Model name: model_name=Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.082927376031875
cohesive_energy=6.489023218313714
mass=95.95
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: 0.017248184483217847
Energy: 0.017505308414245548
Energy: 2.3897413444020636
Energy: 0.017505308414245548
Energy: 0.017505308414245548
Energy: 0.01767895078576449
Energy: 0.01213472871158474
Energy: 0.01767895078576449
Energy: 2.389741344402878
Energy: 0.01213472871158474
Energy: 0.010972401149649034
Energy: 0.01213472871158474
Energy: 0.017505308414245548
Energy: 0.01767895078576449
Energy: 0.01213472871158474
Energy: 0.01767895078576449

minimum gb energy = 0.010972401149649034 eV
minimum distance =  2.6668269807982 Angstroms
sigma value = 1


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

Energy: 0.5203255689592149
Energy: 0.060198324935870774
Energy: 0.14985752649719064
Energy: 0.060198324935870774
Energy: 0.44277543530191504
Energy: -0.06550033976835216
Energy: -0.006906211734867609
Energy: -0.06550033976939808
Energy: 0.5950632449327415
Energy: 0.06574125963409251
Energy: -0.04411923690427215
Energy: 0.06574125963304661
Energy: 0.3023139844755381
Energy: 0.09816841124618256
Energy: -0.003623717003678381
Energy: 0.09816841124722847
Energy: 0.29859301565643687
Energy: -0.05049372936973686
Energy: 0.38326512242847144
Energy: -0.05049372936659915
Energy: 0.5279313875934104
Energy: -0.014574005547615829
Energy: -0.030361676751871947
Energy: -0.014574005547615829
Energy: 0.19329845059158407
Energy: -0.022211585228171463
Energy: -0.059628626571766256
Energy: -0.022211581971661183
Energy: -0.015817116309353237
Energy: -0.053750510108282745
Energy: 0.35816906332613185
Energy: -0.05375051010723684
Energy: 0.1767190695543369
Energy: -0.055191933605977635
Energy: 0.31311335833232384
Energy: -0.05519193360702355
Energy: 0.4919624154139359
Energy: -0.028703897730026705
Energy: 0.25141988683191124
Energy: -0.028703897728980802
Energy: -0.031179227664556268
Energy: 0.2137865611114446
Energy: 0.32614735276778617
Energy: 0.21378656110935276
Energy: -0.019524494038869883
Energy: -0.06706940768458326
Energy: 0.8633891371586754
Energy: -0.06706940768772097
Energy: 0.07877693283922867
Energy: 0.1644064068385294
Energy: 0.2460486609804116
Energy: 0.1644064068364376
Energy: 0.02605774462001906
Energy: -0.044370624847797385
Energy: 0.2440009001584945
Energy: -0.044370624845705586
Energy: 0.023785921091811043
Energy: 0.10803207024550933
Energy: 0.5031897080662845
Energy: 0.10803207024760113
Energy: 0.027445190285927817
Energy: 0.10845808041722475
Energy: 0.4940929113945714
Energy: 0.10845808041827065
Energy: 0.07416292674425269
Energy: -0.06465662521197373
Energy: 0.24398045108670513
Energy: -0.06465662520988193
Energy: 0.0845977126122208
Energy: 0.3605597197191473
Energy: 0.2469330110215333
Energy: 0.36055971971810136
Energy: -0.022434668613220535
Energy: -0.06717449225397015
Energy: 0.807425854621358
Energy: -0.06717449225397015
Energy: -0.018466120459710775
Energy: 0.19495117304614604
Energy: 0.1354787700013226
Energy: 0.19495117304614604
Energy: 0.49298168309729884
Energy: 0.2577673532504246
Energy: 0.2354926254571955
Energy: 0.2577673532535623
Energy: 0.1857033248777185
Energy: -0.019350889199038147
Energy: 0.3540054961125365
Energy: -0.019350889199038147
Energy: 0.22173212873064538
Energy: -0.05445737429196269
Energy: 0.23658734935515474
Energy: -0.054457374290916793
Energy: 0.3255552717807825
Energy: 0.5364391092068249
Energy: -0.059490259452320685
Energy: 0.5364391092057791
Energy: 0.5302262834980581
Energy: -0.014780507688095298
Energy: -0.011546496638638474
Energy: -0.014780507692278903
Energy: 0.296957305191442
Energy: -0.028903676286822777
Energy: 0.3824737712410959
Energy: -0.028903676288914576
Energy: 0.3022343983016884
Energy: 0.055289835256055284
Energy: -0.004506959603537728
Energy: 0.05528983525814708
Energy: 0.7784048305091541
Energy: 0.01891075035710667
Energy: -0.03915009806775482
Energy: 0.01891075035710667
Energy: 0.4442474604749236
Energy: -0.06596923210854984
Energy: -0.006769932258813294
Energy: -0.06596923210750393
Energy: 0.2755773803157928
Energy: -0.03228982549561103
Energy: -0.043803173691238415
Energy: -0.03228982549456513
Energy: 0.4426738865451687
Energy: -0.07493658147198856
Energy: -0.0029177704153975316
Energy: -0.07493658145316236
Energy: 0.5898981536954963
Energy: -0.014474825851629843
Energy: -0.02077147673208825
Energy: -0.014474825851629843
Energy: 0.2995414733120054
Energy: 0.21497042459587565
Energy: 0.04323727693070538
Energy: 0.21497042459587565

minimum gb energy = -0.07493658147198856 eV
minimum distance =  2.47111599376172 Angstroms
sigma value = 1


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

Energy: 0.9830417832231099
Energy: 0.3811905524083422
Energy: 0.37674684291675936
Energy: 0.38119055241072725
Energy: 0.49181278601581696
Energy: -0.017872527377129376
Energy: 0.04416825653047992
Energy: -0.017872527293707776
Energy: 0.3902361934407732
Energy: 0.2004635806925527
Energy: 0.017929142310989066
Energy: 0.2004635806937452
Energy: -0.044971976743862406
Energy: 0.10019353437364585
Energy: 0.04587361082098652
Energy: 0.10019353437245332
Energy: -0.045455942462598986
Energy: 0.29494323029055514
Energy: 0.47168927910299874
Energy: 0.29494323029055514
Energy: 0.4513009395008521
Energy: 0.1378535807796897
Energy: 0.24976171419983217
Energy: 0.1378535807796897
Energy: -0.0065968394612571386
Energy: 0.09512060988794582
Energy: -0.006374063705596859
Energy: 0.09512060961019905
Energy: -0.0048993271027872026
Energy: -0.00539950199667282
Energy: 0.7392048657488044
Energy: -0.00539950199667282
Energy: 0.0014416717791770233
Energy: 0.020001577048508166
Energy: 0.3898768383779076
Energy: 0.02000157703777556
Energy: 0.07034754664064329
Energy: -0.019532189143866955
Energy: -0.04552114696144271
Energy: -0.019532189143866955
Energy: 0.0182685364827558
Energy: -0.007383091212271842
Energy: 0.38962211216527637
Energy: -0.007383091213464354
Energy: 0.14878960608045694
Energy: -0.006760142994373237
Energy: 0.8129470644623695
Energy: -0.006760142994373237
Energy: 0.04406066638320095
Energy: 0.24031470413873726
Energy: 0.3724654131320372
Energy: 0.2403147041411223
Energy: 0.04406066638320095
Energy: 0.23821149838609906
Energy: 0.3725386931532641
Energy: 0.23821149815486023
Energy: 0.14868177461996435
Energy: -0.006790412618354477
Energy: 0.8126200089379834
Energy: -0.006790412618354477
Energy: 0.018283614171439647
Energy: -0.007229891882221349
Energy: 0.3895823261855844
Energy: -0.007229891881028839
Energy: 0.07034754664422081
Energy: -0.01985213338200002
Energy: -0.045474850272099784
Energy: -0.019852133380807508
Energy: 0.0013399837775589947
Energy: 0.02024555425891708
Energy: 0.3898798134101373
Energy: 0.02024555425891708
Energy: -0.003897158555277986
Energy: -0.005444231549132809
Energy: 0.7392048657464195
Energy: -0.005444231550325321
Energy: -0.0067250802650942005
Energy: 0.09549629699193878
Energy: -0.006372476740012025
Energy: 0.0954962970479868
Energy: 0.4512675574472055
Energy: 0.13803816926824006
Energy: 0.24999613018953723
Energy: 0.13803816926943255
Energy: -0.0454272575906844
Energy: 0.2943857883206008
Energy: 0.4716892791161164
Energy: 0.2943857883206008
Energy: -0.04543247795361236
Energy: 0.10038602118810201
Energy: 0.04587361082098652
Energy: 0.10038602118810201
Energy: 0.3906006985777704
Energy: 0.20042263354949996
Energy: 0.017953355185667194
Energy: 0.20042263354949996
Energy: 0.4913082242452448
Energy: 0.13773259139695154
Energy: 0.04416825653167244
Energy: 0.1377325913981441
Energy: 0.9830417832231099
Energy: 0.38119055241072725
Energy: 0.37674684403121556
Energy: 0.3811905524083422
Energy: 0.49181278601581696
Energy: -0.017872526024225073
Energy: 0.04416825653286495
Energy: -0.017872526135074437
Energy: 0.3902361934407732
Energy: 0.20046358069493775
Energy: 0.017929142310989066
Energy: 0.20046358069493775
Energy: -0.044971976742669895
Energy: 0.10019353437245332
Energy: 0.04587361082098652
Energy: 0.10019353437245332

minimum gb energy = -0.04552114696144271 eV
minimum distance =  2.5677382250541 Angstroms
sigma value = 25


