Model name: model_name=EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0499994456768045
cohesive_energy=3.299025747576126
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6866754296771598e-19, 2.33291337500106e-19, 2.8077504640196397e-19, 3.18563984491488e-19, 3.4980002014795194e-19, 3.7620068672300395e-19, 3.9883463603152194e-19, 4.1841804102890393e-19, 4.3546359823803e-19, 4.503494213445239e-19, 4.633687086724079e-19, 4.747521736569779e-19, 4.84680862257876e-19, 4.933101856086e-19, 5.00765113486602e-19, 5.071513895497259e-19, 5.125603378661099e-19, 5.1707046509082e-19, 5.207474604658499e-19, 5.236538088799259e-19, 5.25840779985336e-19, 5.27353234727832e-19, 5.28234431876532e-19, 5.28521221494018e-19, 5.28215205756924e-19, 5.2722826495038e-19, 5.25443440180104e-19, 5.227261486088399e-19, 5.18908161690018e-19, 5.13798820404192e-19, 5.07162604786164e-19, 4.987143273950819e-19, 4.88115928961172e-19, 4.74946037029692e-19, 4.586919550777619e-19, 4.387192211583179e-19, 4.14233155660896e-19, 3.84232398189246e-19, 3.4744482049597195e-19, 3.0223460023776e-19, 2.4647084249139e-19, 1.7733692073428996e-19, 9.10593885580632e-20, -1.75111497389664e-20, -1.555503626474946e-19, -3.3327997687477794e-19, -5.656772998131119e-19, -8.753828496952138e-19, -1.297977765208956e-18, -1.8920744741559598e-18, -2.76002162209278e-18, -4.09469884528014e-18, -6.29969443782264e-18]
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: -0.061233718112 eV

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

Energy: 0.010136626465326901
Energy: 0.16821052318243257
Energy: 0.010709773457024193
Energy: 0.011726221839546965
Energy: 0.1679389056677149
Energy: 0.010596685535104278
Energy: 0.16821052318265467
Energy: 0.04957780745151585
Energy: 0.04960291299508585
Energy: 0.049660944514400326
Energy: 0.049480224836311405
Energy: 0.04962124755463128
Energy: 0.010709773457274053
Energy: 0.04960291299508585
Energy: 0.04990541221736104
Energy: 0.010700460633899178
Energy: 0.04946121495198113
Energy: 0.05019507818823573
Energy: 0.011726221839546965
Energy: 0.04966094451462242
Energy: 0.010700460633899178
Energy: 0.010353098740786179
Energy: 0.04945007632520322
Energy: 0.010516814177526694
Energy: 0.1679389056679648
Energy: 0.04948022483656126
Energy: 0.04946121495050974
Energy: 0.04945007632542532
Energy: 0.04951890366988349
Energy: 0.04951691529656408
Energy: 0.010596685534632324
Energy: 0.04962124755463128
Energy: 0.05019507818848559
Energy: 0.01051681417774879
Energy: 0.04951691529656408
Energy: 0.010689666574810706

minimum gb energy = 0.010136626465326901 eV
minimum distance =  2.8542421286442 Angstroms
sigma value = 1


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

Energy: 0.5923977501780687
Energy: 0.42545619866577683
Energy: 0.44416371632652074
Energy: 0.4379157335133129
Energy: 0.4257733427872045
Energy: 0.44033716224869884
Energy: 0.5582982844090464
Energy: 0.42396859207628734
Energy: 0.4238908487762047
Energy: 0.41761366410372913
Energy: 0.42408664415826464
Energy: 0.4240436550991921
Energy: 0.5933292329708644
Energy: 0.42298512474624944
Energy: 0.4130678218020376
Energy: 0.3958767839902986
Energy: 0.4284291411376325
Energy: 0.3979134441386547
Energy: 0.5927348705639278
Energy: 0.4229446723826498
Energy: 0.4202856848678702
Energy: 0.3956701206275078
Energy: 0.423023809126425
Energy: 0.42062053409413186
Energy: 0.6101289530556002
Energy: 0.4277629375432085
Energy: 0.428454515526952
Energy: 0.4267545077247317
Energy: 0.4278532237110755
Energy: 0.42775959079970316
Energy: 0.5352085020392497
Energy: 0.4262006069466866
Energy: 0.42721480142079
Energy: 0.41742039430562095
Energy: 0.4268097765193951
Energy: 0.421335816164973
Energy: 0.5357010407448353
Energy: 0.446225615325083
Energy: 0.4418098096001288
Energy: 0.4172847673461148
Energy: 0.46670662443390254
Energy: 0.4172267321905012
Energy: 0.5169595392271331
Energy: 0.42605235315703927
Energy: 0.43152315358004395
Energy: 0.43943633349037703
Energy: 0.42617965275273056
Energy: 0.416799682780239
Energy: 0.454200375724649
Energy: 0.41726861316644775
Energy: 0.41914038346739857
Energy: 0.42604568138091714
Energy: 0.4171413120005061
Energy: 0.41960920344640057
Energy: 0.45545252216391047
Energy: 0.448396218680175
Energy: 0.4311638089425714
Energy: 0.42851258425986466
Energy: 0.43917410482420205
Energy: 0.4293704827783009
Energy: 0.5306044897352801
Energy: 0.4206215078510301
Energy: 0.4199398593161177
Energy: 0.5310942154944269
Energy: 0.42022717763446554
Energy: 0.4202810997461078
Energy: 0.4260162347255557
Energy: 0.4037934122437206
Energy: 0.404769402469814
Energy: 0.42607834939858147
Energy: 0.40585861936284556
Energy: 0.4048229791670831
Energy: 0.42543833586907376
Energy: 0.39839642126339475
Energy: 0.40664958158871317
Energy: 0.4254074284344431
Energy: 0.4064958225957497
Energy: 0.4182551333073197
Energy: 0.43300804004493554
Energy: 0.42045009198368655
Energy: 0.42096807944128334
Energy: 0.4258812449119606
Energy: 0.4205101696952624
Energy: 0.4226897001391426
Energy: 0.4313653322924755
Energy: 0.4135409701582017
Energy: 0.4263505326708365
Energy: 0.42724363201759996
Energy: 0.4184378101907165
Energy: 0.42619063116669426
Energy: 0.42966178563772545
Energy: 0.3965933252424939
Energy: 0.4030971087047197
Energy: 0.4223003972134248
Energy: 0.3965444533053131
Energy: 0.40334255415212567
Energy: 0.5107973581367857
Energy: 0.41635744540353803
Energy: 0.4243897864377242
Energy: 0.4434337805135761
Energy: 0.4167034150106021
Energy: 0.403049256941167
Energy: 0.4916942930455641
Energy: 0.4386071442634518
Energy: 0.4284619149370749
Energy: 0.42781797693809426
Energy: 0.4373318321141795
Energy: 0.42819446886059215
Energy: 0.48960632374996704
Energy: 0.42891779439347416
Energy: 0.42924845418266605
Energy: 0.4284640975585056
Energy: 0.4284384107408418
Energy: 0.42876031002712656
Energy: 0.5975927959012073
Energy: 0.4294088969378485
Energy: 0.42890208448962636
Energy: 0.4613286582592499
Energy: 0.4282364240561425
Energy: 0.4279871739133234
Energy: 0.5643885878241576
Energy: 0.4222325341447017
Energy: 0.42174213159031626
Energy: 0.4044153370309266
Energy: 0.47938093653650166
Energy: 0.42070040403156406
Energy: 0.5611363245480329
Energy: 0.4276602095671844
Energy: 0.4121519096229595
Energy: 0.40425286763765567
Energy: 0.42587275347360454
Energy: 0.39654381455186244
Energy: 0.5804751352594564
Energy: 0.4261977619096265
Energy: 0.42586129361527
Energy: 0.41819890074633176
Energy: 0.4255821426098838
Energy: 0.4253608822790347

minimum gb energy = 0.3956701206275078 eV
minimum distance =  2.56743716740027 Angstroms
sigma value = 33


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

Energy: 0.6733124862661289
Energy: 0.4235607547130209
Energy: 0.4264738314855044
Energy: 0.5444098704262013
Energy: 0.4235417203769761
Energy: 0.4434804332406569
Energy: 0.5977912114599088
Energy: 0.4268900498986822
Energy: 0.42299446295776866
Energy: 0.39783385372962327
Energy: 0.42701328467229577
Energy: 0.39964448555208204
Energy: 0.5557642759387785
Energy: 0.43352241814407527
Energy: 0.4087975654193426
Energy: 0.40410041650108797
Energy: 0.43415414466796864
Energy: 0.39850687641830074
Energy: 0.556155296812383
Energy: 0.43515368755935047
Energy: 0.436040650137534
Energy: 0.40395508297064314
Energy: 0.4559562275899367
Energy: 0.4256930549579854
Energy: 0.5406864987805532
Energy: 0.4537641711124382
Energy: 0.4296491648936189
Energy: 0.40091542331504126
Energy: 0.43042137051439244
Energy: 0.4562447204866618
Energy: 0.5568831431727449
Energy: 0.44364528718282537
Energy: 0.4500749343961226
Energy: 0.4204646232910219
Energy: 0.44277265610771205
Energy: 0.4231070525598624
Energy: 0.5583514563116773
Energy: 0.4506821399928451
Energy: 0.4292337744564849
Energy: 0.4288451427685466
Energy: 0.46258138946410887
Energy: 0.4305765462442389
Energy: 0.5281364804338029
Energy: 0.4277340195011201
Energy: 0.43005440897864405
Energy: 0.44631694984781056
Energy: 0.4278390723436869
Energy: 0.42920717704884004
Energy: 0.4822168749044894
Energy: 0.4286245831482672
Energy: 0.4315733193408264
Energy: 0.46052241145119927
Energy: 0.42819594343669193
Energy: 0.4311228556615491
Energy: 0.47922352369376936
Energy: 0.45260130394176307
Energy: 0.44816296187917776
Energy: 0.4573375085385884
Energy: 0.4668454442468547
Energy: 0.45615752715411745
Energy: 0.488149659669126
Energy: 0.40709712789636987
Energy: 0.4071233663146339
Energy: 0.4889156044555188
Energy: 0.4071318826478403
Energy: 0.4074724879761008
Energy: 0.4539962263432978
Energy: 0.3620994592162265
Energy: 0.42313550774315317
Energy: 0.45427335210866643
Energy: 0.36203456219408
Energy: 0.42776129287084136
Energy: 0.4586106345463278
Energy: 0.428976836493927
Energy: 0.4287252296147853
Energy: 0.45872526342038233
Energy: 0.44465690307888395
Energy: 0.4289708215194054
Energy: 0.49704813442748425
Energy: 0.42593114627370066
Energy: 0.42572164577719834
Energy: 0.48763357311312333
Energy: 0.42567127806990973
Energy: 0.43946625819291757
Energy: 0.46821155715327123
Energy: 0.434963943605257
Energy: 0.4542320056845275
Energy: 0.45075399889275064
Energy: 0.47505105089234106
Energy: 0.4489707499211644
Energy: 0.4606429280049536
Energy: 0.4185056806514998
Energy: 0.42064774913152736
Energy: 0.4412308968393608
Energy: 0.4186866263944187
Energy: 0.4201347285682155
Energy: 0.5476461626648904
Energy: 0.42380414397291327
Energy: 0.4239911575215621
Energy: 0.4686429339563265
Energy: 0.42368491392172397
Energy: 0.42581152071391176
Energy: 0.4909332217888
Energy: 0.44866869748448557
Energy: 0.434809784215365
Energy: 0.42777242782618424
Energy: 0.44799629767364874
Energy: 0.42882954003271817
Energy: 0.4935802863417443
Energy: 0.45224791032305106
Energy: 0.43116497671600984
Energy: 0.4280066732813211
Energy: 0.46067165021755824
Energy: 0.4325314434794826
Energy: 0.6137115940488211
Energy: 0.459072111431548
Energy: 0.45845868811252427
Energy: 0.4650047048003002
Energy: 0.4591259155745617
Energy: 0.45276369889892576
Energy: 0.5954520727379667
Energy: 0.448491871394093
Energy: 0.40744077653166183
Energy: 0.36185870469070675
Energy: 0.48906507299559365
Energy: 0.40215061528171925
Energy: 0.595607596457441
Energy: 0.45224463492220257
Energy: 0.4229332217199085
Energy: 0.3618754534524756
Energy: 0.4521857240585105
Energy: 0.423253456509564
Energy: 0.5478852890365892
Energy: 0.4587279072111488
Energy: 0.44926234712176505
Energy: 0.44456280238725976
Energy: 0.46055478134841693
Energy: 0.4285861487896589
Energy: 0.5573906226309476
Energy: 0.4824422803029704
Energy: 0.4817845263254807
Energy: 0.42590748968063386
Energy: 0.489287365525834
Energy: 0.4404926404005219
Energy: 0.5387930698852953
Energy: 0.4498921897108255
Energy: 0.44875489193611595
Energy: 0.47624299446774554
Energy: 0.44981821411371925
Energy: 0.4350440584472279
Energy: 0.5575218151323488
Energy: 0.44061019212950187
Energy: 0.41876537127670077
Energy: 0.41858860005103393
Energy: 0.44106633108383186
Energy: 0.42032484192039266
Energy: 0.5591084549703783
Energy: 0.44721336893230296
Energy: 0.44679329464561884
Energy: 0.4242306047614761
Energy: 0.4415611690458981
Energy: 0.42422766367275416
Energy: 0.5306027500426054
Energy: 0.4278737028005564
Energy: 0.4291851310811392
Energy: 0.4486102361284271
Energy: 0.42787395199949924
Energy: 0.433996040015797
Energy: 0.4849330736887354
Energy: 0.43087880952821506
Energy: 0.4293559016457749
Energy: 0.4616222395820004
Energy: 0.4279819501281927
Energy: 0.4315985016440874
Energy: 0.4838295208019651
Energy: 0.44924055758173254
Energy: 0.43991560990228207
Energy: 0.4607104197979598
Energy: 0.4496615926382105
Energy: 0.45148492103904286
Energy: 0.4795877196566346
Energy: 0.36186122457014525
Energy: 0.36180810595339796
Energy: 0.45385384137956475
Energy: 0.3620480526625207
Energy: 0.4022452060571855
Energy: 0.45085120641899
Energy: 0.3619447440726356
Energy: 0.3619881807288293
Energy: 0.45128154743496973
Energy: 0.361820644812063
Energy: 0.4230032120269702
Energy: 0.45783888338488515
Energy: 0.4283912586510535
Energy: 0.42810776883998064
Energy: 0.45846394353890635
Energy: 0.44463560992371437
Energy: 0.43498611111218566
Energy: 0.45603153022955406
Energy: 0.42587637018269
Energy: 0.43858538690283594
Energy: 0.45571211032498193
Energy: 0.4258643790980955
Energy: 0.4402491040348509
Energy: 0.4681431298940428
Energy: 0.4315265854181312
Energy: 0.43151210920971417
Energy: 0.45241857493837506
Energy: 0.44987621170202075
Energy: 0.4315230834660264
Energy: 0.46180094113560005
Energy: 0.42156550672506105
Energy: 0.42328424303235823
Energy: 0.44593850030051196
Energy: 0.42110518627470195
Energy: 0.42285348495868985
Energy: 0.46264022218922685
Energy: 0.44941147485615407
Energy: 0.4189315252701516
Energy: 0.44672945373269074
Energy: 0.4187509161515922
Energy: 0.4495543805187284
Energy: 0.49343302848931336
Energy: 0.45001383995388355
Energy: 0.4389087950156635
Energy: 0.42795017135407387
Energy: 0.4523638901494234
Energy: 0.43064016745714784
Energy: 0.4903600055081381
Energy: 0.43843394886239895
Energy: 0.40764255538469213
Energy: 0.42787292758758144
Energy: 0.4411214457004214
Energy: 0.42929918590027416
Energy: 0.5736696540967978
Energy: 0.434686252569862
Energy: 0.4321817823268889
Energy: 0.4239706938200462
Energy: 0.4351526847552691
Energy: 0.43092032668496283
Energy: 0.6158050299671866
Energy: 0.4236042937656631
Energy: 0.37971151311590495
Energy: 0.3619676179586592
Energy: 0.42987074409951276
Energy: 0.380846119495414

minimum gb energy = 0.36180810595339796 eV
minimum distance =  2.61229090589538 Angstroms
sigma value = 51


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

Energy: 0.6148705912042537
Energy: 0.433545305359224
Energy: 0.49126075758929616
Energy: 0.4032770423246616
Energy: 0.4334443375868929
Energy: 0.40324224106028395
Energy: 0.53110222468148
Energy: 0.42518254226823204
Energy: 0.4252367607731151
Energy: 0.4585845611526528
Energy: 0.42535474337253876
Energy: 0.4254612053588945
Energy: 0.5501532755084609
Energy: 0.41638817533833383
Energy: 0.41164409102440425
Energy: 0.44298145479816686
Energy: 0.4287714209287473
Energy: 0.3801956033777679
Energy: 0.5499447077140693
Energy: 0.40604624208443507
Energy: 0.38036276162934407
Energy: 0.3833900095707943
Energy: 0.42923290968211814
Energy: 0.39302781570296697
Energy: 0.5305015633477487
Energy: 0.42475011140059227
Energy: 0.4244962829677817
Energy: 0.4067472242196767
Energy: 0.4240181379834851
Energy: 0.42428414915103213
Energy: 0.48359355035864576
Energy: 0.406685507800742
Energy: 0.40596196524654377
Energy: 0.42338211714532187
Energy: 0.4237817478372438
Energy: 0.40578781461444263
Energy: 0.48318035385466945
Energy: 0.40737340546592027
Energy: 0.4049862515494694
Energy: 0.4233247215404068
Energy: 0.40544681827004186
Energy: 0.4239111872702979
Energy: 0.48095728029211915
Energy: 0.3631729560940854
Energy: 0.3744840470770112
Energy: 0.4721025024427676
Energy: 0.36297666239637993
Energy: 0.3840164192446915
Energy: 0.4289207226530308
Energy: 0.3630456721099382
Energy: 0.3629185023387351
Energy: 0.42898063845270284
Energy: 0.3629673275361842
Energy: 0.3912552293158577
Energy: 0.4277830230896438
Energy: 0.3859183268007426
Energy: 0.39670596772503436
Energy: 0.4274356595438451
Energy: 0.38579133126811693
Energy: 0.42692265688232517
Energy: 0.43403169897927696
Energy: 0.40922499853418465
Energy: 0.409506127619611
Energy: 0.4261944795408128
Energy: 0.39459453428883867
Energy: 0.4093353629060545
Energy: 0.43392462799139064
Energy: 0.38489842132049407
Energy: 0.4112573482279516
Energy: 0.429882650572931
Energy: 0.38388791039851866
Energy: 0.41080061523852524
Energy: 0.4341682160225604
Energy: 0.3821843910513055
Energy: 0.3815342629558216
Energy: 0.43146649951482735
Energy: 0.3824833742024109
Energy: 0.39232936246053635
Energy: 0.4340176027742942
Energy: 0.3928193266989788
Energy: 0.39263144617885276
Energy: 0.42787884848597924
Energy: 0.39278389128286234
Energy: 0.3929272830853303
Energy: 0.5089443337697416
Energy: 0.4060863370244631
Energy: 0.38262722654710307
Energy: 0.400130597821356
Energy: 0.44551267661618005
Energy: 0.3823644997664102
Energy: 0.5089699143060731
Energy: 0.40931515167455623
Energy: 0.38164420799758325
Energy: 0.4002472511615676
Energy: 0.4288165637667807
Energy: 0.3997796332731648
Energy: 0.5661823768109777
Energy: 0.43334387260597285
Energy: 0.42954358202087184
Energy: 0.38192665354214494
Energy: 0.4333925451220447
Energy: 0.40810583927789373
Energy: 0.5876234596582819
Energy: 0.41159898145190343
Energy: 0.39366899838764613
Energy: 0.3626989929231779
Energy: 0.4108103584367134
Energy: 0.3937651658919836

minimum gb energy = 0.3626989929231779 eV
minimum distance =  2.69315677948629 Angstroms
sigma value = 19


