Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.246784762095345
mass=55.845
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=[1.90808021872962e-19, 2.7468517301612997e-19, 3.36628526039838e-19, 3.8688079616524797e-19, 4.28971578517062e-19, 4.64897185181244e-19, 4.95928142228556e-19, 5.2293443157126e-19, 5.46548912979786e-19, 5.67249035091066e-19, 5.854032985309199e-19, 6.01308105976638e-19, 6.155931128453819e-19, 6.2873416559745e-19, 6.4002149998398e-19, 6.494871595376519e-19, 6.573602555171279e-19, 6.638618882979e-19, 6.69152275543368e-19, 6.733371609113759e-19, 6.76488642350454e-19, 6.786708069259619e-19, 6.79942935173358e-19, 6.8035629674493e-19, 6.79914095993946e-19, 6.784849544364179e-19, 6.7590224570241e-19, 6.719640955360379e-19, 6.6643338179547e-19, 6.590265192164879e-19, 6.494038463526839e-19, 6.37156808162388e-19, 6.2178872988906e-19, 6.0269879529495e-19, 5.791500031284179e-19, 5.5022751053145e-19, 5.148017829770759e-19, 4.71454894144206e-19, 4.1838759967285797e-19, 3.5329917391660796e-19, 2.73217579219386e-19, 1.74251128537206e-19, 5.1228796783833e-20, -1.0282801680544679e-19, -2.9750817916745996e-19, -5.464095236126279e-19, -8.70488200078344e-19, -1.3048495007921819e-18, -1.9129027703979595e-18, -2.8195905493449e-18, -4.2964769705660996e-18, -7.00445989558656e-18, -1.27711902761091e-17, -2.7399783924014397e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01647673139747075
Energy: 0.017115682456988905
Energy: 0.01725883769248577
Energy: 0.016706310874257974
Energy: 0.6823370760983131
Energy: 0.016904198195631607
Energy: 0.01711568245667344
Energy: 0.10975029206113775
Energy: 0.1097613838487209
Energy: 0.10985002795787784
Energy: 0.109791374241976
Energy: 0.1111235769693329
Energy: 0.017258837693397113
Energy: 0.10976138385026317
Energy: 0.11088571095162811
Energy: 0.017257734278257327
Energy: 0.1101196962205866
Energy: 0.11044395422580858
Energy: 0.016706310875169317
Energy: 0.1098500279572469
Energy: 0.01725773427794186
Energy: 0.016711925549327693
Energy: 0.10990566564943167
Energy: 0.016953701941569345
Energy: 0.68233707609954
Energy: 0.10979137424260696
Energy: 0.11011969622086702
Energy: 0.10990566564943167
Energy: 0.10994124661378528
Energy: 0.11034732472417916
Energy: 0.016904198195631607
Energy: 0.11112357696901744
Energy: 0.11044395422580858
Energy: 0.016953701940342538
Energy: 0.11034732472449461
Energy: 0.01704889742166986

minimum gb energy = 0.01647673139747075 eV
minimum distance =  2.54468590946338 Angstroms
sigma value = 1


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

Energy: 1.6318043200780166
Energy: 0.5681457536977104
Energy: 0.5174019675876602
Energy: 0.7447921994005112
Energy: 0.5112759346117024
Energy: 0.5148624334351974
Energy: 1.4320507792263673
Energy: 0.6200731757813291
Energy: 0.6201795901574774
Energy: 0.6188334762116879
Energy: 0.5295021516778581
Energy: 0.620799184752626
Energy: 1.3974051258069808
Energy: 0.6075556978899812
Energy: 0.6210786709651619
Energy: 0.7036100788346703
Energy: 0.5281886896718712
Energy: 0.6217168994469181
Energy: 1.5341645660960475
Energy: 0.6269490202693393
Energy: 0.6893986618480308
Energy: 0.6058653054214557
Energy: 0.6268447536651593
Energy: 0.6919809838790667
Energy: 0.5623892316922202
Energy: 0.6200207050793648
Energy: 0.6197473279995234
Energy: 0.6187562623553237
Energy: 0.6217862958439332
Energy: 0.6200974908712761
Energy: 1.316728339018347
Energy: 0.7034849404944621
Energy: 0.7030824397632849
Energy: 0.7000224911973427
Energy: 0.6221752480846301
Energy: 0.7017042325037641
Energy: 1.3506836612565907
Energy: 0.7027994826391056
Energy: 0.7027077377498648
Energy: 0.7010643415510514
Energy: 0.7042509475762312
Energy: 0.7023713110006756
Energy: 1.311394393782634
Energy: 0.7054138748729136
Energy: 0.7043583160381028
Energy: 0.6931225468808493
Energy: 0.7062034405782105
Energy: 0.7090940829254372
Energy: 1.0392367511621636
Energy: 0.7039711920064705
Energy: 0.7054794748625423
Energy: 0.6211517861021166
Energy: 0.7023337125103322
Energy: 0.7050005524840498
Energy: 1.0361353334231913
Energy: 0.6211729602929281
Energy: 0.6203211989856547
Energy: 0.6223194525340365
Energy: 0.6189716838560378
Energy: 0.62018561584804
Energy: 1.1018321778829898
Energy: 0.6695539012595959
Energy: 0.6727585942571171
Energy: 0.6479588791450756
Energy: -0.30945290473198594
Energy: 0.7003620528105894
Energy: 0.8359629278392146
Energy: 0.6218446581869461
Energy: 0.6211784357954693
Energy: 0.5285212268940034
Energy: 0.7035255170794622
Energy: 0.621297381438179
Energy: 0.8351940927146511
Energy: 0.6196413000035222
Energy: 0.6189030104873432
Energy: 0.5303261541095325
Energy: 0.6174579164854342
Energy: 0.6221969792886243
Energy: 0.9208057761520653
Energy: 0.6031578786793942
Energy: 0.6073265490051852
Energy: 0.6208957585516395
Energy: 0.6717878440676512
Energy: 0.6591611619600527
Energy: 0.8942849933000987
Energy: 0.6185920618929339
Energy: 0.6211567123934543
Energy: 0.5282831995121013
Energy: 0.6189521373643652
Energy: 0.6205804875147666
Energy: 0.8948735758915922
Energy: 0.7083855178996162
Energy: 0.7063683696470686
Energy: 0.5298389292499182
Energy: 0.7069553667269112
Energy: 0.703228232206426
Energy: 1.1383134404307689
Energy: 0.686640157702193
Energy: 0.7086902216192641
Energy: 0.6691398639171403
Energy: 0.6888489699813491
Energy: 0.6859899394222609
Energy: 1.211399878007499
Energy: 0.7044414728837607
Energy: 0.7043948551885579
Energy: 0.7069654965979514
Energy: 0.7034348574154389
Energy: 0.7041797225171567
Energy: 1.182779364797718
Energy: 0.704544959515279
Energy: 0.7032557561572513
Energy: 0.7032151968164352
Energy: 0.7051032211983288
Energy: 0.7045294334106427
Energy: -0.1275366657284359
Energy: 0.7042516563848443
Energy: 0.7050317301005179
Energy: 0.7031510535864031
Energy: 0.7036052526165658
Energy: 0.7045214212533306
Energy: 0.4706003534809049
Energy: 0.6697866775029135
Energy: 0.6726573978716004
Energy: 0.6730988072474002
Energy: 0.6693097436754168
Energy: 0.6755802720229004
Energy: 1.3174506015283716
Energy: 0.6837021375752522
Energy: 0.7024027803929951
Energy: 0.6996019077982429
Energy: 0.5274109897922
Energy: 0.7026110083564623
Energy: 1.4329100452041632
Energy: 0.6202106837367484
Energy: 0.6208172690168
Energy: 0.5281931161950068
Energy: 0.5279830029226019
Energy: 0.620401192986358

minimum gb energy = -0.30945290473198594 eV
minimum distance =  2.35949810939597 Angstroms
sigma value = 33


