Model name: model_name=MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049998879432679
cohesive_energy=3.360254209517775
mass=26.981538
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: 0.010374191207229256
Energy: 0.011194046962073122
Energy: 0.6839764214715524
Energy: 0.011194046962073122
Energy: 0.011194046962073122
Energy: 0.5524212483341076
Energy: 0.011194046962073122
Energy: 0.5524212483346073
Energy: 0.6839764214715524
Energy: 0.011194046962545078
Energy: 0.010374191207728973
Energy: 0.011194046962073122
Energy: 0.011194046962073122
Energy: 0.5524212483346073
Energy: 0.011194046962073122
Energy: 0.5524212483341076

minimum gb energy = 0.010374191207229256 eV
minimum distance =  2.67554369116456 Angstroms
sigma value = 1


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

Energy: 0.6484798601641012
Energy: 0.6248037690938133
Energy: 0.6873677123803165
Energy: 0.6248037690938133
Energy: 0.6223116102354398
Energy: 0.6410800805461498
Energy: 0.6236585974698181
Energy: 0.6410800805461498
Energy: 0.6058734608016929
Energy: 0.6165679730268685
Energy: 0.6333913043421794
Energy: 0.6165679730268685
Energy: 0.6222796681871148
Energy: 0.6438290797896239
Energy: 0.6050954093050686
Energy: 0.6438290797890177
Energy: 0.6260039426656933
Energy: 0.630715998244491
Energy: 0.6160002423142893
Energy: 0.630715998244491
Energy: 0.5945452290313569
Energy: 0.7009269343180995
Energy: 0.5824633217736291
Energy: 0.7009269343180995
Energy: 0.6228292915002372
Energy: 0.6216304185402847
Energy: 0.5958214624867082
Energy: 0.6216304185402847
Energy: 0.5614626111289359
Energy: 0.6289965428078669
Energy: 0.5840515340841823
Energy: 0.6289965428078669
Energy: 0.6055267878037758
Energy: 0.7898828144441618
Energy: 0.6188857367733416
Energy: 0.7898828144441618
Energy: 0.5879928821047429
Energy: 0.6160991099678828
Energy: 0.5618991951157899
Energy: 0.6160991099678828
Energy: 0.6215163086562495
Energy: 0.6436922069194243
Energy: 0.6052260040783198
Energy: 0.6436922069194243
Energy: 0.6324565240893812
Energy: 0.628959207091937
Energy: 0.5922776666284703
Energy: 0.628959207091937
Energy: 0.6221414797567361
Energy: 0.6149714970243894
Energy: 0.6228079570187416
Energy: 0.6149714970243894
Energy: 0.6305567589430726
Energy: 0.6458698723153083
Energy: 0.6021744183173076
Energy: 0.6458698723147023
Energy: 0.6446894721506342
Energy: 0.6329252261791832
Energy: 0.6220592625541262
Energy: 0.632925226178577
Energy: 0.6447268247914445
Energy: 0.6269269330487216
Energy: 0.6305019391108511
Energy: 0.6269269330487216
Energy: 0.6335661177923247
Energy: 0.6163503629631895
Energy: 0.5912749295784896
Energy: 0.6163503629631895
Energy: 0.6237443844355751
Energy: 0.6157315609979239
Energy: 0.6221253389052135
Energy: 0.6157315609985301
Energy: 0.5767624055054769
Energy: 0.6276773500628615
Energy: 0.5971108340821768
Energy: 0.6276773500634675
Energy: 0.6236232983809122
Energy: 0.7693639974290473
Energy: 0.6072868697899497
Energy: 0.7693639974290473
Energy: 0.5816199710138037
Energy: 0.6163003983014319
Energy: 0.5609424585755752
Energy: 0.6163003983014319
Energy: 0.605013341805799
Energy: 0.6978803359246175
Energy: 0.6351630141431202
Energy: 0.6978803359246175
Energy: 0.6787626667356694
Energy: 0.6306839035650309
Energy: 0.6031231957628933
Energy: 0.6306839035644248
Energy: 0.6720136319218166
Energy: 0.617116432454629
Energy: 0.5945754795122049
Energy: 0.617116432454629
Energy: 0.5954249457474852
Energy: 0.698308326554137
Energy: 0.7011337920870777
Energy: 0.6983083265535309
Energy: 0.6277228008348769
Energy: 0.6291894273919421
Energy: 0.6073555735597863
Energy: 0.6291894273919421
Energy: 0.6211940360358831
Energy: 0.7157435389126628
Energy: 0.6056595863714075
Energy: 0.7157435389126628
Energy: 0.607568071627263
Energy: 0.6143642877924732
Energy: 0.635827868881855
Energy: 0.6143642877924732
Energy: 0.622447053383501
Energy: 0.6488843231646468
Energy: 0.6212465841878426
Energy: 0.6488843231646468
Energy: 0.6469174970087925
Energy: 0.6257511872575281
Energy: 0.6336973879466624
Energy: 0.6257511872575281
Energy: 0.6228535854325945
Energy: 0.6498237132623623
Energy: 0.6219181848889429
Energy: 0.6498237132623623
Energy: 0.6253920919073492
Energy: 0.6188640823534398
Energy: 0.6306292345744198
Energy: 0.6188640823528337
Energy: 0.6256473783660387
Energy: 0.6412761213176802
Energy: 0.6064304956446821
Energy: 0.6412761213176802

minimum gb energy = 0.5609424585755752 eV
minimum distance =  2.53546974163453 Angstroms
sigma value = 1


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

Energy: 0.6803785730370024
Energy: 0.7139104764937433
Energy: 0.6892302567655679
Energy: 0.7139104764930523
Energy: 0.6487522862811775
Energy: 0.6944647286818215
Energy: 0.6469424035145995
Energy: 0.6944647286818215
Energy: 0.6337873293231756
Energy: 0.6704776300926091
Energy: 0.6654553045224396
Energy: 0.6704776300926091
Energy: 0.6100786837710764
Energy: 0.6763578962941794
Energy: 0.6127595797986486
Energy: 0.6763578962948703
Energy: 0.6099661185530718
Energy: 0.658730509180016
Energy: 0.6437053106854256
Energy: 0.658730509180707
Energy: 0.6640663106610634
Energy: 0.6593618878391306
Energy: 0.7193207034862922
Energy: 0.6593618878405125
Energy: 0.6519454584973576
Energy: 0.709312884496057
Energy: 0.6167185522489743
Energy: 0.7093128844967479
Energy: 0.5823831892999667
Energy: 0.6702260980593208
Energy: 0.6088464280886627
Energy: 0.6702260980586299
Energy: 0.6093188002024973
Energy: 0.7997066203950068
Energy: 0.6469637574055933
Energy: 0.7997066203950068
Energy: 0.6218318792771044
Energy: 0.6721392889752642
Energy: 0.6274429856365124
Energy: 0.6721392889745731
Energy: 0.6192778642663003
Energy: 0.6613729011730285
Energy: 0.642317155228098
Energy: 0.6613729011730285
Energy: 0.5967656673513151
Energy: 0.7084322798163307
Energy: 0.6545142555233027
Energy: 0.7084322798156396
Energy: 0.6569955544674536
Energy: 0.6541898493688514
Energy: 0.6309703103677352
Energy: 0.6541898493702335
Energy: 0.6570711397850993
Energy: 0.6540177481987537
Energy: 0.6371514298586658
Energy: 0.6540177481987537
Energy: 0.5966061368460682
Energy: 0.6876608119505391
Energy: 0.6656736226334994
Energy: 0.6876608119519211
Energy: 0.6192140317577546
Energy: 0.6613303965514975
Energy: 0.6469409522670794
Energy: 0.6613303965508064
Energy: 0.621817598366408
Energy: 0.6719674621051361
Energy: 0.6024518901620926
Energy: 0.6719674621058271
Energy: 0.609304990287997
Energy: 0.7995204057421974
Energy: 0.6469615684678617
Energy: 0.7995204057428886
Energy: 0.5823839223631966
Energy: 0.6699537476249096
Energy: 0.610756023230624
Energy: 0.6699537476228367
Energy: 0.6486711627158052
Energy: 0.7093716903396765
Energy: 0.612482358468363
Energy: 0.7093716903396765
Energy: 0.6639680448781705
Energy: 0.6594858593147099
Energy: 0.6114309890117751
Energy: 0.6594858593140189
Energy: 0.6098830512930485
Energy: 0.6588074656521662
Energy: 0.6305001387102286
Energy: 0.6588074656528572
Energy: 0.6100809791919473
Energy: 0.6762291155783293
Energy: 0.6163552092313939
Energy: 0.6762291155783293
Energy: 0.633814122153023
Energy: 0.6707036546406585
Energy: 0.6656940994416027
Energy: 0.6707036546399675
Energy: 0.6488217125748582
Energy: 0.6945236382955179
Energy: 0.6471372394054498
Energy: 0.6945236382955179
Energy: 0.6803785730376936
Energy: 0.7139104764937433
Energy: 0.711485880009674
Energy: 0.7139104764930523
Energy: 0.6487522862818687
Energy: 0.6944647286818215
Energy: 0.6469424035145995
Energy: 0.6944647286818215
Energy: 0.6337873293231756
Energy: 0.670477630091918
Energy: 0.6389068546877614
Energy: 0.670477630091918
Energy: 0.6100786837703853
Energy: 0.6763578962941794
Energy: 0.6127595797986486
Energy: 0.6763578962948703

minimum gb energy = 0.5823831892999667 eV
minimum distance =  2.51540943883709 Angstroms
sigma value = 25