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

Energy: 0.5140347665027065
Energy: 0.39171767218925424
Energy: 0.33482661232855293
Energy: 0.4599714052688667
Energy: 0.39158267480431336
Energy: 0.4593840694342815
Energy: 0.5335392653115569
Energy: 0.39124181490072374
Energy: 0.3915189200956414
Energy: 0.32287796797769547
Energy: 0.39138189553579783
Energy: 0.3590448017776574
Energy: 0.5329702392051824
Energy: 0.39176633947302225
Energy: 0.39151818010699047
Energy: 0.3228116364560531
Energy: 0.39170891992190726
Energy: 0.39150974309767606
Energy: 0.4436858356379083
Energy: 0.3915445328534098
Energy: 0.3917396172804711
Energy: 0.37001462264233126
Energy: 0.3916132059540781
Energy: 0.3596649488619866
Energy: 0.5330867129574898
Energy: 0.371361739914261
Energy: 0.3725406839474554
Energy: 0.3714343983259329
Energy: 0.37139841203847423
Energy: 0.40511326255135915
Energy: 0.44561189042115307
Energy: 0.3484268565028573
Energy: 0.3345427706267912
Energy: 0.3713176733267894
Energy: 0.37991807216675444
Energy: 0.3712726705133762
Energy: 0.44474379637087225
Energy: 0.3716409306566903
Energy: 0.3715579042439178
Energy: 0.3713448348496987
Energy: 0.3339976022379179
Energy: 0.37216706187282816
Energy: 0.4482110099801363
Energy: 0.31067055053021797
Energy: 0.31065241256666587
Energy: 0.44891124162824025
Energy: 0.31062378168184773
Energy: 0.31070606498873915
Energy: 0.39114760011270266
Energy: 0.3103409751661654
Energy: 0.3103800862255241
Energy: 0.3911500187240358
Energy: 0.3103403923795548
Energy: 0.3103887801964078
Energy: 0.3923737810437868
Energy: 0.3595527857273859
Energy: 0.3914610456867455
Energy: 0.39168757637002827
Energy: 0.3227295937904569
Energy: 0.39123793103071686
Energy: 0.39163099480191443
Energy: 0.42434704139888696
Energy: 0.33275638852410355
Energy: 0.39152464748641014
Energy: 0.37018167398965174
Energy: 0.3594339684288301
Energy: 0.4448446626281064
Energy: 0.37182274789271763
Energy: 0.371590642563628
Energy: 0.3715771398439402
Energy: 0.37185233755816904
Energy: 0.35911380382388836
Energy: 0.3796891419045296
Energy: 0.37228780147315454
Energy: 0.3350402175534386
Energy: 0.38103234115747947
Energy: 0.37174853682792086
Energy: 0.33414666706723395
Energy: 0.44469974158171316
Energy: 0.3717631493160605
Energy: 0.37209808636373365
Energy: 0.37156352087909994
Energy: 0.37138805349810017
Energy: 0.37231505778105256
Energy: 0.5042307641262375
Energy: 0.3590385965838352
Energy: 0.3590940870342834
Energy: 0.3105548053992213
Energy: 0.35911385000153473
Energy: 0.3104968897256063
Energy: 0.5056760030043528
Energy: 0.3591970936676672
Energy: 0.31077011818261213
Energy: 0.3109484202559822
Energy: 0.3913057388851384
Energy: 0.3108332846353035
Energy: 0.533195791358756
Energy: 0.3913564807043532
Energy: 0.3912129584320796
Energy: 0.32258793076892445
Energy: 0.39282875295567654
Energy: 0.3919648869983871
Energy: 0.4445485315747715
Energy: 0.3916218274709722
Energy: 0.39171188314086075
Energy: 0.36992274799338487
Energy: 0.3916815768906791
Energy: 0.3919164929339305
Energy: 0.4465680116689506
Energy: 0.3916946704926989
Energy: 0.3917702469123845
Energy: 0.3699369327210631
Energy: 0.3917402296138442
Energy: 0.39189257385770254
Energy: 0.4450627688208331
Energy: 0.38007674338007913
Energy: 0.3718302848295361
Energy: 0.3715170775136602
Energy: 0.37968054860440176
Energy: 0.3711935838975379
Energy: 0.4451774107421253
Energy: 0.3719666714987413
Energy: 0.3720881728942675
Energy: 0.3714527659741951
Energy: 0.37143211486011185
Energy: 0.37186960617794546
Energy: 0.44460465591407233
Energy: 0.3597641384736772
Energy: 0.3714333582434037
Energy: 0.37150548319580423
Energy: 0.32273328892890163
Energy: 0.37135308392919303
Energy: 0.4487879398682396
Energy: 0.3106349184833621
Energy: 0.3110580680871558
Energy: 0.44856218624345223
Energy: 0.310524073036728
Energy: 0.33476857444928304
Energy: 0.3913080647727175
Energy: 0.3595561614561999
Energy: 0.35905500188280653
Energy: 0.39132413845155845
Energy: 0.31053828949601453
Energy: 0.3590413981934861
Energy: 0.39159306125787513
Energy: 0.32263524411072847
Energy: 0.3914386927876185
Energy: 0.3915534216291341
Energy: 0.3229007414229311
Energy: 0.3914300779549424
Energy: 0.45021845627947316
Energy: 0.37009308067363683
Energy: 0.41027351212700053
Energy: 0.391720618736911
Energy: 0.3700742706041155
Energy: 0.3592582802500718
Energy: 0.4446305896497356
Energy: 0.37162990512585203
Energy: 0.4048946102621634
Energy: 0.3712543546442044
Energy: 0.37146818177930707
Energy: 0.40445191359144417
Energy: 0.37973741618315404
Energy: 0.3722165214685561
Energy: 0.37200419568073245
Energy: 0.37975065989132195
Energy: 0.3716062218447346
Energy: 0.3710753136165727
Energy: 0.4449259894613682
Energy: 0.3718627289763764
Energy: 0.37244941485083094
Energy: 0.33403437638354916
Energy: 0.37158161137027207
Energy: 0.3715135236414503
Energy: 0.5045959953715474
Energy: 0.35913376004981384
Energy: 0.3105433371679516
Energy: 0.31084780448756766
Energy: 0.35920046894860413
Energy: 0.3106529922059556

minimum gb energy = 0.3103403923795548 eV
minimum distance =  2.72834457748156 Angstroms
sigma value = 27


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

Energy: 0.44544922920977564
Energy: 0.40366190785209455
Energy: 0.5137518992027712
Energy: 0.4225745699219468
Energy: 0.40364118407601246
Energy: 0.5133019046532084
Energy: 0.44596557048528557
Energy: 0.40332332300268225
Energy: 0.4035053202925239
Energy: 0.3565849308714224
Energy: 0.40336895879065576
Energy: 0.403578838156217
Energy: 0.5616795437339027
Energy: 0.4037127639263665
Energy: 0.4036124162851335
Energy: 0.35556961379564883
Energy: 0.40359528621758656
Energy: 0.3742309007576961
Energy: 0.563892837694587
Energy: 0.3738790055792381
Energy: 0.3739479375854187
Energy: 0.35495285055055403
Energy: 0.3736890432118295
Energy: 0.3734960106194489
Energy: 0.4457697962869197
Energy: 0.3054046157098135
Energy: 0.35738105723912816
Energy: 0.3736141300047087
Energy: 0.30536686345479674
Energy: 0.3565797326482123
Energy: 0.40370881438438927
Energy: 0.3054735359304594
Energy: 0.3057094341825209
Energy: 0.4042237045098497
Energy: 0.3054619966311604
Energy: 0.30561162543749565
Energy: 0.40583593573368343
Energy: 0.35777747070001753
Energy: 0.3733459868183955
Energy: 0.4042034194610012
Energy: 0.35580309184861497
Energy: 0.40319490023068827
Energy: 0.40349338120968037
Energy: 0.37350723987208606
Energy: 0.37323397947651515
Energy: 0.40347333071514374
Energy: 0.37298334633558244
Energy: 0.37320881243809806
Energy: 0.4095314474604175
Energy: 0.3733393428719612
Energy: 0.38642333258794176
Energy: 0.40398545992389034
Energy: 0.35775913632905465
Energy: 0.3869509358881626
Energy: 0.3681855442163794
Energy: 0.3241909364633723
Energy: 0.3229632124647521
Energy: 0.3562409266129145
Energy: 0.3233496271435103
Energy: 0.32298370513192576
Energy: 0.40907502814438496
Energy: 0.3966432822857982
Energy: 0.39866292993008845
Energy: 0.3572383350983839
Energy: 0.39595378296210787
Energy: 0.3242023891586969
Energy: 0.6624766908166403
Energy: 0.3560764024059244
Energy: 0.3555460977315239
Energy: 0.3568344008541498
Energy: 0.3562407220566438
Energy: 0.35576228975336543

minimum gb energy = 0.30536686345479674 eV
minimum distance =  2.64333949657769 Angstroms
sigma value = 9


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

Energy: 0.7520260904555517
Energy: 0.35294803725503787
Energy: 0.41127497963490933
Energy: 0.4122335754049296
Energy: 0.35283027871690315
Energy: 0.41114789208890484
Energy: 0.35433735969670793
Energy: 0.353047587264439
Energy: 0.3531381103010465
Energy: 0.34651813001020354
Energy: 0.35306958803535066
Energy: 0.3337640230961552
Energy: 0.4503924981626917
Energy: 0.35811054500900175
Energy: 0.33462264779199735
Energy: 0.3446342655674717
Energy: 0.3570023320340537
Energy: 0.3334786393422004
Energy: 0.44985037521806126
Energy: 0.33481064544087263
Energy: 0.33444148758642966
Energy: 0.36111150260440644
Energy: 0.3876481762075689
Energy: 0.3086521000616236
Energy: 0.5174274146739962
Energy: 0.37554627392217926
Energy: 0.3885122776231801
Energy: 0.36863066340855366
Energy: 0.3856084234412128
Energy: 0.36651113806661056
Energy: 0.3686527862996984
Energy: 0.33731544988364526
Energy: 0.3917833285694902
Energy: 0.368815651946259
Energy: 0.3338079602106593
Energy: 0.3664325018146543
Energy: 0.368746437107106
Energy: 0.35760590623079347
Energy: 0.3682347739901184
Energy: 0.3689836137956825
Energy: 0.353032881990773
Energy: 0.36900077196125136
Energy: 0.3729085318825129
Energy: 0.34368582149280463
Energy: 0.3517919224875244
Energy: 0.37297699960554415
Energy: 0.3421722165596351
Energy: 0.37311458784425167
Energy: 0.5237482015685023
Energy: 0.36056863450858884
Energy: 0.38455177980181154
Energy: 0.37493676125802616
Energy: 0.3617713439832091
Energy: 0.36034536642311077
Energy: 0.5193172913292716
Energy: 0.37549814387629266
Energy: 0.37510071144775775
Energy: 0.3682737853974484
Energy: 0.38727684212250624
Energy: 0.32740937267473963
Energy: 0.518328924910505
Energy: 0.36870430976341506
Energy: 0.36866101435949566
Energy: 0.3351606716543961
Energy: 0.3753981416324487
Energy: 0.39666817462701376
Energy: 0.53272691712879
Energy: 0.36831723831695723
Energy: 0.3685289600977112
Energy: 0.38335918166947563
Energy: 0.3691734250105378
Energy: 0.36806292827482084
Energy: 0.5687975728366037
Energy: 0.36965675333006515
Energy: 0.40070312080506604
Energy: 0.38082243307268154
Energy: 0.36965482751485707
Energy: 0.39904957906032146
Energy: 0.5259711048396113
Energy: 0.36807345156063814
Energy: 0.36415975061397426
Energy: 0.3827214275265882
Energy: 0.36984856392569504
Energy: 0.34557492268895074
Energy: 0.3533069545834952
Energy: 0.3618634615462373
Energy: 0.35753159738581525
Energy: 0.3537557303073554
Energy: 0.36227202533697817
Energy: 0.3737458274635774
Energy: 0.35425111313251584
Energy: 0.3206012193030063
Energy: 0.3205786782852934
Energy: 0.3536856696772424
Energy: 0.3426416915706664
Energy: 0.333455910551495
Energy: 0.3533462437642328
Energy: 0.3547130970644629
Energy: 0.36904634562159305
Energy: 0.3533580280817617
Energy: 0.3663656298672237
Energy: 0.3332502116665626
Energy: 0.4255841896355687
Energy: 0.37363544457439646
Energy: 0.3834778449010096
Energy: 0.35319271914066286
Energy: 0.35996348479600454
Energy: 0.36945045844217034
Energy: 0.3556739708808653
Energy: 0.32521378273000956
Energy: 0.30859556829517504
Energy: 0.34508368079417084
Energy: 0.32497143429027153
Energy: 0.3083506230762861
Energy: 0.35430050211397796
Energy: 0.325794553891877
Energy: 0.32651693437512214
Energy: 0.34230622538880173
Energy: 0.34429444697255335
Energy: 0.30948714667257166
Energy: 0.3527509506057733
Energy: 0.3452892780075448
Energy: 0.33221510431908297
Energy: 0.3578331022318036
Energy: 0.3447156241039005
Energy: 0.3085880752866043
Energy: 0.6190235212858715
Energy: 0.35331666139469337
Energy: 0.36884798978179206
Energy: 0.3823727347990422
Energy: 0.35337191775577015
Energy: 0.3916702887465974
Energy: 0.5518506956447956
Energy: 0.3533556182213811
Energy: 0.3337548087032012
Energy: 0.3849542679164328
Energy: 0.35324120769860096
Energy: 0.36467050990434596
Energy: 0.44929448887759765
Energy: 0.35479771812413446
Energy: 0.3543717649707349
Energy: 0.34282723618116967
Energy: 0.3544360436084721
Energy: 0.33354086116941706
Energy: 0.4501124670661073
Energy: 0.35387749915898353
Energy: 0.3403591780084605
Energy: 0.3623990720782685
Energy: 0.35527026468115613
Energy: 0.37378883334534285
Energy: 0.3530260769458956
Energy: 0.36392733119233456
Energy: 0.3801784047526306
Energy: 0.3691027755925477
Energy: 0.3672685684724702
Energy: 0.3569738623893386
Energy: 0.41992613460758826
Energy: 0.3803597288884554
Energy: 0.39247851777266374
Energy: 0.4197931214445983
Energy: 0.3820700174143794
Energy: 0.3522949301719669
Energy: 0.3683346147676176
Energy: 0.35594622074823845
Energy: 0.36869224221867114
Energy: 0.36837826146314917
Energy: 0.3676129266489074
Energy: 0.3685814082008176
Energy: 0.3681827263419953
Energy: 0.35467817872383184
Energy: 0.35934283364066477
Energy: 0.3682325023618458
Energy: 0.36164033179785793
Energy: 0.3683432117207161
Energy: 0.5037053554349377
Energy: 0.34365659443564606
Energy: 0.33710395854260095
Energy: 0.43448728575842527
Energy: 0.3607686500077941
Energy: 0.35846808663967483
Energy: 0.5191726124142768
Energy: 0.3756659527974158
Energy: 0.39543911551757743
Energy: 0.33697463094380276
Energy: 0.3763123800100148
Energy: 0.37674729552856023
Energy: 0.5203061213167073
Energy: 0.3708722284519732
Energy: 0.37334265646326326
Energy: 0.3692170471404015
Energy: 0.37325051693994776
Energy: 0.3609480803894237
Energy: 0.44133037253737645
Energy: 0.36881999243994534
Energy: 0.36881713608695516
Energy: 0.37308528879217984
Energy: 0.36915920207874797
Energy: 0.3684219699041929
Energy: 0.5692709472396835
Energy: 0.37010276659262353
Energy: 0.3698793392389564
Energy: 0.3791230644068749
Energy: 0.36991020858328566
Energy: 0.3727321803223238
Energy: 0.5356490966607107
Energy: 0.36803002715740557
Energy: 0.3965565229468434
Energy: 0.3604769440625832
Energy: 0.3680942054526325
Energy: 0.3559973553357447
Energy: 0.40670944423692756
Energy: 0.35097777062826946
Energy: 0.37405209060234573
Energy: 0.36717652193128686
Energy: 0.3521752352829625
Energy: 0.3090830463131418
Energy: 0.3552624836553957
Energy: 0.34419347303770526
Energy: 0.3198069175332815
Energy: 0.35564596391341335
Energy: 0.34410442323417884
Energy: 0.335414192584116
Energy: 0.3532791361397381
Energy: 0.34751309143924547
Energy: 0.36682144771170455
Energy: 0.35325942912900743
Energy: 0.3480828473168083
Energy: 0.3531718817610282
Energy: 0.4106046063291371
Energy: 0.45040348539057273
Energy: 0.4005793093675197
Energy: 0.41052465977743097
Energy: 0.36794160873019355
Energy: 0.36826253545018545
Energy: 0.3548463595696299
Energy: 0.34743313536974885
Energy: 0.3473732856190703
Energy: 0.3532703251021749
Energy: 0.34675732208343835
Energy: 0.3255217567320318
Energy: 0.3550162641518492
Energy: 0.34190219283951445
Energy: 0.32874544751657764
Energy: 0.34373030088443934
Energy: 0.32491344103319314
Energy: 0.3244458337402905
Energy: 0.3533532496015039
Energy: 0.34508004838423106
Energy: 0.34550697908625466
Energy: 0.34187445409358475
Energy: 0.3447752064099699
Energy: 0.3114495669962449
Energy: 0.5516505186479159
Energy: 0.3533037844410343
Energy: 0.3349216866812612
Energy: 0.3845167838117448
Energy: 0.3532379843829727
Energy: 0.36446241234384813

minimum gb energy = 0.3083506230762861 eV
minimum distance =  2.62225552804577 Angstroms
sigma value = 57


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

Energy: 0.15915008196775052
Energy: 0.4867910361527828
Energy: 0.1595686689237008
Energy: 0.16053360636116543
Energy: 0.4848181723180789
Energy: 0.15982284988822
Energy: 0.20746674207619165
Energy: 0.16549705066673057
Energy: 0.16557393882386637
Energy: 0.18197852536318898
Energy: 0.1673276162529509
Energy: 0.16543037797068302
Energy: 0.2059500035641142
Energy: 0.18069771490688658
Energy: 0.18088126856080095
Energy: 0.18240839736003056
Energy: 0.18036606579416448
Energy: 0.1813331186741516
Energy: 0.2059568058138357
Energy: 0.1806470281050201
Energy: 0.18092271098882437
Energy: 0.18112843977031223
Energy: 0.1806462424456393
Energy: 0.18110391796673034
Energy: 0.20622714067326742
Energy: 0.15987859105808855
Energy: 0.17597742224869184
Energy: 0.18248789535487522
Energy: 0.15956862520978526
Energy: 0.1853206398904696
Energy: 0.18017749995756288
Energy: 0.15961584023710548
Energy: 0.15985434084078784
Energy: 0.16523409877334758
Energy: 0.15935194303379335
Energy: 0.17386236484508796
Energy: 0.18020680807929915
Energy: 0.16556251784294768
Energy: 0.1655593627556692
Energy: 0.18148792079025905
Energy: 0.16744721927578982
Energy: 0.16645764582171213
Energy: 0.1803035957702099
Energy: 0.2057486968708968
Energy: 0.20510006612470214
Energy: 0.18034323597143373
Energy: 0.1822764899515922
Energy: 0.18090979080227376
Energy: 0.20625790846149347
Energy: 0.18668737615216685
Energy: 0.18509123026336938
Energy: 0.18046631387081968
Energy: 0.18331310526573963
Energy: 0.18110569841279456
Energy: 0.15925743489264788
Energy: 0.1861907836965826
Energy: 0.17463422040425042
Energy: 0.15941445530125506
Energy: 0.18277408627596595
Energy: 0.17424492963855348
Energy: 0.15924136732918875
Energy: 0.1654326192433209
Energy: 0.16581009544113964
Energy: 0.1593887408856024
Energy: 0.16823364885112002
Energy: 0.17564869625492643
Energy: 0.20870056897578135
Energy: 0.18149701718220068
Energy: 0.18490460403303208
Energy: 0.1666281341587611
Energy: 0.1808707208253315
Energy: 0.1661769060311777
Energy: 0.20604244195277774
Energy: 0.20513756636736552
Energy: 0.20527768840791602
Energy: 0.20552304064824123
Energy: 0.20598912891765905
Energy: 0.20535101925197988
Energy: 0.20723718077171557
Energy: 0.18113528001668003
Energy: 0.18544484786496745
Energy: 0.18328518012512163
Energy: 0.18303579678512527
Energy: 0.16574253468637232
Energy: 0.16479474229549823
Energy: 0.15947448892569005
Energy: 0.1597068385679846
Energy: 0.16485808821840747
Energy: 0.16212761358656455
Energy: 0.1600125984301508
Energy: 0.18295399161809053
Energy: 0.1758735364884314
Energy: 0.16567480913810914
Energy: 0.20069045383291892
Energy: 0.15968470791638367
Energy: 0.16552314202124233
Energy: 0.18038066508618392
Energy: 0.1888599329242249
Energy: 0.1851013093661694
Energy: 0.1803665109327091
Energy: 0.18174283758543877
Energy: 0.18126204384089536
Energy: 0.20616330697505694
Energy: 0.18225945233023413
Energy: 0.2056689916461577
Energy: 0.2058063597023274
Energy: 0.18199022198506137
Energy: 0.18113716572548913
Energy: 0.15928215265514659
Energy: 0.165501402645385
Energy: 0.16542589702023602
Energy: 0.15945692072519743
Energy: 0.168091128303901
Energy: 0.18557346724939477

minimum gb energy = 0.15915008196775052 eV
minimum distance =  2.73273912245649 Angstroms
sigma value = 11