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

Energy: 1.805999816148154
Energy: 0.8167444101345073
Energy: 0.8159584665409183
Energy: 0.7743540033586688
Energy: 0.8199617660479666
Energy: 0.7742953108075282
Energy: 1.4518933599065973
Energy: 0.8137012256581118
Energy: 0.7607735105316995
Energy: 0.7614786727892989
Energy: 0.8463922567239733
Energy: 0.7600803338598217
Energy: 1.3476856939315012
Energy: 0.7614847494332956
Energy: 0.7616262905201336
Energy: 0.7596512308488191
Energy: 0.8394901209715517
Energy: 0.7614105440467612
Energy: 1.4006841229071845
Energy: 0.7799362626594507
Energy: 0.7797732560407502
Energy: 0.7560581413412387
Energy: 0.7809250646065018
Energy: 0.7717108525870771
Energy: 1.3381098519018573
Energy: 0.7622023135440935
Energy: 0.7605457773271842
Energy: 0.7613274943979457
Energy: 0.8159746687482906
Energy: 0.7593310391588605
Energy: 1.3973852005118468
Energy: 0.7693756169656332
Energy: 0.7674265455694222
Energy: 0.7654129540323733
Energy: 0.8145970249700493
Energy: 0.7671546159648011
Energy: 1.397178771437192
Energy: 0.7695484595691781
Energy: 0.7682291534020693
Energy: 0.7655694046174498
Energy: 0.7684485403152365
Energy: 0.7676578780795855
Energy: 1.188178534975401
Energy: 0.7565621216107097
Energy: 0.7579037456325384
Energy: 0.7663245655239063
Energy: 0.7568326869178377
Energy: 0.7564325509234803
Energy: 1.0095746801371919
Energy: 0.7570439455183626
Energy: 0.7643978691985627
Energy: 0.814269816320858
Energy: 0.75852243532479
Energy: 0.7649339084201514
Energy: 1.0089833663631542
Energy: 0.760675309019112
Energy: 0.7594873870353784
Energy: 0.8148492246838569
Energy: 0.7607409189486019
Energy: 0.7599377650816063
Energy: 0.9022981487040738
Energy: 0.7820238039135528
Energy: 0.7683384464431967
Energy: 0.7778594701096069
Energy: 0.7564043775304381
Energy: 0.7694709687336275
Energy: 0.8412102068828903
Energy: 0.7565475522436319
Energy: 0.7610018248525996
Energy: 0.8451601354971747
Energy: 0.7566604610330242
Energy: 0.7608012416316021
Energy: 0.8414717335984078
Energy: 0.7620726452721345
Energy: 0.7617530235345971
Energy: 0.8418573438889028
Energy: 0.7615223248500413
Energy: 0.7611202538396161
Energy: 1.0629627410172973
Energy: 0.755864085601765
Energy: 0.7571134053843593
Energy: 0.8204870907890229
Energy: 0.7556582181357137
Energy: 0.7716077385249305
Energy: 1.009854009866934
Energy: 0.7602749519902298
Energy: 0.7594301519610777
Energy: 0.8148377971177302
Energy: 0.7612591575961764
Energy: 0.7601502549867957
Energy: 1.0099544787494585
Energy: 0.7654551043677258
Energy: 0.7655917436257363
Energy: 0.8147107769671841
Energy: 0.76586371382782
Energy: 0.765854235689357
Energy: 1.2536270124721438
Energy: 0.7668118871368506
Energy: 0.7674105545320334
Energy: 0.7781349661366047
Energy: 0.765985747488232
Energy: 0.7691994648869008
Energy: 1.1815128806686483
Energy: 0.7683881542656567
Energy: 0.7689117231571065
Energy: 0.7567626305362876
Energy: 0.767476416335026
Energy: 0.7558566295334536
Energy: 1.1856212594762594
Energy: 0.7674813877166755
Energy: 0.7664312718031308
Energy: 0.7570490669030057
Energy: 0.8144228532525886
Energy: 0.7659497766116489
Energy: 0.6164838857727426
Energy: 0.8155904422397464
Energy: 0.7605764119860379
Energy: 0.7617290689022865
Energy: 0.8153245768323066
Energy: 0.7591647024502499
Energy: 1.6104139070184136
Energy: 0.7693679322650284
Energy: 0.7571545089977499
Energy: 0.7689249884916289
Energy: 0.777631227187177
Energy: 0.7569832309818845
Energy: 1.453064438494667
Energy: 0.7609382309583491
Energy: 0.761466513615485
Energy: 0.7564650587083329
Energy: 0.8460472360063043
Energy: 0.7615452184996926
Energy: 1.3371777978354875
Energy: 0.775399804544148
Energy: 0.7609903417036242
Energy: 0.7613926933292275
Energy: 0.8414896096257891
Energy: 0.7605254436920684
Energy: 1.3998599403046124
Energy: 0.8222457898855716
Energy: 0.7803432732993832
Energy: 0.7555629606426594
Energy: 0.8368807032449447
Energy: 0.7678091918181035
Energy: 1.3356641303902936
Energy: 0.7617852225376431
Energy: 0.761222353508129
Energy: 0.7608821842638115
Energy: 0.8149985142432589
Energy: 0.7599618630155397
Energy: 1.3979538608906035
Energy: 0.766540258093866
Energy: 0.7647477172458894
Energy: 0.7660021459904599
Energy: 0.8134795329737577
Energy: 0.7640453416623283
Energy: 1.3984355434739393
Energy: 0.7678187537434246
Energy: 0.7676755891759546
Energy: 0.7690127644104702
Energy: 0.766578401438922
Energy: 0.76772310331889
Energy: 1.1936271478029572
Energy: 0.7567453088234226
Energy: 0.7572048423038059
Energy: 0.7676109648410557
Energy: 0.7566771935310583
Energy: 0.7672109037413137
Energy: 1.0103906071081568
Energy: 0.756321053203585
Energy: 0.7568067530908414
Energy: 0.8134534725030498
Energy: 0.7561862587853807
Energy: 0.7675936508660987
Energy: 1.0104824968167958
Energy: 0.7597079105066883
Energy: 0.7589470775155251
Energy: 0.8145892330221172
Energy: 0.7608262181338654
Energy: 0.7595345504883145
Energy: 1.1478863911434305
Energy: 0.7568293808533529
Energy: 0.7567582568115293
Energy: 0.7770188140121452
Energy: 0.7571355890380822
Energy: 0.7567593120754832
Energy: 0.8391167783546581
Energy: 0.7563690050295846
Energy: 0.756422592153728
Energy: 0.8452648999990023
Energy: 0.7563250472967664
Energy: 0.7613912407240913
Energy: 0.84347434677399
Energy: 0.7607690851839272
Energy: 0.7598586199476886
Energy: 0.8415301467224736
Energy: 0.7609237967893437
Energy: 0.7605005094067053
Energy: 0.8399363477712307
Energy: 0.7559197022523144
Energy: 0.7562426751957512
Energy: 0.8434786103061352
Energy: 0.7553583162866254
Energy: 0.7565859047940088
Energy: 1.0028694540279457
Energy: 0.7620075839397518
Energy: 0.7610634159882294
Energy: 0.8135907269673923
Energy: 0.7609567991758913
Energy: 0.760872381944962
Energy: 1.0089394584435127
Energy: 0.7650799693228107
Energy: 0.7637287719272562
Energy: 0.8137527584955649
Energy: 0.7659347802692807
Energy: 0.7632149140231167
Energy: 1.2527634039814843
Energy: 0.777664989162352
Energy: 0.7683120392143665
Energy: 0.8029358683366612
Energy: 0.7787261879177109
Energy: 0.7677801361403054
Energy: 1.1802023444809662
Energy: 0.7676550123118904
Energy: 0.7659962953761037
Energy: 0.7583761483618235
Energy: 0.769243330246852
Energy: 0.7651527690437987
Energy: 1.1808555246264807
Energy: 0.7685257384352748
Energy: 0.7688680774635434
Energy: 0.756875272104957
Energy: 0.8158750464293567
Energy: 0.755678250771144
Energy: 0.7349940438219799
Energy: 0.8138788934732013
Energy: 0.7598723003655111
Energy: 0.7615117993435768
Energy: 0.8141512062776363
Energy: 0.7589026147266202
Energy: 1.616901126931986
Energy: 0.760403533366128
Energy: 0.7569917867572228
Energy: 0.7568524514236211
Energy: 0.7604590557925474
Energy: 0.7566206995780681

minimum gb energy = 0.6164838857727426 eV
minimum distance =  2.36229391832165 Angstroms
sigma value = 51