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

Energy: 0.6530950862325956
Energy: 0.6953745181390855
Energy: 0.7838443701381389
Energy: 0.6953745181382821
Energy: 0.6359294027638446
Energy: 0.7105927194996523
Energy: 0.634987535764826
Energy: 0.7105927194996523
Energy: 0.6632911503837842
Energy: 0.7435417103129578
Energy: 0.6347283623558809
Energy: 0.7435417103129578
Energy: 0.6382412446831016
Energy: 0.7300920852033712
Energy: 0.6329734171896592
Energy: 0.7300920852033712
Energy: 0.6341665892215704
Energy: 0.7008407787957783
Energy: 0.632109692023263
Energy: 0.7008407787957783
Energy: 0.6970340019306267
Energy: 0.7430656508995248
Energy: 0.7422893746690336
Energy: 0.7430656509003281
Energy: 0.6476421594633177
Energy: 0.7273786668317768
Energy: 0.6378161211158846
Energy: 0.7273786668309734
Energy: 0.766406383898922
Energy: 0.6966671944406484
Energy: 0.6057195274840587
Energy: 0.6966671944406484
Energy: 0.6483031702023841
Energy: 0.6708627860678723
Energy: 0.6476162558504531
Energy: 0.670862786067069
Energy: 0.636737867463216
Energy: 0.7216484914746549
Energy: 0.6189077624105189
Energy: 0.7216484914746549
Energy: 0.6375740768425171
Energy: 0.6943114946636392
Energy: 0.6351132953329808
Energy: 0.6943114946636392
Energy: 0.6326676363336872
Energy: 0.6953673102859244
Energy: 0.6346900961973675
Energy: 0.6953673102859244
Energy: 0.6346271456506174
Energy: 0.7050826916921781
Energy: 0.6197425769727753
Energy: 0.7050826916921781
Energy: 0.6482969842080087
Energy: 0.7066463662159838
Energy: 0.6358793373203796
Energy: 0.7066463662167871
Energy: 0.629226627542084
Energy: 0.7019088446773801
Energy: 0.6042986395436284
Energy: 0.7019088446773801
Energy: 0.6358783316644443
Energy: 0.8387011712547454
Energy: 0.6242919861355914
Energy: 0.8387011712547454
Energy: 0.606978718040719
Energy: 0.7463595126103161
Energy: 0.6034515476702464
Energy: 0.7463595126103161
Energy: 0.6332357257139927
Energy: 0.6963132734004427
Energy: 0.6385303954559225
Energy: 0.6963132734012458
Energy: 0.619453344055917
Energy: 0.7294102948025373
Energy: 0.6337374684286999
Energy: 0.7294102948025373
Energy: 0.6351106709530678
Energy: 0.7440745780353611
Energy: 0.6356020755985925
Energy: 0.7440745780353611
Energy: 0.6422578487091903
Energy: 0.7093565358016896
Energy: 0.6383985967917805
Energy: 0.7093565358016896
Energy: 0.6503536173882072
Energy: 0.7000290244379487
Energy: 0.7041042585681514
Energy: 0.7000290244379487
Energy: 0.6475013654232518
Energy: 0.6854191628099737
Energy: 0.6349927271369595
Energy: 0.6854191628099737
Energy: 0.6667714071373014
Energy: 0.7266362080013777
Energy: 0.6366685263484744
Energy: 0.7266362080013777
Energy: 0.6359432394337601
Energy: 0.8064114985326638
Energy: 0.6232874723236593
Energy: 0.8064114985326638

minimum gb energy = 0.6034515476702464 eV
minimum distance =  2.5452915433209 Angstroms
sigma value = 9


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

Energy: 0.7026009467736494
Energy: 0.7655128970407269
Energy: 0.8501178019297442
Energy: 0.7655128970407269
Energy: 0.6539783016904942
Energy: 0.7271991374142619
Energy: 0.662835752950695
Energy: 0.7271991374152201
Energy: 0.6211620259782547
Energy: 0.7409612004341806
Energy: 0.6632205738693839
Energy: 0.7409612004341806
Energy: 0.724666544279107
Energy: 0.7995317294158116
Energy: 0.6309251249717607
Energy: 0.7995317294158116
Energy: 0.7051708954055059
Energy: 0.7027485510347954
Energy: 0.6635559811400825
Energy: 0.7027485510347954
Energy: 0.636029485662744
Energy: 0.7589781978941714
Energy: 0.625050576319471
Energy: 0.7589781978941714
Energy: 0.6617243594778744
Energy: 0.6301541567749696
Energy: 0.6295097806982488
Energy: 0.6301541567749696
Energy: 0.6798363642885861
Energy: 0.7601087694391251
Energy: 0.6450954134032343
Energy: 0.7601087694391251
Energy: 0.6630244666605613
Energy: 0.7023332957582112
Energy: 0.6578187744843729
Energy: 0.7023332957582112
Energy: 0.6573771167756347
Energy: 0.7830858909663716
Energy: 0.6308506795134614
Energy: 0.7830858909663716
Energy: 0.6565892409616457
Energy: 0.7313372054231839
Energy: 0.6737372715337429
Energy: 0.7313372054241422
Energy: 0.6619794496066707
Energy: 0.7057775677156807
Energy: 0.6665999114105164
Energy: 0.7057775677156807
Energy: 0.6362456098511535
Energy: 0.766974141345802
Energy: 0.623698055699653
Energy: 0.7669741413448435
Energy: 0.659107400994146
Energy: 0.751382533385774
Energy: 0.6636069691503858
Energy: 0.7513825333848158
Energy: 0.640898241900627
Energy: 0.7803730197350727
Energy: 0.6916719461646621
Energy: 0.7803730197350727
Energy: 0.7243745116722358
Energy: 0.7823550897812438
Energy: 0.630889153881359
Energy: 0.782355089782202
Energy: 0.6881794541058408
Energy: 0.7373314844405539
Energy: 0.6632145033330714
Energy: 0.7373314844405539
Energy: 0.6825008575125449
Energy: 0.7440522244119397
Energy: 0.6634167116790123
Energy: 0.7440522244119397
Energy: 0.6664505312290849
Energy: 0.7077133512438577
Energy: 0.6593349455883666
Energy: 0.7077133512438577
Energy: 0.746296385768431
Energy: 0.7422556341562304
Energy: 0.6450350597150871
Energy: 0.7422556341552722
Energy: 0.662605629828718
Energy: 0.7453884088334998
Energy: 0.6664971950873423
Energy: 0.7453884088334998

minimum gb energy = 0.6211620259782547 eV
minimum distance =  2.56872009460656 Angstroms
sigma value = 25


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

Energy: 0.63080286605724
Energy: 0.7339904491285507
Energy: 0.7771309710505008
Energy: 0.7339904491285507
Energy: 0.6209597584472913
Energy: 0.6903624361936778
Energy: 0.6239345431415937
Energy: 0.6903624361936778
Energy: 0.6223246728866091
Energy: 0.7322257426154382
Energy: 0.6253403641248962
Energy: 0.7322257426166231
Energy: 0.6336732478760841
Energy: 0.7178688328070192
Energy: 0.7720090530984418
Energy: 0.7178688328070192
Energy: 0.74363983529887
Energy: 0.6955073605709757
Energy: 0.662003972655808
Energy: 0.6955073605697908
Energy: 0.6219537521046481
Energy: 0.7574881874817349
Energy: 0.6228350499295027
Energy: 0.7574881874817349
Energy: 0.6504522460866895
Energy: 0.7088913528563204
Energy: 0.6225498059241908
Energy: 0.7088913528563204
Energy: 0.7807605050236894
Energy: 0.7351794095093289
Energy: 0.6341310436972919
Energy: 0.7351794095093289
Energy: 0.6252124170594332
Energy: 0.6904913138457994
Energy: 0.6229057895494883
Energy: 0.6904913138457994
Energy: 0.7719608147145531
Energy: 0.7088833634699735
Energy: 0.6219279153516672
Energy: 0.7088833634699735
Energy: 0.6915550625494862
Energy: 0.7336153715738793
Energy: 0.862439484491605
Energy: 0.7336153715738793
Energy: 0.6225692502471204
Energy: 0.6385042134573647
Energy: 0.7468874093509243
Energy: 0.6385042134621051
Energy: 0.7769207712493003
Energy: 0.7338318338937598
Energy: 0.6231624095746122
Energy: 0.7338318338937598
Energy: 0.6853429296411302
Energy: 0.6964214692668366
Energy: 0.6332584385405791
Energy: 0.6964214692668366
Energy: 0.6219609555569775
Energy: 0.7478827602938396
Energy: 0.7400231507421859
Energy: 0.7478827602938396
Energy: 0.6254965324093503
Energy: 0.7053252482164706
Energy: 0.621923363808558
Energy: 0.7053252482164706
Energy: 0.6238203180342516
Energy: 0.7353645168390114
Energy: 0.74512101710227
Energy: 0.7353645168390114

minimum gb energy = 0.6209597584472913 eV
minimum distance =  2.58756879502387 Angstroms
sigma value = 17