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

Energy: 0.6436685443063611
Energy: 0.3220562566195414
Energy: 0.3908184759993975
Energy: 0.4734488031623474
Energy: 0.8239161299484392
Energy: 0.3943957474687259
Energy: 0.3844717399835511
Energy: 0.3434607257760292
Energy: 0.3299021354795821
Energy: 0.36211536918428344
Energy: 0.3254722854815506
Energy: 0.3404340957467749
Energy: 0.3211607219116862
Energy: 0.32411527706586346
Energy: 0.3216374555646468
Energy: 0.3225747017392893
Energy: 0.3218039779481734
Energy: 0.3206037073800374
Energy: 0.321124973373641
Energy: 0.320254170117518
Energy: 0.31285261260080355
Energy: 0.32251700443740694
Energy: 0.3470554603373302
Energy: 0.3259350358265478
Energy: 0.3201121868681645
Energy: 0.3315528992806979
Energy: 0.3352149096134093
Energy: 0.33563701950960123
Energy: 0.3653722368902975
Energy: 0.3244853026914866
Energy: 0.40741736151587526
Energy: 0.33514086109221985
Energy: 0.31966033415759104
Energy: 0.3543684152484155
Energy: 0.369952602728689
Energy: 0.3285080717095786
Energy: 0.395321980796697
Energy: 0.3233381390281877
Energy: 0.3112899718878247
Energy: 0.32597025951982356
Energy: 0.35712058541121516
Energy: 0.31659511335468565
Energy: 0.33683653358430826
Energy: 0.34046088438208943
Energy: 0.337622758196307
Energy: 0.33824092219996227
Energy: 0.33948614231537294
Energy: 0.36273332729190116
Energy: 0.41083985503840836
Energy: 0.3355842702054101
Energy: 0.32575153203324514
Energy: 0.3456355860267436
Energy: 0.3367920608578429
Energy: 0.33694718795916084
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Energy: 0.33586359497581847
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Energy: 0.3285572055530872
Energy: 0.3332885953407911
Energy: 0.3649637192529418
Energy: 0.350906136158151
Energy: 0.33549746826724136
Energy: 0.4849910457775937
Energy: 0.3082513299888485
Energy: 0.32372738255305594
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Energy: 0.3200420248508431
Energy: 0.3658640682811617
Energy: 0.33738746463349945
Energy: 0.33355492385124874
Energy: 0.36674327562511305
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Energy: 0.3330531298906603
Energy: 0.5383155769983364
Energy: 0.4194552524146964
Energy: 0.4191431661412813
Energy: 0.36626822430421635
Energy: 0.41903103495838523
Energy: 0.3371192314573647
Energy: 0.5001411460445665
Energy: 0.33289141587179044
Energy: 0.3336420059820467
Energy: 0.35146235575317675
Energy: 0.3670759317195535
Energy: 0.3335770032071817
Energy: 0.4479318714550585
Energy: 0.4135233018217153
Energy: 0.3806871112212109
Energy: 0.310405408609419
Energy: 0.43296589063763236
Energy: 0.3043440307522011
Energy: 0.49627501444229777
Energy: 0.3281047404236136
Energy: 0.33005977108499784
Energy: 0.3615530647447975
Energy: 0.374253405434879
Energy: 0.3359687043586148
Energy: 0.4736969587622128
Energy: 0.3337701343392028
Energy: 0.33375303869519546
Energy: 0.3351508815871326
Energy: 0.36928551918552305
Energy: 0.32215631254553645
Energy: 0.39306677160915166
Energy: 0.44499280142174774
Energy: 0.3332448702974135
Energy: 0.3251094785846562
Energy: 0.43214092575774665
Energy: 0.34017000508930956
Energy: 0.4913431204414096
Energy: 0.3321976130042635
Energy: 0.3384392329740175
Energy: 0.3470882322389128
Energy: 0.3710790993225222
Energy: 0.3344981797997542
Energy: 0.5374683684163412
Energy: 0.41550480663835193
Energy: 0.4159512734517374
Energy: 0.5291100083474808
Energy: 0.4646855185198021
Energy: 0.43109671787926757
Energy: 0.33223645790516065
Energy: 0.3338768842810114
Energy: 0.33468463659446196
Energy: 0.34712485336529236
Energy: 0.33672597689638
Energy: 0.3206054118370166
Energy: 0.33871823498472575
Energy: 0.32399283963743836
Energy: 0.3216345946020197
Energy: 0.3377999769742712
Energy: 0.3218830993073056
Energy: 0.31873085723519495
Energy: 0.39028145275129605
Energy: 0.3245645195762236
Energy: 0.3243156563501576
Energy: 0.4004692892033717
Energy: 0.3231179408324102
Energy: 0.322520018636319
Energy: 0.5113193489789418
Energy: 0.3371926756469064
Energy: 0.33872231211721254
Energy: 0.3691938526030375
Energy: 0.34654031565734533
Energy: 0.3005320238605161

minimum gb energy = 0.3005320238605161 eV
minimum distance =  2.69329764897092 Angstroms
sigma value = 41


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

Energy: 0.6492066740159608
Energy: 0.7030745415449742
Energy: 0.6389255042520531
Energy: 0.4466997826564932
Energy: 0.7165846030504479
Energy: 0.47674911320312097
Energy: 0.48106879996578494
Energy: 0.3391967505174442
Energy: 0.3444809831628976
Energy: 0.3654760160071149
Energy: 0.34330998004969027
Energy: 0.3673945475375714
Energy: 0.39446498405798297
Energy: 0.38723453362150784
Energy: 0.3412319700008016
Energy: 0.40066923350524913
Energy: 0.34325648977435297
Energy: 0.38641220106922
Energy: 0.3915980404653831
Energy: 0.38174759493423877
Energy: 0.34460927858291307
Energy: 0.4024030277137318
Energy: 0.3432381540827912
Energy: 0.38197101199545297
Energy: 0.3925103316651084
Energy: 0.38857064496207017
Energy: 0.38838127213371426
Energy: 0.39298172954540445
Energy: 0.40411549789878876
Energy: 0.3403168614840082
Energy: 0.48464032900043946
Energy: 0.3712702858673121
Energy: 0.40207465234056483
Energy: 0.40409585413485066
Energy: 0.4019653442965464
Energy: 0.4427730425236857
Energy: 0.49120381954696446
Energy: 0.38600998775475504
Energy: 0.3859255628935733
Energy: 0.41320785568930873
Energy: 0.38583805629742624
Energy: 0.3912993641232508
Energy: 0.41469679302000173
Energy: 0.40016718712318533
Energy: 0.39960941696865593
Energy: 0.41004262907871913
Energy: 0.4165646998814634
Energy: 0.35034194629020987
Energy: 0.4933386337042053
Energy: 0.39857158126683667
Energy: 0.3964850408195631
Energy: 0.40305342534588795
Energy: 0.398564256528721
Energy: 0.3952726189849729
Energy: 0.4960596627838593
Energy: 0.41614374237890456
Energy: 0.4169112350219958
Energy: 0.3749032190264894
Energy: 0.39816249021064465
Energy: 0.3961233406792291
Energy: 0.49315495002514104
Energy: 0.40871349205756274
Energy: 0.40793530510594367
Energy: 0.378290603749653
Energy: 0.4097329895453165
Energy: 0.4085513329852236
Energy: 0.5719594457396601
Energy: 0.3619789222234006
Energy: 0.36203464516351136
Energy: 0.4769134324514895
Energy: 0.36349398488334467
Energy: 0.4158370065369348
Energy: 0.4194311710540879
Energy: 0.3727790190452988
Energy: 0.3845167196060579
Energy: 0.4172711809742277
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Energy: 0.3863400080524649
Energy: 0.4175662660329434
Energy: 0.4079413408994875
Energy: 0.4068571302441117
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Energy: 0.4036830747344811
Energy: 0.43290483266156027
Energy: 0.43163802148533464
Energy: 0.448201226132896
Energy: 0.4335035928009454
Energy: 0.4292816196229655
Energy: 0.43160777469093137
Energy: 0.49171105934931947
Energy: 0.3869350030260173
Energy: 0.38018989480914295
Energy: 0.4581585118556569
Energy: 0.3851227480515205
Energy: 0.3811083902516347
Energy: 0.540039773725784
Energy: 0.41823843324117727
Energy: 0.32343531998529307
Energy: 0.33224738434875956
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Energy: 0.44230415825801955
Energy: 0.556204831099411
Energy: 0.40674205874223607
Energy: 0.40712018889590423
Energy: 0.40498609655786666
Energy: 0.3872662353526757
Energy: 0.371948897394541
Energy: 0.40272904450080094
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Energy: 0.3865401480728513
Energy: 0.40061009967306377
Energy: 0.3864195862292753
Energy: 0.3807332880501124
Energy: 0.4006057012718886
Energy: 0.38802207940809047
Energy: 0.3850628343709462
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Energy: 0.3871923212094167
Energy: 0.3934909802608279
Energy: 0.40297687025214746
Energy: 0.3886795161776384
Energy: 0.399779064727455
Energy: 0.4048704729187682
Energy: 0.3887997795409911
Energy: 0.3873891540916205
Energy: 0.5764688468768029
Energy: 0.43109499659409645
Energy: 0.431306384174995
Energy: 0.5513930482663686
Energy: 0.5707020394796843
Energy: 0.4316860347634012
Energy: 0.48048157400821656
Energy: 0.3942876553131885
Energy: 0.3924079476886405
Energy: 0.42042065956682945
Energy: 0.3914339729219684
Energy: 0.3925139689385496
Energy: 0.41478832447408426
Energy: 0.43220338299744726
Energy: 0.42785491482155524
Energy: 0.40995300678990815
Energy: 0.43497479629372454
Energy: 0.35698943467920113
Energy: 0.479118279948892
Energy: 0.3992553917307898
Energy: 0.4003571485601401
Energy: 0.426312782221946
Energy: 0.39872011528884643
Energy: 0.39608469144807634
Energy: 0.49341167666891556
Energy: 0.4137704633890674
Energy: 0.41424039475475294
Energy: 0.37819929767630567
Energy: 0.39577627202008037
Energy: 0.41338394596384803
Energy: 0.495024616786323
Energy: 0.38562675255856854
Energy: 0.3880036275520883
Energy: 0.38267351817693923
Energy: 0.3934839331907813
Energy: 0.384646071103956
Energy: 0.5862610565512496
Energy: 0.3659854498528721
Energy: 0.4010007122985437
Energy: 0.48515285288700205
Energy: 0.3616887096249699
Energy: 0.39977602920014266
Energy: 0.44262892492563716
Energy: 0.4751357328984033
Energy: 0.47516122347732104
Energy: 0.42181488299482883
Energy: 0.3620093254198816
Energy: 0.4749195296322867
Energy: 0.4058695600365955
Energy: 0.40264170456593174
Energy: 0.4038634964188435
Energy: 0.38394027402651276
Energy: 0.3681162841963162
Energy: 0.40369819652100347
Energy: 0.4214240993444816
Energy: 0.39678304267145986
Energy: 0.43170735881317507
Energy: 0.43216263243326697
Energy: 0.3422615150820133
Energy: 0.4215199380001799
Energy: 0.48441986996943753
Energy: 0.3431356486962387
Energy: 0.3394301978431977
Energy: 0.4283122010079423
Energy: 0.3431055299204198
Energy: 0.3539194574044071
Energy: 0.5756187580617733
Energy: 0.36604724236058866
Energy: 0.37079955678527377
Energy: 0.3302856117225774
Energy: 0.3779776783294613
Energy: 0.3611807143592926

minimum gb energy = 0.32343531998529307 eV
minimum distance =  2.61983325517792 Angstroms
sigma value = 33


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

Energy: 0.4288377840637441
Energy: 0.7076290236049199
Energy: 0.5448281252254155
Energy: 0.429521943941445
Energy: 0.7057001246098596
Energy: 0.5447052514071123
Energy: 0.5004403339988973
Energy: 0.36562379531196587
Energy: 0.36297601327127604
Energy: 0.3633915395912873
Energy: 0.3906452050745016
Energy: 0.37474046214919005
Energy: 0.39122101018877187
Energy: 0.3637405008104581
Energy: 0.3626900709841215
Energy: 0.38760830639990657
Energy: 0.3869889234716626
Energy: 0.36157711561011446
Energy: 0.39066862094296934
Energy: 0.3676942643538496
Energy: 0.362403706341612
Energy: 0.3889031062471338
Energy: 0.366468994259576
Energy: 0.36242578992629193
Energy: 0.39278902901134455
Energy: 0.36533334328162814
Energy: 0.36392881555169243
Energy: 0.4169631360712673
Energy: 0.3904324584628579
Energy: 0.36315752056884976
Energy: 0.4933667995123167
Energy: 0.36949746661054905
Energy: 0.451262754664001
Energy: 0.4010398885075139
Energy: 0.38883627142239824
Energy: 0.4514152049489689
Energy: 0.5290215939331357
Energy: 0.3910060952286873
Energy: 0.36337163729436794
Energy: 0.39481731141792425
Energy: 0.39101587129741444
Energy: 0.36353332271059485
Energy: 0.42923688382143294
Energy: 0.45097041714328256
Energy: 0.34940411539116856
Energy: 0.43034358035405224
Energy: 0.4485185892168483
Energy: 0.3504912949293186
Energy: 0.4336198262353731
Energy: 0.3650710616206659
Energy: 0.3605068052131116
Energy: 0.3667164618771595
Energy: 0.36186918599101386
Energy: 0.4020398201296822
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Energy: 0.45151124955400673
Energy: 0.4492248905260563
Energy: 0.38740686015229225
Energy: 0.4503135851392549
Energy: 0.36195490020544024
Energy: 0.5325319892545949
Energy: 0.36352805532334814
Energy: 0.36397562651046966
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Energy: 0.3656271101674459
Energy: 0.4243425259750659
Energy: 0.3492630761128131
Energy: 0.3624796524406524
Energy: 0.3646134347454266
Energy: 0.3918713278530135
Energy: 0.3629709780186739
Energy: 0.36589909975798673
Energy: 0.36372898604804427
Energy: 0.448473551293385
Energy: 0.4497471622272292
Energy: 0.447726408248062
Energy: 0.44939121873958354
Energy: 0.4500849160252696
Energy: 0.44825013584507073
Energy: 0.4975037974820367
Energy: 0.366770837419441
Energy: 0.3633696709371591
Energy: 0.366858248054428
Energy: 0.3909933658138448
Energy: 0.3632389017145366
Energy: 0.6283911336458248
Energy: 0.4828482290496207
Energy: 0.5466296119528871
Energy: 0.35073711394944107
Energy: 0.4993865133153791
Energy: 0.547627740982193

minimum gb energy = 0.3490082639363823 eV
minimum distance =  2.69103144657835 Angstroms
sigma value = 67


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

Energy: 0.4966066233035628
Energy: 0.5897604282976281
Energy: 0.36579080826256094
Energy: 0.3675180509526972
Energy: 0.5922568049290784
Energy: 0.36574862959256427
Energy: 0.42686142247051345
Energy: 0.3912536647104179
Energy: 0.39105113699646143
Energy: 0.3901613705717166
Energy: 0.39153808631796383
Energy: 0.39047105301450113
Energy: 0.4316117856561882
Energy: 0.35946655993658727
Energy: 0.3774459806452437
Energy: 0.37724723809265204
Energy: 0.3624584201917537
Energy: 0.3774251180635374
Energy: 0.42615990571492235
Energy: 0.37886082801211995
Energy: 0.3779412954334684
Energy: 0.3770372293087718
Energy: 0.3766284333200785
Energy: 0.3778664721286302
Energy: 0.42869025329446075
Energy: 0.3912672495587179
Energy: 0.39009609585462374
Energy: 0.4293543171789666
Energy: 0.3908034646916333
Energy: 0.3913890852019378
Energy: 0.428091703327074
Energy: 0.3644283943165566
Energy: 0.38981529181649693
Energy: 0.42810310263910467
Energy: 0.362663162183503
Energy: 0.4325027379100339
Energy: 0.48424111082125726
Energy: 0.3916123825248567
Energy: 0.3912164538959097
Energy: 0.35102733028756333
Energy: 0.3914330810041655
Energy: 0.39085569191322594

minimum gb energy = 0.35102733028756333 eV
minimum distance =  2.71716644208495 Angstroms
sigma value = 3


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

Energy: 0.6561795215752406
Energy: 0.6246097759626751
Energy: 0.49008572930556177
Energy: 0.4258920204408668
Energy: 0.6976808529245868
Energy: 0.5026314375638783
Energy: 0.45439654063881935
Energy: 0.46393933120884506
Energy: 0.4217289817644792
Energy: 0.46661219315012725
Energy: 0.487578114153587
Energy: 0.4695647181379446
Energy: 0.4822069399226813
Energy: 0.4272908579924538
Energy: 0.4266185864036972
Energy: 0.46117628138076083
Energy: 0.42739909021119027
Energy: 0.4214652532757711
Energy: 0.44279196188833353
Energy: 0.4192709572129862
Energy: 0.42524134479277
Energy: 0.44193107324179365
Energy: 0.42711084513530945
Energy: 0.4290015486583112
Energy: 0.4477023630618049
Energy: 0.4553350338099118
Energy: 0.45229830328511156
Energy: 0.4497073117266126
Energy: 0.4535868355008195
Energy: 0.45517185906383667
Energy: 0.4742081309098452
Energy: 0.45429609205301796
Energy: 0.45976582973015667
Energy: 0.47563622700629665
Energy: 0.454833164184469
Energy: 0.4563638654706987
Energy: 0.4517453713985005
Energy: 0.4740876042238886
Energy: 0.4973203010097985
Energy: 0.4908584793289903
Energy: 0.5230312764082807
Energy: 0.49537459169998127
Energy: 0.613926900285264
Energy: 0.47085026663614854
Energy: 0.4853803346974626
Energy: 0.4252238457092772
Energy: 0.4874359252799514
Energy: 0.4770309990552529
Energy: 0.5577030487590673
Energy: 0.47641681805933467
Energy: 0.4870939590492126
Energy: 0.5074488144541898
Energy: 0.4716126091836666
Energy: 0.46056454767695665
Energy: 0.5854971288460825
Energy: 0.43502560769369647
Energy: 0.43514057126639255
Energy: 0.585077329087714
Energy: 0.4349584298334943
Energy: 0.44430694612262195
Energy: 0.5176164587375087
Energy: 0.4406093052808208
Energy: 0.4416652055268209
Energy: 0.5158589551739581
Energy: 0.4382280861554972
Energy: 0.475915148618675
Energy: 0.527517470277359
Energy: 0.46546856819644045
Energy: 0.4633559865863418
Energy: 0.4567217724777669
Energy: 0.4761002519334949
Energy: 0.46421415611157785
Energy: 0.5186949706512058
Energy: 0.4583422992390407
Energy: 0.4613233885424326
Energy: 0.45039359544225693
Energy: 0.4570454790192463
Energy: 0.46213963208003195
Energy: 0.5220782453282647
Energy: 0.44454514337828555
Energy: 0.4396741774642982
Energy: 0.440341783184511
Energy: 0.44105916743564594
Energy: 0.43983555680748226
Energy: 0.5473335187881644
Energy: 0.44150703260171376
Energy: 0.4483122999711111
Energy: 0.4390009995363714
Energy: 0.4415239397127119
Energy: 0.45195833804910795
Energy: 0.5884310087077517
Energy: 0.44814409903801755
Energy: 0.4480127004249061
Energy: 0.5229506776486259
Energy: 0.46663797656033246
Energy: 0.447979814784
Energy: 0.5517779518280559
Energy: 0.4629853222449489
Energy: 0.46297151192873826
Energy: 0.5389852851956523
Energy: 0.4428334768297848
Energy: 0.48744084354622225
Energy: 0.6193643724762503
Energy: 0.4701174194474072
Energy: 0.4733462875847503
Energy: 0.5027948366924871
Energy: 0.4769940615488808
Energy: 0.4792294965144109
Energy: 0.644332596931279
Energy: 0.4741864462667868
Energy: 0.45521427917554
Energy: 0.43446397512400986
Energy: 0.4680315423703102
Energy: 0.4352056812583804
Energy: 0.581963158367602
Energy: 0.46169613084987576
Energy: 0.4594191954412008
Energy: 0.4346196761925465
Energy: 0.4618548709271166
Energy: 0.4351860557733095
Energy: 0.4867676926258125
Energy: 0.4637700891439435
Energy: 0.46805725827450556
Energy: 0.4756968491353829
Energy: 0.47380854802932115
Energy: 0.4699183348458607
Energy: 0.49829593545959455
Energy: 0.47372208318697845
Energy: 0.47110244378811644
Energy: 0.47165982512861937
Energy: 0.4722869689812642
Energy: 0.47090220408929007
Energy: 0.47916526594666575
Energy: 0.4692408287323403
Energy: 0.46964719517789233
Energy: 0.4771187531527123
Energy: 0.46479899694501003
Energy: 0.47584918624441136
Energy: 0.47883453504687057
Energy: 0.4252837818815731
Energy: 0.43573089250102176
Energy: 0.47712053900368057
Energy: 0.42522229015428337
Energy: 0.4792136135119742
Energy: 0.5355781820622886
Energy: 0.4482219078157155
Energy: 0.44796597982362507
Energy: 0.5168499027978939
Energy: 0.44863594425141234
Energy: 0.4477697935533795
Energy: 0.6401186766746895
Energy: 0.5086414632051629
Energy: 0.4825398240200866
Energy: 0.4212319722434367
Energy: 0.5320131091488994
Energy: 0.4251241366883704
Energy: 0.6370823239612209
Energy: 0.506696380871322
Energy: 0.45362410554293386
Energy: 0.4323155982579723
Energy: 0.5355666867046058
Energy: 0.4256436396676717
Energy: 0.48606984107576034
Energy: 0.44883118966712454
Energy: 0.44746248679317585
Energy: 0.49182100703788034
Energy: 0.4491622480852571
Energy: 0.44734176261488634
Energy: 0.4575475734416055
Energy: 0.4276770279237381
Energy: 0.4266958787919157
Energy: 0.45802470343120366
Energy: 0.42745835660454456
Energy: 0.45405256000064637
Energy: 0.44813973324054307
Energy: 0.44728073027296955
Energy: 0.448145837730611
Energy: 0.44818210292002236
Energy: 0.447221419715347
Energy: 0.447353352850186
Energy: 0.46104350892548196
Energy: 0.45836518857721137
Energy: 0.4546866503896131
Energy: 0.4542116096688975
Energy: 0.4598895425134041
Energy: 0.4575638952134383
Energy: 0.4801378298810605
Energy: 0.4532147014662183
Energy: 0.45309790195655353
Energy: 0.4743903850700525
Energy: 0.4562281364375062
Energy: 0.4629876450186057
Energy: 0.6180874142970668
Energy: 0.49100020090227925
Energy: 0.49258103190357344
Energy: 0.4246580798795864
Energy: 0.5050402116484023
Energy: 0.43788547326960775
Energy: 0.5881425842774123
Energy: 0.46838471947152666
Energy: 0.47164643758005387
Energy: 0.4373578744800729
Energy: 0.4961153444906949
Energy: 0.4743638376456409
Energy: 0.5789749613797096
Energy: 0.4405696524138296
Energy: 0.44160564898354315
Energy: 0.5422068319961794
Energy: 0.44013384989740023
Energy: 0.4641280106476893
Energy: 0.5183028825283789
Energy: 0.43516899567410344
Energy: 0.4351471217974909
Energy: 0.514212377551649
Energy: 0.4349861844275672
Energy: 0.447009012704684
Energy: 0.519315460019091
Energy: 0.470332092857486
Energy: 0.4710584140629036
Energy: 0.5185537546357539
Energy: 0.472127746792264
Energy: 0.46553493895592785
Energy: 0.5175522434951076
Energy: 0.4554824565719802
Energy: 0.45626207487773485
Energy: 0.4544296878927264
Energy: 0.4624630307613725
Energy: 0.4726882827921119
Energy: 0.5174035567070396
Energy: 0.4532938057949237
Energy: 0.4493510769306836
Energy: 0.4540911249000376
Energy: 0.4499421033462264
Energy: 0.4519295725135833
Energy: 0.548476739209803
Energy: 0.4477020369125686
Energy: 0.4436017534587093
Energy: 0.43883776198103336
Energy: 0.44684825162142566
Energy: 0.44371751918524316
Energy: 0.5910706049441957
Energy: 0.4511978011422871
Energy: 0.4497404744273258
Energy: 0.44063918125516793
Energy: 0.48343365374339153
Energy: 0.4408168308840884
Energy: 0.5542693443253889
Energy: 0.45685557439161395
Energy: 0.4571983096771115
Energy: 0.5549790083627777
Energy: 0.43889336984923494
Energy: 0.4887779571847512
Energy: 0.5669220139564534
Energy: 0.44310609436154336
Energy: 0.4369185364477782
Energy: 0.5612413058805981
Energy: 0.43833406789083984
Energy: 0.4769118975865611
Energy: 0.6069555312331624
Energy: 0.4502868775484359
Energy: 0.4478469912830174
Energy: 0.4668370870170118
Energy: 0.4742935626441314
Energy: 0.4477686418040799
Energy: 0.5778667651128054
Energy: 0.4696407036308161
Energy: 0.4436029398567287
Energy: 0.4402813609182175
Energy: 0.47062275346811094
Energy: 0.443478168154267
Energy: 0.47427710669304185
Energy: 0.4702391048694221
Energy: 0.4680988684820945
Energy: 0.45566568649835354
Energy: 0.46987865980545374
Energy: 0.4688296917049146
Energy: 0.5020590006963842
Energy: 0.4728856130708566
Energy: 0.4715518624817833
Energy: 0.4798279897903167
Energy: 0.4718501699275205
Energy: 0.4680669047728601
Energy: 0.48047013183502113
Energy: 0.4735558682690553
Energy: 0.47186864413428414
Energy: 0.47853570511328103
Energy: 0.47512674229556023
Energy: 0.47004478527409244
Energy: 0.4722669919018636
Energy: 0.42470462249684243
Energy: 0.4222550219162232
Energy: 0.4514591971619413
Energy: 0.4247673837195276
Energy: 0.4453425995834709
Energy: 0.531606043411493
Energy: 0.42475062112652273
Energy: 0.424859665447684
Energy: 0.512741597436385
Energy: 0.424711737540335
Energy: 0.4267594507229018
Energy: 0.4890259066932871
Energy: 0.4561200420306356
Energy: 0.4218603332431531
Energy: 0.4497953003239369
Energy: 0.4559174940646023
Energy: 0.4640483515888512