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

Energy: 1.6784856708749882
Energy: 0.6066182482423914
Energy: 0.6056348617390858
Energy: 0.7189538509659086
Energy: 0.6293430851777553
Energy: 0.7167791237717541
Energy: 1.3583061572324044
Energy: 0.631076638670505
Energy: 0.6425030736200398
Energy: 0.6381602037070083
Energy: 0.6339524952237764
Energy: 0.7206167274251936
Energy: 1.4179937920352705
Energy: 0.6305712083299104
Energy: 0.6428869996895602
Energy: 0.7201641115465125
Energy: 0.6286515553270082
Energy: 0.7194791097281681
Energy: 1.4178974591599356
Energy: 0.701339132301201
Energy: 0.6992213942792821
Energy: 0.7123373279496268
Energy: 0.405135617317198
Energy: 0.7089072405583822
Energy: 1.2180515776664176
Energy: 0.7204843147624073
Energy: 0.7298283947734728
Energy: 0.6534403261677543
Energy: 0.7202187207722158
Energy: 0.6318600623448299
Energy: 1.1677760358078835
Energy: 0.6380401041715421
Energy: 0.6385251639744889
Energy: 0.638113186034623
Energy: 0.6385615651953798
Energy: 0.6365697601190455
Energy: 1.1677868663479578
Energy: 0.6532589789342901
Energy: 0.6309435384706349
Energy: 0.6384874609184732
Energy: 0.6571176516427566
Energy: 0.6630390490308282
Energy: 1.2653638202567004
Energy: 0.6085329290471398
Energy: 0.6080463956628797
Energy: 0.6314938726801587
Energy: 0.7748364395968612
Energy: 0.7092927657129602
Energy: 0.8766871957462155
Energy: 0.7122425248424681
Energy: 0.7950095069892764
Energy: 0.6285830917413274
Energy: 0.6127139571111235
Energy: 0.7192767405223055
Energy: 0.8763263790161957
Energy: 0.7370184194961836
Energy: 0.7326462567590191
Energy: 0.6288708542020001
Energy: 0.6358759557330202
Energy: 0.7306406975453383
Energy: 0.9010974757607868
Energy: 0.6764254927468257
Energy: 0.6770616962924355
Energy: 0.6278001033784456
Energy: 0.6814679789321512
Energy: 0.7189971368979601
Energy: 0.958907846670605
Energy: 0.6406602154676709
Energy: 0.7046230853456468
Energy: 0.6325004532287635
Energy: 0.710066360208317
Energy: 0.7205213167620697
Energy: 0.9601348219032344
Energy: 0.8033235271153623
Energy: 0.8033548396943739
Energy: 0.6310700798063184
Energy: 0.8031993899468822
Energy: 0.803356199726843
Energy: 0.7779004384544376
Energy: 0.6808496233867511
Energy: 0.6827843717875275
Energy: 0.7029115599209986
Energy: 0.6830336274273574
Energy: 0.6860881482808608
Energy: 1.2783271661713926
Energy: 0.7239791507422626
Energy: 0.8037102936959045
Energy: 0.6968707512557746
Energy: 0.6373428630382652
Energy: 0.8034153778663122
Energy: 1.2797981338027984
Energy: 0.6414403754413751
Energy: 0.6369612056621307
Energy: 0.6580646251063753
Energy: 0.6362985071037924
Energy: 0.6241278475903331
Energy: 1.4035761838024676
Energy: 0.6291824144575908
Energy: 0.6381027874669096
Energy: 0.6507733622643539
Energy: 0.6297675710624284
Energy: 0.731697741067305
Energy: 1.5550753406562488
Energy: 0.6422694877164076
Energy: 0.6286446892277584
Energy: 0.7758839061724604
Energy: 0.6409513919654352
Energy: 0.6276028758171786

minimum gb energy = 0.405135617317198 eV
minimum distance =  2.3773194567592 Angstroms
sigma value = 19


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

Energy: 1.408338916562509
Energy: 0.8631006893044249
Energy: 0.8629067869300362
Energy: 0.8439443243635578
Energy: 0.8292207724952461
Energy: 0.8381451318513553
Energy: 0.7696410394092587
Energy: 0.8298080460487954
Energy: 0.8293204634507121
Energy: 0.8602463335346715
Energy: 0.8299669985877063
Energy: 0.8656843169904499
Energy: 0.7943442425362309
Energy: 0.8297424004032046
Energy: 0.8296019478299964
Energy: 0.8970757355526401
Energy: 0.830037647008154
Energy: 0.8302370551526428
Energy: 1.0944238620731745
Energy: 0.9392558317335016
Energy: 0.9376061847525937
Energy: 0.8444948411111226
Energy: 0.9398623413310345
Energy: 0.9370726153931834
Energy: 0.794976800587124
Energy: 0.8666450525822411
Energy: 0.8664940923867803
Energy: 0.8591948268211909
Energy: 0.866730837073756
Energy: 0.877292337052008
Energy: 1.0901213823649938
Energy: 0.8156464534094454
Energy: 0.8613114749646613
Energy: 0.8573680978856013
Energy: 0.8153347165780617
Energy: 0.8667065026150279
Energy: 1.090174676152102
Energy: 0.8595529646433722
Energy: 0.8587613842965414
Energy: 0.866659148055202
Energy: 0.8167910286791957
Energy: 0.8664741122203181
Energy: 0.9389177422528879
Energy: 0.8751419130194034
Energy: 0.8655553515815064
Energy: 0.8299363626777166
Energy: 0.8172586269227062
Energy: 0.8163422676030692
Energy: 0.8299593624770522
Energy: 0.8643346725989595
Energy: 0.8643042549351015
Energy: 0.8300345528803141
Energy: 0.864492157497962
Energy: 0.8521925923436331
Energy: 0.831920565288348
Energy: 0.8785444128328765
Energy: 0.8785306590524817
Energy: 0.832247707016569
Energy: 0.8169398744034786
Energy: 0.8291549049419286
Energy: 0.8318401453808623
Energy: 0.8458865409547478
Energy: 0.8429952688451103
Energy: 0.8313996817745852
Energy: 0.8462212231466115
Energy: 0.8288195183048986
Energy: 1.1391421933394401
Energy: 0.8817580888665864
Energy: 0.8784632279131942
Energy: 0.8293801558776216
Energy: 0.8589282481516661
Energy: 0.8658735986760118
Energy: 0.8175042140547196
Energy: 0.8659703638251931
Energy: 0.8661543078693369
Energy: 0.8187401345789517
Energy: 0.8663406222609971
Energy: 0.8618502687966206
Energy: 1.1387289309098034
Energy: 0.8584209807876447
Energy: 0.8666846765871605
Energy: 0.8171873482395169
Energy: 0.855673738025667
Energy: 0.8625722177422307
Energy: 1.3588499829959182
Energy: 0.8297775861739922
Energy: 0.865725889610412
Energy: 0.8646216081665065
Energy: 0.8292683902961547
Energy: 0.864701832409293
Energy: 1.3611028496602355
Energy: 0.8300619324833581
Energy: 0.8163634566238943
Energy: 0.8166192411799363
Energy: 0.8301577778077882
Energy: 0.864603719229385
Energy: 0.843370816875463
Energy: 0.8299531676380784
Energy: 0.8293519044174744
Energy: 0.8596875107171328
Energy: 0.8316568784565227
Energy: 0.8660918337462872
Energy: 1.0958182422477303
Energy: 0.8298074641908774
Energy: 0.8295098254948221
Energy: 0.8446387329722985
Energy: 0.8298549478043559
Energy: 0.8303610698893861
Energy: 1.0967434026452667
Energy: 0.8297031356767933
Energy: 0.8301157637938648
Energy: 0.8453616818875848
Energy: 0.829892258360098
Energy: 0.8670260301109092
Energy: 1.0899847891668157
Energy: 0.8154642729670308
Energy: 0.8620825637668192
Energy: 0.8591864023639251
Energy: 0.8153080817228502
Energy: 0.8590647653222272
Energy: 1.0899045861911556
Energy: 0.8668075759970251
Energy: 0.8658807047989472
Energy: 0.8589580687682237
Energy: 0.866961091580002
Energy: 0.8660779075852046
Energy: 1.0891714911453094
Energy: 0.8785132703971849
Energy: 0.866109595857808
Energy: 0.8661720647575242
Energy: 0.8592367505390381
Energy: 0.8662348247102123
Energy: 1.02553447885956
Energy: 0.8171123017789171
Energy: 0.815838941275626
Energy: 0.9343951296000881
Energy: 0.8168279367342762
Energy: 0.8455350978191846
Energy: 0.8300342841310945
Energy: 0.8784517766279794
Energy: 0.8657847425657217
Energy: 0.8298974856896684
Energy: 0.8640797109390547
Energy: 0.8293594060482046
Energy: 0.8299074687350662
Energy: 0.8783119604447166
Energy: 0.8665287954332459
Energy: 0.8299632294399465
Energy: 0.8784186473584076
Energy: 0.8295098917373371
Energy: 0.8175263001149273
Energy: 0.8450268946694831
Energy: 0.8427827158845147
Energy: 0.8310387720597413
Energy: 0.8448529914110212
Energy: 0.8304213613833674
Energy: 1.1383177064816676
Energy: 0.8594010941204097
Energy: 0.8785060483688103
Energy: 0.8294799227722823
Energy: 0.8595494823796314
Energy: 0.8662776550001741
Energy: 0.8153791863255151
Energy: 0.8662643786572778
Energy: 0.8664673945667373
Energy: 0.8154025935092937
Energy: 0.8667696079337499
Energy: 0.8612324214339773
Energy: 0.8015355135395335
Energy: 0.8664909500367097
Energy: 0.8663637947828119
Energy: 0.8171505719893648
Energy: 0.8662655349163859
Energy: 0.8635437114034008
Energy: 1.3596469040405375
Energy: 0.8300384070201382
Energy: 0.8161046323302449
Energy: 0.8182836199340867
Energy: 0.829794785962155
Energy: 0.8642348196008935