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

Energy: 0.7150058190466286
Energy: 0.7713374211831542
Energy: 0.925907354450368
Energy: 0.7713374211831542
Energy: 0.7444423423920654
Energy: 0.6797748217827831
Energy: 0.6703638834241782
Energy: 0.6797748217827831
Energy: 0.7489248823898301
Energy: 0.7615511519226398
Energy: 0.6461837542519062
Energy: 0.7615511519226398
Energy: 0.6423423771559263
Energy: 0.782858834950312
Energy: 0.7356095352741489
Energy: 0.782858834950312
Energy: 0.7621232132519236
Energy: 0.7536504320451021
Energy: 0.6492794564502599
Energy: 0.7536504320451021
Energy: 0.6438986423536174
Energy: 0.7543079529068308
Energy: 0.8890079752061162
Energy: 0.7543079529068308
Energy: 0.6418497397585397
Energy: 0.7167293067003175
Energy: 0.6689590752912372
Energy: 0.7167293066996465
Energy: 0.7511211938389676
Energy: 0.7683103168778725
Energy: 0.644784128061427
Energy: 0.7683103168778725
Energy: 0.6461864899268184
Energy: 0.7460029498773479
Energy: 0.7686925104424281
Energy: 0.7460029498773479
Energy: 0.8169364636954197
Energy: 0.7285459150231892
Energy: 0.6433859638778437
Energy: 0.7285459150231892
Energy: 0.6411691877858317
Energy: 0.7631389333515163
Energy: 0.7423882210599785
Energy: 0.7631389333515163
Energy: 0.6449663498504626
Energy: 0.7160137433801828
Energy: 0.659390897054712
Energy: 0.7160137433801828
Energy: 0.8631721238078595
Energy: 0.7639217072507674
Energy: 0.6915867948793284
Energy: 0.7639217072507674
Energy: 0.6436943726685576
Energy: 0.7799857971837795
Energy: 0.7440983446090327
Energy: 0.7799857971837795
Energy: 0.7156809641406162
Energy: 0.7032891466108637
Energy: 0.6467502813624137
Energy: 0.7032891466108637
Energy: 0.7441777188234299
Energy: 0.7486549641438325
Energy: 0.7509003221296902
Energy: 0.7486549641431613
Energy: 0.6665243886787132
Energy: 0.7203541261912982
Energy: 0.8046934694229434
Energy: 0.7203541261919694
Energy: 0.8555460593782319
Energy: 0.7433706222478025
Energy: 0.6439824920972074
Energy: 0.7433706222478025
Energy: 0.6881274887246732
Energy: 0.7206668578892931
Energy: 0.7088262054646017
Energy: 0.7206668578892931
Energy: 0.6895855498670036
Energy: 0.7651658188565955
Energy: 0.6428741838446567
Energy: 0.7651658188565955
Energy: 0.70213284123528
Energy: 0.7640259159148002
Energy: 0.7486447468088003
Energy: 0.7640259159148002
Energy: 0.6692275606303659
Energy: 0.7574132648169315
Energy: 0.8213124454453316
Energy: 0.7574132648176026
Energy: 0.7988242433815466
Energy: 0.7878615493468341
Energy: 0.6418106481342928
Energy: 0.7878615493468341
Energy: 0.6901196907348022
Energy: 0.7035664721168808
Energy: 0.7515946595333831
Energy: 0.7035664721168808
Energy: 0.6884074162852226
Energy: 0.7793298090495621
Energy: 0.7306857336448548
Energy: 0.7793298090488909
Energy: 0.7978011611078467
Energy: 0.7829371050915536
Energy: 0.6428872145191349
Energy: 0.7829371050915536
Energy: 0.6492852976078447
Energy: 0.7633249700690412
Energy: 0.8435157216118088
Energy: 0.7633249700690412
Energy: 0.7519737513470713
Energy: 0.7672556353111631
Energy: 0.7463612459374444
Energy: 0.7672556353111631
Energy: 0.7831890930906111
Energy: 0.8077160227957296
Energy: 0.6417653459796125
Energy: 0.8077160227957296
Energy: 0.6446129840678745
Energy: 0.7594023735740315
Energy: 0.8587259234829927
Energy: 0.7594023735747027

minimum gb energy = 0.6411691877858317 eV
minimum distance =  2.51349121114333 Angstroms
sigma value = 53


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

Energy: 0.6029510257195223
Energy: 0.7481018863898847
Energy: 1.006756320422784
Energy: 0.7481018863914298
Energy: 0.7481122236860135
Energy: 0.6682512063882047
Energy: 0.7022749423924646
Energy: 0.6682512063882047
Energy: 0.6034702518736786
Energy: 0.6785347216629155
Energy: 0.7780485199971986
Energy: 0.6785347216613704
Energy: 0.60342624116332
Energy: 0.6033315642029997
Energy: 0.7355056490934725
Energy: 0.6033315642045448
Energy: 0.748087522797504
Energy: 0.6682681601828802
Energy: 0.7317931278683468
Energy: 0.6682681601813351
Energy: 0.6029510257195223
Energy: 0.7481018863898847
Energy: 0.8542376186440133
Energy: 0.7481018863914298
Energy: 0.7481130005478898
Energy: 0.6682512063882047
Energy: 0.7355241522750782
Energy: 0.6682512063897498
Energy: 0.6034702518736786
Energy: 0.6785347216629155
Energy: 0.7780485200219207
Energy: 0.6785347216629155
Energy: 0.60342624116332
Energy: 0.6033315642045448
Energy: 0.6789882571318177
Energy: 0.6033315642045448
Energy: 0.7480920781605969
Energy: 0.6682681601828802
Energy: 0.732594322758796
Energy: 0.6682681601813351
Energy: 0.6029510257195223
Energy: 0.7481018863898847
Energy: 0.9143882396340981
Energy: 0.7481018863914298
Energy: 0.7481126399840661
Energy: 0.6682512063897498
Energy: 0.7355211052739503
Energy: 0.6682512063882047
Energy: 0.6034702518721335
Energy: 0.6785347216629155
Energy: 0.778048520001834
Energy: 0.6785347216613704

minimum gb energy = 0.6029510257195223 eV
minimum distance =  2.55353619319541 Angstroms
sigma value = 9


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

Energy: 0.6899750983382025
Energy: 0.759721862915519
Energy: 0.9382467362576901
Energy: 0.759721862915519
Energy: 0.7946823043834002
Energy: 0.7119042449598149
Energy: 0.7056711195569533
Energy: 0.7119042449603866
Energy: 0.654591642432101
Energy: 0.7138711983065262
Energy: 0.680107049926595
Energy: 0.713871198307098
Energy: 0.7556442636030254
Energy: 0.7646811778221319
Energy: 0.6627550288618326
Energy: 0.76468117782156
Energy: 0.8536347277249562
Energy: 0.7310818788427567
Energy: 0.6717975339909884
Energy: 0.7310818788427567
Energy: 0.6850735959301631
Energy: 0.7403851623624614
Energy: 0.8759955517602018
Energy: 0.7403851623630332
Energy: 0.880550998784314
Energy: 0.7404154135337911
Energy: 0.6916345238007444
Energy: 0.7404154135337911
Energy: 0.6544759387179279
Energy: 0.7743085793168133
Energy: 0.7641996768280573
Energy: 0.7743085793168133
Energy: 0.656424409814651
Energy: 0.7746087390043496
Energy: 0.6869438175792032
Energy: 0.7746087390043496
Energy: 0.654643310733687
Energy: 0.7306001220843399
Energy: 0.6700056982858487
Energy: 0.7306001220849118
Energy: 0.6562478980278722
Energy: 0.7627251753783402
Energy: 0.8724015319793953
Energy: 0.7627251753777684
Energy: 0.7933435764452295
Energy: 0.7844300489781564
Energy: 0.6594201261419715
Energy: 0.7844300489775846
Energy: 0.6570138084995545
Energy: 0.760728907838942
Energy: 0.808403771112814
Energy: 0.760728907838942
Energy: 0.742574637700654
Energy: 0.7743770710690038
Energy: 0.689703243479901
Energy: 0.7743770710690038
Energy: 0.6558581348333495
Energy: 0.7576759308470274
Energy: 0.7455373976655271
Energy: 0.7576759308470274
Energy: 0.6594684300345457
Energy: 0.7750591962011207
Energy: 0.7647699804663426
Energy: 0.7750591962005489
Energy: 0.7038997984897918
Energy: 0.7227185613241038
Energy: 0.656273729268537
Energy: 0.722718561323532
Energy: 0.6584301507264484
Energy: 0.7579580381646601
Energy: 0.8746501424552485
Energy: 0.757958038165232
Energy: 0.7646872371207482
Energy: 0.7474850884598188
Energy: 0.6855196476326386
Energy: 0.7474850884598188
Energy: 0.65910393068777
Energy: 0.7287059490230734
Energy: 0.7268982743693215
Energy: 0.7287059490230734
Energy: 0.7603825418258464
Energy: 0.7659454461770226
Energy: 0.7567694585413852
Energy: 0.7659454461775945
Energy: 0.7114000067529748
Energy: 0.7493440410403108
Energy: 0.6554210958129036
Energy: 0.7493440410397388
Energy: 0.6868127663834612
Energy: 0.7522247616252002
Energy: 0.6581879602325426
Energy: 0.7522247616252002
Energy: 0.8635848028835936
Energy: 0.7546056154674348
Energy: 0.654283047834924
Energy: 0.7546056154680068
Energy: 0.6758741454123364
Energy: 0.8258856875920177
Energy: 0.850415176242062
Energy: 0.8258856875920177
Energy: 0.716259654761371
Energy: 0.7530495323551989
Energy: 0.6553979212759254
Energy: 0.7530495323551989
Energy: 0.7259682057296879
Energy: 0.7513333900943869
Energy: 0.7448822513962708
Energy: 0.7513333900943869
Energy: 0.6873483987781344
Energy: 0.7702212917456349
Energy: 0.7456641564570285
Energy: 0.7702212917456349
Energy: 0.7201236183204744
Energy: 0.7356923893504234
Energy: 0.6546634786425286
Energy: 0.7356923893504234
Energy: 0.705552288000212
Energy: 0.9028807340539771
Energy: 0.8505699481970327
Energy: 0.9028807340539771
Energy: 0.8717294916130761
Energy: 0.753127368637968
Energy: 0.6535608878442869
Energy: 0.753127368637968
Energy: 0.6735659461124438
Energy: 0.7500685332791607
Energy: 0.6559954284498692
Energy: 0.7500685332785888
Energy: 0.68134038233922
Energy: 0.7654308673270969
Energy: 0.6547274494141757
Energy: 0.7654308673270969
Energy: 0.76256344612634
Energy: 0.7647422262915383
Energy: 0.7559276595917873
Energy: 0.7647422262915383
Energy: 0.6742628916082233
Energy: 0.766939571390059
Energy: 0.8767704604975606
Energy: 0.766939571390059

minimum gb energy = 0.6535608878442869 eV
minimum distance =  2.51577290204765 Angstroms
sigma value = 73