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

Energy: 0.6557379294704454
Energy: 0.2857463723273033
Energy: 0.33489538086751464
Energy: 0.2857463723273033
Energy: 0.6729938141298177
Energy: 0.2464871688091447
Energy: 0.2754325086960544
Energy: 0.2464871688091447
Energy: 0.7620974166748427
Energy: 0.20743758380316352
Energy: 0.20713967016393142
Energy: 0.20743758380454982
Energy: 0.5194807538755849
Energy: 0.2308764786990122
Energy: 0.2430019893990297
Energy: 0.23087647869623965
Energy: 0.5100722340377682
Energy: 0.23547804297772604
Energy: 0.5681777476020453
Energy: 0.23547804297772604
Energy: 0.7293557780716409
Energy: 0.23901423465207333
Energy: 0.25507870934170174
Energy: 0.23901423465207333
Energy: 0.24397905254912008
Energy: 0.2564165184739009
Energy: 0.2531917434082499
Energy: 0.25641651847115987
Energy: 0.1747151616522781
Energy: 0.19194989184661793
Energy: 1.0675696198136813
Energy: 0.19194989184800423
Energy: 0.34311447795083866
Energy: 0.36255393181501955
Energy: 0.5083962716110629
Energy: 0.36255393181501955
Energy: 0.2785764389128849
Energy: 0.2571165147354976
Energy: 0.6735156076507374
Energy: 0.2571165147354976
Energy: 0.230177356580031
Energy: 0.36147519911699455
Energy: 0.6778420513440195
Energy: 0.36147519911699455
Energy: 0.2580639973463926
Energy: 0.24321489260835685
Energy: 0.6756368447353619
Energy: 0.24321489260835685
Energy: 0.16111943619492095
Energy: 0.25706405774093016
Energy: 0.6746839549549918
Energy: 0.2570640577395439
Energy: 0.32071288541611126
Energy: 0.36160082119754916
Energy: 0.5150456105003876
Energy: 0.36160082120309417
Energy: 0.21633189629131855
Energy: 0.1919775606061739
Energy: 1.0676654411526298
Energy: 0.1919775606061739
Energy: 0.26361835392391153
Energy: 0.23180801693908548
Energy: 0.23817114655319854
Energy: 0.231808016941858
Energy: 1.0454958814359063
Energy: 0.23871039974644626
Energy: 0.2401368055025573
Energy: 0.2387103997478325
Energy: 0.5039563957575549
Energy: 0.24765812745587137
Energy: 0.5676571636879392
Energy: 0.24765812745448507
Energy: 0.5174163000148266
Energy: 0.23084571551610658
Energy: 0.3479915318436549
Energy: 0.23084571551610658
Energy: 0.5673378781296631
Energy: 0.2418244057061788
Energy: 0.2072683709781033
Energy: 0.2418244057061788
Energy: 0.6732765507045004
Energy: 0.247063862063831
Energy: 0.26169459044985566
Energy: 0.24706386206521724
Energy: 0.5655911907736814
Energy: 0.30347965704057606
Energy: 0.29552985626434275
Energy: 0.30347965704057606
Energy: 0.6701561921654113
Energy: 0.37960263837976377
Energy: 0.3383242468276485
Energy: 0.37960263837699126
Energy: 0.8409797439422839
Energy: 0.20739834491592798
Energy: 0.2072081426859688
Energy: 0.20739834491592798
Energy: 0.5312005943833298
Energy: 0.23151027131698768
Energy: 0.23585182752977987
Energy: 0.23151027131837393

minimum gb energy = 0.16111943619492095 eV
minimum distance =  2.56708991825886 Angstroms
sigma value = 9


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

Energy: 0.2526551708065018
Energy: 0.25121986141345637
Energy: 0.6003769065430867
Energy: 0.2512198614299935
Energy: 0.2236001327829364
Energy: 0.07902112482490024
Energy: 0.07845984958275774
Energy: 0.07902112482490024
Energy: 0.4511595593492925
Energy: 0.4094426108374534
Energy: 0.3376713590005498
Energy: 0.4094426108374534
Energy: 0.07869865369314591
Energy: 0.07912738279020888
Energy: 0.07901363288198696
Energy: 0.07912738279020888
Energy: 0.0792437020634715
Energy: 0.07925692836190545
Energy: 0.32798626598615344
Energy: 0.07925692836190545
Energy: 1.0383450374672298
Energy: 0.07902749049876244
Energy: 0.0787593321821592
Energy: 0.07902749050206986
Energy: 0.0788360728977172
Energy: 0.07913027695621834
Energy: 0.07885690464599071
Energy: 0.07913027695621834
Energy: 0.33754026566771744
Energy: 0.07898766083169989
Energy: 0.8799101464402337
Energy: 0.07898766082839245
Energy: 0.404216365332751
Energy: 0.07745987775887019
Energy: 0.23560237778388515
Energy: 0.07745987775725405
Energy: 0.4038888379002348
Energy: 0.25374521730805266
Energy: 0.2353511330256909
Energy: 0.2537452173097064
Energy: 0.07862805019781234
Energy: 0.21768709606355977
Energy: 0.7968503036542002
Energy: 0.2176870960652135
Energy: 0.4106331920022671
Energy: 0.12854489095522273
Energy: 0.07856371531328929
Energy: 0.12854489095191526
Energy: 0.404993993590156
Energy: 0.07875720498313275
Energy: 0.07854881846689121
Energy: 0.07875720498313275
Energy: 0.07901098273743382
Energy: 0.3825456601186005
Energy: 0.07902123330513147
Energy: 0.3825456601186005
Energy: 0.07856588117390122
Energy: 0.0787696742820557
Energy: 0.4049939935918097
Energy: 0.0787696742820557
Energy: 0.07858021781155423
Energy: 0.13185549008318143
Energy: 0.4100369626469212
Energy: 0.13185549008979627
Energy: 0.7966812377627353
Energy: 0.2144630810663307
Energy: 0.07867277381809008
Energy: 0.21446308108617526
Energy: 0.23537966343215666
Energy: 0.253490655200727
Energy: 0.4038888379002348
Energy: 0.2534906554949381
Energy: 0.2362255993024102
Energy: 0.21731412620506427
Energy: 0.404216365332751
Energy: 0.21731412620341056
Energy: 0.8820099470998316
Energy: 0.0790096449660848
Energy: 0.3374838363929965
Energy: 0.07900964496443108
Energy: 0.07905758075630522
Energy: 0.07911871646830343
Energy: 0.07871490948059905
Energy: 0.07911871646995715

minimum gb energy = 0.07745987775725405 eV
minimum distance =  2.56475957218143 Angstroms
sigma value = 25


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

Energy: 0.3732672529522184
Energy: 0.3092429741450348
Energy: 0.6603450303390828
Energy: 0.3092429741450348
Energy: 0.5514114926337105
Energy: 0.5358168529214928
Energy: 0.4166346668326892
Energy: 0.5358168529214928
Energy: 0.537081812321689
Energy: 0.49772196833727894
Energy: 0.34179395043435434
Energy: 0.49772196833727894
Energy: 0.3947588912128395
Energy: 0.5060369695112635
Energy: 0.4805481308750319
Energy: 0.5060369695092183
Energy: 0.4255286786117537
Energy: 0.3002397996479444
Energy: 0.5756285214763737
Energy: 0.3002397996499896
Energy: 0.5774240820373706
Energy: 0.43090357490670284
Energy: 0.46271760478064916
Energy: 0.43090357490670284
Energy: 0.7303203324694999
Energy: 0.4483255232492694
Energy: 0.40304426888397454
Energy: 0.4483255232492694
Energy: 0.4477496467917216
Energy: 0.41382471960351713
Energy: 0.7099028508952359
Energy: 0.41382471960351713
Energy: 0.41434538267547677
Energy: 0.3982589337498229
Energy: 0.4039346474991238
Energy: 0.3982589337498229
Energy: 0.632804332929277
Energy: 0.3982406980196164
Energy: 0.4011051733151387
Energy: 0.3982406980196164
Energy: 0.47363758090493285
Energy: 0.47645683978859804
Energy: 0.589169949059
Energy: 0.47645683978859804
Energy: 0.4064320916367867
Energy: 0.36997891509719727
Energy: 0.423907373755126
Energy: 0.36997891509719727
Energy: 0.5077553284577238
Energy: 0.4624551639203424
Energy: 0.39810802011590773
Energy: 0.4624551639203424
Energy: 0.8157065140979308
Energy: 0.4703356166279566
Energy: 0.6818353470313498
Energy: 0.4703356166279566
Energy: 0.8151887428828893
Energy: 0.29885002844805286
Energy: 0.6792972339919819
Energy: 0.29885002844805286
Energy: 0.5898814858196286
Energy: 0.40542879804080456
Energy: 0.39816397946435145
Energy: 0.4054287980428497
Energy: 0.4071448249808741
Energy: 0.4296511079981104
Energy: 0.3984826073121444
Energy: 0.42965110800015555

minimum gb energy = 0.29885002844805286 eV
minimum distance =  2.55952937534748 Angstroms
sigma value = 17