minimum gb energy = 0.4192709572129862 eV
minimum distance =  2.59845986258901 Angstroms
sigma value = 81


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

Energy: 0.7712280805384798
Energy: 0.44365512093412107
Energy: 0.5396894855963491
Energy: 0.5374365081090906
Energy: 0.6077657248973194
Energy: 0.5395190335880904
Energy: 0.4625002322965983
Energy: 0.48440065073026767
Energy: 0.4386598000946135
Energy: 0.4583243681970074
Energy: 0.5346203917971281
Energy: 0.4419987177012194
Energy: 0.464963362990472
Energy: 0.4412451493835006
Energy: 0.4400361369645245
Energy: 0.4634060035885762
Energy: 0.43918406066323173
Energy: 0.47065350186288374
Energy: 0.43752879212960283
Energy: 0.43988469207228786
Energy: 0.4565625578083694
Energy: 0.437158889122326
Energy: 0.4391682359612551
Energy: 0.4544144280689893
Energy: 0.43463069210233235
Energy: 0.44030357680727383
Energy: 0.43205183051973894
Energy: 0.43380899790307453
Energy: 0.44358620700614365
Energy: 0.43100913357894133
Energy: 0.4316655262839219
Energy: 0.4398648078510541
Energy: 0.43955237126085156
Energy: 0.43151174208560783
Energy: 0.4450355907204517
Energy: 0.4423044094324191
Energy: 0.4494489760030948
Energy: 0.43098046937721357
Energy: 0.4315569974544483
Energy: 0.43333675463853294
Energy: 0.42919150952438206
Energy: 0.43075453916535505
Energy: 0.619751819714187
Energy: 0.5098880607730815
Energy: 0.5097922633601173
Energy: 0.40710991876621694
Energy: 0.4730210918949807
Energy: 0.4163998707376473
Energy: 0.4702308448860016
Energy: 0.44070833767878503
Energy: 0.4313605805724674
Energy: 0.45864686449233744
Energy: 0.4490474116397646
Energy: 0.4309655823331882
Energy: 0.5071843618755255
Energy: 0.44789162601058874
Energy: 0.4449673357601396
Energy: 0.5070791195981653
Energy: 0.4262639744665161
Energy: 0.47915712484814
Energy: 0.49349044845170587
Energy: 0.42644419228575026
Energy: 0.4268147160202581
Energy: 0.49555527776831443
Energy: 0.42563222390717176
Energy: 0.4393399394609314
Energy: 0.4577074268832668
Energy: 0.45849081137672804
Energy: 0.44541433054684504
Energy: 0.43218601644609367
Energy: 0.4593658721389537
Energy: 0.4451915263445133
Energy: 0.5309776890185488
Energy: 0.45355591029677367
Energy: 0.45389123155938166
Energy: 0.4390529362500144
Energy: 0.4547229524857549
Energy: 0.4354466812093901
Energy: 0.43071862991996335
Energy: 0.43562357498245635
Energy: 0.43687909231586053
Energy: 0.45714913647295735
Energy: 0.43406400728482725
Energy: 0.435142334616498
Energy: 0.5746854758139003
Energy: 0.4385394593666802
Energy: 0.44914569386358827
Energy: 0.43924638758278634
Energy: 0.43830913780813957
Energy: 0.4386863804466246
Energy: 0.4357970095693839
Energy: 0.44486703779485387
Energy: 0.4428195307502108
Energy: 0.4394395534036391
Energy: 0.4195633328447196
Energy: 0.44277100661495267
Energy: 0.5075891580294882
Energy: 0.40680086991833975
Energy: 0.4162949379407922
Energy: 0.5028510914239152
Energy: 0.40672335460785236
Energy: 0.4159362459285639
Energy: 0.4524183812339796
Energy: 0.43351911157134915
Energy: 0.43288296605420273
Energy: 0.4508290727834309
Energy: 0.43488180748143873
Energy: 0.43291987211998073
Energy: 0.5859526036023524
Energy: 0.4789033732415923
Energy: 0.4788145436894985
Energy: 0.425551338551825
Energy: 0.49127801463731274
Energy: 0.4383160996208859
Energy: 0.6000954490305712
Energy: 0.47921299821464697
Energy: 0.47911883079674006
Energy: 0.4138135180476875
Energy: 0.4993808270933968
Energy: 0.4417566048285082
Energy: 0.4533140974568038
Energy: 0.4329361303064498
Energy: 0.44850005580431335
Energy: 0.46212234701749066
Energy: 0.4332894873936759
Energy: 0.4496905595792893
Energy: 0.4666578984924659
Energy: 0.4394821395971019
Energy: 0.4512099865276557
Energy: 0.45596484297091605
Energy: 0.43961179935802114
Energy: 0.4461975240000982
Energy: 0.42453016430651935
Energy: 0.46191941804528985
Energy: 0.43208285436268995
Energy: 0.42480592790170607
Energy: 0.4339528472940275
Energy: 0.43392356567861234
Energy: 0.4371162395303161
Energy: 0.46151445221308324
Energy: 0.43472158517309495
Energy: 0.4333963405561048
Energy: 0.45247688201958425
Energy: 0.43457267081620277
Energy: 0.45341623805521913
Energy: 0.4433130653889715
Energy: 0.4429306610854837
Energy: 0.453547788819257
Energy: 0.44338176037419175
Energy: 0.44152945499060087
Energy: 0.6257663358403696
Energy: 0.4618208358434916
Energy: 0.4793286772108263
Energy: 0.40760050039174306
Energy: 0.4657951121237109
Energy: 0.43883612597838545
Energy: 0.6267924308811506
Energy: 0.45508903398692707
Energy: 0.43237767679025085
Energy: 0.40699173849472753
Energy: 0.4562765995030538
Energy: 0.43828707192311167
Energy: 0.5035837054075076
Energy: 0.42651910143583627
Energy: 0.4269937891347285
Energy: 0.4515315329366618
Energy: 0.43036873595653075
Energy: 0.4398270249849566
Energy: 0.5027327075881989
Energy: 0.4469843651770892
Energy: 0.4444872775774874
Energy: 0.49483303295768744
Energy: 0.4265247552041291
Energy: 0.44472244194581806
Energy: 0.49636999887191713
Energy: 0.44458335999395737
Energy: 0.4383332934394428
Energy: 0.4946262958380439
Energy: 0.4508026746758496
Energy: 0.432076917491235
Energy: 0.5309945290334614
Energy: 0.45046844786365936
Energy: 0.4524761813359098
Energy: 0.4389928151174199
Energy: 0.5056450232511295
Energy: 0.44999761301814073
Energy: 0.4485785301465026
Energy: 0.4148797102276781
Energy: 0.4238553461378395
Energy: 0.4321413617501833
Energy: 0.4312457874519099
Energy: 0.44270874680078004
Energy: 0.5833085045932194
Energy: 0.4346784466841422
Energy: 0.4340864068476324
Energy: 0.4556874253271416
Energy: 0.43329310692050577
Energy: 0.4375321282389286
Energy: 0.5652285194108049
Energy: 0.44774611467396036
Energy: 0.44745604341616246
Energy: 0.44191473855954483
Energy: 0.44085146456019036
Energy: 0.44612816686697887
Energy: 0.5000612220043391
Energy: 0.4320392778471229
Energy: 0.44054814022017325
Energy: 0.49437088861214784
Energy: 0.40752449588218503
Energy: 0.4505330651721764
Energy: 0.5082605298340988
Energy: 0.4076812794181808
Energy: 0.40756256324198625
Energy: 0.4643587108682451
Energy: 0.40744318143330854
Energy: 0.47276279491319584
Energy: 0.46293474006293767
Energy: 0.44477127715506826
Energy: 0.43939022895936175
Energy: 0.47429532326918283
Energy: 0.4462476989739391
Energy: 0.4442242265677697
Energy: 0.5819721043700582
Energy: 0.551669717438972
Energy: 0.5382720357022387
Energy: 0.43799909591221453
Energy: 0.5547263880068984
Energy: 0.46295099399842615

minimum gb energy = 0.40672335460785236 eV
minimum distance =  2.6129829276655 Angstroms
sigma value = 43


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

Energy: 0.6764734713389838
Energy: 0.48204443345293685
Energy: 0.47829194848347273
Energy: 0.4575036862780403
Energy: 0.4862326378348213
Energy: 0.438539384046007
Energy: 0.44755859935535064
Energy: 0.44723062912234346
Energy: 0.45708753134773017
Energy: 0.4580483535103364
Energy: 0.4472712775448593
Energy: 0.4359275965111498
Energy: 0.41542606678687316
Energy: 0.4053353854672722
Energy: 0.40537195561349526
Energy: 0.41563399374422966
Energy: 0.40503188105194754
Energy: 0.4268669914816391
Energy: 0.41544278860404255
Energy: 0.40533714342047167
Energy: 0.41549359301563593
Energy: 0.4162552198569974
Energy: 0.40512774071033747
Energy: 0.4151296791330149
Energy: 0.42469130836958563
Energy: 0.4500998572954763
Energy: 0.4612363164429221
Energy: 0.43197928708987016
Energy: 0.4607692911294627
Energy: 0.460816486682422
Energy: 0.4763600526062881
Energy: 0.45751618884091316
Energy: 0.4613304301724126
Energy: 0.46693403662635236
Energy: 0.45460780080270047
Energy: 0.4612743900082943
Energy: 0.4387680037861213
Energy: 0.4153388512795067
Energy: 0.41524625068300974
Energy: 0.4442868674498011
Energy: 0.41570146911155825
Energy: 0.41590913980443056
Energy: 0.5786320930329175
Energy: 0.4160272974648516
Energy: 0.41583037026181835
Energy: 0.40849706961449195
Energy: 0.4160308983652242
Energy: 0.4305000968585139
Energy: 0.4964705599769605
Energy: 0.4215299012364156
Energy: 0.41528321909643107
Energy: 0.44688799156557757
Energy: 0.4350332566661695
Energy: 0.4152350534743087
Energy: 0.5672378214472406
Energy: 0.415184822548977
Energy: 0.44879631057229413
Energy: 0.4975604092712627
Energy: 0.42685627416751354
Energy: 0.49068402727582755
Energy: 0.48462551477134086
Energy: 0.43083300716040884
Energy: 0.43082413098790934
Energy: 0.49756181643057196
Energy: 0.4508054322503911
Energy: 0.45695322081775896
Energy: 0.4870704428474255
Energy: 0.42729002879628275
Energy: 0.42701568790571626
Energy: 0.4127030862937401
Energy: 0.44287350837974243
Energy: 0.41556784657748624
Energy: 0.6069087659377207
Energy: 0.4268394656803107
Energy: 0.42517633973909347
Energy: 0.4049324766541291
Energy: 0.42692986270705646
Energy: 0.4252822074080471
Energy: 0.4164865541803158
Energy: 0.4613004372674825
Energy: 0.46141520992345225
Energy: 0.43878207106381023
Energy: 0.4515402921869818
Energy: 0.4490989295971869
Energy: 0.41578580099737006
Energy: 0.4342414729159881
Energy: 0.44855023126736054
Energy: 0.43081756381699376
Energy: 0.4427369926492446
Energy: 0.4316346556227726
Energy: 0.40835031752122986
Energy: 0.41650303882772405
Energy: 0.4182032810862001
Energy: 0.4083720821911224
Energy: 0.46314284444429493
Energy: 0.41693261070553644
Energy: 0.4084840984561917
Energy: 0.4096221319504494
Energy: 0.41227579971964157
Energy: 0.4094314526877788
Energy: 0.4312039954845487
Energy: 0.40943671556326366
Energy: 0.4646632446849361
Energy: 0.4097627827600689
Energy: 0.41326139961826625
Energy: 0.4514096406547977
Energy: 0.4564699039067531
Energy: 0.41327063298858674
Energy: 0.506290588931365
Energy: 0.4381902559824447
Energy: 0.4421024985217867
Energy: 0.41477910953383396
Energy: 0.4378063493881032
Energy: 0.41516197829002166
Energy: 0.6404588109880066
Energy: 0.4385951518137004
Energy: 0.4416160803267391
Energy: 0.41485455566459933
Energy: 0.462149745538263
Energy: 0.41523629214173674
Energy: 0.4653856938230764
Energy: 0.4481856838826694
Energy: 0.41281521149444395
Energy: 0.435713582515045
Energy: 0.4482950918926302
Energy: 0.42788795869484514
Energy: 0.5106566223067469
Energy: 0.42587299910316706
Energy: 0.4480992515173856
Energy: 0.4905737412362017
Energy: 0.4058209306571932
Energy: 0.4480796611242578
Energy: 0.45670803937492943
Energy: 0.4374257575081544
Energy: 0.428058237264732
Energy: 0.42278076107401097
Energy: 0.43305713158057935
Energy: 0.4601939162956215
Energy: 0.4501791625903885
Energy: 0.43566294336161426
Energy: 0.4381493731900349
Energy: 0.42133648702819054
Energy: 0.4094019178907091
Energy: 0.411905657123552
Energy: 0.45770905314030763
Energy: 0.40906310937178525
Energy: 0.4093098221782687
Energy: 0.46005381044403454
Energy: 0.4072687394095069
Energy: 0.40966321205863837
Energy: 0.44860980007622153
Energy: 0.41604522135803684
Energy: 0.4163606074965213
Energy: 0.4492441891746418
Energy: 0.43180045603124817
Energy: 0.43157981052003586
Energy: 0.43801792088954994
Energy: 0.46229483069947824
Energy: 0.4626992436099325
Energy: 0.46154242625530706
Energy: 0.4618216978953917
Energy: 0.46365970052220573
Energy: 0.4380748869361391
Energy: 0.45672861124721803
Energy: 0.4358613810821145
Energy: 0.42768052131612094
Energy: 0.43608699195154565
Energy: 0.415471151245677
Energy: 0.45171143913243056
Energy: 0.41524161060432213
Energy: 0.41543652686940263
Energy: 0.4363859165672309
Energy: 0.40634506399902987
Energy: 0.4406821303233019
Energy: 0.4567037858663645
Energy: 0.4613119823562989
Energy: 0.4354175499100527
Energy: 0.4463860281714098
Energy: 0.44649068382593327
Energy: 0.4356908108925279
Energy: 0.6780391773721883
Energy: 0.4775627661405969
Energy: 0.4701504953335358
Energy: 0.42553768812075865
Energy: 0.4801433345604361
Energy: 0.4717263489236626

minimum gb energy = 0.4049324766541291 eV
minimum distance =  2.59677538628814 Angstroms
sigma value = 57


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

Energy: 0.5242605566769053
Energy: 0.5984035663970858
Energy: 0.4504961979683398
Energy: 0.4017232352304691
Energy: 0.597726170351707
Energy: 0.4484832392394487
Energy: 0.540123285534476
Energy: 0.41208432786813715
Energy: 0.411907648777
Energy: 0.41200863347329325
Energy: 0.412726160519002
Energy: 0.4086985621932117
Energy: 0.40758465259184085
Energy: 0.3812966241205802
Energy: 0.38097338315338747
Energy: 0.4259935895597425
Energy: 0.38135408214551586
Energy: 0.3805172673408576
Energy: 0.4087119176526215
Energy: 0.3810115099102112
Energy: 0.3809500052912266
Energy: 0.40929479553016923
Energy: 0.38046903476356225
Energy: 0.40692667861903314
Energy: 0.40809922966835405
Energy: 0.39727635299302444
Energy: 0.39849844113742455
Energy: 0.43165840464021205
Energy: 0.39596384190226236
Energy: 0.3959839762139924
Energy: 0.38068986726270815
Energy: 0.3957594022776373
Energy: 0.39549617311484925
Energy: 0.395466855047479
Energy: 0.395329360146365
Energy: 0.39542274509580705
Energy: 0.4074187866291442
Energy: 0.40807399061333105
Energy: 0.40682053718497924
Energy: 0.4115330596642756
Energy: 0.4084356816376751
Energy: 0.40703648964012
Energy: 0.41002364788255186
Energy: 0.4093440345098375
Energy: 0.42660249362886454
Energy: 0.39477092603187824
Energy: 0.4079461488127443
Energy: 0.4083358587419539
Energy: 0.41175632542384416
Energy: 0.41212314420399704
Energy: 0.4083044486382827
Energy: 0.4123454271144455
Energy: 0.4125004546861905
Energy: 0.40897971106312
Energy: 0.507339177309395
Energy: 0.4082643631992765
Energy: 0.4075692992120198
Energy: 0.4583551335943823
Energy: 0.4090553484992055
Energy: 0.4248205448738017
Energy: 0.44600433377279675
Energy: 0.4075979113389785
Energy: 0.4523652590396104
Energy: 0.41200916594840015
Energy: 0.3950867337731892
Energy: 0.4084333407571662
Energy: 0.3799136151280262
Energy: 0.41159024376728076
Energy: 0.408037834248468
Energy: 0.38130030070166665
Energy: 0.41153514240557054
Energy: 0.4334555243937077
Energy: 0.38086436800952006
Energy: 0.4089099295427779
Energy: 0.434028980133804
Energy: 0.43384880268513704
Energy: 0.458424180027692
Energy: 0.43394175157682624
Energy: 0.4532782939872619
Energy: 0.4126239465654032
Energy: 0.3952431073401958
Energy: 0.4127148156101682
Energy: 0.4122432328359146
Energy: 0.40862660058139116
Energy: 0.40719260161686066
Energy: 0.3815433839786895
Energy: 0.3822149074384573
Energy: 0.4072731327995672
Energy: 0.3811438420140914
Energy: 0.4015654404868526
Energy: 0.40774870396353424
Energy: 0.39549197129494623
Energy: 0.39614982013966477
Energy: 0.40848718302675413
Energy: 0.4304164091262814
Energy: 0.39545892924563186
Energy: 0.40789456365118126
Energy: 0.3957835335917895
Energy: 0.39518041263461295
Energy: 0.39493752332004306
Energy: 0.4305990387997001
Energy: 0.39509782218979805
Energy: 0.40733107759325093
Energy: 0.43053908996563983
Energy: 0.39720784071211035
Energy: 0.39511064998506124
Energy: 0.4084775943689256
Energy: 0.3970231967218922
Energy: 0.41379526913977255
Energy: 0.40730501481916387
Energy: 0.4074784830192198
Energy: 0.39592239364924087
Energy: 0.40717670144499885
Energy: 0.4077778347527738
Energy: 0.41382500666664324
Energy: 0.407932399575694
Energy: 0.4076787510152995
Energy: 0.4089728074759885
Energy: 0.40858660358777
Energy: 0.40807455136738063
Energy: 0.412017473414274
Energy: 0.41236706062361506
Energy: 0.412233999683509
Energy: 0.41228937534203214
Energy: 0.4126552011263518
Energy: 0.39501235822294756
Energy: 0.5122830149287861
Energy: 0.4081661482943457
Energy: 0.40835012026680145
Energy: 0.4552740774781731
Energy: 0.40855004160475467
Energy: 0.4260419700526432
Energy: 0.4567826447885197
Energy: 0.4122912424338999
Energy: 0.4121821376641678
Energy: 0.41262293401885225
Energy: 0.412513001846194
Energy: 0.45201250258497094
Energy: 0.3802879165427038
Energy: 0.4083792150639567
Energy: 0.434050679148212
Energy: 0.433895908698766
Energy: 0.42640456335177307
Energy: 0.43404164392761263

minimum gb energy = 0.3799136151280262 eV
minimum distance =  2.65730766197096 Angstroms
sigma value = 17