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

Energy: 0.7603344880023314
Energy: 0.7545714430594039
Energy: 0.8992082896589434
Energy: 0.7545714430584967
Energy: 0.6608039359553638
Energy: 0.8265878156584515
Energy: 0.6853724199560117
Energy: 0.8265878156584515
Energy: 0.647798234001378
Energy: 0.7122684406473927
Energy: 0.6657686327601208
Energy: 0.7122684406473927
Energy: 0.6524277400586178
Energy: 0.75589396890938
Energy: 0.6682320919444458
Energy: 0.7558939689084727
Energy: 0.7033949594793896
Energy: 0.7345787512304965
Energy: 0.6653403133137731
Energy: 0.7345787512314038
Energy: 0.6671267050689411
Energy: 0.756749927662144
Energy: 0.8462977997885242
Energy: 0.7567499276612367
Energy: 0.8495428759462641
Energy: 0.808336555355025
Energy: 0.6479816271600305
Energy: 0.808336555355025
Energy: 0.6652138413096459
Energy: 0.7259576121203879
Energy: 0.822392850158609
Energy: 0.7259576121203879
Energy: 0.8515335190103966
Energy: 0.7288968787504997
Energy: 0.6955507828919897
Energy: 0.7288968787504997
Energy: 0.6490842832908632
Energy: 0.7292600700728104
Energy: 0.647576421700969
Energy: 0.7292600700728104
Energy: 0.6681449444543752
Energy: 0.7458730496481655
Energy: 0.7955735670778161
Energy: 0.7458730496481655
Energy: 0.7529489016033994
Energy: 0.7616435123484765
Energy: 0.652758183305129
Energy: 0.7616435123484765
Energy: 0.6670668551192762
Energy: 0.7488800906776794
Energy: 0.9769213050432696
Energy: 0.7488800906767721
Energy: 0.8619891473904202
Energy: 0.7704878767339963
Energy: 0.668181110076582
Energy: 0.7704878767339963
Energy: 0.6728835913885873
Energy: 0.7629848654232323
Energy: 0.8213796371698722
Energy: 0.7629848654232323
Energy: 0.8210219192912281
Energy: 0.7444936812242123
Energy: 0.6657245284866035
Energy: 0.7444936812242123
Energy: 0.7214211677294343
Energy: 0.771460131615739
Energy: 0.6476625024205347
Energy: 0.771460131615739
Energy: 0.7335517389589844
Energy: 0.7477508594281244
Energy: 0.6489135078752537
Energy: 0.7477508594281244
Energy: 0.6509377908691321
Energy: 0.7365154849922908
Energy: 0.6648010221010395
Energy: 0.7365154849922908
Energy: 0.7123041907717794
Energy: 0.8406528737113386
Energy: 0.8431047322313728
Energy: 0.8406528737113386
Energy: 0.8379755548201987
Energy: 0.7580294472115332
Energy: 0.6666764306335963
Energy: 0.7580294472115332
Energy: 0.6717434923041828
Energy: 0.7338410585691196
Energy: 0.7464343282014142
Energy: 0.7338410585691196

minimum gb energy = 0.647576421700969 eV
minimum distance =  2.52188137258666 Angstroms
sigma value = 7


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

Energy: 0.7315953703585647
Energy: 0.7599225887454294
Energy: 0.9004548426536647
Energy: 0.759922588746071
Energy: 0.7573223119965609
Energy: 0.8205626058548797
Energy: 0.7335779047254696
Energy: 0.8205626058542381
Energy: 0.6867140624595373
Energy: 0.772225930720633
Energy: 0.7022612545017102
Energy: 0.772225930720633
Energy: 0.6805411055057139
Energy: 0.7563759654885635
Energy: 0.6988202533169703
Energy: 0.7563759654904881
Energy: 0.7167656192008042
Energy: 0.7485119231750295
Energy: 0.683497413496233
Energy: 0.7485119231763125
Energy: 0.6781461949520272
Energy: 0.7655792108136525
Energy: 0.8328467539589839
Energy: 0.7655792108149357
Energy: 0.7851100139422289
Energy: 0.8485225188810226
Energy: 0.6940559975372267
Energy: 0.8485225188842304
Energy: 0.6783167402138731
Energy: 0.7511009809985553
Energy: 0.8959999418620453
Energy: 0.7511009809991968
Energy: 0.9133481674600376
Energy: 0.7576612805441126
Energy: 0.6789914232132881
Energy: 0.7576612805428293
Energy: 0.7157109008438812
Energy: 0.7630870401478405
Energy: 0.763930524416859
Energy: 0.7630870401478405
Energy: 0.708888152472572
Energy: 0.7626628469382258
Energy: 0.7107714050845371
Energy: 0.7626628469375842
Energy: 0.6885094254796403
Energy: 0.7414154536197989
Energy: 0.6698592067998134
Energy: 0.7414154536191573
Energy: 0.7160383225345663
Energy: 0.7667983500335401
Energy: 0.6709619806265962
Energy: 0.7667983500348232
Energy: 0.7015234402243488
Energy: 0.7646626468280038
Energy: 0.6700699661101743
Energy: 0.7646626468286453
Energy: 0.7095873802207942
Energy: 0.7535515193205425
Energy: 0.760530298218141
Energy: 0.7535515193218257
Energy: 0.8934160395537748
Energy: 0.7477192046310914
Energy: 0.6759450647663102
Energy: 0.7477192046304498
Energy: 0.6980024101632193
Energy: 0.7264463586729034
Energy: 0.7158431980476562
Energy: 0.7264463586722618
Energy: 0.683837959835367
Energy: 0.8134188229197871
Energy: 0.6701061719501858
Energy: 0.8134188229210702
Energy: 0.6977132559664637
Energy: 0.7713384688570541
Energy: 0.672927520956323
Energy: 0.7713384688583371
Energy: 0.7140034203079911
Energy: 0.7355736637659869
Energy: 0.6703283596529097
Energy: 0.7355736637640622
Energy: 0.8617416094201467
Energy: 0.7592833617613226
Energy: 0.6792451443087414
Energy: 0.7592833617632473
Energy: 0.6857954072720632
Energy: 0.7696185779895892
Energy: 0.7818644586367132
Energy: 0.769618577991514
Energy: 0.8225768275402446
Energy: 0.7626129179185387
Energy: 0.673163364543583
Energy: 0.7626129179159724
Energy: 0.7328392912970649
Energy: 0.7495449269312003
Energy: 0.8568685853441802
Energy: 0.7495449269318418
Energy: 0.6913679926017294
Energy: 0.7350562560453064
Energy: 0.672390041390259
Energy: 0.7350562560459479
Energy: 0.6805300527220933
Energy: 0.772746322457007
Energy: 0.7038558970226508
Energy: 0.7727463224576486
Energy: 0.7162039534875737
Energy: 0.7554528227826637
Energy: 0.7463845907161558
Energy: 0.7554528227813805
Energy: 0.6807996204089546
Energy: 0.7263721598732091
Energy: 0.6844588744132294
Energy: 0.7263721598744923
Energy: 0.6751856765504411
Energy: 0.7568462624120518
Energy: 0.825277125451287
Energy: 0.7568462624107688
Energy: 0.7116478647221425
Energy: 0.6900895132994728
Energy: 0.750555169306717
Energy: 0.6900895133000851
Energy: 0.6751905681639649
Energy: 0.7566744298130782
Energy: 0.8074347670465195
Energy: 0.7566744298156446

minimum gb energy = 0.6698592067998134 eV
minimum distance =  2.4903317482022 Angstroms
sigma value = 29


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

Energy: 0.6526005741733595
Energy: 0.7206524646737885
Energy: 0.741606107682695
Energy: 0.7206524646737885
Energy: 0.645912295026865
Energy: 0.6785249372059295
Energy: 0.6873565091629354
Energy: 0.6785249372063519
Energy: 0.6598553874129464
Energy: 0.7089402908720723
Energy: 0.6725721065151808
Energy: 0.7089402908714267
Energy: 0.6542478970374226
Energy: 0.6878565152621858
Energy: 0.6534940699390177
Energy: 0.6878565152621858
Energy: 0.6534469288181295
Energy: 0.6836220214186629
Energy: 0.6724159390831062
Energy: 0.6836220214184394
Energy: 0.6602894612721231
Energy: 0.7150979295898918
Energy: 0.6603470162390764
Energy: 0.7150979295896931
Energy: 0.6596551703896956
Energy: 0.6836201419029626
Energy: 0.6534423685537982
Energy: 0.6836201419031862
Energy: 0.6535077737163125
Energy: 0.6878801212014819
Energy: 0.6542422654357908
Energy: 0.6878801212014819
Energy: 0.6726757379407549
Energy: 0.7089076039000061
Energy: 0.6722869511596684
Energy: 0.7089076039000061

minimum gb energy = 0.645912295026865 eV
minimum distance =  2.56740562165866 Angstroms
sigma value = 5


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

Energy: 0.6660926622697263
Energy: 0.7143167766919332
Energy: 0.8499053572719134
Energy: 0.7143167766925393
Energy: 0.7555428222186565
Energy: 0.7866620230442224
Energy: 0.6412676558663101
Energy: 0.7866620230436164
Energy: 0.6330406524212608
Energy: 0.7384738398124011
Energy: 0.8005724297965365
Energy: 0.7384738398117949
Energy: 0.6506988155107973
Energy: 0.7365674589328698
Energy: 0.65436921076412
Energy: 0.7365674589334759
Energy: 0.6487570015558797
Energy: 0.7646822341561592
Energy: 0.7340010682988453
Energy: 0.7646822341555531
Energy: 0.7092502046922993
Energy: 0.7616318140603366
Energy: 0.6529661992861079
Energy: 0.7616318140597306
Energy: 0.6461932939463645
Energy: 0.7208646968535446
Energy: 0.6493878081594474
Energy: 0.7208646968535446
Energy: 0.6500966411090228
Energy: 0.7798590303774836
Energy: 0.6553936299352592
Energy: 0.7798590303774836
Energy: 0.6491067580633967
Energy: 0.782199012911024
Energy: 0.6585531351828524
Energy: 0.782199012911024
Energy: 0.6478930371198934
Energy: 0.7226464865010183
Energy: 0.6562576274257047
Energy: 0.7226464865010183
Energy: 0.6863445171117019
Energy: 0.818612211515797
Energy: 0.6353320341128438
Energy: 0.818612211515797
Energy: 0.6449240316250713
Energy: 0.7710212692420293
Energy: 0.7080623289517752
Energy: 0.7710212692414231
Energy: 0.700069713511686
Energy: 0.7343637992042088
Energy: 0.6917416858258247
Energy: 0.7343637992042088
Energy: 0.6418243126433635
Energy: 0.7787723208746216
Energy: 0.747189878972668
Energy: 0.7787723208740154
Energy: 0.6707018677303168
Energy: 0.7667232707604722
Energy: 0.6395429852697146
Energy: 0.7667232707598661
Energy: 0.6569044044438048
Energy: 0.7323601168955225
Energy: 0.6980502426593144
Energy: 0.7323601168955225
Energy: 0.7601139684900448
Energy: 0.759992128361818
Energy: 0.63935014732733
Energy: 0.759992128361818
Energy: 0.6366749911991749
Energy: 0.7399762473847025
Energy: 0.7438726926028504
Energy: 0.7399762473853085
Energy: 0.6382768206118531
Energy: 0.7304998856109828
Energy: 0.6542960290552259
Energy: 0.730499885611589
Energy: 0.6483592514380614
Energy: 0.8376194621846813
Energy: 0.6796093222905262
Energy: 0.8376194621846813
Energy: 0.6468225856398766
Energy: 0.7870424141203629
Energy: 0.6562923244207891
Energy: 0.7870424141203629
Energy: 0.6507082424125883
Energy: 0.7193202308212775
Energy: 0.6505905702315156
Energy: 0.7193202308212775
Energy: 0.6438492655397081
Energy: 0.7889573332645164
Energy: 0.6488743430376519
Energy: 0.7889573332651225
Energy: 0.7031392957983692
Energy: 0.7554240483462573
Energy: 0.6482483776056169
Energy: 0.7554240483462573
Energy: 0.7103984745632962
Energy: 0.7141889954961845
Energy: 0.6545489550042911
Energy: 0.7141889954961845
Energy: 0.675793194320426
Energy: 0.7613422664219915
Energy: 0.6505414330904739
Energy: 0.7613422664219915
Energy: 0.6438619027798662
Energy: 0.7387143871035416
Energy: 0.6847756776566263
Energy: 0.7387143871035416
Energy: 0.7151005318118959
Energy: 0.8235486081788331
Energy: 0.6569060028599643
Energy: 0.8235486081794393
Energy: 0.6392327431096596
Energy: 0.8430314783481226
Energy: 0.7596598355221714
Energy: 0.8430314783481226
Energy: 0.7664287932885293
Energy: 0.7641333247596889
Energy: 0.6367551242931415
Energy: 0.7641333247596889
Energy: 0.6515109359008113
Energy: 0.6992001123918976
Energy: 0.7406734891133786
Energy: 0.6992001123906855
Energy: 0.7706219991740045
Energy: 0.8021859239078987
Energy: 0.6383760557961858
Energy: 0.8021859239078987
Energy: 0.6590286802961238
Energy: 0.822277646996402
Energy: 0.8120356928929818
Energy: 0.822277646996402