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

Energy: 0.695005792127801
Energy: 0.21104487880129497
Energy: 0.5472887483374878
Energy: 0.21104487880013673
Energy: 0.45026760195406684
Energy: 0.40452170583193964
Energy: 0.3039865984622038
Energy: 0.40452170583193964
Energy: 0.36147711719680636
Energy: 0.2844746609009106
Energy: 0.20225507346124447
Energy: 0.2844746608997524
Energy: 0.26296377901460305
Energy: 0.29804566131064747
Energy: 0.3518872328152668
Energy: 0.2980456613118057
Energy: 0.2825315985090984
Energy: 0.33195711666964706
Energy: 0.48696002069497374
Energy: 0.33195711667196365
Energy: 0.5539481972109009
Energy: 0.17512459738595468
Energy: 0.29799606045197485
Energy: 0.17512459738479638
Energy: 0.44914643967679124
Energy: 0.29496065798021803
Energy: 0.4388344684901897
Energy: 0.29496065797905974
Energy: 0.2879625252675046
Energy: 0.28944688752054754
Energy: 0.682587027176486
Energy: 0.28944688752054754
Energy: 0.23976460497623384
Energy: 0.24071523328915134
Energy: 0.23867902723545684
Energy: 0.24071523328915134
Energy: 0.587104902550401
Energy: 0.3981188306418414
Energy: 0.3423070367725219
Energy: 0.3981188306418414
Energy: 0.26020716157624424
Energy: 0.3850879372380554
Energy: 0.40093714109588907
Energy: 0.3850879372368971
Energy: 0.2835736810955066
Energy: 0.2917887614309442
Energy: 0.38387587169349635
Energy: 0.29178876142978594
Energy: 0.6333878001732879
Energy: 0.3291548758021304
Energy: 0.229718401551688
Energy: 0.32915487580328867
Energy: 0.2603913014642821
Energy: 0.314126205711982
Energy: 0.3807677284714436
Energy: 0.314126205711982
Energy: 0.2585422221901158
Energy: 0.24705626044070908
Energy: 0.5958002154450331
Energy: 0.24705626044070908
Energy: 0.46512071396309496
Energy: 0.27448234224594387
Energy: 0.24013392525887267
Energy: 0.2744823422447856
Energy: 0.23725346978665177
Energy: 0.5003006587320213
Energy: 0.24038354879734913
Energy: 0.5003006587297048
Energy: 0.22448030999660154
Energy: 0.3160129195980771
Energy: 0.6386914018847593
Energy: 0.3160129195980771
Energy: 0.44896945925275134
Energy: 0.1917684847290497
Energy: 0.3867147994461929
Energy: 0.1917684847290497
Energy: 0.556132199827476
Energy: 0.17554264359544292
Energy: 0.4627132022280511
Energy: 0.1755426435966012
Energy: 0.2070566243625446
Energy: 0.25310023523322706
Energy: 0.4266286838278713
Energy: 0.2531002352297523
Energy: 0.2064472914425852
Energy: 0.28897303530353285
Energy: 0.23938732293122647
Energy: 0.2889730353023746
Energy: 0.4515879488781062
Energy: 0.2511673462860906
Energy: 0.239551080079469
Energy: 0.2511673462860906
Energy: 0.47259868288874046
Energy: 0.463941286218802
Energy: 0.6388392883707399
Energy: 0.4639412862199603
Energy: 0.6198774058255409
Energy: 0.5902882642456245
Energy: 0.6395432497460792
Energy: 0.5902882642479411
Energy: 0.5263735655340056
Energy: 0.24252323057514288
Energy: 0.2394416882326801
Energy: 0.2425232305739846
Energy: 0.20645400069488898
Energy: 0.3245231191277474
Energy: 0.23927411998080067
Energy: 0.3245231191265891
Energy: 0.20733127678968447
Energy: 0.3635286552219619
Energy: 0.5300223394367927
Energy: 0.3635286552208036
Energy: 0.5980573004159778
Energy: 0.433806566982511
Energy: 0.46653613299861346
Energy: 0.4338065669836693
Energy: 0.3608243009489369
Energy: 0.1917472925770026
Energy: 0.29733256056911506
Energy: 0.1917472925770026

minimum gb energy = 0.17512459738479638 eV
minimum distance =  2.54861660180058 Angstroms
sigma value = 53


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

Energy: 0.503805202564773
Energy: 0.5007277717719616
Energy: 0.708379463600103
Energy: 0.5007277717746281
Energy: 0.4569610400072575
Energy: 0.5381828190968815
Energy: 0.4984335036689688
Energy: 0.5381828190968815
Energy: 0.4560027806756618
Energy: 0.3095835376898024
Energy: 0.310254034051251
Energy: 0.30958353769513547
Energy: 0.3104575856676804
Energy: 0.3096069890666994
Energy: 0.4571613939224605
Energy: 0.30960698906936596
Energy: 0.4984396426323964
Energy: 0.5382030255265502
Energy: 0.45697976663560563
Energy: 0.5382030255265502
Energy: 1.338700709544481
Energy: 0.5007277717746281
Energy: 0.5038052025621064
Energy: 0.5007277717746281
Energy: 0.4984335036689688
Energy: 0.5381828190968815
Energy: 0.4569610400072575
Energy: 0.5381828190968815
Energy: 0.3102540340485844
Energy: 0.30958353769246894
Energy: 0.456002781259391
Energy: 0.30958353769246894
Energy: 0.45716139391712746
Energy: 0.30960698906936596
Energy: 0.31045758566501386
Energy: 0.3096069890666994
Energy: 0.4569797666329391
Energy: 0.5382030255265502
Energy: 0.49843964263506285
Energy: 0.5382030255265502
Energy: 0.503805202564773
Energy: 0.5007277717719616
Energy: 0.7083794638373035
Energy: 0.5007277717719616
Energy: 0.4569610400072575
Energy: 0.5381828190968815
Energy: 0.4984335036689688
Energy: 0.5381828190968815
Energy: 0.45600278032386077
Energy: 0.30958353769513547
Energy: 0.3102540340539175
Energy: 0.30958353769246894

minimum gb energy = 0.3095835376898024 eV
minimum distance =  2.57189536151991 Angstroms
sigma value = 9


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

Energy: 0.23793658632548265
Energy: 0.446337377489047
Energy: 0.6035717220171729
Energy: 0.446337377489047
Energy: 0.48912130261954234
Energy: 0.19506158033907067
Energy: 0.32819626643276517
Energy: 0.19506158033907067
Energy: 0.1097657989371764
Energy: 0.062551341403854
Energy: 0.06100319567396283
Energy: 0.06255134140188015
Energy: 0.11975344990514533
Energy: 0.04324438067654098
Energy: 0.1098579624234918
Energy: 0.04324438067555405
Energy: 0.1894503726936218
Energy: 0.20211345347318194
Energy: 0.5270643268322804
Energy: 0.20211345347318194
Energy: 0.2931736257851211
Energy: 0.20237158472128008
Energy: 0.2020699807686489
Energy: 0.20237158472128008
Energy: 0.25794253100836945
Energy: 0.1825002767214138
Energy: 0.4323858650076532
Energy: 0.18250027672240077
Energy: 0.08764518634986754
Energy: 0.036186430144189645
Energy: 0.04027383533661299
Energy: 0.036186430142215786
Energy: 0.32885456494609316
Energy: 0.061941979568092484
Energy: 0.10123819208143434
Energy: 0.06194197957006635
Energy: 0.17564727509379777
Energy: 0.21365941860107318
Energy: 0.17640546115810216
Energy: 0.2136594186020601
Energy: 0.08487154898950933
Energy: 0.17723204997249345
Energy: 0.17742309457972322
Energy: 0.17723204997249345
Energy: 0.5307328121385463
Energy: 0.2583081957705831
Energy: 0.07299996896884733
Energy: 0.2583081957705831
Energy: 0.09335981242459768
Energy: 0.06579443633868245
Energy: 0.054968739711885706
Energy: 0.06579443633868245
Energy: 0.2139530568210411
Energy: 0.04288529372653533
Energy: 0.3500442469979394
Energy: 0.04288529373048305
Energy: 0.18923650432824385
Energy: 0.398030619187672
Energy: 0.05569060451508552
Energy: 0.398030619187672
Energy: 0.5582844444446315
Energy: 0.05648971147350707
Energy: 0.05507556249160501
Energy: 0.05648971147350707
Energy: 0.17658680049505598
Energy: 0.24412322855319252
Energy: 0.5534505051427936
Energy: 0.24412322855220558
Energy: 0.08482955264894332
Energy: 0.3834878701643482
Energy: 0.17614498970315937
Energy: 0.3834878701653351
Energy: 0.4578217326533091
Energy: 0.140431014075369
Energy: 0.0847432997100656
Energy: 0.14043101407635591
Energy: 0.03676049059331144
Energy: 0.15169768161275748
Energy: 0.10096054860642754
Energy: 0.1516976816265745
Energy: 0.08554600395319881
Energy: 0.03775913831861493
Energy: 0.5150205332985968
Energy: 0.03775913831664108
Energy: 0.5251393404442102
Energy: 0.27962371339147674
Energy: 0.20839895797243882
Energy: 0.2796237133895028
Energy: 0.2956174473115984
Energy: 0.3852606154798516
Energy: 0.20199177553056688
Energy: 0.3852606154778777
Energy: 0.10143786367686321
Energy: 0.2364306211771968
Energy: 0.46420745670502644
Energy: 0.2364306211762099
Energy: 0.11967758798260145
Energy: 0.31302909208031976
Energy: 0.06034360162346923
Energy: 0.31302909208031976
Energy: 0.5551621282673244
Energy: 0.023364223083825034
Energy: 0.03822759745670384
Energy: 0.023364223083825034
Energy: 0.3286843943053192
Energy: 0.20672642295666233
Energy: 0.5461393232993105
Energy: 0.2067264229537015
Energy: 0.23376157132320272
Energy: 0.24641250816241797
Energy: 0.5460226689966223
Energy: 0.24641250815945717
Energy: 0.495160648755161
Energy: 0.19977453206901355
Energy: 0.03768615728728764
Energy: 0.19977453206802664
Energy: 0.11954012278022927
Energy: 0.40950577495146234
Energy: 0.0609624994372649
Energy: 0.40950577495146234
Energy: 0.126345667507766
Energy: 0.08203815113483903
Energy: 0.5082672105019697
Energy: 0.08203815113483903
Energy: 0.29585657787828934
Energy: 0.2428222058306289
Energy: 0.20256553477623826
Energy: 0.24282220583161584
Energy: 0.5618516928387581
Energy: 0.244411355490762
Energy: 0.20419798561699057
Energy: 0.244411355490762
Energy: 0.047650748643466974
Energy: 0.0384629254602536
Energy: 0.5154261848363411
Energy: 0.03846292546124053
Energy: 0.036598107004567317
Energy: 0.3772288786430402
Energy: 0.1009199153325598
Energy: 0.3772288786420533

minimum gb energy = 0.023364223083825034 eV
minimum distance =  2.52083528228364 Angstroms
sigma value = 73


