: 0.9537227108867741
Energy: 0.9832786968966711
Energy: 0.8842266003249649
Energy: 1.0487872155503275
Energy: 0.8842266003270901
Energy: 1.1157791382056117
Energy: 0.956588489503878
Energy: 0.9971760639411563
Energy: 0.9565884895060032
Energy: 0.974951314987289
Energy: 0.9358829705793046
Energy: 0.9624176300661503
Energy: 0.9358829705824925
Energy: 0.991528910623046
Energy: 0.9416074415263566
Energy: 1.1259064937991012
Energy: 0.9416074415274192
Energy: 0.9778086496907091
Energy: 0.9222580676766012
Energy: 0.9606523437654431
Energy: 0.922258067674476
Energy: 1.180973504020206
Energy: 0.9174836321716282
Energy: 0.9809684218833041
Energy: 0.917483632169503
Energy: 0.967705821765804
Energy: 0.9278695163329711
Energy: 1.0060046461200898
Energy: 0.9278695163329711
Energy: 1.0021802890096183
Energy: 0.9641663673974663
Energy: 1.2008787477196832
Energy: 0.9641663673974663
Energy: 1.019670144972863
Energy: 0.9678698638596644
Energy: 1.0377098124343977
Energy: 0.9678698638596644
Energy: 1.2487453409551788
Energy: 0.9270647445342131
Energy: 1.0287790805443202
Energy: 0.9270647445320879
Energy: 1.0214868125423961
Energy: 0.9689360729304441
Energy: 1.0182154401838575
Energy: 0.9689360729293817
Energy: 1.0492883031164342
Energy: 0.9772969144122453
Energy: 1.2968619929077296
Energy: 0.9772969144111827
Energy: 1.0909908674374806
Energy: 0.9973486400307076
Energy: 1.0623889895870537
Energy: 0.9973486400307076
Energy: 1.1545842802151218
Energy: 0.9895249474488295
Energy: 1.043538294730946
Energy: 0.9895249474488295
Energy: 1.1074454714624038
Energy: 0.9995364808743239
Energy: 1.0659173342951953
Energy: 0.9995364808732614
Energy: 1.142379162641962
Energy: 0.9772015398760031
Energy: 1.292870263885841
Energy: 0.9772015398770658
Energy: 1.0203851513179674
Energy: 0.9795759612441869
Energy: 1.0587925305574903
Energy: 0.9795759612441869
Energy: 0.9804253098146706
Energy: 0.9599993101613733
Energy: 1.0437522742853051
Energy: 0.9599993101603108
Energy: 1.0231764172076
Energy: 0.9876912504298355
Energy: 0.9669255803225325
Energy: 0.9876912504319607
Energy: 0.9194728370729858
Energy: 0.9644029547465239
Energy: 1.2005460570121314
Energy: 0.9644029547475865
Energy: 0.9898742035835977
Energy: 0.9803369794242699
Energy: 1.0398987177408567
Energy: 0.9803369794221447
Energy: 1.1807452828066236
Energy: 0.9063059923177161
Energy: 0.9281452931196869
Energy: 0.9063059923177161
Energy: 1.0303208370726282
Energy: 0.9505125938765318
Energy: 0.9764221783713875
Energy: 0.9505125938775942
Energy: 0.970716312363659
Energy: 0.9414026676288481
Energy: 1.126040242990987
Energy: 0.9414026676277854

minimum gb energy = 0.8842266003249649 eV
minimum distance =  2.29285616913683 Angstroms
sigma value = 85