minimum gb energy = 0.6330406524212608 eV
minimum distance =  2.50072164833411 Angstroms
sigma value = 1


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

Energy: 0.7527601849704425
Energy: 0.7475960351075764
Energy: 0.7607951056037587
Energy: 0.7475960351075764
Energy: 0.6817025125689764
Energy: 0.8423140153742212
Energy: 0.6186489185483647
Energy: 0.8423140153733832
Energy: 0.6289372546821332
Energy: 0.7247846190595155
Energy: 0.7450132058161576
Energy: 0.7247846190586775
Energy: 0.6238894413655434
Energy: 0.7734024621100476
Energy: 0.6332828919838954
Energy: 0.7734024621092095
Energy: 0.6208772414163993
Energy: 0.756244988844745
Energy: 0.7422428464550468
Energy: 0.756244988844745
Energy: 0.6194192996171064
Energy: 0.7858562621763431
Energy: 0.6333819689203616
Energy: 0.7858562621763431
Energy: 0.6349060487502892
Energy: 0.7173473183497585
Energy: 0.6646468957649287
Energy: 0.7173473183497585
Energy: 0.6281571669354172
Energy: 0.7018780142031387
Energy: 0.6463690830787039
Energy: 0.7018780142031387
Energy: 0.6873539629391832
Energy: 0.704919656188142
Energy: 0.6839470998756126
Energy: 0.704919656188142
Energy: 0.6869770816937093
Energy: 0.718742816691751
Energy: 0.6448293091506125
Energy: 0.718742816692589
Energy: 0.6278776382165022
Energy: 0.7179279376706329
Energy: 0.6663155339797006
Energy: 0.7179279376706329
Energy: 0.6274314907614528
Energy: 0.7446287001072883
Energy: 0.6623719768958637
Energy: 0.7446287001081263
Energy: 0.6143433011149313
Energy: 0.7984821481251069
Energy: 0.6350094328698249
Energy: 0.7984821481259448
Energy: 0.612355303469968
Energy: 0.7430714678375394
Energy: 0.6819584181163023
Energy: 0.7430714678367014
Energy: 0.6738493960351405
Energy: 0.7395606389947705
Energy: 0.6415494038187428
Energy: 0.7395606389956085
Energy: 0.6289621318308686
Energy: 0.7010941014819722
Energy: 0.6597505539998124
Energy: 0.7010941014828102
Energy: 0.7235015368789061
Energy: 0.8470050901030993
Energy: 0.6158450786773872
Energy: 0.8470050901022614
Energy: 0.7527601849704425
Energy: 0.7475960351075764
Energy: 0.7834315438006348
Energy: 0.7475960351075764
Energy: 0.6817025125689764
Energy: 0.8423140153742212
Energy: 0.6186489185492027
Energy: 0.8423140153733832
Energy: 0.6289372546821332
Energy: 0.7247846190595155
Energy: 0.7450132058161576
Energy: 0.7247846190586775
Energy: 0.6238894413663815
Energy: 0.7734024621100476
Energy: 0.6332828919838954
Energy: 0.7734024621092095
Energy: 0.6208772414163993
Energy: 0.756244988844745
Energy: 0.7422428464550468
Energy: 0.756244988844745
Energy: 0.6194192996171064
Energy: 0.7858562621771811
Energy: 0.6333819689203616
Energy: 0.7858562621763431
Energy: 0.6349060487494512
Energy: 0.7173473183489205
Energy: 0.6876153738874778
Energy: 0.7173473183489205

minimum gb energy = 0.612355303469968 eV
minimum distance =  2.54558151817416 Angstroms
sigma value = 17


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

Energy: 0.6657065186188843
Energy: 0.6663486691077221
Energy: 0.7850881108650944
Energy: 0.6663486691077221
Energy: 0.804654712055481
Energy: 0.7744863888698869
Energy: 0.6282087259198353
Energy: 0.7744863888698869
Energy: 0.6303922603346024
Energy: 0.6935196786691312
Energy: 0.7951713007218272
Energy: 0.6935196786675775
Energy: 0.6937841954791611
Energy: 0.7341568256830648
Energy: 0.6238139490760233
Energy: 0.7341568256835828
Energy: 0.6294500924957902
Energy: 0.7537973849789551
Energy: 0.7458741418281868
Energy: 0.7537973849789551
Energy: 0.6361701872555555
Energy: 0.8268403851500306
Energy: 0.6294026288605484
Energy: 0.8268403851500306
Energy: 0.6338867668015142
Energy: 0.7262883445603587
Energy: 0.6812128710770534
Energy: 0.7262883445598407
Energy: 0.6257009011147812
Energy: 0.7304320831983577
Energy: 0.6307506575929118
Energy: 0.7304320831983577
Energy: 0.673294327404093
Energy: 0.7419442475972725
Energy: 0.6721606927543967
Energy: 0.7419442475977905
Energy: 0.6737909943994081
Energy: 0.805152550908909
Energy: 0.6352895473774044
Energy: 0.8051525509099449
Energy: 0.6320007660603513
Energy: 0.7869660842171625
Energy: 0.6351895755698245
Energy: 0.7869660842176804
Energy: 0.6338729944262963
Energy: 0.6740311550921616
Energy: 0.6341431567054632
Energy: 0.6740311550916437
Energy: 0.6332621668740284
Energy: 0.7786040273203151
Energy: 0.6285395893292923
Energy: 0.7786040273197972
Energy: 0.635885728976094
Energy: 0.7483716190085612
Energy: 0.6857429012433404
Energy: 0.7483716190085612
Energy: 0.6351276212343371
Energy: 0.7716162097701169
Energy: 0.6725220983322113
Energy: 0.7716162097695989
Energy: 0.6324329587319736
Energy: 0.7280145332825343
Energy: 0.7455930774620677
Energy: 0.7280145332830522
Energy: 0.6619396962862873
Energy: 0.7292416690773316
Energy: 0.6284322844503658
Energy: 0.7292416690778495
Energy: 0.6184047302319323
Energy: 0.6974043766858615
Energy: 0.6539983202650267
Energy: 0.6974043766858615
Energy: 0.7505553387573994
Energy: 0.7935833471764542
Energy: 0.6286333806194278
Energy: 0.7935833471759363
Energy: 0.6233426762042541
Energy: 0.6614833277268561
Energy: 0.7998914290819352
Energy: 0.661483327727374
Energy: 0.8472504165359313
Energy: 0.7174515903825186
Energy: 0.6238833274899102
Energy: 0.7174515903825186
Energy: 0.6237361403915221
Energy: 0.7478716152949709
Energy: 0.7153851466704698
Energy: 0.7478716152949709
Energy: 0.8483273446338464
Energy: 0.7270047947193403
Energy: 0.624727193558955
Energy: 0.7270047947193403
Energy: 0.629487472696698
Energy: 0.7315247824757553
Energy: 0.7698010918164033
Energy: 0.7315247824757553
Energy: 0.6889726874377305
Energy: 0.6973014616350125
Energy: 0.6192212086672854
Energy: 0.6973014616344945
Energy: 0.6295559835931583
Energy: 0.7011058665482097
Energy: 0.6603814971658885
Energy: 0.7011058665492456
Energy: 0.7237922080271006
Energy: 0.8104218607714473
Energy: 0.6306840782468282
Energy: 0.8104218607714473
Energy: 0.6752381559242543
Energy: 0.7603930963081362
Energy: 0.633803441511508
Energy: 0.7603930963076183
Energy: 0.682338401284052
Energy: 0.7344307365313143
Energy: 0.6364482673441499
Energy: 0.7344307365307965
Energy: 0.6238824633918911
Energy: 0.7778003722099214
Energy: 0.6802529647692339
Energy: 0.7778003722104393
Energy: 0.6331201535025222
Energy: 0.7066713167687645
Energy: 0.6355116588027502
Energy: 0.7066713167698003
Energy: 0.6300955534097721
Energy: 0.7889286643279513
Energy: 0.627053315843026
Energy: 0.7889286643279513
Energy: 0.6329534373723226
Energy: 0.7949995489887886
Energy: 0.745987925510949
Energy: 0.7949995489882706
Energy: 0.6763920323503045
Energy: 0.7431116069177723
Energy: 0.6346028294295608
Energy: 0.7431116069177723
Energy: 0.6299995951139344
Energy: 0.7331277491824311
Energy: 0.6563624868990621
Energy: 0.7331277491824311
Energy: 0.6909187143184352
Energy: 0.7473222970945892
Energy: 0.6301451862755935
Energy: 0.7473222970940713
Energy: 0.6247368975054455
Energy: 0.8236524595986182
Energy: 0.7947584089655889
Energy: 0.8236524595991362
Energy: 0.7803349471526079
Energy: 0.7476753025465622
Energy: 0.6297066714468359
Energy: 0.7476753025460443

minimum gb energy = 0.6184047302319323 eV
minimum distance =  2.5364997074456 Angstroms
sigma value = 89