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

Energy: 0.6357781638150943
Energy: 0.6359607095460681
Energy: 0.8154594434844284
Energy: 0.6359607095445022
Energy: 0.7848046882410549
Energy: 0.5252616281218258
Energy: 0.533682365686529
Energy: 0.5252616281139966
Energy: 0.4574364295860051
Energy: 0.3914764525416191
Energy: 0.49425361338388557
Energy: 0.39147645254318497
Energy: 0.45692046647870627
Energy: 0.4055978611781484
Energy: 0.600402158076983
Energy: 0.4055978611765825
Energy: 0.6078932108633975
Energy: 0.5487508540821403
Energy: 0.5882751318641578
Energy: 0.5487508540868379
Energy: 0.6066976834249208
Energy: 0.5890342330640047
Energy: 0.4588317043461832
Energy: 0.5890342330655706
Energy: 0.5323246220266783
Energy: 0.5963220266999426
Energy: 0.7569511659012065
Energy: 0.5963220266983769
Energy: 0.4053585261444443
Energy: 0.4054748431895933
Energy: 0.45892818250513573
Energy: 0.4054748431880275
Energy: 0.8577410887090411
Energy: 0.3924724627877587
Energy: 0.6258070141046438
Energy: 0.3924724627877587
Energy: 0.406308514778536
Energy: 0.5143794512670744
Energy: 0.6250324223719105
Energy: 0.5143794512655087
Energy: 0.4054889931002732
Energy: 0.4064440100122619
Energy: 0.45886579600533045
Energy: 0.4064440100122619
Energy: 0.947771873822745
Energy: 0.7955127007146416
Energy: 0.5875500476874531
Energy: 0.7955127007162074
Energy: 0.6093114701584863
Energy: 0.5884898359692139
Energy: 0.45928540433277865
Energy: 0.588489835967648
Energy: 0.5527232922870757
Energy: 0.458091536237999
Energy: 0.9379857600965248
Energy: 0.458091536237999
Energy: 0.45747135588405485
Energy: 0.5308464275573327
Energy: 0.43259766282904044
Energy: 0.5308464275573327
Energy: 0.6845603286422419
Energy: 0.3928956214935747
Energy: 0.5143787675900485
Energy: 0.3928956214935747
Energy: 0.6303060415098246
Energy: 0.6991250450406291
Energy: 1.0138899547421691
Energy: 0.6991250450406291
Energy: 0.6301029575210642
Energy: 0.6981712284399146
Energy: 1.0141474569219746
Energy: 0.6981712284399146
Energy: 0.9566159766427211
Energy: 0.3925531936852142
Energy: 0.5244163636340936
Energy: 0.3925531936852142
Energy: 0.45816643340521035
Energy: 0.8123426072161659
Energy: 0.49464462845779456
Energy: 0.8123426072161659
Energy: 0.5680123449810763
Energy: 0.5362151657647453
Energy: 0.9373923303401671
Energy: 0.5362151657647453
Energy: 0.6090700912168727
Energy: 0.7916375672967014
Energy: 0.4596553448349075
Energy: 0.7916375672967014

minimum gb energy = 0.3914764525416191 eV
minimum distance =  2.47887106790772 Angstroms
sigma value = 7


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

Energy: 0.6080638542010155
Energy: 0.6092507000218221
Energy: 0.6076229451312192
Energy: 0.6092507000229294
Energy: 0.625665247940211
Energy: 0.2604677826246487
Energy: 0.24721686976640192
Energy: 0.26046778262575593
Energy: 0.32646044385523526
Energy: 0.37009714658320036
Energy: 0.2918383282036369
Energy: 0.3700971465843076
Energy: 0.3246823022903322
Energy: 0.20754876693453614
Energy: 0.317811660568552
Energy: 0.20754876693342894
Energy: 0.42660968941535266
Energy: 0.3568632287537518
Energy: 0.21172077106211656
Energy: 0.35686322875485904
Energy: 0.42991659180557606
Energy: 0.20801964775733212
Energy: 0.208747240457889
Energy: 0.20801964775843934
Energy: 0.2098825472755292
Energy: 0.2947332984089114
Energy: 0.7893163734313758
Energy: 0.2947332984233052
Energy: 0.20876438093416383
Energy: 0.20913868421561413
Energy: 0.4278085863328115
Energy: 0.20913868421561413
Energy: 0.70241205916327
Energy: 0.31700695943520196
Energy: 0.31285505915541356
Energy: 0.31700695943409474
Energy: 0.29339117145945687
Energy: 0.336039999204745
Energy: 0.32455189814345775
Energy: 0.336039999204745
Energy: 0.2929299308335461
Energy: 0.25847737757890604
Energy: 0.4431570358546841
Energy: 0.2584773775800133
Energy: 0.8978250213223381
Energy: 0.33594121160593676
Energy: 0.5942649652647483
Energy: 0.33594121160593676
Energy: 0.8980597968981415
Energy: 0.33267227647858627
Energy: 0.5960522859494853
Energy: 0.3326722764796935
Energy: 0.29356043528007875
Energy: 0.34397797950359593
Energy: 0.6573456400636523
Energy: 0.34397797950359593
Energy: 0.2928840975632137
Energy: 0.37700428900170074
Energy: 0.32326891821492026
Energy: 0.37700428900170074
Energy: 0.7031118026130743
Energy: 0.21974549207589114
Energy: 0.24801836182035403
Energy: 0.21974549207589114
Energy: 0.20934767909748447
Energy: 0.2108634195474955
Energy: 0.42751337122614563
Energy: 0.21086341954638826
Energy: 0.16891417659772578
Energy: 0.4430901172512643
Energy: 0.789836670253974
Energy: 0.4430901172512643
Energy: 0.7309280633588249
Energy: 0.2102307174388688
Energy: 0.20931238768381527
Energy: 0.2102307174388688
Energy: 0.42688655771715606
Energy: 0.4848865110238616
Energy: 0.20931086529041532
Energy: 0.4848865110238616
Energy: 0.32364569975708496
Energy: 0.3226138482757427
Energy: 0.36898708145882525
Energy: 0.3226138482757427
Energy: 0.32493272746529867
Energy: 0.37114186910794883
Energy: 0.2921730833393594
Energy: 0.37114186910794883
Energy: 0.6239551165292049
Energy: 0.36406728220254597
Energy: 0.24564502544489808
Energy: 0.36406728220143875
Energy: 0.608007813213782
Energy: 0.5851098980219306
Energy: 0.8988348408405561
Energy: 0.5851098980219306
Energy: 0.5944920080343729
Energy: 0.33389122398257026
Energy: 0.3860672110036986
Energy: 0.33389122398146304
Energy: 0.4420286979976015
Energy: 0.3309061949974318
Energy: 0.2921522643662557
Energy: 0.3309061949963246
Energy: 0.32736501911275656
Energy: 0.2057472025554733
Energy: 0.29453831162174254
Energy: 0.2057472025554733
Energy: 0.42686591223799364
Energy: 0.31563169323944373
Energy: 0.7011283411249104
Energy: 0.31563169323944373
Energy: 0.4288373071774068
Energy: 0.2068366548104035
Energy: 0.2069071452248541
Energy: 0.2068366548104035
Energy: 0.8128120002385542
Energy: 0.3025117899881086
Energy: 0.8128025797602478
Energy: 0.3025117899870014
Energy: 0.2069085848892558
Energy: 0.20680262363290278
Energy: 0.4288373071807285
Energy: 0.20680262363290278

minimum gb energy = 0.16891417659772578 eV
minimum distance =  2.53926903209969 Angstroms
sigma value = 29


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

Energy: 0.22048130781376354
Energy: 0.20971081904354005
Energy: 0.7232591671591243
Energy: 0.20971081904388286
Energy: 0.8654901720053505
Energy: 0.30324029383281165
Energy: 0.25850189566647036
Energy: 0.30324029383319734
Energy: 0.7100496907018206
Energy: 0.16185970506182903
Energy: 0.1616449940552189
Energy: 0.1618597050622147
Energy: 1.0367637937033032
Energy: 0.21081548945246759
Energy: 0.16264036977459362
Energy: 0.21081548945246759
Energy: 1.139760829738574
Energy: 0.1618275158215448
Energy: 0.16109990434091734
Energy: 0.1618275158215448
Energy: 0.4431749830721906
Energy: 0.1614675928636939
Energy: 0.16229876835840207
Energy: 0.1614675928644224
Energy: 0.4300325581043716
Energy: 0.16164752328877338
Energy: 0.6331941439300399
Energy: 0.16164752328877338
Energy: 0.22254602729563508
Energy: 0.16151249551231622
Energy: 0.849515510172146
Energy: 0.16151249551081637
Energy: 0.8690365865167425
Energy: 0.16254927332129698
Energy: 0.16105668688596536
Energy: 0.16254927332206834

minimum gb energy = 0.16105668688596536 eV
minimum distance =  2.577083738053 Angstroms
sigma value = 5


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

Energy: 0.11819164147826162
Energy: -0.09031369094980518
Energy: 0.815288908110362
Energy: -0.09031369095085108
Energy: 0.31658229316178643
Energy: 0.203174986954791
Energy: 0.1494858369758633
Energy: 0.20317498695269923
Energy: -0.001440517956646599
Energy: 0.010214193807363067
Energy: -0.18939167855185265
Energy: 0.010214193807363067
Energy: -0.002087996295249107
Energy: -0.08382246608525229
Energy: 0.0025344717600249336
Energy: -0.08382246608525229
Energy: -0.03238060761801091
Energy: -0.17248369175281544
Energy: -0.1094594508884686
Energy: -0.17248369175176953
Energy: 0.08961139343097034
Energy: -0.04865002876759628
Energy: -0.11615296285893276
Energy: -0.04865002876759628
Energy: -0.033502548676702965
Energy: -0.19274638615607467
Energy: 0.2725482892864531
Energy: -0.19274638615607467
Energy: -0.03339066765484744
Energy: -0.19406461267502473
Energy: 0.2754885103592819
Energy: -0.19406461267607059
Energy: 0.34065450759006244
Energy: -0.11459883847989151
Energy: 0.03458498680625028
Energy: -0.11459883847989151
Energy: 0.44332265273301197
Energy: -0.11448934473422172
Energy: 0.03335269134005767
Energy: -0.11448934473422172
Energy: -0.1674830748748433
Energy: -0.16717310864949209
Energy: 0.026713523084635527
Energy: -0.16717310864949209
Energy: -0.16847937154006057
Energy: -0.16885266707685032
Energy: -0.023550357099779557
Energy: -0.1688526670758044
Energy: 0.40123309641480664
Energy: 0.028598852476658224
Energy: -0.024698841060175867
Energy: 0.028598852475659867
Energy: -0.1141126392294051
Energy: -0.16986616987529846
Energy: -0.02360475006329379
Energy: -0.16986616987425257
Energy: -0.07266437877747699
Energy: 0.23893251903556795
Energy: 0.323273359444257
Energy: 0.23893251903556795
Energy: 0.7251376680706094
Energy: -0.10041619258818736
Energy: 0.03165444058669776
Energy: -0.10041619258714148
Energy: 0.4286951266218208
Energy: -0.04605163311917888
Energy: 0.22088652704393877
Energy: -0.04605163311917888
Energy: -0.12063281332214074
Energy: 0.04999725737232306
Energy: 0.2765268082509249
Energy: 0.049997257371277144
Energy: -0.03224042209891203
Energy: -0.10465190866976264
Energy: 0.04332750758665387
Energy: -0.10465190867290035
Energy: -0.0926311488218861
Energy: 0.08880954184868099
Energy: -0.11287836942778079
Energy: 0.08880954184868099
Energy: -0.09308477949014449
Energy: -0.08570575779846588
Energy: -0.04779912286774023
Energy: -0.08570575779741998
Energy: 0.287676132531819
Energy: -0.17071088663506284
Energy: -0.19473613949615917
Energy: -0.17071088663820055
Energy: -0.00117378967986002
Energy: 0.08197595956458101
Energy: -0.18848703379673942
Energy: 0.08197595956667282
Energy: 0.29820991054846907
Energy: -0.10681767839363836
Energy: 0.4785604016274705
Energy: -0.10681767839259244
Energy: 0.3026349167313233
Energy: -0.10667741551874052
Energy: 0.7239128603450967
Energy: -0.10667741551769462
Energy: 0.37394685422515767
Energy: -0.17085172863209938
Energy: -0.19535784507879236
Energy: -0.17085172863105347
Energy: 0.12473767442455522
Energy: -0.1690781506914836
Energy: -0.18765995592276427
Energy: -0.16907815068939178
Energy: -0.09269579770842712
Energy: 0.11203535223197668
Energy: 0.4696702694934063
Energy: 0.11203535223302258
Energy: -0.09301014368936707
Energy: -0.16967242681771438
Energy: -0.11018512577207772
Energy: -0.16967242681876024
Energy: 0.41427200624011346
Energy: 0.28327163568247704
Energy: 0.13508620898316698
Energy: 0.28327163568247704
Energy: -0.08157611707564222
Energy: -0.029379226919667167
Energy: 0.2751999300650611
Energy: -0.029379226919667167
Energy: -0.031350714642612354
Energy: -0.07079242385290144
Energy: 0.4174516348263869
Energy: -0.07079242385080964
Energy: 0.7166544300946742
Energy: -0.10001594477760375
Energy: 0.03204653234190814
Energy: -0.10001594477655786