minimum gb energy = 0.7696410394092587 eV
minimum distance =  2.33921623502812 Angstroms
sigma value = 27


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

Energy: 1.150420904760659
Energy: 0.6461847589771227
Energy: 0.968420287080417
Energy: 0.6390942729543073
Energy: 0.6660500588155891
Energy: 0.9299321076984258
Energy: 0.7291565737294692
Energy: 0.6665127355182113
Energy: 0.6650270192000565
Energy: 0.6677992362265843
Energy: 0.6659477907504153
Energy: 0.6638081793381002
Energy: 1.3846161422459646
Energy: 0.6656253652447189
Energy: 0.6688670421765598
Energy: 0.6658860199608193
Energy: 0.6658981969598614
Energy: 0.6676773715266459
Energy: 1.2161804082663505
Energy: 0.7978849437400511
Energy: 0.7964886958972551
Energy: 0.6651424401957168
Energy: 0.7965467226182847
Energy: 0.6674763200110696
Energy: 1.0294793039325458
Energy: 0.6386275067593014
Energy: 0.668189399793429
Energy: 0.6667892360465163
Energy: 0.6331369030541405
Energy: 0.6706139847587111
Energy: 0.8885946626737267
Energy: 0.6548448631744673
Energy: 0.6384071332656279
Energy: 0.8191862876370529
Energy: 0.6551723157788151
Energy: 0.6438112745146111
Energy: 0.8195455955853972
Energy: 0.6685421674326626
Energy: 0.6677378913908848
Energy: 0.7482766827259366
Energy: 0.6661358629805472
Energy: 0.6674204963949906
Energy: 1.0026560184799256
Energy: 0.6590842732707979
Energy: 0.6704483771361115
Energy: 0.9477625246381438
Energy: 0.6613903308476531
Energy: 0.6673907909821929
Energy: 0.9565825091425628
Energy: 0.6687228013372053
Energy: 0.6695239150760355
Energy: 0.6655935370071145
Energy: 0.6673195342177304
Energy: 0.6636128937553953
Energy: 0.7837577125974272
Energy: 0.668520043892981
Energy: 0.667802546437553
Energy: 0.6659805505217238
Energy: 0.666221874864715
Energy: 0.6672198939238899
Energy: 0.956761741413385
Energy: 0.6707850193010655
Energy: 0.6682947209949338
Energy: 0.6669414556323255
Energy: 0.6779058460342794
Energy: 0.6698150188977663
Energy: 0.7292556239095725
Energy: 0.665771092724263
Energy: 0.6638383427177174
Energy: 0.6686830096111743
Energy: 0.6658339481077538
Energy: 0.6638137414818178

minimum gb energy = 0.6331369030541405 eV
minimum distance =  2.41964452136896 Angstroms
sigma value = 9