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

Energy: 0.5812591441520754
Energy: 0.581379030923794
Energy: 0.72924474861225
Energy: 0.581379030923794
Energy: 0.5826668858239136
Energy: 0.5960644730338862
Energy: 0.592938303005844
Energy: 0.5960644730338862
Energy: 0.5907024960222861
Energy: 0.7060771373067684
Energy: 0.6548202681326895
Energy: 0.7060771373067684
Energy: 0.6117137888265385
Energy: 0.5958752041337404
Energy: 0.5928564530134457
Energy: 0.5958752041337404
Energy: 0.5914010371308143
Energy: 0.6700723892150217
Energy: 0.8370810057431415
Energy: 0.6700723892163768
Energy: 0.5908676611695596
Energy: 0.5816407052708544
Energy: 0.584707457754511
Energy: 0.5816407052708544
Energy: 0.590623518505367
Energy: 0.706953388345535
Energy: 0.5824903736988462
Energy: 0.706953388345535
Energy: 0.6312273752881349
Energy: 0.7062049233742588
Energy: 0.5927779824343196
Energy: 0.7062049233742588
Energy: 0.5910799710458363
Energy: 0.6324654260322841
Energy: 0.6104367769830207
Energy: 0.6324654260322841
Energy: 0.6161886066036849
Energy: 0.6699594356172961
Energy: 0.5839174348638551
Energy: 0.6699594356172961
Energy: 0.5814962997170545
Energy: 0.5962581447441517
Energy: 0.590496114186812
Energy: 0.5962581447441517
Energy: 0.5821517848399888
Energy: 0.668078774075475
Energy: 0.592298956265691
Energy: 0.6680787740768303
Energy: 0.5910442982640863
Energy: 0.6702826561770754
Energy: 0.6321758021899464
Energy: 0.6702826561770754
Energy: 0.591244275349496
Energy: 0.6309203880917138
Energy: 0.5912338410680861
Energy: 0.6309203880917138
Energy: 0.6092544464622858
Energy: 0.6702552593170098
Energy: 0.5910452036349634
Energy: 0.6702552593170098

minimum gb energy = 0.5812591441520754 eV
minimum distance =  2.55228558943751 Angstroms
sigma value = 13


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

Energy: 0.5814913053618166
Energy: 0.7042725670105323
Energy: 0.8965050908447209
Energy: 0.7042725670116684
Energy: 0.7438813082152645
Energy: 0.7123676173293866
Energy: 0.5691888345931354
Energy: 0.7123676173293866
Energy: 0.5692521581602034
Energy: 0.7357709266976917
Energy: 0.8182512711051787
Energy: 0.7357709266976917
Energy: 0.5727158463277773
Energy: 0.7120523083164517
Energy: 0.5706034677765855
Energy: 0.7120523083170197
Energy: 0.5786709875494859
Energy: 0.7580846329852641
Energy: 0.600796700224278
Energy: 0.758084632982424
Energy: 0.8304078782884029
Energy: 0.6465339341255454
Energy: 0.5721700474976741
Energy: 0.6465339341266814
Energy: 0.5785014727537935
Energy: 0.7482898738113792
Energy: 0.707747321557405
Energy: 0.7482898738124895
Energy: 0.5726195814865729
Energy: 0.7413671675550294
Energy: 0.5720802826097816
Energy: 0.7413671675578695
Energy: 0.5776826751052181
Energy: 0.7482314661400494
Energy: 0.6860935375071784
Energy: 0.7482314661542236
Energy: 0.6724544597037866
Energy: 0.7660584323617484
Energy: 0.5707678421826636
Energy: 0.7660584323611805
Energy: 0.5785837970952185
Energy: 0.7044621136671452
Energy: 0.6160554289752067
Energy: 0.7044621136648731
Energy: 0.7047272280235873
Energy: 0.7450316414181113
Energy: 0.5761864773419799
Energy: 0.7450316414198153
Energy: 0.5894292813659144
Energy: 0.7589307776492408
Energy: 0.5718938788301304
Energy: 0.7589307776469687
Energy: 0.7149498699872145
Energy: 0.7541660082120649
Energy: 0.5764775380762228
Energy: 0.7541660082114969
Energy: 0.5786141499711605
Energy: 0.7267731962911453
Energy: 0.5742436513876956
Energy: 0.7267731962917132
Energy: 0.5662802739379262
Energy: 0.6741017633324538
Energy: 0.5765083334862217
Energy: 0.6741017633318858
Energy: 0.5767376114971264
Energy: 0.7267233466363332
Energy: 0.5765653265315513
Energy: 0.7267233466357652
Energy: 0.5904828316540923
Energy: 0.7801981440534194
Energy: 0.580983864244371
Energy: 0.7801981440562593
Energy: 0.5751184477182912
Energy: 0.7708455122354518
Energy: 0.5812857590703504
Energy: 0.7708455122365878
Energy: 0.5750452821099767
Energy: 0.7707114180812725
Energy: 0.5812626591217029
Energy: 0.7707114180824085
Energy: 0.5904942583339771
Energy: 0.7802227589372156
Energy: 0.5809759269229239
Energy: 0.7802227589366476
Energy: 0.5748095429378771
Energy: 0.7267579299636024
Energy: 0.57660955447641
Energy: 0.7267579299630345
Energy: 0.5662634709702424
Energy: 0.6741832986227685
Energy: 0.5765044381646537
Energy: 0.6741832986210645
Energy: 0.5786080697774202
Energy: 0.7269911041266982
Energy: 0.593076500768369
Energy: 0.7269911041266982
Energy: 0.714876589116965
Energy: 0.754228505428171
Energy: 0.5764549790035375
Energy: 0.754228505428171
Energy: 0.5889328290100214
Energy: 0.7591148951925107
Energy: 0.5933752981495557
Energy: 0.7591148951925107
Energy: 0.7045861907497262
Energy: 0.7455422951566457
Energy: 0.5760506250214293
Energy: 0.7455422951566457
Energy: 0.5772675394180337
Energy: 0.7046875292398478
Energy: 0.6159613503768884
Energy: 0.7046875292426878
Energy: 0.6724877510488506
Energy: 0.7658587943231789
Energy: 0.5707595230767714
Energy: 0.7658587943214749
Energy: 0.5775343507880843
Energy: 0.7480941534971584
Energy: 0.7117511040936157
Energy: 0.7480941534965903
Energy: 0.5727748743107779
Energy: 0.7432080592973352
Energy: 0.5720808622981283
Energy: 0.7432080592973352
Energy: 0.5785485095798409
Energy: 0.7481101735499414
Energy: 0.7781994480745087
Energy: 0.7481101735476694
Energy: 0.8300061587656409
Energy: 0.6466027594635889
Energy: 0.5720601021231873
Energy: 0.6466027594635889
Energy: 0.5784916996207585
Energy: 0.7576332096706881
Energy: 0.6146757820043438
Energy: 0.7576332096718241
Energy: 0.5729976092488149
Energy: 0.7121567237852597
Energy: 0.5706094692129129
Energy: 0.7121567237886678

minimum gb energy = 0.5662634709702424 eV
minimum distance =  2.41270238957688 Angstroms
sigma value = 37


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

Energy: 0.6068994831662898
Energy: 0.5974385427107269
Energy: 0.9193306906887552
Energy: 0.5974385427097497
Energy: 0.7850307711435758
Energy: 0.6432168689990375
Energy: 0.5252209889684558
Energy: 0.6432168689990375
Energy: 0.5335120224032779
Energy: 0.7853625117243257
Energy: 0.7382813138110097
Energy: 0.7853625117243257
Energy: 0.573440035005386
Energy: 0.5927131612314427
Energy: 0.5275180812251958
Energy: 0.5927131612314427
Energy: 0.5253503678400763
Energy: 0.6390508684224053
Energy: 0.6868582003623033
Energy: 0.6390508684224053
Energy: 0.5504749657080535
Energy: 0.7018268518273512
Energy: 0.587675700862507
Energy: 0.7018268518273512
Energy: 0.5321556802837922
Energy: 0.7818066744037925
Energy: 0.7047587292537278
Energy: 0.7818066744037925
Energy: 0.514593545944183
Energy: 0.5330020396209932
Energy: 0.5347762707125917
Energy: 0.5330020396219706
Energy: 0.5269350979265665
Energy: 0.6434425406335024
Energy: 0.6379028278805556
Energy: 0.6434425406335024
Energy: 0.6962923969835323
Energy: 0.7635044265634328
Energy: 0.5876599333142034
Energy: 0.7635044265634328
Energy: 0.533774680995717
Energy: 0.7292562919050267
Energy: 0.5876014995760612
Energy: 0.7292562919040495
Energy: 0.6705425472458217
Energy: 0.6390683214982115
Energy: 0.527432517433087
Energy: 0.6390683214972342
Energy: 0.5856613833376876
Energy: 0.6970390708801029
Energy: 0.5295040764415042
Energy: 0.6970390708791256
Energy: 0.7058407132002557
Energy: 0.7779058207831138
Energy: 0.5197541425235461
Energy: 0.7779058207840911
Energy: 0.6069072449236541
Energy: 0.609656154003335
Energy: 0.5245326162205589
Energy: 0.6096561540043122
Energy: 0.608107339404382
Energy: 0.6327935509072983
Energy: 0.5250746246656303
Energy: 0.6327935509072983
Energy: 0.5856019310657387
Energy: 0.7500377628388187
Energy: 0.5198836372106205
Energy: 0.750037762839796
Energy: 0.5878347083871469
Energy: 0.7374589080438371
Energy: 0.5256078012022201
Energy: 0.7374589080438371
Energy: 0.5256844509941899
Energy: 0.6391668043158342
Energy: 0.5253658629253223
Energy: 0.6391668043158342
Energy: 0.525209167562841
Energy: 0.7093114745688474
Energy: 0.5856512236002609
Energy: 0.7093114745688474

minimum gb energy = 0.514593545944183 eV
minimum distance =  2.52858826633221 Angstroms
sigma value = 25