minimum gb energy = -0.19535784507879236 eV
minimum distance =  2.50772101293201 Angstroms
sigma value = 1


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

Energy: 0.33086137688965156
Energy: 0.2453712656698925
Energy: 0.9254858870227337
Energy: 0.2453712656698925
Energy: 0.2210450662154226
Energy: 0.2501272890695358
Energy: 0.4000287906292812
Energy: 0.2501272890695358
Energy: 0.2950425217867073
Energy: 0.24373121013332097
Energy: 0.28538716725123353
Energy: 0.24373121013332097
Energy: 0.2612640293265183
Energy: 0.11929758850297396
Energy: 0.30413440080126325
Energy: 0.11929758850297396
Energy: 0.16517643213674663
Energy: 0.2560165214294521
Energy: 0.16497644198245864
Energy: 0.2560165214294521
Energy: 0.16561203424765944
Energy: 0.16499140235454968
Energy: 0.16498742037349717
Energy: 0.16499140235454968
Energy: 0.285717280374302
Energy: 0.23557334912313835
Energy: 0.4632918600799044
Energy: 0.23557334912313835
Energy: 0.28543765721206193
Energy: 0.12081300531042062
Energy: 0.59622100444388
Energy: 0.12081300531042062
Energy: 0.49822038332719903
Energy: 0.2554596370004139
Energy: 0.15359542221741107
Energy: 0.25545963700186003
Energy: 0.49822038332719903
Energy: 0.26303300757371045
Energy: 0.15253979574582935
Energy: 0.26303300757515663
Energy: 0.28565594510298653
Energy: 0.23573708193911203
Energy: 0.5962210044424341
Energy: 0.23573708193911203
Energy: 0.2854263627370562
Energy: 0.12122854152161373
Energy: 0.4632918600799044
Energy: 0.12122854152161373
Energy: 0.16517315708875066
Energy: 0.15107368892230522
Energy: 0.16489931050144782
Energy: 0.15107368892230522
Energy: 0.16506431360731427
Energy: 0.25235395432839103
Energy: 0.16483517848340076
Energy: 0.2523539543327294
Energy: 0.24396781043114163
Energy: 0.2357405200268602
Energy: 0.3043693745463682
Energy: 0.2357405200268602
Energy: 0.2950425217881534
Energy: 0.23581819807819693
Energy: 0.2854535820197906
Energy: 0.23581819807678367
Energy: 0.35633741220842485
Energy: 0.23008354847271234
Energy: 0.23291664188235178
Energy: 0.23008354847271234
Energy: 0.33086137688965156
Energy: 0.24537126567133863
Energy: 0.9254858870574081
Energy: 0.24537126567133863
Energy: 0.2210450662154226
Energy: 0.2501272890695358
Energy: 0.4000287906307274
Energy: 0.2501272890680897
Energy: 0.2950425217867073
Energy: 0.24373121013332097
Energy: 0.28538716724978735
Energy: 0.24373121013332097
Energy: 0.2612640293265183
Energy: 0.1192975885044201
Energy: 0.3041344007998171
Energy: 0.1192975885044201
Energy: 0.16517643213674663
Energy: 0.2560165214294521
Energy: 0.16497644198245864
Energy: 0.2560165214294521
Energy: 0.16561203424621332
Energy: 0.16499140235310356
Energy: 0.1649874203749433
Energy: 0.16499140235310356
Energy: 0.285717280374302
Energy: 0.23557334912313835
Energy: 0.4632918600813506
Energy: 0.23557334912313835

minimum gb energy = 0.11929758850297396 eV
minimum distance =  2.48908582075349 Angstroms
sigma value = 17


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

Energy: 0.03024058795865849
Energy: -0.40042099124486924
Energy: 0.5700561878847371
Energy: -0.4004209912439754
Energy: 0.08774864878205407
Energy: -0.17454745472619412
Energy: 0.017831426336967694
Energy: -0.17454745472440647
Energy: -0.11785469841007315
Energy: -0.09393748372532448
Energy: -0.29138874199418574
Energy: -0.09393748372443067
Energy: -0.12119271025386784
Energy: -0.07039191567531379
Energy: 0.07414626520451607
Energy: -0.07039191567441998
Energy: -0.17902519376355278
Energy: -0.20080475760393776
Energy: -0.22657711185913362
Energy: -0.20080475760215008
Energy: -0.2432435777448909
Energy: -0.22929808311500585
Energy: -0.20320022787389372
Energy: -0.22929808311500585
Energy: -0.20022605754542247
Energy: -0.08331898217553252
Energy: -0.06590412727558541
Energy: -0.08331898217642633
Energy: -0.19194637453395078
Energy: -0.06630771143443583
Energy: -0.15453193434676316
Energy: -0.06630771143175435
Energy: 0.34118462991130244
Energy: -0.2588029200736742
Energy: 0.13129439528606116
Energy: -0.25880292007278044
Energy: -0.21960225133807695
Energy: -0.25747531085753517
Energy: 0.1334415687665821
Energy: -0.25747531085842906
Energy: -0.18510710149600934
Energy: -0.12843169063774876
Energy: -0.15375071260965015
Energy: -0.1284316906359611
Energy: -0.1841835356628506
Energy: -0.12036381977920904
Energy: 0.04934911419248531
Energy: -0.12036381978099668
Energy: -0.22132097431570574
Energy: -0.21296710612843595
Energy: -0.21605984451911053
Energy: -0.2129671061266483
Energy: -0.10847200893294398
Energy: -0.07164343472014016
Energy: -0.21870122899009994
Energy: -0.07164343472014016
Energy: -0.10060159280018428
Energy: -0.24208944340766922
Energy: -0.21682911605909538
Energy: -0.24208944340945687
Energy: -0.15034317359836094
Energy: -0.2049922009331924
Energy: -0.17354434049574935
Energy: -0.2049922009340862
Energy: 0.1437950050632871
Energy: -0.1015773923664457
Energy: -0.07485446418960091
Energy: -0.1015773923664457
Energy: -0.18363054945706492
Energy: -0.19047470544960748
Energy: 0.1316749817698671
Energy: -0.1904747054513951
Energy: 0.014157792689903161
Energy: -0.2742712770656107
Energy: 0.01686752240817766
Energy: -0.27427127706918597
Energy: 0.39678161010723384
Energy: -0.3079887527922186
Energy: -0.2882090210481432
Energy: -0.3079887527922186
Energy: 0.013119076203744482
Energy: 0.02419756087822936
Energy: 0.07167553106934611
Energy: 0.02419756087822936
Energy: -0.1965823435307434
Energy: -0.19736446816737724
Energy: -0.06627589634820072
Energy: -0.1973644681664834
Energy: -0.04261096205060274
Energy: -0.08104995180945528
Energy: -0.13163548078074896
Energy: -0.08104995180766762
Energy: -0.17350463578250577
Energy: -0.21931368785444624
Energy: -0.13733119593383775
Energy: -0.21931368785265862
Energy: -0.1587942426423374
Energy: -0.24160223677205828
Energy: -0.2881816994276436
Energy: -0.2416022367729521
Energy: -0.12687749585570082
Energy: -0.08194110839552698
Energy: -0.2947026990577726
Energy: -0.08194110839820846
Energy: -0.017013493846549425
Energy: -0.08483006442311469
Energy: -0.10462206782756346
Energy: -0.08483006442669
Energy: -0.013847190565731889
Energy: -0.03226120937616899
Energy: -0.09901023290384152
Energy: -0.03226120937885047
Energy: -0.00839546556595355
Energy: -0.03151900721182808
Energy: -0.28897600555215547
Energy: -0.03151900721450956
Energy: -0.1188711117675435
Energy: -0.087534276922845
Energy: -0.29447085175227833
Energy: -0.08753427692373882
Energy: -0.127011270684948
Energy: -0.08545884154949825
Energy: -0.10581170741844816
Energy: -0.0854588415521797
Energy: -0.13635129529823845
Energy: -0.24313481853815747
Energy: -0.2273956715339934
Energy: -0.24313481853905125
Energy: -0.18242685039605303
Energy: -0.20458268319765394
Energy: -0.13521264247740236
Energy: -0.20458268319676012
Energy: -0.09151689731660843
Energy: -0.20584985715233453
Energy: -0.12169449916932037
Energy: -0.2058498571478654
Energy: -0.19575497516095092
Energy: -0.19821113277543856
Energy: -0.12319218731502156
Energy: -0.19821113277365093
Energy: -0.031043442156968
Energy: -0.1007176679203812
Energy: 0.10701288708721682
Energy: -0.10071766792127504
Energy: 0.3980035238976491
Energy: -0.30744642947665207
Energy: -0.29040942939316067
Energy: -0.30744642947843975
Energy: 0.15842903179441958
Energy: -0.22130770341348488
Energy: 0.04822019713050356
Energy: -0.22130770340990963

minimum gb energy = -0.40042099124486924 eV
minimum distance =  2.51332933167494 Angstroms
sigma value = 89