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

Energy: 1.1877745196120102
Energy: 0.9470186690448854
Energy: 1.1358109275022943
Energy: 0.9470186690448854
Energy: 0.9777524041474678
Energy: 1.0339425337923982
Energy: 1.0096790165676384
Energy: 1.0339425337923982
Energy: 0.9450769339691829
Energy: 0.9440615176602632
Energy: 1.1203022240161729
Energy: 0.9440615176602632
Energy: 0.922651686203815
Energy: 0.9833820512932907
Energy: 1.005434910555374
Energy: 0.9833820512932907
Energy: 1.1130429533309931
Energy: 0.9074112461797869
Energy: 0.9364478309537615
Energy: 0.9074112461797869
Energy: 0.9218470951722492
Energy: 0.9321156965832404
Energy: 0.9364507699670124
Energy: 0.9321156965832404
Energy: 0.8690912127738747
Energy: 0.8920609546439632
Energy: 0.995409711632134
Energy: 0.8920609546448848
Energy: 0.906781636287197
Energy: 1.0119879731026389
Energy: 0.9613304492700575
Energy: 1.0119879731054038
Energy: 0.992895739558466
Energy: 0.8710248645266756
Energy: 0.9427635556538846
Energy: 0.8710248645275972
Energy: 0.8922787193748446
Energy: 0.9260456576188374
Energy: 0.9008206881262292
Energy: 0.9260456576188374
Energy: 0.8982372478507894
Energy: 0.8709267042198859
Energy: 0.9512706166661314
Energy: 0.8709267042198859
Energy: 0.8961931157652934
Energy: 0.9283424571495256
Energy: 0.9487049436322532
Energy: 0.9283424571513478
Energy: 0.9511321430332583
Energy: 0.8754591251835029
Energy: 0.9106769179120513
Energy: 0.8754591251835029
Energy: 0.9209017322820247
Energy: 0.9265784338680149
Energy: 0.9856254752673926
Energy: 0.9265784338670932
Energy: 0.9373275674217946
Energy: 0.8752513499033922
Energy: 0.9260741494630175
Energy: 0.8752513499033922
Energy: 0.982209807903715
Energy: 0.8473279786687581
Energy: 0.9143712366731294
Energy: 0.8473279786687581
Energy: 0.9275937513148813
Energy: 0.8679547109454772
Energy: 0.9274687422554821
Energy: 0.8679547109454772
Energy: 0.9172699164454768
Energy: 0.8941880730561627
Energy: 0.9837285374815488
Energy: 0.894188073055241
Energy: 1.006324390654687
Energy: 0.8787094227921175
Energy: 0.9200184472383328
Energy: 0.8787094227911958
Energy: 0.8965837950336679
Energy: 0.8411943885257831
Energy: 0.8968277657353884
Energy: 0.8411943885257831
Energy: 0.8968176678195319
Energy: 0.8642876744689054
Energy: 0.9313227500236125
Energy: 0.8642876744689054
Energy: 0.8860759448782484
Energy: 0.8410073014127
Energy: 0.9011708551045865
Energy: 0.8410073014117785
Energy: 1.1381078991139466
Energy: 0.8757356253389882
Energy: 0.9291414025258303
Energy: 0.8757356253380667
Energy: 0.9227868102616595
Energy: 0.8747699698734467
Energy: 0.8897067852192408
Energy: 0.8747699698734467
Energy: 0.8805550300220305
Energy: 0.9011700926110829
Energy: 0.9083818895935335
Energy: 0.9011700926110829
Energy: 0.920681189253071
Energy: 0.8706620538987891
Energy: 0.9013075486230931
Energy: 0.8706620538987891
Energy: 1.2142521940398312
Energy: 0.8825071960119398
Energy: 0.8420648109955945
Energy: 0.8825071960128615
Energy: 1.0182921275911032
Energy: 0.8779543746269436
Energy: 0.9244372207143735
Energy: 0.8779543746269436
Energy: 0.9501891848456531
Energy: 0.9355713105609118
Energy: 1.0115669905931235
Energy: 0.9355713105609118
Energy: 0.9776110473497488
Energy: 0.8822594914575722
Energy: 0.99650692438892
Energy: 0.8822594914584728
Energy: 1.2963235700960323
Energy: 0.9392808109864583
Energy: 0.9457137524397659
Energy: 0.9392808109864583
Energy: 1.0427070789334716
Energy: 0.9034965763764479
Energy: 0.9645277307560519
Energy: 0.9034965763764479
Energy: 0.9454412518181406
Energy: 0.9355726480881156
Energy: 1.27068080421771
Energy: 0.9355726480881156
Energy: 0.9666753196566616
Energy: 0.8723540301270788
Energy: 0.9761681996579301
Energy: 0.8723540301344517
Energy: 1.2376745710391244
Energy: 0.8923418890009965
Energy: 0.9461689581851913
Energy: 0.8923418890009965
Energy: 0.9690526157007965
Energy: 0.8723418650189503
Energy: 0.8899277124935782
Energy: 0.8723418650198718
Energy: 0.8426968129160498
Energy: 0.900613964895716
Energy: 1.1781808453355986
Energy: 0.9006139648947945
Energy: 0.8921952618595346
Energy: 0.880093624034709
Energy: 0.9627429292231771
Energy: 0.8800936240337874
Energy: 1.1376033768779696
Energy: 0.8830106098591191
Energy: 0.8541479984543058
Energy: 0.8830106098591191
Energy: 0.9585182265042816
Energy: 0.7942931732558141
Energy: 0.9114586900210967
Energy: 0.7942931732484413
Energy: 0.8853388171876609
Energy: 0.8647080071828176
Energy: 0.9463636663352262
Energy: 0.8647080071828176
Energy: 0.992425961499179
Energy: 0.842174225236385
Energy: 0.9198944889038118
Energy: 0.842174225236385
Energy: 1.06738778440158
Energy: 0.8428224414014518
Energy: 0.9033028758310719
Energy: 0.8428224414014518

minimum gb energy = 0.7942931732484413 eV
minimum distance =  2.29379228981577 Angstroms
sigma value = 113


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

Energy: 0.014959200064511515
Energy: 0.01510674433765162
Energy: 1.4091982409668815
Energy: 0.01510674433765162
Energy: 0.015096256599961218
Energy: 0.9323096030481812
Energy: 0.0150962566006697
Energy: 0.9323096030468035
Energy: 1.409198240965504
Energy: 0.01510674433765162
Energy: 0.014959200063842394
Energy: 0.01510674433765162
Energy: 0.015096256599961218
Energy: 0.9323096030481812
Energy: 0.0150962566006697
Energy: 0.932309603047512
Energy: 0.014959200064511515
Energy: 0.01510674433765162
Energy: 1.4091982409668815
Energy: 0.01510674433765162
Energy: 0.015096256599961218
Energy: 0.9323096030481812
Energy: 0.015096256599961218
Energy: 0.9323096030481812

minimum gb energy = 0.014959200063842394 eV
minimum distance =  2.45227314350393 Angstroms
sigma value = 1