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

Energy: 0.5494704436049221
Energy: 0.730999453162431
Energy: 0.892165777959856
Energy: 0.730999453162431
Energy: 0.7066786959033154
Energy: 0.6458698067591527
Energy: 0.47548792986254346
Energy: 0.6458698067591527
Energy: 0.5246445449034082
Energy: 0.5183674006453769
Energy: 0.6764445166027094
Energy: 0.518367400646903
Energy: 0.6049232385502858
Energy: 0.613506568396547
Energy: 0.47632902350995154
Energy: 0.6135065683973101
Energy: 0.48100721616397446
Energy: 0.6462791669599283
Energy: 0.5110736904111625
Energy: 0.6462791669599283
Energy: 0.5087821738432607
Energy: 0.6457879190209136
Energy: 0.4827601648029978
Energy: 0.6457879190209136
Energy: 0.4756187814701631
Energy: 0.5577776023278317
Energy: 0.6595405600446087
Energy: 0.5577776023285947
Energy: 0.47903953907780744
Energy: 0.6165141211706106
Energy: 0.5256794116045673
Energy: 0.6165141211706106
Energy: 0.47480309033777973
Energy: 0.6473177269282774
Energy: 0.7920848267291632
Energy: 0.6473177269282774
Energy: 0.46306305587708346
Energy: 0.6404008237461011
Energy: 0.49487069056014726
Energy: 0.640400823746864
Energy: 0.4756934607229906
Energy: 0.5571411944533362
Energy: 0.6453109681983895
Energy: 0.5571411944540993
Energy: 0.5999398083787321
Energy: 0.6994548446691763
Energy: 0.5258144141441619
Energy: 0.6994548446691763
Energy: 0.47732103557420796
Energy: 0.6145521800884387
Energy: 0.6052733012797431
Energy: 0.6145521800884387
Energy: 0.6210848910099168
Energy: 0.6866986304170467
Energy: 0.4829263298680317
Energy: 0.6866986304170467
Energy: 0.4829969984814202
Energy: 0.6011331543314374
Energy: 0.5148891851296359
Energy: 0.6011331543306744
Energy: 0.6411065820351427
Energy: 0.7001549469551674
Energy: 0.4746688002046709
Energy: 0.7001549469551674
Energy: 0.5288665625052271
Energy: 0.6176017534121792
Energy: 0.47063241258245303
Energy: 0.617601753411416
Energy: 0.6235421862131179
Energy: 0.6668916891103862
Energy: 0.4756879763794317
Energy: 0.6668916891111493
Energy: 0.5535052668127094
Energy: 0.674965512341438
Energy: 0.4687067280278715
Energy: 0.6749655123437273
Energy: 0.7348223811830127
Energy: 0.6842481251981016
Energy: 0.47499522017104123
Energy: 0.6842481251988647
Energy: 0.5288834909437131
Energy: 0.6996492095179621
Energy: 0.4740437044424143
Energy: 0.699649209517199
Energy: 0.5261227296262777
Energy: 0.6337221668956765
Energy: 0.48026028637562523
Energy: 0.633722166891098
Energy: 0.4829422218766723
Energy: 0.6964223187098935
Energy: 0.6225670173086696
Energy: 0.6964223187098935
Energy: 0.5148398954579728
Energy: 0.6946373804143415
Energy: 0.4804963015514283
Energy: 0.6946373804128153
Energy: 0.4749316028303859
Energy: 0.7002233363481217
Energy: 0.6704656258492392
Energy: 0.7002233363473587
Energy: 0.46936637728381386
Energy: 0.6369715954023882
Energy: 0.5249469999802897
Energy: 0.6369715954023882

minimum gb energy = 0.46306305587708346 eV
minimum distance =  2.5095266162747 Angstroms
sigma value = 41


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

Energy: 0.5966317074781341
Energy: 0.5722415156983761
Energy: 0.44747255259424606
Energy: 0.5722415156983761
Energy: 0.6799405384367228
Energy: 0.5670949497062365
Energy: 0.42833050001432965
Energy: 0.5670949497062365
Energy: 0.4378788196227389
Energy: 0.5645030115039923
Energy: 0.8355800694069149
Energy: 0.5645030115039923
Energy: 0.5239928169516855
Energy: 0.5674466607151126
Energy: 0.42850008845729537
Energy: 0.5674466607151126
Energy: 0.42513115376725275
Energy: 0.5783674449279794
Energy: 0.46146072339777516
Energy: 0.578367444925477
Energy: 0.5964012511299518
Energy: 0.5677982210216121
Energy: 0.42832098083762987
Energy: 0.5677982210216121
Energy: 0.42776929484929144
Energy: 0.567485157298356
Energy: 0.6351788341584161
Energy: 0.567485157298356
Energy: 0.4240612812869926
Energy: 0.5065626348038096
Energy: 0.4256932040818377
Energy: 0.5065626348038096
Energy: 0.4301372129708453
Energy: 0.6135302165155324
Energy: 0.6550034726948247
Energy: 0.6135302165155324
Energy: 0.42733019152119456
Energy: 0.5651268262011261
Energy: 0.43859397580549575
Energy: 0.5651268262005004
Energy: 0.42772453741376554
Energy: 0.5674384761682404
Energy: 0.6771363630266627
Energy: 0.5674384761676147
Energy: 0.42177215799476864
Energy: 0.571264393356527
Energy: 0.5973016334494194
Energy: 0.5712643933646597
Energy: 0.43008671762888906
Energy: 0.6141526634086564
Energy: 0.6769578581576126
Energy: 0.6141526634086564
Energy: 0.48883330102922135
Energy: 0.7012525202057254
Energy: 0.43856493819629294
Energy: 0.7012525202050998
Energy: 0.42787053145147036
Energy: 0.5914650523858346
Energy: 0.5783085724310097
Energy: 0.5914650523852089
Energy: 0.5396989685590227
Energy: 0.6213677961237066
Energy: 0.4257252271275212
Energy: 0.6213677961237066
Energy: 0.430168259931186
Energy: 0.6131194816384538
Energy: 0.5396337240093602
Energy: 0.613119481639705
Energy: 0.5292275294631797
Energy: 0.7041118394040756
Energy: 0.4283663674926169
Energy: 0.7041118394040756
Energy: 0.42778690650043455
Energy: 0.5299077804179041
Energy: 0.4246246018115784
Energy: 0.529907780416653
Energy: 0.5106147305758839
Energy: 0.6210843007258473
Energy: 0.4329962340055536
Energy: 0.6210843007264729
Energy: 0.4404152668384731
Energy: 0.6431950181102434
Energy: 0.4279883309194425
Energy: 0.6431950181108689
Energy: 0.6748987160680365
Energy: 0.6869257659562162
Energy: 0.4282331717412067
Energy: 0.6869257659555907
Energy: 0.5990793027197865
Energy: 0.5959149984342085
Energy: 0.4251969627881361
Energy: 0.5959149984342085
Energy: 0.6026454093961399
Energy: 0.6132059395138919
Energy: 0.4325824846656229
Energy: 0.6132059395138919
Energy: 0.44059857114571827
Energy: 0.6716661230254644
Energy: 0.43440812585273053
Energy: 0.6716661230248389
Energy: 0.5835376523719307
Energy: 0.6787399944645962
Energy: 0.4283660729064624
Energy: 0.6787399944645962
Energy: 0.4277844907711381
Energy: 0.6221678589065822
Energy: 0.5312345592643599
Energy: 0.6221678589065822
Energy: 0.4255295525653431
Energy: 0.6132685073286153
Energy: 0.43278608038479727
Energy: 0.6132685073286153
Energy: 0.4301617263747807
Energy: 0.6503308380246008
Energy: 0.5290633392750845
Energy: 0.6503308380246008
Energy: 0.4244699328143433
Energy: 0.633056444438457
Energy: 0.43071338517832647
Energy: 0.6330564444378314
Energy: 0.43333807565506705
Energy: 0.6220846631037815
Energy: 0.5099688495023065
Energy: 0.6220846631037815
Energy: 0.42486345614581983
Energy: 0.6336835314135911
Energy: 0.4435095114181517
Energy: 0.6336835314129654

minimum gb energy = 0.42177215799476864 eV
minimum distance =  2.49815271780355 Angstroms
sigma value = 15