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

Energy: 0.5990795568820075
Energy: 0.5525125812189283
Energy: 0.4801463849398677
Energy: 0.40122281635839097
Energy: 0.5578780292941217
Energy: 0.4015645977664314
Energy: 0.5239694799878738
Energy: 0.42060487604931096
Energy: 0.41925810915412015
Energy: 0.48977168623996997
Energy: 0.4201498093840646
Energy: 0.3931003091424894
Energy: 0.49719319850859023
Energy: 0.3767770097379018
Energy: 0.37672722665045527
Energy: 0.46476312373745593
Energy: 0.37690540922231863
Energy: 0.37656455259247895
Energy: 0.4206502589595997
Energy: 0.3765729543364587
Energy: 0.37639194893098654
Energy: 0.4206927549337948
Energy: 0.4444108937756094
Energy: 0.41916184981720783
Energy: 0.3668734711137742
Energy: 0.4073715752895476
Energy: 0.4089757735731881
Energy: 0.3674314749287736
Energy: 0.4070687741878866
Energy: 0.4070885644670438
Energy: 0.3766748578002602
Energy: 0.36201203751805966
Energy: 0.36220193824389535
Energy: 0.34635509698772027
Energy: 0.36158724303198647
Energy: 0.3470830516054134
Energy: 0.40936369038481557
Energy: 0.3615123298913742
Energy: 0.36154375483511925
Energy: 0.40906707233440814
Energy: 0.36332298862978707
Energy: 0.3974715815247584
Energy: 0.36156370909614743
Energy: 0.3634193730223757
Energy: 0.36302753082278943
Energy: 0.39581919248591974
Energy: 0.3628254478163077
Energy: 0.37681179339853826
Energy: 0.3623208349904217
Energy: 0.43708236257799826
Energy: 0.39691705304592606
Energy: 0.36316356113175036
Energy: 0.36834587432638716
Energy: 0.3615896338169788
Energy: 0.3615947527752359
Energy: 0.36228307171109264
Energy: 0.36216702783165994
Energy: 0.3614905250881193
Energy: 0.36277209676604816
Energy: 0.36209854529228724
Energy: 0.42442270450055136
Energy: 0.4096981816500452
Energy: 0.40979646696427485
Energy: 0.4373218916455507
Energy: 0.3925366558936295
Energy: 0.362699007370619
Energy: 0.4815067578080365
Energy: 0.4190430544300627
Energy: 0.4189166782451956
Energy: 0.36253214101173725
Energy: 0.4195045855033992
Energy: 0.41895158854266823
Energy: 0.43200296591877047
Energy: 0.4194939800469939
Energy: 0.41952752976690844
Energy: 0.40595520858547235
Energy: 0.4576977952733188
Energy: 0.4196440832165037
Energy: 0.42244294264157495
Energy: 0.41945120881616027
Energy: 0.4197811378605312
Energy: 0.4007844817845905
Energy: 0.45156313814288285
Energy: 0.39240500572582904
Energy: 0.554500851681749
Energy: 0.42005535996667165
Energy: 0.44096514373173834
Energy: 0.5539708067071171
Energy: 0.42033664376648666
Energy: 0.44081283625008816
Energy: 0.4199832165190901
Energy: 0.45126594312135865
Energy: 0.41930941270602345
Energy: 0.45064589857017107
Energy: 0.4906843371826038
Energy: 0.4192764556394154
Energy: 0.47490431551927775
Energy: 0.4257073710272393
Energy: 0.4617634149949504
Energy: 0.37667979757234304
Energy: 0.42579160789668263
Energy: 0.4616569627720877

minimum gb energy = 0.34635509698772027 eV
minimum distance =  2.61888340385563 Angstroms
sigma value = 17


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

Energy: 0.6280731966159919
Energy: 0.5673092550806552
Energy: 0.4065963600113386
Energy: 0.40426047373575985
Energy: 0.56890314457931
Energy: 0.40383533827088797
Energy: 0.5002217950637671
Energy: 0.4088451119600631
Energy: 0.4101330600507034
Energy: 0.47491708301622704
Energy: 0.44917438580901536
Energy: 0.39673375213628614
Energy: 0.49302113599681013
Energy: 0.3388541040592165
Energy: 0.3832504155575877
Energy: 0.46540914124024924
Energy: 0.3393152355474904
Energy: 0.3833651286574888
Energy: 0.3692750206281998
Energy: 0.3832833318628189
Energy: 0.3831818240074969
Energy: 0.38490891519751397
Energy: 0.4442705501382002
Energy: 0.3832510670813429
Energy: 0.41813001288062945
Energy: 0.40685735380012916
Energy: 0.4086287890331067
Energy: 0.4188373279157509
Energy: 0.3622392165261246
Energy: 0.3638319230399912
Energy: 0.3833474190069698
Energy: 0.36170694726927677
Energy: 0.3399278186391848
Energy: 0.3394773601583861
Energy: 0.36190694156483955
Energy: 0.33904560760145797
Energy: 0.4406527194091794
Energy: 0.3649527102846923
Energy: 0.3617444637122236
Energy: 0.4340804364108581
Energy: 0.3625373106928057
Energy: 0.3536323539116704
Energy: 0.33345550647420147
Energy: 0.3259962918484354
Energy: 0.33373269743189593
Energy: 0.3784504896233024
Energy: 0.3259947259356624
Energy: 0.3336052341141574
Energy: 0.3344426925433309
Energy: 0.3332242431979827
Energy: 0.3326876480908956
Energy: 0.33387674545487483
Energy: 0.4291363697145671
Energy: 0.3329049331904186
Energy: 0.3330894947032367
Energy: 0.36818862414572145
Energy: 0.3687504582257242
Energy: 0.33310843940844137
Energy: 0.3674006259606363
Energy: 0.36824394343450717
Energy: 0.3737634391845182
Energy: 0.33247172775177136
Energy: 0.3675733059307761
Energy: 0.36791304438381156
Energy: 0.3330151977221447
Energy: 0.3688040379349123
Energy: 0.4192125249777816
Energy: 0.3330914252136072
Energy: 0.33297790868712207
Energy: 0.42009057490456325
Energy: 0.3355974028753889
Energy: 0.33254261408509167
Energy: 0.36127458156110726
Energy: 0.37557900127525135
Energy: 0.3337153169278134
Energy: 0.33382841282489895
Energy: 0.3760458402409764
Energy: 0.3331297677686041
Energy: 0.36183293095165137
Energy: 0.3699522433698374
Energy: 0.37603589350022454
Energy: 0.36276651366948387
Energy: 0.3869144709078037
Energy: 0.36156904168965487
Energy: 0.3616189600481339
Energy: 0.33294241096235333
Energy: 0.3517048254217657
Energy: 0.36162557548510904
Energy: 0.33386638692264853
Energy: 0.3615532259614221
Energy: 0.46868088712670447
Energy: 0.3990300802220132
Energy: 0.3615875324458241
Energy: 0.4342354814999228
Energy: 0.41896319158770745
Energy: 0.36321180657568447
Energy: 0.43387510254731015
Energy: 0.4234701706122307
Energy: 0.42346488282649974
Energy: 0.43480333096789997
Energy: 0.42327128333816644
Energy: 0.36106703201213075
Energy: 0.4202528811368929
Energy: 0.4234458055983376
Energy: 0.42354671756483664
Energy: 0.41939013186676827
Energy: 0.4232954070517144
Energy: 0.3615901703611054
Energy: 0.4177484261830053
Energy: 0.4193400779610181
Energy: 0.3974084805417435
Energy: 0.460424345755422
Energy: 0.46277416295951507
Energy: 0.36708844329798856
Energy: 0.5470283997444749
Energy: 0.3624996134036027
Energy: 0.382245828073701
Energy: 0.5474703449506461
Energy: 0.36190413466189286
Energy: 0.42312804304481105
Energy: 0.4928261744799241
Energy: 0.4192768566657802
Energy: 0.41927820423589185
Energy: 0.4519944510064131
Energy: 0.44912555189442355
Energy: 0.4203910698647736
Energy: 0.4430744375508317
Energy: 0.42816736886750884
Energy: 0.4617223955155264
Energy: 0.38333475898414326
Energy: 0.42285880611295656
Energy: 0.38327113642462035
Energy: 0.44275373935753676
Energy: 0.4279177771592473
Energy: 0.4249315025571601
Energy: 0.4437697897004271
Energy: 0.4260735328941316
Energy: 0.4614090838240252
Energy: 0.4960762949069372
Energy: 0.3761614135535951
Energy: 0.3852154033949926
Energy: 0.45118080024818014
Energy: 0.4455659313714642
Energy: 0.4232626515892087
Energy: 0.4232606513182934
Energy: 0.33894659856273174
Energy: 0.3835795190460693
Energy: 0.4233453942087897
Energy: 0.3392368776708508
Energy: 0.383524939709712
Energy: 0.37045203749334044
Energy: 0.40932260485211486
Energy: 0.36334343739862024
Energy: 0.41965514037162943
Energy: 0.4085775215267436
Energy: 0.3957538613366823
Energy: 0.3831890453866879
Energy: 0.36203706807298636
Energy: 0.36257607120327917
Energy: 0.33943447245436464
Energy: 0.3618817052632875
Energy: 0.3389817989088442
Energy: 0.42628994650336866
Energy: 0.3619439615415622
Energy: 0.3619121777305825
Energy: 0.4268336501255071
Energy: 0.3628150311028845
Energy: 0.3619125603067059
Energy: 0.3321258183836114
Energy: 0.3736991128696352
Energy: 0.37320144919696885
Energy: 0.3736902770320358
Energy: 0.36148647593771654
Energy: 0.3733617815215711
Energy: 0.3330420238056219
Energy: 0.32580714340074984
Energy: 0.3334731075524308
Energy: 0.3330974845438661
Energy: 0.3256372043923596
Energy: 0.3329254316755763
Energy: 0.3352612006522261
Energy: 0.3689490548804835
Energy: 0.36878476536381
Energy: 0.3359835203845903
Energy: 0.36910763992357415
Energy: 0.33391438995686673
Energy: 0.3336193146772247
Energy: 0.3664645455715444
Energy: 0.3668756557709224
Energy: 0.3784752522894958
Energy: 0.3673916266962878
Energy: 0.4079297790473861
Energy: 0.4202256415562915
Energy: 0.33559569816798857
Energy: 0.33286105927488124
Energy: 0.4210598577378051
Energy: 0.33411318886279867
Energy: 0.33292327294506757
Energy: 0.3611567500635513
Energy: 0.33372007416209704
Energy: 0.33368173544865826
Energy: 0.33353795576754813
Energy: 0.3324962131117643
Energy: 0.33357853709630014
Energy: 0.36433303271842543
Energy: 0.41437585420508893
Energy: 0.41447805860550996
Energy: 0.36489601207597694
Energy: 0.41527156560973727
Energy: 0.41306692468123996
Energy: 0.3673166569499673
Energy: 0.33339814438607435
Energy: 0.36150476233189766
Energy: 0.36186492250494195
Energy: 0.3338676749195456
Energy: 0.36168442134103745
Energy: 0.4493537878969407
Energy: 0.361792965182866
Energy: 0.3617184036636619
Energy: 0.421324668183148
Energy: 0.42583928869939836
Energy: 0.36161872546613216
Energy: 0.4356343249774745
Energy: 0.42592789641050943
Energy: 0.42315227026800406
Energy: 0.4661128301371006
Energy: 0.42485222889291174
Energy: 0.3981533059011417
Energy: 0.41838106542589587
Energy: 0.4552357208103821
Energy: 0.36306935476806684
Energy: 0.3613560387287484
Energy: 0.49954032767759404
Energy: 0.3621377003527415
Energy: 0.4628009448198893
Energy: 0.42352074480120017
Energy: 0.4193542387161544
Energy: 0.44742915161282276
Energy: 0.4254414306532453
Energy: 0.3954956821740208
Energy: 0.4651517762505609
Energy: 0.36156207120820305
Energy: 0.4229600175923141
Energy: 0.4661377954869024
Energy: 0.3617108316906099
Energy: 0.4232391028384825
Energy: 0.4945230779816285
Energy: 0.39630631293550245
Energy: 0.4230317633327862
Energy: 0.45062692976393554
Energy: 0.465108320634007
Energy: 0.4232787493766979
Energy: 0.4432948797779446
Energy: 0.42428679707886424
Energy: 0.4243924458574478
Energy: 0.4441754680734732
Energy: 0.42599689741133295
Energy: 0.4614383752763792

minimum gb energy = 0.3256372043923596 eV
minimum distance =  2.5975052675829 Angstroms
sigma value = 57


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

Energy: 0.4180135843856694
Energy: 0.545584495325861
Energy: 0.4022266724232596
Energy: 0.3560447608942769
Energy: 0.5470863953390767
Energy: 0.4037915454162739
Energy: 0.4796341683765801
Energy: 0.3818646168342419
Energy: 0.4040997915449211
Energy: 0.44355436522700764
Energy: 0.38567730636710507
Energy: 0.3929380857048633
Energy: 0.47728917803517334
Energy: 0.33848212634302005
Energy: 0.33864035012640764
Energy: 0.45432524094346066
Energy: 0.33869125342599654
Energy: 0.38254280923295086
Energy: 0.4046479225966618
Energy: 0.33872859933095256
Energy: 0.382375975382185
Energy: 0.36382622215039684
Energy: 0.38162692412869087
Energy: 0.38243735557515457
Energy: 0.36128983033470125
Energy: 0.36448807902390534
Energy: 0.3616825109209197
Energy: 0.3946557523949111
Energy: 0.37842258224024833
Energy: 0.3613863442934085
Energy: 0.3389493154485147
Energy: 0.361088249828978
Energy: 0.33937692596634017
Energy: 0.316428666499982
Energy: 0.36137182541535845
Energy: 0.33908809728816924
Energy: 0.4082403658543575
Energy: 0.36437059810015765
Energy: 0.3662285978585214
Energy: 0.4093582814967586
Energy: 0.3636861040755191
Energy: 0.3684125423605153
Energy: 0.41416785199037254
Energy: 0.3163163327252544
Energy: 0.31652756981280467
Energy: 0.3450965581318383
Energy: 0.31637072231563224
Energy: 0.3287289775318915
Energy: 0.33004520325053877
Energy: 0.368924282293303
Energy: 0.3280913336277553
Energy: 0.3310634631843434
Energy: 0.37180385621069645
Energy: 0.3282777597368966
Energy: 0.3282808963257655
Energy: 0.3852493307778178
Energy: 0.38427243675548667
Energy: 0.3281884547290334
Energy: 0.38732847509311386
Energy: 0.36599263137810767
Energy: 0.36102224736658467
Energy: 0.31342671292964275
Energy: 0.3139354949627758
Energy: 0.3148948164886721
Energy: 0.31392359292580074
Energy: 0.31422074615592427
Energy: 0.3923895523635805
Energy: 0.31778838192011766
Energy: 0.31353954337569856
Energy: 0.3932533487160707
Energy: 0.3183007571114438
Energy: 0.31496542619342216
Energy: 0.312892954144969
Energy: 0.3827266053612963
Energy: 0.3801877044683511
Energy: 0.37629095181493927
Energy: 0.38310010478205103
Energy: 0.32657308000974555
Energy: 0.3138101950132641
Energy: 0.3507083592739998
Energy: 0.31338396659251383
Energy: 0.3146728895969317
Energy: 0.3887497608850011
Energy: 0.3136446741327271
Energy: 0.31355938681826473
Energy: 0.31508681255041293
Energy: 0.31466899370871926
Energy: 0.31340156573677785
Energy: 0.3157734426409368
Energy: 0.3146757958426984
Energy: 0.4202188321480124
Energy: 0.32825141365832045
Energy: 0.3613171891831049
Energy: 0.3884359882451014
Energy: 0.3336752812444888
Energy: 0.38441317995084034
Energy: 0.3732126997962219
Energy: 0.3344127215976632
Energy: 0.3282511283472301
Energy: 0.3978217568292544
Energy: 0.33238645471660405
Energy: 0.3283601469542329
Energy: 0.3928004846613637
Energy: 0.3285878548150905
Energy: 0.3282124298289572
Energy: 0.3753511411745904
Energy: 0.34892564765463924
Energy: 0.3280187552024257
Energy: 0.3610308518374009
Energy: 0.3706451403481825
Energy: 0.3620159356371985
Energy: 0.3620000894429698
Energy: 0.41466959694351774
Energy: 0.3610438444208087
Energy: 0.3606807423914758
Energy: 0.3279940632461558
Energy: 0.3288464485580752
Energy: 0.36079241176628546
Energy: 0.32868556356389605
Energy: 0.36073292922998407
Energy: 0.45634123651366276
Energy: 0.3647625042941529
Energy: 0.36778481079666
Energy: 0.4264179955088799
Energy: 0.37485318486313657
Energy: 0.36291397052331426
Energy: 0.39558106535241233
Energy: 0.41761526176887986
Energy: 0.3610152754446655
Energy: 0.3280229549951298
Energy: 0.42277307033847283
Energy: 0.3609798057027192
Energy: 0.40958918145936735
Energy: 0.4213957720963651
Energy: 0.4173258144917638
Energy: 0.41032114991497187
Energy: 0.4206037646001352
Energy: 0.4173725960597713
Energy: 0.46149965186261194
Energy: 0.368443394251008
Energy: 0.38171753709089506
Energy: 0.41385244735193005
Energy: 0.44541592876513486
Energy: 0.36718940899380303
Energy: 0.4801003220174851
Energy: 0.36093327446654766
Energy: 0.36099545610191747
Energy: 0.4807761484044772
Energy: 0.3610569413510555
Energy: 0.417403079243063
Energy: 0.47202785154178456
Energy: 0.4184689258672727
Energy: 0.41309236049222525
Energy: 0.4393644266232702
Energy: 0.44095567924884593
Energy: 0.3920034492172978
Energy: 0.3957932181500445
Energy: 0.4173803904620423
Energy: 0.382484886237864
Energy: 0.33886069228009486
Energy: 0.4492829781360983
Energy: 0.3827217894576413

minimum gb energy = 0.312892954144969 eV
minimum distance =  2.62682512719306 Angstroms
sigma value = 43