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

Energy: 0.425624623392797
Energy: 0.15054439213964285
Energy: 0.8562064867088409
Energy: 0.15054439213895188
Energy: 0.3537199909024463
Energy: 0.5763197351734727
Energy: 0.3180038401413491
Energy: 0.5763197351734727
Energy: 0.3774954027996512
Energy: 0.14527016872224907
Energy: 0.14594760423186193
Energy: 0.14527016872200987
Energy: 0.2536479553287383
Energy: 0.21916566103230925
Energy: 0.5214727779286902
Energy: 0.21916566103230925
Energy: 0.22201932617488182
Energy: 0.22328478774869456
Energy: 0.3834931575267909
Energy: 0.22328478774869456
Energy: 0.21988591734547522
Energy: 0.4691047486236601
Energy: 0.38443573299761125
Energy: 0.4691047486236601
Energy: 0.22058209655706337
Energy: 0.14434433497047683
Energy: 0.38370177991150795
Energy: 0.14434433497023766
Energy: 0.21890889469036717
Energy: 0.21871451945002007
Energy: 0.6865046635469202
Energy: 0.21871451945002007
Energy: 0.37497962122608813
Energy: 0.22253647939865845
Energy: 0.1426544750880034
Energy: 0.22253647939865845
Energy: 0.2176171374336928
Energy: 0.21885355670828466
Energy: 0.14215986578192075
Energy: 0.21885355670828466
Energy: 0.40830272588848443
Energy: 0.14192210214843876
Energy: 0.6875515115123302
Energy: 0.14192210214819956
Energy: 0.39990534837669917
Energy: 0.14546505885429498
Energy: 0.6861248450452843
Energy: 0.14546505885477337
Energy: 0.376307167383956
Energy: 0.22539153457777328
Energy: 0.1423194226665796
Energy: 0.22539153457777328
Energy: 0.37767852164405363
Energy: 0.21855783472760404
Energy: 0.14216802218963626
Energy: 0.21855783472526533
Energy: 0.2199508470599291
Energy: 0.21858611852328952
Energy: 0.4705288970283089
Energy: 0.21858611852328952

minimum gb energy = 0.14192210214819956 eV
minimum distance =  2.51184817323601 Angstroms
sigma value = 13


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

Energy: 0.1473115553314001
Energy: -0.003615840491212772
Energy: 0.459737015240689
Energy: -0.003615840490232533
Energy: -0.0037795226604725074
Energy: 0.01651363177058479
Energy: -0.15981422781550278
Energy: 0.01651363177058479
Energy: 0.1867450003150645
Energy: 0.08394140938444233
Energy: 0.056616507575066345
Energy: 0.08394140938444233
Energy: 0.0012135729928349835
Energy: -0.027941346017835364
Energy: -0.17773436305570114
Energy: -0.027941345992349164
Energy: -0.006540288296564875
Energy: 0.29988245066560026
Energy: -0.011241340504263396
Energy: 0.2998824506675608
Energy: 0.034032781182732674
Energy: 0.14453452648348186
Energy: -0.056504580313523275
Energy: 0.14453452648348186
Energy: -0.265255650613643
Energy: 0.1645860032153725
Energy: -0.264602176731385
Energy: 0.164586003217333
Energy: -0.2647404505690892
Energy: -0.256003097378936
Energy: -0.2641034142947904
Energy: -0.256003097378936
Energy: -0.008951036534378874
Energy: 0.34733912908891645
Energy: -0.00279994930878725
Energy: 0.34733912908989667
Energy: 0.1695706733879124
Energy: 0.2599651136193305
Energy: 0.188362836775687
Energy: 0.2599651136203107
Energy: 0.10300422146887406
Energy: 0.1587451551997821
Energy: 0.02556391717993007
Energy: 0.15874515519880186
Energy: 0.04672747941491944
Energy: 0.23197435150967816
Energy: -0.2624037012683826
Energy: 0.23197435150967816
Energy: 0.0106292689666086
Energy: -0.0070718539531501624
Energy: 0.1431306539008057
Energy: -0.007071853955110641
Energy: 0.030672359043415993
Energy: -0.12812792685491464
Energy: 0.1995893818471044
Energy: -0.12812792685295415
Energy: 0.10272761759586235
Energy: 0.1598795538218815
Energy: 0.08634261735812687
Energy: 0.15987955382090124
Energy: 0.12161803999883086
Energy: 0.10754619226106246
Energy: 0.18781510697765605
Energy: 0.1075461922698846
Energy: -0.15928145770548363
Energy: 0.3474215386308714
Energy: -0.0038189540934630336
Energy: 0.3474215386318517
Energy: -0.010500274767554532
Energy: 0.24374461299782813
Energy: 0.1599806299246673
Energy: 0.24374461299684788
Energy: -0.2653433645055494
Energy: 0.06493081557159718
Energy: -0.2647859430647687
Energy: 0.06493081557159718
Energy: -0.26485813008168263
Energy: 0.0654384575777688
Energy: -0.2652503603141172
Energy: 0.06543845757874905
Energy: 0.1600095947567255
Energy: 0.24378101701226582
Energy: -0.010583831380811015
Energy: 0.24378101701226582
Energy: -0.003876640454784253
Energy: 0.3471062094925928
Energy: -0.15919275712238085
Energy: 0.3471062094925928
Energy: 0.18781510697667578
Energy: 0.10935560550208163
Energy: 0.12022513990512546
Energy: 0.10935560550208163
Energy: 0.08634261735812687
Energy: 0.15977069726777934
Energy: 0.10295853785668893
Energy: 0.15977069726777934
Energy: 0.1997614931008001
Energy: -0.12824073770764735
Energy: 0.030639060522140087
Energy: -0.1282407377086276
Energy: 0.1430894715016983
Energy: -0.007333397623611284
Energy: 0.0106292689666086
Energy: -0.007333397626552
Energy: -0.26214793246400786
Energy: 0.23200629361294012
Energy: 0.1539507981828257
Energy: 0.2320062936119599
Energy: 0.02556391717894983
Energy: 0.15869612018438412
Energy: 0.10305186611311616
Energy: 0.1586961201863446
Energy: 0.18839202944237796
Energy: 0.25852772654421474
Energy: 0.1695659276404591
Energy: 0.25852772654421474
Energy: -0.002819698587955409
Energy: 0.3474019016234445
Energy: -0.008226888563077406
Energy: 0.3474019016234445
Energy: -0.2640791243380566
Energy: -0.2563058285200353
Energy: -0.2647567660769022
Energy: -0.2563058285200353
Energy: -0.2645698797561058
Energy: 0.1643103771771031
Energy: -0.26527772986878706
Energy: 0.1643103771780833
Energy: -0.05655245151474653
Energy: 0.08048898282483481
Energy: 0.03403774068895151
Energy: 0.08048898282189411
Energy: -0.01135625700411738
Energy: 0.29990518515336373
Energy: -0.006553843890751258
Energy: 0.29990518515336373
Energy: -0.17776473518500388
Energy: -0.028401332478444313
Energy: 0.0008857856174096713
Energy: -0.028401332477464077

minimum gb energy = -0.2653433645055494 eV
minimum distance =  2.4951800790365 Angstroms
sigma value = 37


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

Energy: 0.42444205746730385
Energy: 0.26068414323426314
Energy: 0.8409826586065857
Energy: 0.2606841432325767
Energy: 0.35046433614283484
Energy: 0.44214347721036595
Energy: 0.32654122427037346
Energy: 0.44214347721036595
Energy: 0.5576903326410197
Energy: 0.46678928260082087
Energy: 0.45266542901769075
Energy: 0.46678928260082087
Energy: 0.3465384335768338
Energy: 0.5771875844716591
Energy: 0.4409881487007259
Energy: 0.5771875844733456
Energy: 0.4280231277163904
Energy: 0.45800258624838136
Energy: 0.40558268115949314
Energy: 0.45800258624838136
Energy: 0.4721668436380057
Energy: 0.40907924182284683
Energy: 0.4847594169545665
Energy: 0.40907924182284683
Energy: 0.2547647228962081
Energy: 0.4395311999188306
Energy: 0.36947615968806
Energy: 0.43953119992051704
Energy: 0.25486942131641843
Energy: 0.5263447822256536
Energy: 0.38728442040229316
Energy: 0.5263447822256536
Energy: 0.25510982972627566
Energy: 0.4580695008431354
Energy: 0.40663999360431086
Energy: 0.4580695008431354
Energy: 0.46246447161527166
Energy: 0.40937655124759154
Energy: 0.40714275010927287
Energy: 0.40937655124759154
Energy: 0.4446947245655224
Energy: 0.44751493273875587
Energy: 0.4052356696325243
Energy: 0.44751493273875587
Energy: 0.4440820929175276
Energy: 0.40697066833515777
Energy: 0.3601254468770741
Energy: 0.40697066833515777
Energy: 0.535306453359856
Energy: 0.45416467835988034
Energy: 0.6027289902362614
Energy: 0.45416467835819385
Energy: 0.3370695169473809
Energy: 0.45143131802150044
Energy: 0.4759061381783436
Energy: 0.45143131802150044
Energy: 0.45122475346966745
Energy: 0.2784867198494044
Energy: 0.40551125818657
Energy: 0.2784867198510908
Energy: 0.3560451727454885
Energy: 0.342733535883388
Energy: 0.41949006650219467
Energy: 0.342733535883388
Energy: 0.5608517926888773
Energy: 0.42635019387307604
Energy: 0.6021731764551318
Energy: 0.42635019387307604
Energy: 0.3476181069519799
Energy: 0.44386834719986595
Energy: 0.35151117034613416
Energy: 0.4438683471981794
Energy: 0.44482198414763335
Energy: 0.4286210958431713
Energy: 0.4056460749433995
Energy: 0.4286210958431713
Energy: 0.48720280449928394
Energy: 0.42545297199802695
Energy: 0.40563487527095954
Energy: 0.42545297199802695

minimum gb energy = 0.2547647228962081 eV
minimum distance =  2.49373605854178 Angstroms
sigma value = 25