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

Energy: 0.5431364749724967
Energy: 0.6634209076689122
Energy: 0.7543355314109894
Energy: 0.6634209076689122
Energy: 0.6188478445297262
Energy: 0.6021847484253097
Energy: 0.4002502560895055
Energy: 0.6021847484258396
Energy: 0.41139519583881445
Energy: 0.5132884225547838
Energy: 0.4003879488657254
Energy: 0.5132884225526638
Energy: 0.618155945068218
Energy: 0.6002830899867847
Energy: 0.4003294549339764
Energy: 0.6002830899862548
Energy: 0.39842654476007006
Energy: 0.7111432691146944
Energy: 0.6234802524196157
Energy: 0.7111432691141645
Energy: 0.5257000466001883
Energy: 0.6007845612080153
Energy: 0.4004366712082674
Energy: 0.6007845612080153
Energy: 0.3998946139580077
Energy: 0.5177925170459065
Energy: 0.4242821255698358
Energy: 0.5177925170459065
Energy: 0.45142064514946123
Energy: 0.5170198477214625
Energy: 0.4004167825748513
Energy: 0.5170198477219925
Energy: 0.4016528527706056
Energy: 0.666577253979825
Energy: 0.6052648588427157
Energy: 0.666577253979825
Energy: 0.39065341363149275
Energy: 0.633318665826502
Energy: 0.39877149597275907
Energy: 0.6333186658270321
Energy: 0.3999499480956488
Energy: 0.5641802481127624
Energy: 0.6181968408367442
Energy: 0.5641802481117023
Energy: 0.3931984606816317
Energy: 0.5130078954941
Energy: 0.4117084553029795
Energy: 0.5130078952610077
Energy: 0.40151016580303217
Energy: 0.6355018255208651
Energy: 0.6818028137327513
Energy: 0.6355018255213951
Energy: 0.38919050559219026
Energy: 0.663218929221266
Energy: 0.5435081949387813
Energy: 0.6632189292228559
Energy: 0.3999916096084454
Energy: 0.5627732305627711
Energy: 0.701601295626051
Energy: 0.5627732305617111
Energy: 0.46542597165345223
Energy: 0.5131057070789264
Energy: 0.41182413675585233
Energy: 0.5131057070805164
Energy: 0.4015164121121679
Energy: 0.6302959867872969
Energy: 0.6141725682381414
Energy: 0.6302959867872969
Energy: 0.5017227117451383
Energy: 0.6460282453748328
Energy: 0.3988360123523085
Energy: 0.6460282453748328
Energy: 0.40009201767348396
Energy: 0.5653165440540878
Energy: 0.5264493978518618
Energy: 0.5653165440535579
Energy: 0.4829671029041206
Energy: 0.5664392767193217
Energy: 0.4002849263788173
Energy: 0.5664392767187918
Energy: 0.40163829636457815
Energy: 0.5683666821771012
Energy: 0.45441339528284497
Energy: 0.5683666821776313
Energy: 0.47957514804791285
Energy: 0.6427164033582645
Energy: 0.40345811528751563
Energy: 0.6427164033577345
Energy: 0.39993551901077007
Energy: 0.5736559073869187
Energy: 0.39099365570019107
Energy: 0.5736559073874489
Energy: 0.5927542662111852
Energy: 0.565059590675386
Energy: 0.4002084121674184
Energy: 0.565059590675386
Energy: 0.4130040594536142
Energy: 0.5896246737961316
Energy: 0.3972033476532397
Energy: 0.5896246737956017
Energy: 0.6312608446075787
Energy: 0.6214465396706492
Energy: 0.4033657327303374
Energy: 0.6214465396706492
Energy: 0.5445451947898864
Energy: 0.5915097612159941
Energy: 0.40426345444805917
Energy: 0.5915097612159941
Energy: 0.6996299883579591
Energy: 0.5544465004419911
Energy: 0.4003163577351108
Energy: 0.554446500441461
Energy: 0.4130062039111841
Energy: 0.6574605962876663
Energy: 0.3961452635157589
Energy: 0.6574605962876663
Energy: 0.5275983441824801
Energy: 0.636515707272035
Energy: 0.4033858422516916
Energy: 0.636515707272035
Energy: 0.39988939961301967
Energy: 0.6133711779953636
Energy: 0.48306079100175414
Energy: 0.6133711779958935
Energy: 0.5216529728906191
Energy: 0.5571575324492865
Energy: 0.4004717814766494
Energy: 0.5571575324498163
Energy: 0.4015237422452301
Energy: 0.657430026052488
Energy: 0.4817287662524216
Energy: 0.6574300260519579
Energy: 0.39137672463514117
Energy: 0.573152031351348
Energy: 0.40342154507087485
Energy: 0.573152031351348
Energy: 0.39401687733119617
Energy: 0.6120192229454486
Energy: 0.4796602295006545
Energy: 0.6120192229454486
Energy: 0.3912314752570014
Energy: 0.5782449157990307
Energy: 0.4019289551768874
Energy: 0.5782449157990307
Energy: 0.40136794926656927
Energy: 0.6573463347453646
Energy: 0.6048080842838043
Energy: 0.6573463347453646

minimum gb energy = 0.38919050559219026 eV
minimum distance =  2.51297172430431 Angstroms
sigma value = 85


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

Energy: 0.5492449407180656
Energy: 0.6236788889998826
Energy: 0.49211196051865663
Energy: 0.6236788889998826
Energy: 0.6710671503532506
Energy: 0.5380068091416262
Energy: 0.3642385582157037
Energy: 0.5380068091416262
Energy: 0.5306284506357819
Energy: 0.5093642030294031
Energy: 0.41570611488464426
Energy: 0.5093642030284838
Energy: 0.5934869652775023
Energy: 0.5379388186634823
Energy: 0.3642355571567009
Energy: 0.5379388186634823
Energy: 0.4099473206244448
Energy: 0.4971508390826214
Energy: 0.4061970279569721
Energy: 0.4971508390826214
Energy: 0.6588549436660666
Energy: 0.5101966788424359
Energy: 0.36405525135383465
Energy: 0.5101966788424359
Energy: 0.39362053047017553
Energy: 0.47812424549877414
Energy: 0.43988469437427846
Energy: 0.4781242454973952
Energy: 0.4989689517790067
Energy: 0.5468974211617704
Energy: 0.36822861296496545
Energy: 0.5468974211613107
Energy: 0.36749001833455436
Energy: 0.4636778069218403
Energy: 0.47691310371450946
Energy: 0.4636778069213806
Energy: 0.43155817844921496
Energy: 0.4747218179188963
Energy: 0.39405246613312456
Energy: 0.47472181791981555
Energy: 0.3655706858157803
Energy: 0.5381089936624184
Energy: 0.6405332581934747
Energy: 0.5381089936624184
Energy: 0.3771884369371255
Energy: 0.5782816668646967
Energy: 0.41040826340887987
Energy: 0.5782816668651565
Energy: 0.36377924003744716
Energy: 0.4639249624280601
Energy: 0.6510367384363471
Energy: 0.46392496242851966
Energy: 0.3561691340322725
Energy: 0.5093384543775799
Energy: 0.5309600723936745
Energy: 0.5093384543771202
Energy: 0.36542722349822054
Energy: 0.5380626641863545
Energy: 0.720701667912635
Energy: 0.5380626641858949
Energy: 0.350792180999592
Energy: 0.5996569154087292
Energy: 0.5069990583174664
Energy: 0.5996569154091889
Energy: 0.3638391685916285
Energy: 0.48282484308870405
Energy: 0.6891494246176487
Energy: 0.4828248430891637
Energy: 0.3962783554931097
Energy: 0.5096840893331493
Energy: 0.5309617642816914
Energy: 0.50968408933223
Energy: 0.36549410447178665
Energy: 0.5123420823011139
Energy: 0.6563542478514364
Energy: 0.5123420823006543
Energy: 0.4335127028633912
Energy: 0.6194808961448359
Energy: 0.4103405461297322
Energy: 0.6194808961439168
Energy: 0.3644210391839114
Energy: 0.4645462949373154
Energy: 0.5828708781359493
Energy: 0.46454629493685573
Energy: 0.4588003834150201
Energy: 0.5198840031704762
Energy: 0.3941094855900708
Energy: 0.5198840031700167
Energy: 0.36980165269430465
Energy: 0.52056545744273
Energy: 0.49927267927621344
Energy: 0.5205654574436492
Energy: 0.46381020506201903
Energy: 0.5819642136970916
Energy: 0.3683280424808979
Energy: 0.5819642136980109
Energy: 0.3953934532679258
Energy: 0.46699985604691746
Energy: 0.4314935222131227
Energy: 0.4669998560478368
Energy: 0.6409323535802044
Energy: 0.5104033098685066
Energy: 0.36570854252027246
Energy: 0.5104033098689663
Energy: 0.4116716375267206
Energy: 0.5517737696064218
Energy: 0.3792162993252283
Energy: 0.5517737696059621
Energy: 0.5665703080056583
Energy: 0.5698268992068892
Energy: 0.3641970358051412
Energy: 0.5698268992059699
Energy: 0.5322510322553131
Energy: 0.5275116131593279
Energy: 0.38356441298449495
Energy: 0.5275116131588683
Energy: 0.7195062301582948
Energy: 0.5103890177439538
Energy: 0.36555821538865874
Energy: 0.5103890177439538
Energy: 0.5509032327107332
Energy: 0.5726279566183309
Energy: 0.3526509208327062
Energy: 0.5726279566187906
Energy: 0.666415767003369
Energy: 0.572067368985548
Energy: 0.3641997801187614
Energy: 0.5720673689860076
Energy: 0.5322438343841119
Energy: 0.5276665661844844
Energy: 0.355280493179041
Energy: 0.5276665661840247
Energy: 0.6576800245454171
Energy: 0.5214084274336809
Energy: 0.36564766812408916
Energy: 0.5214084274346
Energy: 0.41158394883125937
Energy: 0.597789145100231
Energy: 0.43378541901202733
Energy: 0.5977891450997713
Energy: 0.5127470071135142
Energy: 0.5606258034242261
Energy: 0.3655375584332115
Energy: 0.5606258034242261
Energy: 0.39533508878959994
Energy: 0.5102797371297567
Energy: 0.46220146361738473
Energy: 0.5102797371302165
Energy: 0.4992090989662607
Energy: 0.5290790123981967
Energy: 0.3685428602673956
Energy: 0.5290790123986564
Energy: 0.3697549333196317
Energy: 0.5840800005485713
Energy: 0.4632149040152564
Energy: 0.5840800005490311
Energy: 0.38600077958450363
Energy: 0.5389327488226681
Energy: 0.3974238091570443
Energy: 0.5389327488231278
Energy: 0.3640020040953722
Energy: 0.5101349589342399
Energy: 0.5761737611563812
Energy: 0.5101349589346995
Energy: 0.3836099994219148
Energy: 0.5368700514519451
Energy: 0.41358798305867045
Energy: 0.5368700514533241
Energy: 0.3653636472217186
Energy: 0.5609623144992244
Energy: 0.5671456020292228
Energy: 0.5609623145001438

minimum gb energy = 0.350792180999592 eV
minimum distance =  2.55512809817174 Angstroms
sigma value = 113


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

Energy: 0.011721851261494705
Energy: 0.01254696619895867
Energy: 0.6397492398813539
Energy: 0.012546966199312023
Energy: 0.6392221417932354
Energy: 0.1939372664438123
Energy: 0.1938281649515087
Energy: 0.1939372664438123
Energy: 0.011721851261141352
Energy: 0.01254696619895867
Energy: 0.6397699562374319
Energy: 0.012546966199312023
Energy: 0.6392221417929017
Energy: 0.1939372664434589
Energy: 0.19382306823662254
Energy: 0.1939372664434589
Energy: 0.011721851261494705
Energy: 0.01254696619895867
Energy: 0.6397704227223225
Energy: 0.012546966199312023
Energy: 0.6392221417929017
Energy: 0.1939372664434589
Energy: 0.19382310594444954
Energy: 0.1939372664434589

minimum gb energy = 0.011721851261141352 eV
minimum distance =  2.85511366051342 Angstroms
sigma value = 1