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

Energy: 2.020065036612902
Energy: 0.9054439908629014
Energy: 0.549684542979743
Energy: 0.5215233357890602
Energy: 0.5587452876079252
Energy: 0.624248792064199
Energy: 0.9565577940666653
Energy: 0.5339966871237385
Energy: 0.5804468933272754
Energy: 0.5783659375023857
Energy: 0.5711705690712331
Energy: 0.5807136261078725
Energy: 1.0817669385170727
Energy: 0.560963057752666
Energy: 0.5628136513142153
Energy: 0.5825677092975278
Energy: 0.5688068076527828
Energy: 0.5652116108303564
Energy: 1.0792378022481786
Energy: 0.6382914449988116
Energy: 0.6392583512213545
Energy: 0.538026818942789
Energy: 0.6354145464755205
Energy: 0.6410420555845125
Energy: 0.6521104746091704
Energy: 0.5407651472285363
Energy: 0.5411776451663983
Energy: 0.5877564561501931
Energy: 0.5512268082743614
Energy: 0.5789536904150834
Energy: 0.686641766715998
Energy: 0.5501985658642639
Energy: 0.5486937272813304
Energy: 0.5588161872358934
Energy: 0.5382115364446488
Energy: 0.5478651349321366
Energy: 0.6889972408896016
Energy: 0.5768523024411379
Energy: 0.5715855430305911
Energy: 0.5321397362265656
Energy: 0.5517467773415939
Energy: 0.5765440924078832
Energy: 0.7385166398330502
Energy: 0.5477385288387917
Energy: 0.5176619359287394
Energy: 0.6421712288719003
Energy: 0.5368564963633856
Energy: 0.6317586687681916
Energy: 0.9636630424529761
Energy: 0.5518990172903743
Energy: 0.5507587477568588
Energy: 0.5581808525101816
Energy: 0.5754673415278709
Energy: 0.561789544754623
Energy: 1.247303944973905
Energy: 0.6382282684703072
Energy: 0.6380790654455274
Energy: 0.4804774505586039
Energy: 0.6358593224650129
Energy: 0.706241266043238
Energy: 1.2453988166989498
Energy: 0.5541813856571319
Energy: 0.5571630110464489
Energy: 0.5832310791932184
Energy: 0.560834838544721
Energy: 0.5594100952537796
Energy: 0.9586145370734496
Energy: 0.5511163458344825
Energy: 0.5841984423858877
Energy: 0.5374724107495881
Energy: 0.5325925705262227
Energy: 0.580076283831865
Energy: 1.0601784123847966
Energy: 0.36509104332616615
Energy: 0.6700836231446925
Energy: 0.7412486039652586
Energy: 0.5403723348143056
Energy: 0.6737396062570674
Energy: 0.958590701228315
Energy: 0.5728318064854626
Energy: 0.5808595728545957
Energy: 0.570638771197785
Energy: 0.5861237932808975
Energy: 0.5809776947908667
Energy: 0.6985825542965463
Energy: 0.5412342704862825
Energy: 0.5492884149649269
Energy: 0.5603021129688338
Energy: 0.5413505115133277
Energy: 0.6381351973888847
Energy: 0.6991878159640166
Energy: 0.5800397613284548
Energy: 0.5794775905555428
Energy: 0.5666556787683517
Energy: 0.5820415404785244
Energy: 0.5627329770591986
Energy: 0.6948293615399344
Energy: 0.5636909814906041
Energy: 0.5530429255074839
Energy: 0.5563184558325096
Energy: 0.5588754069599621
Energy: 0.5751716423141562
Energy: 0.7219162688075484
Energy: 0.5407256873201046
Energy: 0.5378802093142795
Energy: 0.5819969365140112
Energy: 0.5011628921643794
Energy: 0.516362883706167
Energy: 0.8363130058756308
Energy: 0.5877299554066435
Energy: 0.6111023567441038
Energy: 0.5558602958075324
Energy: 0.5878222920709677
Energy: 0.5759093596796206
Energy: 0.8044729091818139
Energy: 0.5630020699409118
Energy: 0.5628603848243736
Energy: 0.5707024099301262
Energy: 0.5667106096517843
Energy: 0.5733132837899964
Energy: 0.963721437828093
Energy: 0.5798459434130038
Energy: 0.5759154112366621
Energy: 0.6020763458679358
Energy: 0.5755144029530984
Energy: 0.5743216725663568
Energy: 0.8559666992356442
Energy: 0.5610782084553345
Energy: 0.5462031725620984
Energy: 0.5426680226874224
Energy: 0.5641216610604491
Energy: 0.524632263356846
Energy: 0.5400138383400052
Energy: 0.5330750017424551
Energy: 0.5759605054286806
Energy: 0.5556422203417078
Energy: 0.5327729473374925
Energy: 0.5795589705337305
Energy: 0.9679680705174994
Energy: 0.5607334215689679
Energy: 0.5576628796392142
Energy: 0.576447602170783
Energy: 0.5629832983330202
Energy: 0.5795070422506556
Energy: 1.0814881402428809
Energy: 0.5407891676774751
Energy: 0.549722806788412
Energy: 0.6313004939248296
Energy: 0.5600216389129408
Energy: 0.6349937995165181
Energy: 0.9677246688718709
Energy: 0.5655653648120963
Energy: 0.562983060473709
Energy: 0.5849183155150783
Energy: 0.5706261995308268
Energy: 0.5808069845296628
Energy: 0.8969927669713063
Energy: 0.5251889968933714
Energy: 0.5268360553555802
Energy: 0.7534364360591531
Energy: 0.6115518482450557
Energy: 0.47842011296970965
Energy: 0.6877611956811742
Energy: 0.5621976964216153
Energy: 0.5625017626350202
Energy: 0.5132789024414766
Energy: 0.560854488255179
Energy: 0.5803530088972313
Energy: 0.6873542782139321
Energy: 0.5526740855533027
Energy: 0.55117343525425
Energy: 0.5662033386733697
Energy: 0.5620050692929935
Energy: 0.5581011096390888
Energy: 0.7151692439883212
Energy: 0.5478276226876235
Energy: 0.5550073969146901
Energy: 0.6378801917258181
Energy: 0.5353450726906952
Energy: 0.5510682070630778
Energy: 1.245575813559977
Energy: 0.5611666800185121
Energy: 0.5572819836088633
Energy: 0.5826144509538996
Energy: 0.5607345714947706
Energy: 0.5638421681243287
Energy: 1.2490982303454339
Energy: 0.7611776586927305
Energy: 0.7620394435012727
Energy: 0.5259446552834312
Energy: 0.6917718238217727
Energy: 0.7054672960504836
Energy: 0.9630295517718722
Energy: 0.49691086187022293
Energy: 0.5765087227677379
Energy: 0.5516794757622377
Energy: 0.5312892759249712
Energy: 0.5744191282093217
Energy: 1.0553762391676589
Energy: 0.5844574583984911
Energy: 0.5640765495054686
Energy: 0.5184700834200667
Energy: 0.6924720510845594
Energy: 0.5384875030816284
Energy: 1.1129644695761576
Energy: 0.5740616748213656
Energy: 0.5809836821894194
Energy: 0.5693184189534906
Energy: 0.5795150694290235
Energy: 0.5811531627042364
Energy: 0.7477871437638354
Energy: 0.5714514591254323
Energy: 0.5605097770374379
Energy: 0.6325514764132332
Energy: 0.5373700139231568
Energy: 0.6366122089784751
Energy: 0.6985660068528404
Energy: 0.5596096024474844
Energy: 0.5579699212553396
Energy: 0.5662823773656805
Energy: 0.5840621220832944
Energy: 0.5638680293340299
Energy: 0.6953322969682436
Energy: 0.5700555401091473
Energy: 0.5786497925633826
Energy: 0.5577869761211918
Energy: 0.5699613510035179
Energy: 0.5803451859630097
Energy: 0.7138684450616848
Energy: 0.6381779596174804
Energy: 0.6381918675458509
Energy: 0.5661992192552415
Energy: 0.6376306392373817
Energy: 0.5444734193436399
Energy: 0.8339270120767137
Energy: 0.5706453615073243
Energy: 0.574387835752481
Energy: 0.556811659882934
Energy: 0.5707069474730341
Energy: 0.5820528476592433
Energy: 0.8033457179031583
Energy: 0.5786041658629423
Energy: 0.5839771456352025
Energy: 0.5696924630891739
Energy: 0.5470150711645204
Energy: 0.5819601242224468
Energy: 0.8345749464877781
Energy: 0.5741449793011313
Energy: 0.573724037336682
Energy: 0.5771994057719391
Energy: 0.563335279696973
Energy: 0.5802049026405781
Energy: 0.9724567227762478
Energy: 0.5806904811034916
Energy: 0.5665207257895871
Energy: 0.5559992080248138
Energy: 0.5551484656515122
Energy: 0.5801002154536188

minimum gb energy = 0.36509104332616615 eV
minimum distance =  2.37697840907656 Angstroms
sigma value = 57


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

Energy: 0.9702788378211051
Energy: 0.7496918501327197
Energy: 0.31105966252510536
Energy: 0.31054398577466175
Energy: 0.473769940568692
Energy: 0.77378321697286
Energy: 0.8048806570830838
Energy: 0.4700357392480939
Energy: 0.4721320250224301
Energy: 0.4711717344290427
Energy: 0.47724724271976837
Energy: 0.4330745433540478
Energy: 0.6543388088077481
Energy: 0.6693883295593874
Energy: 0.4846808307223597
Energy: 0.4803992694228152
Energy: 0.47992869942293015
Energy: 0.6400014491389594
Energy: 0.43940815013434137
Energy: 0.48146025377471846
Energy: 0.46135195718338484
Energy: 0.47944082183457937
Energy: 0.7235635327589772
Energy: 0.6787334961089981
Energy: 0.7104524763865062
Energy: 0.4631675580720172
Energy: 0.4626681044717279
Energy: 0.4705226340588177
Energy: 0.4633482928786831
Energy: 0.6712725724033644
Energy: 0.686997518050034
Energy: 0.4665510120532978
Energy: 0.46692780353191354
Energy: 0.4667480297439665
Energy: 0.4665473178065923
Energy: 0.46642496426930463
Energy: 0.5128726505513991
Energy: 0.6696221942314673
Energy: 0.670661866437472
Energy: 0.688234904592276
Energy: 0.47331810166303706
Energy: 0.4252389452632876
Energy: 0.7794890583718929
Energy: 1.029647981643071
Energy: 0.42524164032656603
Energy: 0.7101010338716968
Energy: 0.903550189451526
Energy: 0.6667239351149398
Energy: 0.6675429141571927
Energy: 0.7255346594835205
Energy: 0.719589553939166
Energy: 0.7181925577917568
Energy: 0.7223850076689067
Energy: 0.7198754174609553
Energy: 0.6595513813532669
Energy: 0.7262926881724816
Energy: 0.3142493535480547
Energy: 0.3119312391590065
Energy: 0.4684064930852383
Energy: 0.6295733290077563
Energy: 0.6587772583010559
Energy: 0.7294901856237972
Energy: 0.7293921942176876
Energy: 0.31478434582797976
Energy: 0.7169683286128531
Energy: 0.6301804842611987
Energy: 0.6601227508702197
Energy: 0.7144159373776521
Energy: 0.7155452338154547
Energy: 0.704686713129941
Energy: 0.7213688952954328
Energy: 0.7243732286439037
Energy: 0.6580095292683579
Energy: 0.7766946639111896
Energy: 0.7405967949921343
Energy: 0.4854267600983463
Energy: 0.4800258590095655
Energy: 0.6663415800280557
Energy: 0.4398635117050773
Energy: 0.4765616049791412
Energy: 0.664533531539962
Energy: 0.6780991083917073
Energy: 0.4715899982711672
Energy: 0.664437587403082
Energy: 0.6920494808616707
Energy: 0.46877018046683083
Energy: 0.4738736741418827
Energy: 0.44506466560756963
Energy: 0.4705361006381148
Energy: 0.4725243464672338
Energy: 0.6996865479745037
Energy: 0.19008417801418595
Energy: 0.6593660765934688
Energy: 0.47058412783089437
Energy: 0.46176378314259087
Energy: 0.656369786237782
Energy: 0.47174848060140934
Energy: 0.7277019950094504
Energy: 0.7631654951233107
Energy: 0.47603883643642353
Energy: 0.47649060018187456
Energy: 0.48840888082288925
Energy: 0.47288147549805126
Energy: 0.467884049980853
Energy: 0.47668485099415625
Energy: 0.47749608111485764
Energy: 0.47511591103646067
Energy: 0.674103796976356
Energy: 0.801303889310631
Energy: 0.4219550147114001
Energy: 0.47154895279940623
Energy: 0.3155308048124442
Energy: 0.47395193043597106
Energy: 0.42577831539549577

minimum gb energy = 0.19008417801418595 eV
minimum distance =  2.38776294477042 Angstroms
sigma value = 11