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

Energy: 0.33211548940690533
Energy: 0.1560747728296564
Energy: 0.6007224432185131
Energy: 0.15607477282702256
Energy: 0.16418895561106053
Energy: 0.5490847188204366
Energy: 0.1768627581643013
Energy: 0.5490847188204366
Energy: 0.3438057726390309
Energy: 0.228244119695999
Energy: 0.3192963489671813
Energy: 0.228244119695999
Energy: 0.20330139836166058
Energy: 0.21381843701243505
Energy: 0.2373880086690474
Energy: 0.21381843700980122
Energy: 0.20367904358144032
Energy: 0.25004873426923363
Energy: 0.23898523578357403
Energy: 0.25004873426791674
Energy: 0.2043246245105587
Energy: 0.1860121626502173
Energy: 0.2907826404673283
Energy: 0.18601216265153425
Energy: 0.13601767152482544
Energy: 0.3381500712294663
Energy: 0.26294599397596347
Energy: 0.3381500712281494
Energy: 0.24085362405578148
Energy: 0.36867661772009747
Energy: 0.23394578110361877
Energy: 0.36867661772009747
Energy: 0.2377356304708068
Energy: 0.3382416173936391
Energy: 0.22531797961560648
Energy: 0.3382416173936391
Energy: 0.2390030655331156
Energy: 0.4485900142010641
Energy: 0.2925760398549123
Energy: 0.448590014202381
Energy: 0.2330659327830932
Energy: 0.33879342282348146
Energy: 0.22914263448930117
Energy: 0.33879342282348146
Energy: 0.24552089139216238
Energy: 0.35048448103971
Energy: 0.2340302124707634
Energy: 0.3504844810383931
Energy: 0.13404091385362588
Energy: 0.3413950994472979
Energy: 0.28390870814446934
Energy: 0.3413950994472979
Energy: 0.2381263986436196
Energy: 0.32931608442789745
Energy: 0.1497045855810362
Energy: 0.32931608442789745
Energy: 0.21664002222768364
Energy: 0.4313941632465951
Energy: 0.24269377903125328
Energy: 0.4313941632518627
Energy: 0.22843626367836636
Energy: 0.33761701683343986
Energy: 0.23734132787169446
Energy: 0.33761701683343986
Energy: 0.34763641206122725
Energy: 0.22968943023430258
Energy: 0.3097587716467108
Energy: 0.22968943023430258
Energy: 0.17939433437305902
Energy: 0.14866936804801203
Energy: 0.21767541233033355
Energy: 0.14866936804801203
Energy: 0.2772913360523709
Energy: 0.09465802124733698
Energy: 0.27180445516334917
Energy: 0.09465802124733698
Energy: 0.21043140619119352
Energy: 0.18687628746521162
Energy: 0.14864704821682
Energy: 0.18687628746521162
Energy: 0.486200162402408
Energy: 0.2302759760287473
Energy: 0.2546636429069686
Energy: 0.2302759760287473
Energy: 0.21706770836999473
Energy: 0.2513456913985467
Energy: 0.25001712587281116
Energy: 0.2513456913985467
Energy: 0.1880103555897937
Energy: 0.3469910755487991
Energy: 0.23852188996188298
Energy: 0.34699107555011593
Energy: 0.20357621861205596
Energy: 0.3526572468472257
Energy: 0.28713456715174357
Energy: 0.35265724684854255
Energy: 0.13651847289393104
Energy: 0.39821648366535
Energy: 0.28414478000799376
Energy: 0.39821648366535
Energy: 0.29706593219871125
Energy: 0.36381761940030516
Energy: 0.19863345048711198
Energy: 0.36381761940030516

minimum gb energy = 0.09465802124733698 eV
minimum distance =  2.51086386571606 Angstroms
sigma value = 41


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

Energy: 0.030240332075961898
Energy: 0.0373235287704984
Energy: 0.27943910797622673
Energy: 0.0373235287704984
Energy: 0.03352691699345734
Energy: 0.07654136545213043
Energy: 0.06869237683550176
Energy: 0.07654136545321008
Energy: 0.11958510431537384
Energy: 0.02359413719247634
Energy: 0.2618294820025055
Energy: 0.02359413719139669
Energy: 0.005013728724250258
Energy: 0.02337374315927134
Energy: 0.02760509326018751
Energy: 0.02337374315927134
Energy: 0.22519238080091167
Energy: 0.1155745995292459
Energy: 0.05483277423592931
Energy: 0.1155745995292459
Energy: 0.02509429772131902
Energy: 0.1502779017255357
Energy: 0.030507997931811873
Energy: 0.1502779017233764
Energy: 0.10830435038162955
Energy: 0.16836018569919436
Energy: 0.07366085990409173
Energy: 0.16836018570351294
Energy: 0.03372092585603415
Energy: 0.16177033430827178
Energy: 0.018070523905658435
Energy: 0.16177033430719212
Energy: 0.08800592695611273
Energy: 0.13884407164763793
Energy: 0.030469239827916356
Energy: 0.13884407164763793
Energy: 0.016866678507292985
Energy: 0.19979293451463667
Energy: 0.016355302117275854
Energy: 0.19979293451463667
Energy: 0.06803296798273101
Energy: 0.08189302089563764
Energy: 0.07813574929753841
Energy: 0.08189302089455801
Energy: 0.03687931024731608
Energy: 0.20038429599237695
Energy: 0.02132671641619002
Energy: 0.20038429599237695
Energy: 0.06394975001213803
Energy: 0.08274015476899993
Energy: 0.13607930286224798
Energy: 0.08274015476792028
Energy: 0.010103031443711196
Energy: 0.21523867486965795
Energy: 0.01849025309495275
Energy: 0.21523867486965795
Energy: 0.21638286056853942
Energy: 0.13944506486738645
Energy: 0.023943915703244355
Energy: 0.13944506486954575
Energy: 0.028182090489438667
Energy: 0.17912200868672035
Energy: 0.04176444977817157
Energy: 0.17912200868887965
Energy: 0.11270747427869704
Energy: 0.0775839350588181
Energy: 0.034375033996991045
Energy: 0.0775839350588181
Energy: 0.026124770791851444
Energy: 0.13384637908039432
Energy: -0.0006185200998708171
Energy: 0.13384637907931468
Energy: 0.21827636766568884
Energy: 0.0642745786555283
Energy: 0.05383166188815688
Energy: 0.064274578653369
Energy: -0.03459156753776613
Energy: 0.005723932796321191
Energy: 0.03396067100190249
Energy: 0.005723932793082244
Energy: 0.125981601361558
Energy: -0.035772353285134784
Energy: -0.03959997075537184
Energy: -0.03577235328081618
Energy: 0.0019457477342953405
Energy: -0.024964449598177483
Energy: 0.01720660661465331
Energy: -0.024964449598177483
Energy: -0.02128206590571097
Energy: -0.06445634030620712
Energy: 0.06295669989276693
Energy: -0.06445634030620712
Energy: -0.030352330133995502
Energy: -0.018609147743440347
Energy: -0.025248836714352556
Energy: -0.018609147744519994
Energy: 0.23837824083999704
Energy: -0.036662049343397694
Energy: 0.054629577262386084
Energy: -0.036662049346587566
Energy: 0.005998863414138796
Energy: 0.013860967940475769
Energy: 0.030636536466447192
Energy: 0.013860967939396118
Energy: 0.18805934691583243
Energy: 0.11409785199265608
Energy: 0.05779857185955484
Energy: 0.11409785199265608
Energy: -0.041106794573716826
Energy: 0.03425987985132341
Energy: 0.10759979188939447
Energy: 0.03425987984916411
Energy: 0.09176871797110198
Energy: 0.2946584092233223
Energy: 0.03303085697948355
Energy: 0.29465840922116304
Energy: 0.03636526633393933
Energy: 0.15060479477139224
Energy: 0.012882402395710783
Energy: 0.15060479477355151
Energy: 0.2162778887824333
Energy: 0.13561090481198482
Energy: 0.030036215642349803
Energy: 0.13561090481414412
Energy: 0.011970771518468407
Energy: 0.15733920032349508
Energy: 0.00938594452060556
Energy: 0.1573392003245747

minimum gb energy = -0.06445634030620712 eV
minimum distance =  2.50868843207564 Angstroms
sigma value = 15