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

Energy: 0.37700361214639455
Energy: 0.4492894671903863
Energy: 0.3785965223052857
Energy: 0.31869890694510916
Energy: 0.4504753423383896
Energy: 0.34113641639927206
Energy: 0.4206533134926361
Energy: 0.35020725173246864
Energy: 0.3397891981461673
Energy: 0.39425979008332734
Energy: 0.3571220191708658
Energy: 0.3395898343661792
Energy: 0.42915242051145847
Energy: 0.29721365311164244
Energy: 0.3201772637971635
Energy: 0.3826917335450033
Energy: 0.29785257169588786
Energy: 0.32015491808517554
Energy: 0.3708955697816151
Energy: 0.32025040185912385
Energy: 0.3201857926730369
Energy: 0.3403004756461129
Energy: 0.3397023492321486
Energy: 0.3559617619718537
Energy: 0.3522282838013531
Energy: 0.33828993863063106
Energy: 0.3380659815043271
Energy: 0.352299456923201
Energy: 0.3527454566934227
Energy: 0.33827315910545835
Energy: 0.2983947022086961
Energy: 0.3381347929749986
Energy: 0.32041594276720886
Energy: 0.2853066871125473
Energy: 0.3380296089327243
Energy: 0.2972189616646823
Energy: 0.40039486890407827
Energy: 0.33697356847565546
Energy: 0.3371100424119254
Energy: 0.3697074365651902
Energy: 0.357936190897616
Energy: 0.3109030912431339
Energy: 0.37899498016641897
Energy: 0.2827687347911348
Energy: 0.29725176143837473
Energy: 0.3103257473834347
Energy: 0.28273385787837474
Energy: 0.2971394986672071
Energy: 0.3104849920478694
Energy: 0.2970709791479778
Energy: 0.3086915260124804
Energy: 0.3111608214098439
Energy: 0.33758636395278663
Energy: 0.30871345790678
Energy: 0.3229423846037437
Energy: 0.3234280099683215
Energy: 0.29324169708367365
Energy: 0.32738520930605614
Energy: 0.31819333399453414
Energy: 0.293235982372492
Energy: 0.31446710468614414
Energy: 0.2901668374883624
Energy: 0.29083963116129075
Energy: 0.27661482239736784
Energy: 0.29025204568793167
Energy: 0.2829690441847433
Energy: 0.3595518037102013
Energy: 0.29029356773385184
Energy: 0.29020946738042097
Energy: 0.3598776521444962
Energy: 0.2904398550393698
Energy: 0.2802542980916147
Energy: 0.3589510621166043
Energy: 0.2752569236086065
Energy: 0.27987322307199247
Energy: 0.30764906142792725
Energy: 0.27607110867267043
Energy: 0.2793408149815196
Energy: 0.2796431901440672
Energy: 0.32873029731122305
Energy: 0.2790577052226649
Energy: 0.2806678631581962
Energy: 0.32882402498785335
Energy: 0.2791420066780985
Energy: 0.2789095964129397
Energy: 0.3054442772127812
Energy: 0.3260321763524691
Energy: 0.27884991884055677
Energy: 0.29904183161222847
Energy: 0.3263623115187951
Energy: 0.3291758730674302
Energy: 0.27384504759362166
Energy: 0.2738828665997445
Energy: 0.2747364225728036
Energy: 0.2740781650193376
Energy: 0.33113571157846555
Energy: 0.3344545487620346
Energy: 0.2739093731373199
Energy: 0.2737360380616864
Energy: 0.3354489371455499
Energy: 0.2739981757572609
Energy: 0.32984604024944364
Energy: 0.2735724433748913
Energy: 0.32478939805572
Energy: 0.3254254179929281
Energy: 0.27402126717745146
Energy: 0.3172869942420767
Energy: 0.32565236960216004
Energy: 0.2738440896797138
Energy: 0.32640741406136403
Energy: 0.2737760162271267
Energy: 0.27509591757391605
Energy: 0.32967532041252695
Energy: 0.27393751843925374
Energy: 0.2741581186890931
Energy: 0.3023837044174454
Energy: 0.32695098016976915
Energy: 0.2739998505620447
Energy: 0.275847097469256
Energy: 0.3272905384687226
Energy: 0.34510468192249694
Energy: 0.2792041556842003
Energy: 0.2789308120433255
Energy: 0.3402085554425822
Energy: 0.27931366812312797
Energy: 0.33378099254443305
Energy: 0.3301742654030838
Energy: 0.2791019467005813
Energy: 0.2789575627715833
Energy: 0.2799681156761593
Energy: 0.27925603091518025
Energy: 0.2801077439801438
Energy: 0.2900692041561143
Energy: 0.28058207876194924
Energy: 0.2822787265846775
Energy: 0.29006643298716583
Energy: 0.30772721298553646
Energy: 0.2921037836958359
Energy: 0.29066769100350803
Energy: 0.3345379172929111
Energy: 0.2901517985014134
Energy: 0.2917072769431556
Energy: 0.33385672530350835
Energy: 0.2903049184288684
Energy: 0.36723733645891576
Energy: 0.2798119260043625
Energy: 0.2906363624981062
Energy: 0.2915934883758653
Energy: 0.279959566832076
Energy: 0.290340148061976
Energy: 0.3795619770369374
Energy: 0.3089396650564288
Energy: 0.3088192966673486
Energy: 0.34525895217082514
Energy: 0.30906899097980217
Energy: 0.2919041858853013
Energy: 0.32187462067518996
Energy: 0.30865398704908015
Energy: 0.30872435460367403
Energy: 0.27978830753528333
Energy: 0.3088350102420374
Energy: 0.29045512827920733
Energy: 0.3448792841124839
Energy: 0.30910705114171305
Energy: 0.30892341737147505
Energy: 0.34493314818048093
Energy: 0.3346482705614431
Energy: 0.30920043312621787
Energy: 0.3402983391269839
Energy: 0.308991374755985
Energy: 0.3381081964628339
Energy: 0.34095661049322884
Energy: 0.3449013586293655
Energy: 0.33813502273089563
Energy: 0.3986435823489253
Energy: 0.2903310833506363
Energy: 0.3089003760617649
Energy: 0.3382150152895051
Energy: 0.29035707143981887
Energy: 0.3089896729296767
Energy: 0.41213448540476444
Energy: 0.3383964452964625
Energy: 0.34019225071580583
Energy: 0.35386021202126583
Energy: 0.35682593875528634
Energy: 0.336990780823023
Energy: 0.3096437056923124
Energy: 0.38276734069811624
Energy: 0.33809897211665485
Energy: 0.2905985688161909
Energy: 0.38281098956614046
Energy: 0.308895771696927
Energy: 0.3643421156604362
Energy: 0.38298006826542136
Energy: 0.3792584646629742
Energy: 0.364505346660544
Energy: 0.3845543953630409
Energy: 0.38304452047262894
Energy: 0.3961297519086439
Energy: 0.3368706843802171
Energy: 0.3367706083958751
Energy: 0.3946827403338988
Energy: 0.3570056267764758
Energy: 0.3822214089246163
Energy: 0.4287874520984925
Energy: 0.3090269373736234
Energy: 0.33670795015910143
Energy: 0.41186644753372736
Energy: 0.30916267333403685
Energy: 0.3368667044315303
Energy: 0.4082410846436428
Energy: 0.37869107194545837
Energy: 0.37801481771698925
Energy: 0.39382357240090704
Energy: 0.4025446413627222
Energy: 0.33980905767733915

minimum gb energy = 0.2735724433748913 eV
minimum distance =  2.59252029529176 Angstroms
sigma value = 81


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

Energy: 0.07255210576425757
Energy: 0.07382040553375395
Energy: 0.07290312348518785
Energy: 0.07419602747555383
Energy: 0.07535147657716597
Energy: 0.07304888894281558
Energy: 0.09613659826144992
Energy: 0.07391135921072578
Energy: 0.07369175843521909
Energy: 0.09658984872275504
Energy: 0.07498285323783475
Energy: 0.07391182131743829
Energy: 0.09528690187093283
Energy: 0.07301665817786625
Energy: 0.07318941251044497
Energy: 0.0952091104617528
Energy: 0.07293955344373297
Energy: 0.09505662020454671
Energy: 0.07475358366115013
Energy: 0.07316630429083923
Energy: 0.07323865221024854
Energy: 0.07493640019556788
Energy: 0.07293656067212918
Energy: 0.09526585009938687
Energy: 0.0949411919136046
Energy: 0.09501496634446824
Energy: 0.09509978467980883
Energy: 0.09556791909639051
Energy: 0.0951791888069455
Energy: 0.09528743123645791
Energy: 0.07321970839850939
Energy: 0.07372862195572075
Energy: 0.07309679364828278
Energy: 0.07464099935298676
Energy: 0.0738424471560536
Energy: 0.07308077128466961
Energy: 0.09636406346582108
Energy: 0.07363511803971631
Energy: 0.07384516976110461
Energy: 0.09522388950269366
Energy: 0.07696903536777348
Energy: 0.07344565568312529
Energy: 0.09516099410111062
Energy: 0.07307252092426354
Energy: 0.07304305756709285
Energy: 0.09525368424530106
Energy: 0.07281725789757222
Energy: 0.09563524841229416
Energy: 0.07488342643546513
Energy: 0.07308038406279142
Energy: 0.09677199937468446
Energy: 0.07495037538980226
Energy: 0.07328196901705114
Energy: 0.09610120956024305
Energy: 0.07342133389304074
Energy: 0.09507376918797197
Energy: 0.09515214383119619
Energy: 0.0732377251726945
Energy: 0.09534456680322166
Energy: 0.09602124893904918

minimum gb energy = 0.07255210576425757 eV
minimum distance =  2.83979947987992 Angstroms
sigma value = 3


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

Energy: 0.3691994525788066
Energy: 0.39387428941439045
Energy: 0.378196562776063
Energy: 0.32940822481920334
Energy: 0.39362727213562093
Energy: 0.3739008513752323
Energy: 0.39993092034731326
Energy: 0.38680925536864846
Energy: 0.3852555198957201
Energy: 0.38194305890308555
Energy: 0.38320892571938586
Energy: 0.38503912484026853
Energy: 0.39048746465699086
Energy: 0.34603851821499937
Energy: 0.36176961098816024
Energy: 0.39063124064426913
Energy: 0.34537940591064054
Energy: 0.37737373866612955
Energy: 0.35353038882370197
Energy: 0.359752139994776
Energy: 0.36196969035625987
Energy: 0.3532969365603178
Energy: 0.3570425490409099
Energy: 0.37734269113765573
Energy: 0.31959726086457035
Energy: 0.38456221436114135
Energy: 0.3844617680576911
Energy: 0.31965110910266326
Energy: 0.3862555949679787
Energy: 0.38443788022984665
Energy: 0.2959278242342613
Energy: 0.3786121418714495
Energy: 0.36292095362777466
Energy: 0.3184858025338089
Energy: 0.37889901435155987
Energy: 0.3499830973157032
Energy: 0.3785790931467096
Energy: 0.32041230552923394
Energy: 0.350184769644518
Energy: 0.3502593892803404
Energy: 0.32041664519347884
Energy: 0.35424893559695353
Energy: 0.3627360988208793
Energy: 0.31749063898338575
Energy: 0.3500525843201289
Energy: 0.36334026051394624
Energy: 0.3007583012346277
Energy: 0.3343814466606448
Energy: 0.36857023562973085
Energy: 0.34984033900017303
Energy: 0.3671561813090959
Energy: 0.3637182740464752
Energy: 0.2959466666566238
Energy: 0.36299419615766676
Energy: 0.29633528690448735
Energy: 0.32103699717659895
Energy: 0.32119408445867226
Energy: 0.2963616116599616
Energy: 0.3215172927812096
Energy: 0.3337943528525396
Energy: 0.28110037620687106
Energy: 0.35068134135888185
Energy: 0.3505609794692801
Energy: 0.30290850063267394
Energy: 0.35925947082095017
Energy: 0.3357345879700273
Energy: 0.2963562660401804
Energy: 0.3397081979996368
Energy: 0.3521710081777848
Energy: 0.29634701433363586
Energy: 0.3356348539747928
Energy: 0.2963691946671389
Energy: 0.30040464186446086
Energy: 0.29325551464304844
Energy: 0.3509390453033369
Energy: 0.2982528203831452
Energy: 0.2931673815677078
Energy: 0.2982698741660326
Energy: 0.3511830874278924
Energy: 0.3374994989469624
Energy: 0.33603951314666647
Energy: 0.3138520827332614
Energy: 0.28135087279837095
Energy: 0.3376066424782478
Energy: 0.3449322860427031
Energy: 0.2813965802125857
Energy: 0.2813317224989293
Energy: 0.34218827425632764
Energy: 0.2834321470573085
Energy: 0.28137335466614605
Energy: 0.27448348849208887
Energy: 0.33089684431526234
Energy: 0.3296800881909049
Energy: 0.29359818670154075
Energy: 0.30680895440622885
Energy: 0.3302016165586318
Energy: 0.2766902247882005
Energy: 0.29961753283387177
Energy: 0.2746499897140678
Energy: 0.27433002115876753
Energy: 0.29944979274094546
Energy: 0.27431161938615345
Energy: 0.27410630591561574
Energy: 0.29281780765413445
Energy: 0.27528122115088566
Energy: 0.2744136608603207
Energy: 0.29351116978992786
Energy: 0.27505212522095457
Energy: 0.3381429297255296
Energy: 0.2752617068750421
Energy: 0.3261052837695285
Energy: 0.29386220639070443
Energy: 0.2750751502571633
Energy: 0.3259483153970527
Energy: 0.33789834152646314
Energy: 0.274137138159442
Energy: 0.27390209540472277
Energy: 0.3390836007320906
Energy: 0.2762136159336549
Energy: 0.2739291557690079
Energy: 0.28240319323056
Energy: 0.3164331854569519
Energy: 0.3300194498362379
Energy: 0.2993021427767507
Energy: 0.29334923024755527
Energy: 0.3286810091049137
Energy: 0.2829201323903468
Energy: 0.2938233664349581
Energy: 0.3059142479532058
Energy: 0.28371817004562455
Energy: 0.29360226232573955
Energy: 0.28196528862636444
Energy: 0.2811627748981174
Energy: 0.33659230386382255
Energy: 0.336407539879009
Energy: 0.2812515321745942
Energy: 0.3131271350609598
Energy: 0.33688748310930994
Energy: 0.27585189727646847
Energy: 0.29848586436840446
Energy: 0.2981997104055507
Energy: 0.2966898547905745
Energy: 0.2983486562596105
Energy: 0.3121008331464355
Energy: 0.3199647168197938
Energy: 0.2963548860633985
Energy: 0.2963118691054267
Energy: 0.35298381540255896
Energy: 0.29643687153284914
Energy: 0.29638121066741685
Energy: 0.36306787359729253
Energy: 0.3069279941311051
Energy: 0.3410832311721781
Energy: 0.34274937005333306
Energy: 0.29497458355695705
Energy: 0.3504524898379944
Energy: 0.3238291252225411
Energy: 0.3413537926721576
Energy: 0.3412577900069689
Energy: 0.32479359773518196
Energy: 0.34094257108509174
Energy: 0.3342557743221914
Energy: 0.3056984370790493
Energy: 0.36864416172827974
Energy: 0.3607450656491385
Energy: 0.3057085007730126
Energy: 0.3665547977053372
Energy: 0.3605847271078456
Energy: 0.2861212190511305
Energy: 0.355278372150264
Energy: 0.35048285033788584
Energy: 0.30815173036853655
Energy: 0.35390006490792386
Energy: 0.3263073559241376
Energy: 0.35908881360656514
Energy: 0.3506811732124655
Energy: 0.3549980003887154
Energy: 0.35921849613676343
Energy: 0.35093169528497714
Energy: 0.35443284415540977
Energy: 0.39754835495371793
Energy: 0.32797598013976503
Energy: 0.3583564432560819
Energy: 0.37910252171956565
Energy: 0.3064810114756983
Energy: 0.35883600510283276
Energy: 0.401067681710652
Energy: 0.35818328057235377
Energy: 0.3647947734959033
Energy: 0.382849569397227
Energy: 0.3053637864200525
Energy: 0.38415768137345047
Energy: 0.3334146976896593
Energy: 0.3521365112029073
Energy: 0.38488756673084146
Energy: 0.333471953638473
Energy: 0.35393168058604235
Energy: 0.3633235248331977

minimum gb energy = 0.27390209540472277 eV
minimum distance =  2.62915913258686 Angstroms
sigma value = 67


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

Energy: 0.49599044398847053
Energy: 0.45487201546076184
Energy: 0.42967496451415255
Energy: 0.3594144072839432
Energy: 0.4962323048335866
Energy: 0.43223060833611116
Energy: 0.46173892881347933
Energy: 0.4325003783389515
Energy: 0.4326054264102425
Energy: 0.4301508480933263
Energy: 0.4315839988086348
Energy: 0.4329599215265253
Energy: 0.4384540626724157
Energy: 0.3777658648995009
Energy: 0.4327341751894954
Energy: 0.4342838044932635
Energy: 0.38172038798749075
Energy: 0.4308404963784167
Energy: 0.43374106011768115
Energy: 0.42999962796424546
Energy: 0.43094442871785127
Energy: 0.43417430197884105
Energy: 0.38524707081020093
Energy: 0.4313110424523545
Energy: 0.389219588161138
Energy: 0.4343745441096197
Energy: 0.43563626525814936
Energy: 0.3891268854879179
Energy: 0.4445594559225308
Energy: 0.4320908397734762
Energy: 0.40063061990411164
Energy: 0.4340539474592724
Energy: 0.4070603417637529
Energy: 0.3777950650309684
Energy: 0.43414103848258817
Energy: 0.40415370370197445
Energy: 0.38863658848703686
Energy: 0.3930202086109801
Energy: 0.39059219782105387
Energy: 0.3924195528919666
Energy: 0.39387489762223316
Energy: 0.39135366139715827
Energy: 0.39212414215237007
Energy: 0.3512780225110131
Energy: 0.36116849843855325
Energy: 0.3929503963923523
Energy: 0.3544174762637503
Energy: 0.39366470916293783
Energy: 0.4066110342561444
Energy: 0.4032476602817341
Energy: 0.4075017134971165
Energy: 0.40720428878974835
Energy: 0.3459977252597126
Energy: 0.4067510610301826
Energy: 0.3669036388455048
Energy: 0.34907049358680026
Energy: 0.3460970747262507
Energy: 0.36763420451619305
Energy: 0.3482453544077957
Energy: 0.34639023051248674
Energy: 0.32445158266663043
Energy: 0.38301591770491766
Energy: 0.382091130895054
Energy: 0.35329025373474787
Energy: 0.3669340323241899
Energy: 0.3829620443210109
Energy: 0.328715480133184
Energy: 0.3740179546594969
Energy: 0.3247518691970016
Energy: 0.3275468756327661
Energy: 0.3678412306243414
Energy: 0.32520499306787615
Energy: 0.3279812381349541
Energy: 0.353345560488665
Energy: 0.3251420864408929
Energy: 0.3269677283890001
Energy: 0.3504391086077087
Energy: 0.32484149168074766
Energy: 0.3276964834157731
Energy: 0.37587187636346847
Energy: 0.37346379641053057
Energy: 0.350123879824407
Energy: 0.3247699534441685
Energy: 0.3739563423362113
Energy: 0.39132841298545107
Energy: 0.3274736828582529
Energy: 0.32511551943332834
Energy: 0.3922484544296095
Energy: 0.32712993994701395
Energy: 0.3246904826910986
Energy: 0.37228447411377663
Energy: 0.386216201833522
Energy: 0.38178533223474664
Energy: 0.36922695616960904
Energy: 0.32505176967033955
Energy: 0.3805189786532196
Energy: 0.34684337931818676
Energy: 0.34439775850181537
Energy: 0.3537116124659782
Energy: 0.3477242245080811
Energy: 0.34820697129206335
Energy: 0.3465519995765565
Energy: 0.34669206424615046
Energy: 0.4051805567272283
Energy: 0.40681388426904747
Energy: 0.34673086969771927
Energy: 0.4017958586891749
Energy: 0.345930490641555
Energy: 0.39393008632879706
Energy: 0.40531275222231977
Energy: 0.37759158157366185
Energy: 0.35894462849718833
Energy: 0.40749435588892924
Energy: 0.3802736573539003
Energy: 0.39347813455741487
Energy: 0.3927617409451681
Energy: 0.3939891773182336
Energy: 0.39325948546926315
Energy: 0.403876489514322
Energy: 0.39138116794665906
Energy: 0.4443092028266766
Energy: 0.39543355513860656
Energy: 0.4196775370506041
Energy: 0.4347721331211255
Energy: 0.35754842350776855
Energy: 0.4250868589810191
Energy: 0.43853912712915977
Energy: 0.3583225301100539
Energy: 0.43958648993971416
Energy: 0.434178183446451
Energy: 0.36339485241743696
Energy: 0.4241233857559804
Energy: 0.4139268889608117
Energy: 0.4327898945184528
Energy: 0.4321377288703826
Energy: 0.4113103959270349
Energy: 0.43170205250594307
Energy: 0.4218432355038608

minimum gb energy = 0.32445158266663043 eV
minimum distance =  2.62889177045813 Angstroms
sigma value = 33