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

Energy: 0.5300303966900467
Energy: 0.6890084960976636
Energy: 0.7801579460381606
Energy: 0.32535122057264754
Energy: 0.9286587973001658
Energy: 0.743702731333622
Energy: 0.4182240563007957
Energy: 0.21563179199127339
Energy: 0.24041255675149822
Energy: 0.21869412658929657
Energy: 0.23238360181729725
Energy: 0.15914965798947198
Energy: 0.3799208075128188
Energy: 0.21770628120500043
Energy: 0.2869318486669999
Energy: 0.21565576609390946
Energy: 0.2114100243698013
Energy: 0.21385760479651617
Energy: 0.3786059876368727
Energy: 0.24943172014653497
Energy: 0.2114682647442337
Energy: 0.21872137618023937
Energy: 0.17974518903041722
Energy: 0.2135484270312007
Energy: 0.5254247298542869
Energy: 0.49302533254465014
Energy: 0.4929689108820165
Energy: 0.27176714937935315
Energy: 0.4982134131745418
Energy: 0.18470827448740756
Energy: 1.055199888373338
Energy: 0.48977873750927736
Energy: 0.48962545065030233
Energy: 0.606777756696122
Energy: 0.44396509436149434
Energy: 0.2879055983407576
Energy: 0.35027626350579344
Energy: 0.25618981106768896
Energy: 0.2588861667540628
Energy: 0.17486044797249903
Energy: 0.3799185371218205
Energy: 0.07327997775277573
Energy: 0.23674821928405
Energy: 0.31601164707844165
Energy: 0.5288659162160702
Energy: 0.23500441310516923
Energy: 0.37323910809902133
Energy: 0.5293641269731427
Energy: 0.40662674624515294
Energy: 0.2341238089303589
Energy: 0.15813733389024653
Energy: 0.22292397910981898
Energy: 0.1967909187919826
Energy: 0.1838236462135142
Energy: 0.6184332967360052
Energy: 0.40120457037172974
Energy: 0.3496488742540505
Energy: 0.10154196742059049
Energy: 0.40681167099427273
Energy: 0.6664719751441858
Energy: 1.1291411071158926
Energy: 0.5085680585455739
Energy: 0.5078725812126318
Energy: 0.4989510934529971
Energy: 0.34534448791681266
Energy: 0.5067644805722891
Energy: 0.7976679569630811
Energy: 0.214845332582221
Energy: 0.3176869858074944
Energy: 0.5400549295189014
Energy: 0.13107449211941732
Energy: 0.36183755795829925
Energy: -0.06953583171352104
Energy: 0.5076518754511097
Energy: 0.46482167512424793
Energy: 0.5316513324463721
Energy: 0.27120250240044963
Energy: 0.5849222227403361
Energy: 0.8370800184141964
Energy: 0.6216044290515585
Energy: 0.624131361543883
Energy: 0.506996540204267
Energy: 0.5049260415529581
Energy: 0.6228117975735451
Energy: 0.9646339051362577
Energy: 0.5985827300813057
Energy: 0.598936368082752
Energy: 0.7996593461164868
Energy: 0.6035291716287345
Energy: 0.7713890799985536
Energy: 1.1231437634041532
Energy: 0.5073232545961509
Energy: 0.6218747734119465
Energy: 0.6230663861932658
Energy: 0.5049093730573528
Energy: 0.6238563942742354
Energy: 0.9125676226977999
Energy: 0.4479389205182985
Energy: 0.5236950333447787
Energy: 0.44082389268079564
Energy: 0.6390036115334145
Energy: 0.5258426936264048
Energy: 1.1658104254637824
Energy: 0.5096941944656456
Energy: 0.6232018088916933
Energy: 0.23210915540621077
Energy: 0.704801448491604
Energy: 0.5019153094860669
Energy: 1.0720040536503213
Energy: 0.401866559965039
Energy: 0.2547649534974381
Energy: 0.25983519505061287
Energy: 0.5866028914984557
Energy: 0.07274354938143633
Energy: 0.3792427886007185
Energy: 0.6424952501066339
Energy: 0.5570533562023469
Energy: 0.2836002805848206
Energy: 0.6821904511142386
Energy: 0.4931066288559411
Energy: 1.1243334219876515
Energy: 0.5089664773529485
Energy: 0.5086291288209683
Energy: 0.5018683275659843
Energy: 0.6214927766305047
Energy: 0.5030384023678518
Energy: 0.9316884341757632
Energy: 0.46578911737928397
Energy: 0.5133445321731431
Energy: 0.7798947022974299
Energy: 0.4286593113871691
Energy: 0.7432879318659312
Energy: 0.3573875680319251
Energy: 0.5004198390577923
Energy: 0.49672006079227177
Energy: 0.27167399620591454
Energy: 0.5042073990428598
Energy: 0.5151961046089102
Energy: 0.3153726373859016
Energy: 0.3641444067821896
Energy: 0.3092684176522554
Energy: 0.35842980931545537
Energy: 0.2532707585555409
Energy: 0.3561892588576308
Energy: 0.5062135934860329
Energy: 0.1987317928070379
Energy: 0.3648871136665022
Energy: 0.3632730151929534
Energy: 0.1989321743211492
Energy: 0.3557534278701813
Energy: 0.45916027517622865
Energy: 0.2930434665481092
Energy: 0.26311729598736017
Energy: 0.620190446594831
Energy: 0.29372882550465884
Energy: 0.3069123866296047

minimum gb energy = -0.06953583171352104 eV
minimum distance =  2.39205560109005 Angstroms
sigma value = 41