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

Energy: -0.18592394344681992
Energy: -0.1893472507639537
Energy: 0.044973728289017724
Energy: -0.1893472507621245
Energy: -0.19273824126157052
Energy: -0.13095421586698
Energy: -0.11037194733323935
Energy: -0.13095421586240694
Energy: -0.13581529921818047
Energy: 0.03496907700456859
Energy: 0.01165456572107766
Energy: 0.03496907700456859
Energy: -0.18304629952744084
Energy: -0.02293276188570898
Energy: -0.16815897052838624
Energy: -0.022932761887538206
Energy: -0.1361363088977606
Energy: -0.09719116561464683
Energy: -0.1432061679578544
Energy: -0.09719116561464683
Energy: -0.17862397864500218
Energy: -0.03443504716596258
Energy: -0.20349959894197722
Energy: -0.03443504716596258
Energy: 0.011749660999621053
Energy: -0.12333722027918023
Energy: -0.14789951309260652
Energy: -0.12333722027735099
Energy: -0.21550027598445293
Energy: -0.08269070901189661
Energy: -0.1916385355736854
Energy: -0.08269070901098201
Energy: -0.043246031818579
Energy: -0.019782078079848206
Energy: -0.1801395751672668
Energy: -0.019782078083506665
Energy: -0.215031884695112
Energy: -0.06846029370330886
Energy: -0.12960350101622056
Energy: -0.06846029370422348
Energy: -0.14772108239446022
Energy: -0.01739410818124725
Energy: -0.13167226818072125
Energy: -0.017394108205941845
Energy: -0.19077473655050886
Energy: 0.10766994933903092
Energy: -0.1891775862101513
Energy: 0.1076699493372017
Energy: -0.10578871878444494
Energy: -0.10146713167713198
Energy: -0.15640745203486592
Energy: -0.1014671316780466
Energy: -0.19379514161834932
Energy: -0.06605907360609574
Energy: -0.11735535864875608
Energy: -0.06605907360609574
Energy: -0.04751936886054825
Energy: -0.10377844140832632
Energy: -0.09300829176591864
Energy: -0.10377844140924093
Energy: -0.2037827969486703
Energy: 0.13612801841485672
Energy: -0.18801868393553878
Energy: 0.13612801841577132
Energy: -0.1519207242545779
Energy: -0.015904356914544393
Energy: -0.2422767473407703
Energy: -0.015904356915459005
Energy: -0.12356502036245426
Energy: -0.0065591867108557985
Energy: -0.21584332920953894
Energy: -0.006559186712685029
Energy: -0.1429344820535687
Energy: -0.015481871039417299
Energy: -0.18041442067503274
Energy: -0.01548187103758807
Energy: -0.21665478454460463
Energy: -0.04340684123653825
Energy: -0.1914224844642744
Energy: -0.043406841235623626
Energy: -0.11675423548051332
Energy: -0.12044804264804466
Energy: -0.07148486867842598
Energy: -0.12044804264713004
Energy: -0.17617364900541033
Energy: -0.0994482446685919
Energy: -0.15129574957663502
Energy: -0.09944824466676266
Energy: -0.1891334190594336
Energy: -0.12832564010528102
Energy: -0.1429635455976077
Energy: -0.12832564010528102
Energy: -0.21865948026070187
Energy: -0.1595443354821578
Energy: -0.16936364244991275
Energy: -0.1595443354821578
Energy: -0.15207355798658323
Energy: 0.03524749137482318
Energy: -0.17156450006097687
Energy: 0.035247491378481634
Energy: -0.194843417501838
Energy: -0.19541766699137636
Energy: -0.2096594218232485
Energy: -0.19541766699137636
Energy: -0.27253674668507677
Energy: -0.24161679314851514
Energy: -0.13339888815762138
Energy: -0.24161679314211285
Energy: -0.22959394153334847
Energy: -0.2265151146777218
Energy: -0.0806561582260983
Energy: -0.2265151146758926
Energy: -0.13254245526054903
Energy: -0.07235883210330364
Energy: -0.17149639585033877
Energy: -0.0723588321069621
Energy: -0.1799537648218533
Energy: -0.1616165961828211
Energy: -0.19757679097495312
Energy: -0.1616165961837357
Energy: -0.16860861637428987
Energy: -0.09684042811693863
Energy: -0.143500418601676
Energy: -0.09684042811785325
Energy: -0.17820273726089964
Energy: -0.09963356161885394
Energy: -0.20108734974432704
Energy: -0.09963356161885394
Energy: 0.005807010474720887
Energy: -0.125876973918203
Energy: -0.20175290467795798
Energy: -0.12587697391728836
Energy: -0.1614273197746039
Energy: -0.17361082837548725
Energy: -0.18675876118614287
Energy: -0.17361082837365802
Energy: -0.19395375035083415
Energy: -0.09028162548758123
Energy: -0.09753571144889589
Energy: -0.09028162549123969
Energy: -0.19491795657220012
Energy: -0.014477123049011924
Energy: -0.1290005776476973
Energy: -0.014477123048097312
Energy: -0.13602151035730717
Energy: 0.07396005141673412
Energy: -0.24271493126293223
Energy: 0.07396005141764873

minimum gb energy = -0.27253674668507677 eV
minimum distance =  2.51597809463598 Angstroms
sigma value = 85


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

Energy: 0.27612422000931314
Energy: 0.1722016233164097
Energy: 0.38721417238196587
Energy: 0.17220162331720296
Energy: 0.2279864327414741
Energy: 0.1472555694276132
Energy: 0.12858472078695293
Energy: 0.14725556942681994
Energy: 0.22720161816603465
Energy: 0.19863328683923484
Energy: 0.24287029768733298
Energy: 0.1986332868384416
Energy: 0.1714924419905945
Energy: 0.10164133647903759
Energy: 0.1803175650512672
Energy: 0.10164133647983083
Energy: 0.23954497807849265
Energy: 0.2749636910207377
Energy: 0.23000890708730595
Energy: 0.2749636910207377
Energy: 0.1774450543519971
Energy: 0.23828342310124748
Energy: 0.19298993183240568
Energy: 0.23828342310124748
Energy: 0.26670143231409466
Energy: 0.2810656530672131
Energy: 0.20670479954090537
Energy: 0.2810656530672131
Energy: 0.18567993353949602
Energy: 0.19199454845146827
Energy: 0.18431330410419872
Energy: 0.19199454845146827
Energy: 0.3214438436278038
Energy: 0.25524974365182657
Energy: 0.2744842368085841
Energy: 0.2552497436510333
Energy: 0.1875486916183315
Energy: 0.2991990522325171
Energy: 0.17962712557187765
Energy: 0.2991990522325171
Energy: 0.19484325561498958
Energy: 0.2873995994314313
Energy: 0.1804001751454586
Energy: 0.2873995994314313
Energy: 0.20997821593001098
Energy: 0.18283597801737295
Energy: 0.1939632240707214
Energy: 0.18283597801657972
Energy: 0.20956014822649355
Energy: 0.27145987309167013
Energy: 0.30720413415747977
Energy: 0.2714598730924634
Energy: 0.20825504364781683
Energy: 0.34132692197880843
Energy: 0.23274313286109488
Energy: 0.34132692197801523
Energy: 0.15433352917317997
Energy: 0.2687019994897835
Energy: 0.30549762971795524
Energy: 0.26870199948899026
Energy: 0.19724454928168664
Energy: 0.3626421235520349
Energy: 0.2038638805623702
Energy: 0.3626421235512417
Energy: 0.15235507446359783
Energy: 0.2711990979316492
Energy: 0.1945445871845721
Energy: 0.2711990979316492
Energy: 0.20332418382649847
Energy: 0.3520355776835625
Energy: 0.23355385885067256
Energy: 0.3520355776835625
Energy: 0.20776379527527633
Energy: 0.27337272418677677
Energy: 0.21743100210489186
Energy: 0.27337272418677677
Energy: 0.16922980551320474
Energy: 0.21511994997489475
Energy: 0.19887730875959608
Energy: 0.21511994997489475
Energy: 0.17142035653868237
Energy: 0.2861985125867206
Energy: 0.15434199327649162
Energy: 0.2861985125867206
Energy: 0.1872977227750711
Energy: 0.26816523011110843
Energy: 0.18169986749740452
Energy: 0.2681652301134882
Energy: 0.201597760081226
Energy: 0.3139526102738962
Energy: 0.2721162870991324
Energy: 0.313952610273103
Energy: 0.17078230404249692
Energy: 0.18405150916141733
Energy: 0.1931084520105195
Energy: 0.18405150916141733
Energy: 0.2917544770656232
Energy: 0.2845826133648633
Energy: 0.19762176541928891
Energy: 0.2845826133656565
Energy: 0.1770002590352494
Energy: 0.1507661971353475
Energy: 0.19495073001370952
Energy: 0.1507661971353475
Energy: 0.11405755226404343
Energy: 0.2809942657388414
Energy: 0.23126032535477858
Energy: 0.2809942657388414
Energy: 0.18306068347558221
Energy: 0.18854002585234553
Energy: 0.19718662015226746
Energy: 0.18854002585155225
Energy: 0.2853600888485259
Energy: 0.19778726564039759
Energy: 0.20728177449601337
Energy: 0.1977872656419841
Energy: 0.1700813050738904
Energy: 0.1309588172969098
Energy: 0.12968585959414955
Energy: 0.13095881729611655
Energy: 0.17338993747019887
Energy: 0.2420044970085151
Energy: 0.15801709160401708
Energy: 0.24200449700772186
Energy: 0.1991111304698005
Energy: 0.14739096165501617
Energy: 0.17564957800453823
Energy: 0.14739096165818913
Energy: 0.2044493995715995
Energy: 0.1973808042581426
Energy: 0.151296229757082
Energy: 0.19738080425734933
Energy: 0.1660823339345215
Energy: 0.11409088065641527
Energy: 0.17735460247558138
Energy: 0.11409088065641527
Energy: 0.1183616328867318
Energy: 0.28110307206782675
Energy: 0.22676963374048917
Energy: 0.2811030720670335
Energy: 0.18208594004392298
Energy: 0.21514220398674436
Energy: 0.19027130099013276
Energy: 0.21514220398674436
Energy: 0.2651569234659197
Energy: 0.26547953011934433
Energy: 0.20480117622300137
Energy: 0.2654795301177579
Energy: 0.20447537919652997
Energy: 0.20199776585341758
Energy: 0.18340912050832756
Energy: 0.2019977658542108
Energy: 0.20436603606001869
Energy: 0.2563703895043208
Energy: 0.2974139550413212
Energy: 0.25637038950511404
Energy: 0.16224530755437838
Energy: 0.21173169703946446
Energy: 0.2302179129975031
Energy: 0.2117316970402577
Energy: 0.2036646470046994
Energy: 0.28857976208859565
Energy: 0.17037433921378095
Energy: 0.28857976208859565
Energy: 0.2090585857238486
Energy: 0.23835786810750267
Energy: 0.19033390184349297
Energy: 0.23835786810674547
Energy: 0.20686251629598132
Energy: 0.29141866363546887
Energy: 0.2706222048372008
Energy: 0.29141866363546887

minimum gb energy = 0.10164133647903759 eV
minimum distance =  2.50463160553737 Angstroms
sigma value = 113


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

Energy: 0.0195253235440789
Energy: 0.019783654724057294
Energy: 0.9132319073093406
Energy: 0.019783654724667102
Energy: -0.7675303670091185
Energy: 0.583076696096607
Energy: -0.7675420878354826
Energy: 0.583076696096607
Energy: 0.2863504897754271
Energy: 0.019783654724667102
Energy: 0.0195253235440789
Energy: 0.019783654724057294
Energy: -0.7675339254736867
Energy: 0.583076696096031
Energy: -0.7675373566876217
Energy: 0.583076696096607
Energy: 0.0195253235440789
Energy: 0.019783654724057294
Energy: 0.9132319073158791
Energy: 0.019783654724667102
Energy: -0.7675379755498362
Energy: 0.5830766960972168
Energy: -0.7675618809252993
Energy: 0.5830766960972168

minimum gb energy = -0.7675618809252993 eV
minimum distance =  2.65399984049063 Angstroms
sigma value = 1