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

Energy: 0.5587923709645347
Energy: 0.4959826136259323
Energy: 0.4841401104858051
Energy: 0.4082851652374369
Energy: 0.49536441755292393
Energy: 0.44299783020032596
Energy: 0.48493849118389115
Energy: 0.4486936564519868
Energy: 0.45193916807967005
Energy: 0.4509425618467155
Energy: 0.45007245074718194
Energy: 0.45163948198918885
Energy: 0.46612856088214766
Energy: 0.444920579616932
Energy: 0.45257288985539124
Energy: 0.450359628099791
Energy: 0.4448133672808147
Energy: 0.44781228076866153
Energy: 0.44925072354833995
Energy: 0.4444516955017327
Energy: 0.4482243478748493
Energy: 0.45027606556674415
Energy: 0.44423804199990763
Energy: 0.448198923217931
Energy: 0.3982610363995698
Energy: 0.45231969070274924
Energy: 0.4506510116429782
Energy: 0.39880099759541543
Energy: 0.44970746543044343
Energy: 0.4493585460069724
Energy: 0.35600184993656075
Energy: 0.4498154248494972
Energy: 0.4506365783488263
Energy: 0.39472630222875754
Energy: 0.46256209725445985
Energy: 0.40774337055188764
Energy: 0.3983008150449565
Energy: 0.4501239449410363
Energy: 0.43311341625864863
Energy: 0.39853672936160733
Energy: 0.4499887373858426
Energy: 0.40244722131748123
Energy: 0.3964157301582499
Energy: 0.39339095904042054
Energy: 0.39394277566422864
Energy: 0.3972236500246498
Energy: 0.39626514130059015
Energy: 0.39864400180397347
Energy: 0.40625290737068903
Energy: 0.41856273274157635
Energy: 0.41476103869241904
Energy: 0.41358141167347545
Energy: 0.3554061237048282
Energy: 0.41261840710261455
Energy: 0.4226400042616818
Energy: 0.3561044800411327
Energy: 0.3556107351371625
Energy: 0.42422058676697794
Energy: 0.35668310744715165
Energy: 0.35535291455057844
Energy: 0.3852263255324691
Energy: 0.401180386162146
Energy: 0.3982282465599339
Energy: 0.388002722509456
Energy: 0.35537225223651003
Energy: 0.39761395581761294
Energy: 0.35671263096876527
Energy: 0.38758517740035453
Energy: 0.3765091698225329
Energy: 0.3575144080529821
Energy: 0.3927976323121577
Energy: 0.3552108203082322
Energy: 0.355576222306956
Energy: 0.4188732780759276
Energy: 0.35652267184406744
Energy: 0.35538643380911045
Energy: 0.41500295121445613
Energy: 0.3561465496674517
Energy: 0.34486861232152716
Energy: 0.41309746455626206
Energy: 0.413541071370422
Energy: 0.38078577808016617
Energy: 0.40645393695787374
Energy: 0.39462707785733153
Energy: 0.39112709264542006
Energy: 0.40245239619778667
Energy: 0.40121598988494317
Energy: 0.3911174897465207
Energy: 0.3998132589075251
Energy: 0.39881579841219367
Energy: 0.45279402243420064
Energy: 0.42721461836382363
Energy: 0.4283738920009643
Energy: 0.44905097280940204
Energy: 0.36602723645795177
Energy: 0.4499971718053141
Energy: 0.4667494311182723
Energy: 0.4074300679454915
Energy: 0.40753711145372684
Energy: 0.46719246586557217
Energy: 0.410349880644039
Energy: 0.4285220528386728
Energy: 0.4857645550950038
Energy: 0.45011278719419884
Energy: 0.45093290620133847
Energy: 0.4499279484535773
Energy: 0.4503975657114182
Energy: 0.4314275529270827
Energy: 0.3663147469818883
Energy: 0.4495828095711103
Energy: 0.4645431565573791
Energy: 0.4091591801741984
Energy: 0.44976508797534953
Energy: 0.43015815592574225
Energy: 0.4296027754030273
Energy: 0.44913079960851987
Energy: 0.4514805486530848
Energy: 0.42989950471119054
Energy: 0.4501162009531495
Energy: 0.4517455018156367
Energy: 0.4658381020664159
Energy: 0.4444998082576116
Energy: 0.45346136807210435
Energy: 0.45046687800686624
Energy: 0.4542445305508676
Energy: 0.4479701961942859
Energy: 0.40578273409988674
Energy: 0.4444534166106424
Energy: 0.4482169392019317
Energy: 0.4500818423473406
Energy: 0.4446775384887536
Energy: 0.44818010445460693
Energy: 0.398480277757144
Energy: 0.4520016043481096
Energy: 0.45047099687185277
Energy: 0.398755293051008
Energy: 0.46281631428705816
Energy: 0.44966957980599076
Energy: 0.35646824596600346
Energy: 0.4493379881000476
Energy: 0.4496895669145438
Energy: 0.39612157364443873
Energy: 0.4568548337473329
Energy: 0.4244601475176944
Energy: 0.3983744250942919
Energy: 0.44975627979816213
Energy: 0.451177857638846
Energy: 0.3985930803870983
Energy: 0.44859788307884013
Energy: 0.39818000838552114
Energy: 0.3971902258846003
Energy: 0.3935525494907848
Energy: 0.39379245493171966
Energy: 0.3969989356815431
Energy: 0.3934237405669159
Energy: 0.39858720180153634
Energy: 0.41373703846628096
Energy: 0.39455788233294203
Energy: 0.41530820757479286
Energy: 0.4181191597173976
Energy: 0.3883108204326098
Energy: 0.4128017669131664
Energy: 0.4226052053719096
Energy: 0.35614425953163487
Energy: 0.3557469756761717
Energy: 0.41898828205972655
Energy: 0.3573602346908947
Energy: 0.35557937908067155
Energy: 0.3852280363149107
Energy: 0.3810895152250815
Energy: 0.4005195084673833
Energy: 0.3876034458873394
Energy: 0.35510101904269986
Energy: 0.3994952798939954
Energy: 0.35481083932987917
Energy: 0.37700418445464806
Energy: 0.35479997440967054
Energy: 0.3548338343334305
Energy: 0.3978971618516427
Energy: 0.3549274226217515
Energy: 0.35828142250033074
Energy: 0.4194780745441747
Energy: 0.35608945525949576
Energy: 0.35903020482004866
Energy: 0.4155829785804794
Energy: 0.35614187162218514
Energy: 0.34514528080143625
Energy: 0.4154455002170323
Energy: 0.4151301553626024
Energy: 0.38185585529193433
Energy: 0.4126216186967659
Energy: 0.4006875873987379
Energy: 0.39126464506949327
Energy: 0.3983096249325619
Energy: 0.4015631602994561
Energy: 0.3919401630925845
Energy: 0.3996222733231367
Energy: 0.39841920727579816
Energy: 0.4428044811369323
Energy: 0.41059293036149025
Energy: 0.44972712412681537
Energy: 0.44854910205143805
Energy: 0.3656286901631827
Energy: 0.45026339258431497
Energy: 0.4664575624566104
Energy: 0.407286806786999
Energy: 0.40749053251925094
Energy: 0.4633435742060505
Energy: 0.3789768609462257
Energy: 0.4288874659612527
Energy: 0.4896497034878608
Energy: 0.4503079425446024
Energy: 0.4344601669089494
Energy: 0.4502412027635238
Energy: 0.4507080654007936
Energy: 0.4340708572302566
Energy: 0.36602875191133466
Energy: 0.4496285628168181
Energy: 0.46481623964275776
Energy: 0.409094013666344
Energy: 0.4500648102882114
Energy: 0.42896156588297163

minimum gb energy = 0.34486861232152716 eV
minimum distance =  2.61797422963014 Angstroms
sigma value = 41


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

Energy: 0.5236376996706206
Energy: 0.5993609471240803
Energy: 0.5484159694392462
Energy: 0.44383251195386686
Energy: 0.6012937547601163
Energy: 0.5053193116129995
Energy: 0.49520545648029507
Energy: 0.46983623317277884
Energy: 0.4529921961686645
Energy: 0.4651376913866624
Energy: 0.4669405720917272
Energy: 0.4511903884143924
Energy: 0.5936429267743544
Energy: 0.478392587402056
Energy: 0.46523721389831946
Energy: 0.5943206704046322
Energy: 0.4738338256755275
Energy: 0.46173235355007886
Energy: 0.4736793745631068
Energy: 0.48523823906983626
Energy: 0.46566747928068647
Energy: 0.4637582662257448
Energy: 0.47578329552970783
Energy: 0.4630726228068118
Energy: 0.40952717592157617
Energy: 0.4682861479244987
Energy: 0.4516745639099367
Energy: 0.41002525890879626
Energy: 0.46539213575792193
Energy: 0.4548237796933729
Energy: 0.43416182120583086
Energy: 0.4661329255981982
Energy: 0.47806914821509555
Energy: 0.441177666750455
Energy: 0.47865539136294766
Energy: 0.4755124522415832
Energy: 0.4097889004993101
Energy: 0.46868835621233285
Energy: 0.4031038341743383
Energy: 0.4099089423547424
Energy: 0.4718063864564861
Energy: 0.4020556916582781
Energy: 0.40932512251212483
Energy: 0.42815620348348543
Energy: 0.4158328514819021
Energy: 0.4100968055063313
Energy: 0.44219132586231935
Energy: 0.4097068303451596
Energy: 0.4570833842660255
Energy: 0.44037564974593696
Energy: 0.43872502025235244
Energy: 0.41645465281031757
Energy: 0.4238552683004185
Energy: 0.43911371596067844
Energy: 0.42942326609558223
Energy: 0.4109729278843571
Energy: 0.401847044785912
Energy: 0.45185518145408565
Energy: 0.4112972164771595
Energy: 0.4197088562533057
Energy: 0.4788103637899198
Energy: 0.41642794687851015
Energy: 0.40166803613220986
Energy: 0.46614222716922393
Energy: 0.38821781126447263
Energy: 0.4724415747395076
Energy: 0.4793289059115561
Energy: 0.44009644647334284
Energy: 0.43802641020818417
Energy: 0.47979275367996277
Energy: 0.441798533244678
Energy: 0.4376404335214308
Energy: 0.4949894290467066
Energy: 0.47055026747006273
Energy: 0.4062549815353052
Energy: 0.46849730864607486
Energy: 0.48522819179946525
Energy: 0.4058017697100622
Energy: 0.3890399203470722
Energy: 0.46402170170326357
Energy: 0.48806608592515255
Energy: 0.4405419408282059
Energy: 0.4753928262630962
Energy: 0.5029955128106115

minimum gb energy = 0.38821781126447263 eV
minimum distance =  2.60473911014234 Angstroms
sigma value = 11


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

Energy: 0.6315500003556405
Energy: 0.5461628175892836
Energy: 0.5865339806840566
Energy: 0.47763113808318175
Energy: 0.6463200989998635
Energy: 0.5436862749725354
Energy: 0.5772216779458137
Energy: 0.4699287924124535
Energy: 0.4726065731895487
Energy: 0.49314860350056533
Energy: 0.4707101697709862
Energy: 0.47700293418628836
Energy: 0.5617607017942433
Energy: 0.5132540355814836
Energy: 0.5137002210193256
Energy: 0.562256422394482
Energy: 0.5129045103356945
Energy: 0.5202656481794093
Energy: 0.5096059099500488
Energy: 0.5149600800673151
Energy: 0.5184725306774632
Energy: 0.5117651127798958
Energy: 0.5153765974892774
Energy: 0.5185285324051414
Energy: 0.4975871118333392
Energy: 0.46672675535593056
Energy: 0.47797170518385607
Energy: 0.47799314695860046
Energy: 0.46005586137047005
Energy: 0.4782300093626959
Energy: 0.5234572531786787
Energy: 0.45745091804140003
Energy: 0.45912228486946566
Energy: 0.4847163961886203
Energy: 0.457352066184559
Energy: 0.4825550176081994
Energy: 0.45918391512367657
Energy: 0.484455217634167
Energy: 0.4835044082859827
Energy: 0.45728590911505446
Energy: 0.48299030989611663
Energy: 0.4579215931007977
Energy: 0.4722896171270362
Energy: 0.4770403064483788
Energy: 0.47259375888313265
Energy: 0.4594338621274
Energy: 0.5019919222616503
Energy: 0.47302858865097697
Energy: 0.45838431786253275
Energy: 0.5215179053572363
Energy: 0.5205571527079706
Energy: 0.4994643600557997
Energy: 0.5116257262454191
Energy: 0.5257068512297449
Energy: 0.45811617408384403
Energy: 0.5217549090783539
Energy: 0.5205742104280704
Energy: 0.5048881836752477
Energy: 0.4947904479314067
Energy: 0.5258480977399106
Energy: 0.4944150318878537
Energy: 0.4806793571337218
Energy: 0.4778834945935493
Energy: 0.4949319119105453
Energy: 0.48177972600789115
Energy: 0.4729890306756025
Energy: 0.535483990812145
Energy: 0.511226049934132
Energy: 0.511339011022695
Energy: 0.533341337131967
Energy: 0.5121584798115332
Energy: 0.557256856730734
Energy: 0.46045654674683045
Energy: 0.5049539518170798
Energy: 0.47669067024798734
Energy: 0.46055098108984377
Energy: 0.49381732776326176
Energy: 0.47696249090607906
Energy: 0.5556902208526104
Energy: 0.4945314167077558
Energy: 0.5242281822034071
Energy: 0.49038458155742465
Energy: 0.5093038688387111
Energy: 0.5173026892627934
Energy: 0.4502426033613982
Energy: 0.48637152042435455
Energy: 0.5158075383476863
Energy: 0.4630338574610172
Energy: 0.4886838961947699
Energy: 0.5152780329685377
Energy: 0.451826225030363
Energy: 0.4706053956692552
Energy: 0.46643713127230607
Energy: 0.45273045876868473
Energy: 0.4828612963134095
Energy: 0.46618932743042224
Energy: 0.4498890738166646
Energy: 0.4902786190102075
Energy: 0.48925493670830644
Energy: 0.4551222299457141
Energy: 0.4870388850856693
Energy: 0.4895115228391415
Energy: 0.5295746474007522
Energy: 0.4768607361125088
Energy: 0.4736128720259959
Energy: 0.4812002536325469
Energy: 0.48064525158596605
Energy: 0.4690841650127278
Energy: 0.47731829656021396
Energy: 0.4854209345204856
Energy: 0.48556580039492864
Energy: 0.480377006217516
Energy: 0.47216553335146805
Energy: 0.48221020892083494
Energy: 0.5665364742795594
Energy: 0.5249456156027981
Energy: 0.524723342984524
Energy: 0.5665497640036882
Energy: 0.5248895498837792
Energy: 0.5015949309211986
Energy: 0.47863904471704916
Energy: 0.5298701371374456
Energy: 0.5020402186282755
Energy: 0.47468361491424327
Energy: 0.5275704465238991
Energy: 0.4906898687011356
Energy: 0.46709000717609384
Energy: 0.4872619785229506
Energy: 0.49133161758447996
Energy: 0.4756052103567852
Energy: 0.529797015150503
Energy: 0.49082694517940556
Energy: 0.6020853967801063
Energy: 0.5294205571275199
Energy: 0.4985833683737316
Energy: 0.5133683007340011
Energy: 0.5205391523568275
Energy: 0.514357336420049
Energy: 0.5165927223298142
Energy: 0.4815364886543536
Energy: 0.4820505922820955
Energy: 0.4816952093302873
Energy: 0.4803818023585977
Energy: 0.4821820356550231
Energy: 0.4789066406746857
Energy: 0.49203225425464986
Energy: 0.487435007464942
Energy: 0.47991981148671536
Energy: 0.4830331107048008
Energy: 0.47204878381823767
Energy: 0.5124880995184011
Energy: 0.455797023634503
Energy: 0.4777699339804035
Energy: 0.48640571960331885
Energy: 0.4551862931975296
Energy: 0.48950325476659656
Energy: 0.5092354999214579
Energy: 0.4580940790941976
Energy: 0.4634542692414236
Energy: 0.4764380654273199
Energy: 0.4506247336127086
Energy: 0.4668143799892604
Energy: 0.5162190456694279
Energy: 0.4636324928560579
Energy: 0.4692955337395895
Energy: 0.49927625437937967
Energy: 0.4631727661978287
Energy: 0.5134877424192359
Energy: 0.5099676141947406
Energy: 0.5008826869026786
Energy: 0.5017844209267188
Energy: 0.5101160066184722
Energy: 0.47981844836626847
Energy: 0.5081226548274335
Energy: 0.5607474631498625
Energy: 0.4723042320432672
Energy: 0.47719598589961626
Energy: 0.49199973736956965
Energy: 0.47152774430315814
Energy: 0.47713558777918585
Energy: 0.4485571413129277
Energy: 0.4877176526885386
Energy: 0.48405732664751006
Energy: 0.52528919146316
Energy: 0.5685204797850548
Energy: 0.4914138572454989

minimum gb energy = 0.4485571413129277 eV
minimum distance =  2.60245995637962 Angstroms
sigma value = 57


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

Energy: 0.555626940566854
Energy: 0.6639723567026988
Energy: 0.5132037360935505
Energy: 0.5092076830149056
Energy: 0.6604237944146033
Energy: 0.5140048266107642
Energy: 0.4812184405389276
Energy: 0.4740001570380622
Energy: 0.4855647585509057
Energy: 0.4769327629808414
Energy: 0.49553244083799564
Energy: 0.5081078132175532
Energy: 0.4852971518336877
Energy: 0.4972693881523315
Energy: 0.48364313631593014
Energy: 0.4854330957905865
Energy: 0.4965281772971079
Energy: 0.4864464846036901
Energy: 0.4759040875861588
Energy: 0.4708593210117419
Energy: 0.4676733869271352
Energy: 0.486376111855559
Energy: 0.5023725648605231
Energy: 0.4670100997728106
Energy: 0.47548135718582185
Energy: 0.4879860408906785
Energy: 0.4882990948386065
Energy: 0.5021514610979159
Energy: 0.4867422319959988
Energy: 0.4850729222841223
Energy: 0.5291376227251593
Energy: 0.49667723252249624
Energy: 0.4989036907994662
Energy: 0.5035642841071818
Energy: 0.483733653403234
Energy: 0.4886432548743494
Energy: 0.483388311817417
Energy: 0.4865530026609812
Energy: 0.4573858091761548
Energy: 0.4844540868442261
Energy: 0.4901224551305083
Energy: 0.4968157115166538
Energy: 0.4827041248708823
Energy: 0.47115123195803466
Energy: 0.47233730389439577
Energy: 0.4963142416057719
Energy: 0.4717144263289856
Energy: 0.4670793993929545
Energy: 0.5675106731762668
Energy: 0.4854728271556823
Energy: 0.5098776150113346
Energy: 0.5070360150037413
Energy: 0.47699970767576233
Energy: 0.508358360316299
Energy: 0.5676499024496328
Energy: 0.4857940755398564
Energy: 0.5098561120616382
Energy: 0.507143635449131
Energy: 0.4827865100048817
Energy: 0.5082288321563707
Energy: 0.4820326786458353
Energy: 0.47104312687158356
Energy: 0.47244119482546
Energy: 0.49574799511161904
Energy: 0.47240588705506387
Energy: 0.46770508928685506
Energy: 0.47997590513879795
Energy: 0.5015907125589184
Energy: 0.48954713868952054
Energy: 0.4807065873177064
Energy: 0.5015837763858129
Energy: 0.48672851938677164
Energy: 0.4759481760037566
Energy: 0.4677023223823761
Energy: 0.4670498405509079
Energy: 0.47752749831968777
Energy: 0.47751378094292046
Energy: 0.48410057780602694
Energy: 0.5238265348318504
Energy: 0.4862485544312833
Energy: 0.4857918813723354
Energy: 0.5036703634353503
Energy: 0.4838497610191503
Energy: 0.48558256069904987
Energy: 0.481039071182881
Energy: 0.500658530554358
Energy: 0.48546760707875963
Energy: 0.4882949896132598
Energy: 0.501577011639792
Energy: 0.4847811318216401
Energy: 0.48507234574254154
Energy: 0.4991485875516343
Energy: 0.48324018819158826
Energy: 0.485965297887737
Energy: 0.48800254549452465
Energy: 0.48598729824433795
Energy: 0.45126190569368874
Energy: 0.4772554211201804
Energy: 0.47978932573471983
Energy: 0.4521616931331301
Energy: 0.47817661943217643
Energy: 0.4763700329011636

minimum gb energy = 0.45126190569368874 eV
minimum distance =  2.64166148195288 Angstroms
sigma value = 9