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

Energy: 0.7852851438168978
Energy: 0.6608079127707297
Energy: 0.7625324926259147
Energy: 0.874123875707454
Energy: 0.42662958655415334
Energy: 0.4263646216872899
Energy: 0.4648818663473999
Energy: 0.23520936333727316
Energy: 0.23267592984308952
Energy: 0.2466729992230463
Energy: 0.2388871171541054
Energy: 0.2332395889456401
Energy: 0.3861969191199523
Energy: 0.24177995363784843
Energy: 0.2339966649649423
Energy: 0.236973800058447
Energy: 0.2443590461249003
Energy: 0.23697547535234448
Energy: 0.3860108729409859
Energy: 0.2413262707670296
Energy: 0.23335433198345537
Energy: 0.20778225072545617
Energy: 0.22772708514152676
Energy: 0.2331266109089469
Energy: 0.5401658681294117
Energy: 0.15082199890154488
Energy: 0.06029295856559176
Energy: 0.23866055193369118
Energy: 0.02390707091806502
Energy: 0.23651777110943442
Energy: 0.5774676252936398
Energy: -0.3231956542120095
Energy: 0.14396659531961023
Energy: 0.4264338449322107
Energy: 0.24596580743561985
Energy: 0.5797125123361698
Energy: 0.20343949861787378
Energy: 0.23448578758561042
Energy: 0.23390245212663469
Energy: 0.23557164195059374
Energy: 0.2248816035414624
Energy: 0.23584991315521311
Energy: 0.4455361783053791
Energy: 0.24901706383429806
Energy: 0.636091347858002
Energy: -0.1601217552463575
Energy: 0.323906429738248
Energy: 0.27614973400143056
Energy: 0.23935670714901905
Energy: 0.23557921511655877
Energy: 0.23350441642391048
Energy: 0.24371981216696165
Energy: 0.2478470760640757
Energy: 0.23387282586574393
Energy: 0.42607043248599635
Energy: 0.21736192000903976
Energy: 0.5237377430386396
Energy: -0.2580584856574754
Energy: 0.29098074480639374
Energy: 0.5241307028605284
Energy: -0.13148039072015263
Energy: 0.5245312670711697
Energy: 0.4302452331750351
Energy: 0.08891517826258183
Energy: 0.5234672034494171
Energy: 0.4287810116321236
Energy: 0.5831676199525943
Energy: 0.23487259753522927
Energy: -0.33026971663821997
Energy: 0.28454881704131396
Energy: 0.23684695193219527
Energy: 0.43190740455311666
Energy: 0.7193950801607462
Energy: -0.32361175925354146
Energy: 0.8841326232025223
Energy: 0.27630716166350655
Energy: 0.23288037162908728
Energy: 0.5761786395859446
Energy: 0.6974317933552001
Energy: 0.2314825680944195
Energy: 0.23356649284152248
Energy: 0.2486126311052819
Energy: 0.2331838420337257
Energy: 0.23317655887034597
Energy: 0.44528293318779405
Energy: 0.6243977812868577
Energy: 0.22336272424611384
Energy: 0.21061918404300725
Energy: 0.6251265501528982
Energy: 0.22472874908574503
Energy: 0.4475471492676937
Energy: 0.23572242945909955
Energy: 0.23575436804098654
Energy: 0.25744959926534394
Energy: 0.2298846985799442
Energy: 0.22749940313114903
Energy: 0.15064727001937933
Energy: 0.1785819839542004
Energy: 0.4882084747706332
Energy: -0.12890831352209559
Energy: 0.4125543824791514
Energy: 0.8832881188326867
Energy: 0.4641812615984238
Energy: 0.24767934090791907
Energy: 0.2345461208918942
Energy: 0.08913046108436533
Energy: 0.23458498003666806
Energy: 0.09286088193470689
Energy: 0.3854928520358163
Energy: 0.24132900174183583
Energy: 0.2335622725615038
Energy: 0.24964272419158565
Energy: 0.24061997976433047
Energy: 0.23540227111367865
Energy: 0.38686919005662285
Energy: 0.22730618357824822
Energy: 0.23558859640322302
Energy: 0.22746709294858752
Energy: 0.25008127242595596
Energy: 0.23635205287137487
Energy: 0.5397891893888735
Energy: 0.23584344971176166
Energy: 0.23322668003322894
Energy: 0.23909310026954572
Energy: 0.2346495853803358
Energy: 0.2343708438300491
Energy: 0.8352991808074056
Energy: 0.11460202232552438
Energy: 0.7418231028671561
Energy: 0.5723048312688992
Energy: 0.3489395073452996
Energy: 0.7337270456344717
Energy: 0.30723592178159675
Energy: 0.23467863681041118
Energy: 0.23615055022573603
Energy: 0.24178910303289045
Energy: 0.2388275959298137
Energy: 0.22814859624268485
Energy: 0.456524352496444
Energy: 0.6255838326994373
Energy: 0.6368683628999313
Energy: 0.3451946380963604
Energy: 0.6253507086605824
Energy: 0.09180889503489086
Energy: 0.39393436994904685
Energy: 0.23350873380438666
Energy: 0.2328570978834755
Energy: 0.2355243324620916
Energy: 0.23902734301827777
Energy: 0.23333412259869932
Energy: -0.14183797147420513
Energy: 0.5244196630102734
Energy: 0.4292737519980442
Energy: 0.08862558325345896
Energy: 0.5036823420034703
Energy: 0.428689553451638
Energy: -0.1216666897148718
Energy: 0.5237144024506518
Energy: 0.5242654129605162
Energy: -0.22073645487628402
Energy: 0.4807760791492429
Energy: 0.5246513039461911
Energy: 0.498443095163094
Energy: 0.3429381201109187
Energy: 0.4286809536929754
Energy: 0.4050022622056856
Energy: -0.38519428753887547
Energy: 0.42812845385002596
Energy: 0.6507403088064357
Energy: 0.5760349154064367
Energy: 0.5758330423473713
Energy: 0.5747713135747463
Energy: 0.5766739060139694
Energy: 0.5758348829482516
Energy: 0.4549510164541126
Energy: 0.4290142466068636
Energy: 0.42887757075901234
Energy: 0.41550973367955646
Energy: 0.4291788740114758
Energy: 0.42951285272364703
Energy: 0.44444317629340646
Energy: 0.3007127125471264
Energy: 0.13875802963757267
Energy: 0.21526869053954145
Energy: 0.22438202505502686
Energy: 0.14037551386642103
Energy: 0.4453964347218359
Energy: 0.23488060601518593
Energy: 0.235727701753675
Energy: 0.2250186423376046
Energy: 0.23594215989195289
Energy: 0.23512685905251754
Energy: 1.1777364969270658
Energy: 0.23628092167904938
Energy: 0.09525788208296451
Energy: -0.4414470986717558
Energy: 0.22848165304046253
Energy: 0.08891003335949468

minimum gb energy = -0.4414470986717558 eV
minimum distance =  2.39499818887924 Angstroms
sigma value = 33