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

Energy: 0.6933579643347417
Energy: 0.5916241962817951
Energy: 0.5021485230014948
Energy: 0.5018893947125987
Energy: 0.5336690958194122
Energy: 0.5063783389026756
Energy: 0.5655401216634889
Energy: 0.49530681995687587
Energy: 0.49296149736313083
Energy: 0.4810424011452999
Energy: 0.4973749193104832
Energy: 0.4903729448883523
Energy: 0.5272752807679935
Energy: 0.49337044620247933
Energy: 0.5087237284621948
Energy: 0.5280142231058914
Energy: 0.49002849599453785
Energy: 0.5081632963538487
Energy: 0.5186565383156944
Energy: 0.4945498350225968
Energy: 0.49376581770878136
Energy: 0.5196479583285929
Energy: 0.514277454626272
Energy: 0.48715702185750315
Energy: 0.47868480993509216
Energy: 0.4949914116391717
Energy: 0.4933281110559677
Energy: 0.4779345222665164
Energy: 0.4929901798600399
Energy: 0.48946727679363994
Energy: 0.48149433507855977
Energy: 0.48593136243660784
Energy: 0.4841743170872754
Energy: 0.48572069314062216
Energy: 0.4866341366157418
Energy: 0.4833513310564363
Energy: 0.5213671762200117
Energy: 0.4981937385517121
Energy: 0.4843315669444917
Energy: 0.5215435589975774
Energy: 0.49576993532330466
Energy: 0.6047780193844354
Energy: 0.5125322909486476
Energy: 0.4923049826245378
Energy: 0.488201431334683
Energy: 0.5016157504859114
Energy: 0.4984449543317322
Energy: 0.48526957311634467
Energy: 0.5364745384893548
Energy: 0.5097977432276122
Energy: 0.48327776361960584
Energy: 0.4877845937703843
Energy: 0.5334365011061794
Energy: 0.48700952739391956
Energy: 0.5376194517437574
Energy: 0.49349213281275506
Energy: 0.4923952783452854
Energy: 0.49432918106694657
Energy: 0.5002567906198951
Energy: 0.48914750504586135
Energy: 0.5148329076920616
Energy: 0.4865240274475666
Energy: 0.48871144804452515
Energy: 0.4998038489167831
Energy: 0.47897055575529146
Energy: 0.49218045884779443
Energy: 0.5146618400788242
Energy: 0.4837140923022939
Energy: 0.4936520034515398
Energy: 0.5070160118741809
Energy: 0.48145306444170616
Energy: 0.49555392394890835
Energy: 0.5233472575033561
Energy: 0.5103865251146238
Energy: 0.5348980209592779
Energy: 0.4923584557480012
Energy: 0.5059684101366578
Energy: 0.49001370034371267
Energy: 0.5197749795628659
Energy: 0.4984815386674752
Energy: 0.5022895595297703
Energy: 0.5030989740728471
Energy: 0.4970610815755443
Energy: 0.49350816480027404
Energy: 0.5416894404228988
Energy: 0.4820130434538956
Energy: 0.48856018913982246
Energy: 0.5344790566829849
Energy: 0.4803246100125046
Energy: 0.493047303558301
Energy: 0.534344573532943
Energy: 0.4943930428324175
Energy: 0.4849799335625425
Energy: 0.5348382408366089
Energy: 0.4926099679365744
Energy: 0.49090015271818227
Energy: 0.515621775151031
Energy: 0.48971596163750475
Energy: 0.4894722551436552
Energy: 0.4969414394448458
Energy: 0.4980090544896977
Energy: 0.5135972749097694
Energy: 0.5059000273038565
Energy: 0.5123246217801334
Energy: 0.5098747638499588
Energy: 0.4921715834546734
Energy: 0.512004609156179
Energy: 0.4872097503328401
Energy: 0.516412578648948
Energy: 0.4958899597016335
Energy: 0.48307273406854634
Energy: 0.5207744232357436
Energy: 0.4865613286645372
Energy: 0.49299593581143214
Energy: 0.5180290594169784
Energy: 0.4975247475302986
Energy: 0.4842392028522826
Energy: 0.5093859277005441
Energy: 0.49330286438997195
Energy: 0.4851092269088447
Energy: 0.5385712290505911
Energy: 0.48137479661556654
Energy: 0.4812876231095231
Energy: 0.48971562672022984
Energy: 0.4940333575719203
Energy: 0.4932460051047959

minimum gb energy = 0.4779345222665164 eV
minimum distance =  2.53733403604531 Angstroms
sigma value = 27


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

Energy: 0.44917778252422896
Energy: 0.6375429518696923
Energy: 0.4022067329988315
Energy: 0.40369929223646445
Energy: 0.4548339142793686
Energy: 0.45372107493244024
Energy: 0.5451737793691672
Energy: 0.5051512731221205
Energy: 0.4529984600303287
Energy: 0.43467315477041096
Energy: 0.450844851440193
Energy: 0.4341025385447617
Energy: 0.5372200216583874
Energy: 0.4674388360676019
Energy: 0.43495652429732035
Energy: 0.48168342941470144
Energy: 0.4317868082062999
Energy: 0.46498810232886456
Energy: 0.5349023576352759
Energy: 0.43492728530271263
Energy: 0.48266566285112994
Energy: 0.48001235021976435
Energy: 0.4759188450505685
Energy: 0.4877444772878514
Energy: 0.45636955583399696
Energy: 0.43551869475969407
Energy: 0.43539254623559553
Energy: 0.4554201733482619
Energy: 0.47443267302844305
Energy: 0.43529679474440597
Energy: 0.5011307286385445
Energy: 0.49009128722486106
Energy: 0.49385807265471804
Energy: 0.48058238329934677
Energy: 0.479481210578709
Energy: 0.4772574267231781
Energy: 0.5416718832963299
Energy: 0.4023732343535024
Energy: 0.4025479849760649
Energy: 0.473684401634283
Energy: 0.4047444932339774
Energy: 0.40257658965172116
Energy: 0.5314704507492887
Energy: 0.43482328542842014
Energy: 0.4938805333506066
Energy: 0.46757670356660247
Energy: 0.44205478457760694
Energy: 0.4687143615908918
Energy: 0.5719654126591848
Energy: 0.4869627785157201
Energy: 0.4862393976695421
Energy: 0.48436246075631145
Energy: 0.4868093051079884
Energy: 0.4849218828530173
Energy: 0.58667815310686
Energy: 0.48721571877982234
Energy: 0.48861580140176875
Energy: 0.4848315957304831
Energy: 0.48704473967126155
Energy: 0.48674949832364856
Energy: 0.5306042152766752
Energy: 0.45626055082031125
Energy: 0.4586526655588506
Energy: 0.486382948365509
Energy: 0.44225384131826223
Energy: 0.45639615174499165
Energy: 0.5331173498663794
Energy: 0.47157256457690655
Energy: 0.4776745787187719
Energy: 0.4915869431839278
Energy: 0.47126127975134935
Energy: 0.4792310340439303
Energy: 0.40209471830839494
Energy: 0.47069429922033706
Energy: 0.40270289952196153
Energy: 0.40235692464639555
Energy: 0.5070282735327074
Energy: 0.40286254871637767
Energy: 0.4022652896501661
Energy: 0.47157684890149926
Energy: 0.5004488665335918
Energy: 0.40253317598792
Energy: 0.48239834568232964
Energy: 0.40613791140446215
Energy: 0.5306789036384395
Energy: 0.4862968760080461
Energy: 0.48638195395069317
Energy: 0.5170233797387841
Energy: 0.4864232376477983
Energy: 0.4852808092789514
Energy: 0.536428756295558
Energy: 0.485817016994802
Energy: 0.48686993700916487
Energy: 0.47489280810132206
Energy: 0.48580435699083196
Energy: 0.4879961308517515
Energy: 0.4424696465014361
Energy: 0.5058637315805754
Energy: 0.5050249283777045
Energy: 0.44225439118063303
Energy: 0.47093854034811
Energy: 0.5089770900904038
Energy: 0.48708141679686523
Energy: 0.48548596318880605
Energy: 0.4624590190383102
Energy: 0.46461517026898014
Energy: 0.4860589178514227
Energy: 0.464747192441683
Energy: 0.5304693144209341
Energy: 0.4030394622666506
Energy: 0.4038875286319226
Energy: 0.46362499433077325
Energy: 0.4026580229842564
Energy: 0.40392857997009957
Energy: 0.5383166635839278
Energy: 0.4030957840419003
Energy: 0.40406496862818736
Energy: 0.44736021761900535
Energy: 0.4026624623244338
Energy: 0.40396913794767386
Energy: 0.5651021171836182
Energy: 0.4673843037330379
Energy: 0.4589925707032956
Energy: 0.49549006929844297
Energy: 0.46757468556477794
Energy: 0.46294415239376957
Energy: 0.4317253907045331
Energy: 0.4370377607501836
Energy: 0.4363232427943859
Energy: 0.43153785904306446
Energy: 0.4474985744377
Energy: 0.43594826465682707
Energy: 0.579965536504968
Energy: 0.4836015271732909
Energy: 0.44602814767141175
Energy: 0.4361392969062137
Energy: 0.479712033956434
Energy: 0.517020399468531
Energy: 0.5373545560916048
Energy: 0.43496540816651613
Energy: 0.448981305104241
Energy: 0.4344176818692108
Energy: 0.4428391527819143
Energy: 0.4652774480809619
Energy: 0.4494941998849382
Energy: 0.4586807340696988
Energy: 0.4352690398165434
Energy: 0.40294976651599196
Energy: 0.43531691102905484
Energy: 0.4519213957970014

minimum gb energy = 0.40209471830839494 eV
minimum distance =  2.58695758222519 Angstroms
sigma value = 19


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

Energy: 0.6956260866722284
Energy: 0.44016836858978087
Energy: 0.41149213503516585
Energy: 0.624750968025712
Energy: 0.44553185369375276
Energy: 0.41163789637672366
Energy: 0.5808038639272312
Energy: 0.42070358641305283
Energy: 0.45258332154405506
Energy: 0.4204522452560257
Energy: 0.42083206905725107
Energy: 0.4205517493047504
Energy: 0.5229977023756477
Energy: 0.4199839996338376
Energy: 0.4200621071553816
Energy: 0.42033168026708817
Energy: 0.4201379452944494
Energy: 0.4199730739622823
Energy: 0.4958474479908576
Energy: 0.42085475968285446
Energy: 0.42065756764574397
Energy: 0.4207219954148333
Energy: 0.42056208748642243
Energy: 0.42071318019607823
Energy: 0.42753139826767755
Energy: 0.4201140123878382
Energy: 0.42026086593372713
Energy: 0.42888040291589863
Energy: 0.42032173598722933
Energy: 0.41996033823069395
Energy: 0.4616071992321116
Energy: 0.47668685329204746
Energy: 0.420325373446663
Energy: 0.46146435316910867
Energy: 0.47637154774607693
Energy: 0.42045390088856377
Energy: 0.44354595694205673
Energy: 0.4192371686486074
Energy: 0.4193600981872631
Energy: 0.46179563901786685
Energy: 0.4192513040134117
Energy: 0.44377558839952114
Energy: 0.4347048792731532
Energy: 0.41965316272328035
Energy: 0.4202520631595125
Energy: 0.4345475050480218
Energy: 0.41983800700817947
Energy: 0.42033376337711537
Energy: 0.4200347924902652
Energy: 0.41994224518726886
Energy: 0.43006529720985415
Energy: 0.4201463319602322
Energy: 0.4200094903247778
Energy: 0.42012735901812254
Energy: 0.41980422864167094
Energy: 0.42050815000866737
Energy: 0.42069722577611485
Energy: 0.4207818158241848
Energy: 0.420557474065926
Energy: 0.4210879270133896
Energy: 0.5172442810593177
Energy: 0.4112555441584609
Energy: 0.41114955768428013
Energy: 0.420372577138626
Energy: 0.41362246201675956
Energy: 0.4111161134136517
Energy: 0.5274300490439755
Energy: 0.4104961827716901
Energy: 0.4104727070737203
Energy: 0.4518973055858133
Energy: 0.4113659112277449
Energy: 0.41067673390073484
Energy: 0.45480404368936
Energy: 0.4606988904353627
Energy: 0.4198662464833095
Energy: 0.41910704046134845
Energy: 0.4618611134996423
Energy: 0.41986429673007264
Energy: 0.48853825192773953
Energy: 0.4200541834795176
Energy: 0.42002298903958885
Energy: 0.40963778904569453
Energy: 0.41089137249715724
Energy: 0.419931133601627
Energy: 0.4868850486581471
Energy: 0.4107068622648382
Energy: 0.4108759178440805
Energy: 0.41062456301276407
Energy: 0.4107095307742132
Energy: 0.41052429726373924
Energy: 0.4871099997081666
Energy: 0.41123665801386405
Energy: 0.41121748910542083
Energy: 0.4107208887261851
Energy: 0.41076815044088966
Energy: 0.4114278003010443
Energy: 0.4393861469209372
Energy: 0.4203530210284235
Energy: 0.42789452644098525
Energy: 0.41244237681163637
Energy: 0.45806759078193304
Energy: 0.4276855812961288
Energy: 0.4704829937185545
Energy: 0.4103572682960546
Energy: 0.410654773660962
Energy: 0.4082301284195946
Energy: 0.44442569749423666
Energy: 0.4105930074894001
Energy: 0.4935229625455443
Energy: 0.40957984253808694
Energy: 0.40982672477562776
Energy: 0.4206119348852573
Energy: 0.4095319646289665
Energy: 0.4101619091276603
Energy: 0.48274796997874897
Energy: 0.40972950697044674
Energy: 0.40986100062578174
Energy: 0.4103933290086293
Energy: 0.4095943709637535
Energy: 0.4101340022765865
Energy: 0.4101023000050327
Energy: 0.410411446690638
Energy: 0.4102852464353441
Energy: 0.41057695762313123
Energy: 0.41052463176169945
Energy: 0.41033084041292617
Energy: 0.4288777067505134
Energy: 0.41092145815310405
Energy: 0.4116958918846999
Energy: 0.4108062491534093
Energy: 0.4104657788835809
Energy: 0.410573952941151
Energy: 0.48369105970857806
Energy: 0.4430060512536447
Energy: 0.4546658456502486
Energy: 0.44726719507454415
Energy: 0.40733669220101526
Energy: 0.47036646068809057
Energy: 0.5033440106995076
Energy: 0.4075941449476611
Energy: 0.4112914923242925
Energy: 0.448153504427931
Energy: 0.4074043455447079
Energy: 0.41121324386482005
Energy: 0.4565064631502146
Energy: 0.41039791802848297
Energy: 0.4109298789941864
Energy: 0.4104341378994601
Energy: 0.42018067443413415
Energy: 0.41088393262123735
Energy: 0.4344822273433375
Energy: 0.4518345725440846
Energy: 0.4200163410042387
Energy: 0.419417248385238
Energy: 0.4604283380814746
Energy: 0.42001885801131594
Energy: 0.4983109116781107
Energy: 0.4205442295727868
Energy: 0.42029893742147645
Energy: 0.42005616699409887
Energy: 0.4204484407606151
Energy: 0.42010434606005786
Energy: 0.4973794529531508
Energy: 0.42043569820712184
Energy: 0.4204596516655642
Energy: 0.42003807065746
Energy: 0.42047354895409467
Energy: 0.42053425164811287
Energy: 0.46997061036033616
Energy: 0.4201261657236073
Energy: 0.4203612387678982
Energy: 0.4070556483306623
Energy: 0.44921693615870106
Energy: 0.4107243789255048

minimum gb energy = 0.4070556483306623 eV
minimum distance =  2.58138248914574 Angstroms
sigma value = 101


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

Energy: 0.6405345386520908
Energy: 0.717839180577871
Energy: 0.4093261931421909
Energy: 0.6179256158340212
Energy: 0.4397184529273591
Energy: 0.6117704655436246
Energy: 0.5620249443166436
Energy: 0.4000867398955522
Energy: 0.4210135315787354
Energy: 0.3997653218081538
Energy: 0.4005953236950366
Energy: 0.3990558695710185
Energy: 0.5298913846686983
Energy: 0.39857947455308324
Energy: 0.3987090326315726
Energy: 0.4936336864729008
Energy: 0.4006089739304659
Energy: 0.3987821346831069
Energy: 0.42318878736264803
Energy: 0.39973646134084795
Energy: 0.3995699401337817
Energy: 0.3997870862091261
Energy: 0.39981042615778434
Energy: 0.39939997411219397
Energy: 0.4083588952469967
Energy: 0.39991382366672285
Energy: 0.39885538735885323
Energy: 0.4095279254096867
Energy: 0.4938674166171622
Energy: 0.40809626362242535
Energy: 0.43812195965528145
Energy: 0.45406410528779584
Energy: 0.3996731307267744
Energy: 0.4188089077468274
Energy: 0.4517220122266675
Energy: 0.4000061061185478
Energy: 0.4171594147993348
Energy: 0.3986151791100714
Energy: 0.3983533378035071
Energy: 0.4435961988707317
Energy: 0.3985258210597659
Energy: 0.3981668728447891
Energy: 0.418611443809974
Energy: 0.4535666967803176
Energy: 0.45152809143696127
Energy: 0.41902207500610666
Energy: 0.39866741653042553
Energy: 0.45901136770406104
Energy: 0.4000175006014992
Energy: 0.39878633473821856
Energy: 0.3989926807451834
Energy: 0.39956448772190495
Energy: 0.3992224637385829
Energy: 0.39886005846383554
Energy: 0.39833050838693934
Energy: 0.40005094759421034
Energy: 0.4005497061236952
Energy: 0.39873424831615106
Energy: 0.3995463664410964
Energy: 0.39939425670979667
Energy: 0.5237919826531539
Energy: 0.3867266498777158
Energy: 0.38660315886137847
Energy: 0.49274004839393404
Energy: 0.38909528852360453
Energy: 0.38673500813917827
Energy: 0.4646155160134007
Energy: 0.40010155274497206
Energy: 0.39972997753959416
Energy: 0.39993586193118896
Energy: 0.3991944706727586
Energy: 0.39960213703207487
Energy: 0.42220986533290866
Energy: 0.3987453155200783
Energy: 0.39905015665337745
Energy: 0.3991569764018493
Energy: 0.5078399448659948
Energy: 0.39849555578309787
Energy: 0.42172506732688403
Energy: 0.3989980276127298
Energy: 0.39904891715780555
Energy: 0.3979957932641093
Energy: 0.415609814298202
Energy: 0.3993295084031112
Energy: 0.4902446413121922
Energy: 0.3984366076751007
Energy: 0.3985964772752781
Energy: 0.4536639644216506
Energy: 0.4009998598119626
Energy: 0.39855766741746745
Energy: 0.4904629577195499
Energy: 0.3995266720637162
Energy: 0.3998601167085039
Energy: 0.3991762656957422
Energy: 0.39978004492800245
Energy: 0.3997728773669061
Energy: 0.6432851005762713
Energy: 0.40318327237578416
Energy: 0.40920570272069295
Energy: 0.3877951296675883
Energy: 0.472006331362973
Energy: 0.3860553977214254
Energy: 0.5033726898550955
Energy: 0.39896991342077404
Energy: 0.39863082071953587
Energy: 0.40843987874244486
Energy: 0.41466772006806546
Energy: 0.4090363818124461
Energy: 0.5313927980203477
Energy: 0.3988482740001561
Energy: 0.39889086875660673
Energy: 0.5069789870726884
Energy: 0.3989505731526257
Energy: 0.3986103056762766
Energy: 0.49052067082651274
Energy: 0.39890981407425574
Energy: 0.39884205215509194
Energy: 0.3989037988233533
Energy: 0.3989975166763312
Energy: 0.39869507226923634
Energy: 0.4101023454435151
Energy: 0.398787443139642
Energy: 0.3986404086126893
Energy: 0.41027763680294693
Energy: 0.39877747520528384
Energy: 0.4083470155526039
Energy: 0.437852237601551
Energy: 0.39908124230128134
Energy: 0.3993698145830832
Energy: 0.4031846872092234
Energy: 0.39907941194790864
Energy: 0.3994639252079747
Energy: 0.4169468224428121
Energy: 0.3982646066665685
Energy: 0.39800254255791
Energy: 0.4459507397798184
Energy: 0.3984300703095645
Energy: 0.41400886258607283
Energy: 0.4190381669086127
Energy: 0.3984222093942772
Energy: 0.3983637470686049
Energy: 0.4195353334673443
Energy: 0.39815197029893123
Energy: 0.39950876514353545
Energy: 0.39896946456375615
Energy: 0.39887646722929426
Energy: 0.39897028433012466
Energy: 0.39859297189599946
Energy: 0.39884733861685934
Energy: 0.39888175813584137
Energy: 0.3997885667433212
Energy: 0.3991139901559818
Energy: 0.3991392645225735
Energy: 0.3999113663000999
Energy: 0.3987120819204392
Energy: 0.39959097525845816
Energy: 0.4726771176525786
Energy: 0.3866996903530808
Energy: 0.38664076678700215
Energy: 0.41496022540931055
Energy: 0.3887673065788129
Energy: 0.3866270859554906
Energy: 0.4900547264663018
Energy: 0.3869885495257969
Energy: 0.38728177590333934
Energy: 0.39897252149111756
Energy: 0.3866629132522085
Energy: 0.3991831661718994
Energy: 0.4225775965278469
Energy: 0.4143637503920875
Energy: 0.39881936092837195
Energy: 0.3978149784588506
Energy: 0.398909139588679
Energy: 0.3989829044778113
Energy: 0.42284486376850383
Energy: 0.4140815648626865
Energy: 0.4143660263709128
Energy: 0.39802237487555525
Energy: 0.41542997660381503
Energy: 0.39907708065590497
Energy: 0.4925881058340383
Energy: 0.3993409590438902
Energy: 0.39952120754094106
Energy: 0.39871512794628894
Energy: 0.39869458008073005
Energy: 0.39903877808847066
Energy: 0.49030811266958574
Energy: 0.3992421886164148
Energy: 0.3991697335222646
Energy: 0.3986711383306894
Energy: 0.3991031602468598
Energy: 0.3992189919370018
Energy: 0.4332222205126716
Energy: 0.406664396064194
Energy: 0.4089082085957441
Energy: 0.3861657356504235
Energy: 0.4288274684558357
Energy: 0.4083848455173075

minimum gb energy = 0.3860553977214254 eV
minimum distance =  2.56792213001286 Angstroms
sigma value = 33


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

Energy: 0.011468283704625847
Energy: 0.5108793204443922
Energy: 0.011841578865769658
Energy: 0.012969917337043207
Energy: 0.5085630785382701
Energy: 0.011776375109759712
Energy: 0.3464967599357535
Energy: 0.06376554406870014
Energy: 0.06290781974780636
Energy: 0.062383694252520785
Energy: 0.06309157110391986
Energy: 0.06270092758518454
Energy: 0.7963461508661366
Energy: 0.509990641675944
Energy: 0.5078094385330878
Energy: 0.5080088731732285
Energy: 0.5081378859283479
Energy: 0.5083159361799883
Energy: 0.011934206327810427
Energy: 0.06376554406834678
Energy: 0.06290781974780636
Energy: 0.06238369425216743
Energy: 0.06309157110287943
Energy: 0.06270092758485082

minimum gb energy = 0.011468283704625847 eV
minimum distance =  2.82775261334834 Angstroms
sigma value = 1