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

Energy: 0.6778351361977667
Energy: 1.0861732097199495
Energy: 1.032395634414439
Energy: 0.5351132704233017
Energy: 0.39782464504904175
Energy: 1.0386100970968852
Energy: -0.5166887378686382
Energy: 0.06425047293513539
Energy: 0.08259293549664466
Energy: 0.1721287707325135
Energy: 0.0857109171464716
Energy: 0.0818685987558653
Energy: 0.10465515660415968
Energy: 0.06159408247991037
Energy: 0.08086378581149849
Energy: -0.5945344019569756
Energy: 0.06668549110702571
Energy: 0.08302201393231785
Energy: 0.14712037842165265
Energy: 0.06178672186727352
Energy: 0.08339664926524674
Energy: 0.05717370114806203
Energy: 0.06914324354451715
Energy: 0.08474322795476497
Energy: 0.7902597662539702
Energy: 0.1552240775861328
Energy: 0.4675201691003551
Energy: 0.7259808894076487
Energy: -0.8778382584068588
Energy: 0.4672145861564232
Energy: 0.9301560923432042
Energy: 0.14636366575516452
Energy: 0.15591230670085376
Energy: 0.7605863385295842
Energy: 0.1447824189290246
Energy: 0.46853202977979513
Energy: 0.5781674712343061
Energy: 0.4655237822152311
Energy: -0.5241337634179897
Energy: -0.3405735122788209
Energy: 0.46629618608366513
Energy: 0.08198545298085123
Energy: -0.7645867418529633
Energy: 0.07533655863185784
Energy: -0.7165457039357833
Energy: -0.8585693816310974
Energy: 0.804971817741849
Energy: -0.8268418491431965
Energy: 0.5791127192899056
Energy: 0.47023657580966516
Energy: 0.46607694249467824
Energy: 0.4663905457335225
Energy: 0.46503483424232517
Energy: 0.4656804160357146
Energy: 0.5809813603890777
Energy: 0.7384737259567223
Energy: 0.7419634964117278
Energy: 0.09484516217204818
Energy: 0.738191552717545
Energy: 0.4605814502502518
Energy: 0.5800646019271585
Energy: 0.4626672536690963
Energy: 0.08439243031076932
Energy: 0.05576071913382637
Energy: 0.746462313475323
Energy: 0.08384092901719127
Energy: 0.9293806929927787
Energy: -0.821411082001078
Energy: -0.826590752883571
Energy: 0.7448646188180436
Energy: -0.7272667786016462
Energy: -0.9234147482427869
Energy: 0.7797079534843155
Energy: -0.8223410898714402
Energy: -0.6233692126804247
Energy: 0.7379001782223266
Energy: 0.08025010452768591
Energy: -0.6466146227587731
Energy: 0.11439239310474157
Energy: -0.579445813927819
Energy: 0.08511386768758018
Energy: 0.0658143230220054
Energy: -0.3927890355298214
Energy: 0.0852312339361579
Energy: 0.1340034974611013
Energy: 0.06289917034080701
Energy: 0.0814483008178848
Energy: 0.060797362916096685
Energy: 0.05273136589544026
Energy: 0.08117729213451998
Energy: 0.14864799765767842
Energy: -0.3217152032381022
Energy: -0.5477095994539218
Energy: 0.07496183478028501
Energy: -0.6550842056069965
Energy: 0.05802454913363695
Energy: 0.5909393331858775
Energy: 0.7677519609143195
Energy: 0.7494952427772505
Energy: 0.1518816476362263
Energy: 0.6803714416812615
Energy: 0.47203117104255576
Energy: 0.5898236641327514
Energy: 0.46670700066916654
Energy: 0.4670171517899058
Energy: 0.17008244705962733
Energy: 0.14486937673819522
Energy: 0.4671371152009657
Energy: 0.8637302523910014
Energy: -0.6659745099861631
Energy: -0.6699231548521679
Energy: 0.06229100590760771
Energy: -0.7478850999918865
Energy: 0.46380882403075935
Energy: 0.09777928142439317
Energy: 0.17954611197391732
Energy: -0.7990154550741191
Energy: 0.07624605451814719
Energy: -0.8383894124426675
Energy: 0.46799618708135
Energy: 0.7784052156674763
Energy: 0.46683263659957597
Energy: 0.4676043568803907
Energy: 0.46522061692772637
Energy: -0.5335760144694299
Energy: 0.472452840030284
Energy: 0.7940514806515659
Energy: 0.4644985604327017
Energy: 0.7544142768425692
Energy: 0.7404215406379124
Energy: 0.08388075948839127
Energy: 0.7543409998042682
Energy: 0.13090769680044193
Energy: -0.31823600895174703
Energy: 0.05604612779788033
Energy: 0.4648001962648524
Energy: -0.521809670784614
Energy: 0.4706913475007836
Energy: -1.2082284438469568
Energy: -0.03790281061285595
Energy: 1.0268144929966627
Energy: -0.8520867217320507
Energy: 0.7356150224961282
Energy: 1.025845668464013
Energy: -0.6678355137688666
Energy: -0.5259942950141978
Energy: 0.05745591498787763
Energy: -0.6186915409707672
Energy: 0.06356053868479952
Energy: 0.4671908339219632
Energy: 0.13879457986515595
Energy: 0.06525160514392585
Energy: 0.08750997378583365
Energy: -0.6626345514324219
Energy: 0.06579174119721688
Energy: 0.08860182696482236
Energy: 0.1339144086529801
Energy: 0.13143775347983805
Energy: 0.08718044480601181
Energy: -0.34717044556005056
Energy: 0.13135605565803696
Energy: 0.08571677776596981
Energy: 0.7905825702591722
Energy: -0.4319881061034583
Energy: 0.15141488076971882
Energy: 0.727411781693399
Energy: -0.7961337391045494
Energy: -0.5686040719065006
Energy: 0.9273874200227684
Energy: 0.4718172802878039
Energy: 0.4695709610728977
Energy: 0.7600677783626659
Energy: -0.5769389801264949
Energy: 0.4691326513059664
Energy: 0.5783355173826003
Energy: 0.466395239980515
Energy: 0.1772281365970439
Energy: -0.619746326039933
Energy: 0.4663522051296356
Energy: 0.08371777888698838
Energy: -0.713630747619608
Energy: 0.7985593867632343
Energy: -0.7701339583946254
Energy: 0.18785769595438712
Energy: 0.7973489645664578
Energy: -0.6157902597345257
Energy: 0.5790790833046144
Energy: 0.4714531914398772
Energy: 0.4682268376558213
Energy: 0.4598005958662289
Energy: 0.46607248926216055
Energy: 0.46552830925704425
Energy: 0.5803504700391522
Energy: 0.7394361439040931
Energy: 0.4629011743480707
Energy: 0.06931814851349229
Energy: 0.7386674828729349
Energy: 0.08440233196434077
Energy: 0.5803144322971787
Energy: 0.7397116281380897
Energy: 0.46108972130414283
Energy: 0.0625446288644096
Energy: 0.7390565385185265
Energy: 0.0843705071541407
Energy: 0.9420440966510298
Energy: -0.6242425649497709
Energy: -0.6305085878590156
Energy: 0.7333836313170038
Energy: -0.6137239952481075
Energy: 0.46780268360902366
Energy: 0.7789227768719312
Energy: -0.594663758276298
Energy: -0.6480031711774925
Energy: 0.7384856079790344
Energy: -0.8955438471138607
Energy: 1.0257492996625461
Energy: 0.11754302762465761
Energy: -0.2732396674169152
Energy: 0.08377112390304
Energy: 0.07601001794367461
Energy: -0.6226400571411923
Energy: 0.08268224231644658
Energy: 0.5923168929219862
Energy: 0.08158432624775175
Energy: 0.08617039625444586
Energy: 0.5188279973592009
Energy: 0.07636438668209199
Energy: 0.0868186038066171
Energy: 0.1483849991222181
Energy: 0.17085288383086186
Energy: 0.08287226757156926
Energy: 0.07443162128464723
Energy: -0.49975125281294014
Energy: 0.08478557932806163
Energy: 0.5908009451444135
Energy: 0.7681241586284914
Energy: 0.7260880691565347
Energy: -1.1570609216052177
Energy: 0.7665299028566243
Energy: 0.16795017937976844
Energy: 0.5898427457167723
Energy: -0.6167222189977503
Energy: 0.4676244543337359
Energy: -0.8011808156525287
Energy: 0.7379135674025704
Energy: 0.46671315864853957
Energy: 0.8614811808479893
Energy: 0.17635561131736738
Energy: 0.17465342030519665
Energy: 0.7395368645772136
Energy: -0.5575650257774363
Energy: 0.08381308828813347
Energy: 0.5183981593084771
Energy: 0.1627018648236457
Energy: -0.7095133480558187
Energy: 0.07339769753981433
Energy: -0.6541661052050197
Energy: -0.8557569733814775
Energy: 0.5291943398939688
Energy: 0.46565776302544915
Energy: 0.4656661876163123
Energy: 0.44657616241579656
Energy: 0.46594049416938144
Energy: 0.4657894813521265
Energy: 0.838011512941664
Energy: 0.7523910929721276
Energy: 0.756615079914808
Energy: 0.8056630085817765
Energy: 0.4623667323565742
Energy: 0.40827521891443813
Energy: 0.12265624564491583
Energy: -0.4164237544320114
Energy: 0.08180316041969952
Energy: 0.4654992215337121
Energy: 0.08504667143788848
Energy: 0.08135252814108733
Energy: -0.49169241818209825
Energy: 0.7403167206025355
Energy: 1.0262859584715602
Energy: 0.1560264625424032
Energy: 0.7369080902966397
Energy: -0.4706963393266964

minimum gb energy = -1.2082284438469568 eV
minimum distance =  2.40372001098521 Angstroms
sigma value = 67


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

Energy: 1.1190636778503917
Energy: 0.5912758078994174
Energy: 0.5842484050093696
Energy: 0.5847057378207109
Energy: 0.08108137849596568
Energy: 0.5853049564442627
Energy: -0.10460371984949933
Energy: 0.495662197056166
Energy: 0.49629998319216817
Energy: 0.49253310844772746
Energy: 0.49352418397143966
Energy: 0.49097665057912065
Energy: 0.035552471626234136
Energy: -0.11663116754119852
Energy: -0.0029382683892823632
Energy: 0.06260875172829991
Energy: -0.13562926335853295
Energy: -0.005778156974006363
Energy: 0.02597169478722264
Energy: 0.0547290302372902
Energy: -0.009117611085326766
Energy: 0.05318709284198856
Energy: 0.05743278456101623
Energy: -0.0042415330206296885
Energy: 0.5798437287427733
Energy: 0.4912958804798384
Energy: 0.49108498650292054
Energy: 0.48878906939412
Energy: 0.4973235276399977
Energy: 0.4913119750873964
Energy: 0.576386536592388
Energy: 0.15288738988131015
Energy: 0.48997302523801967
Energy: 0.491468636967699
Energy: 0.1584121573292012
Energy: 0.4893484875626509
Energy: -0.15732554656238676
Energy: 0.491652725905563
Energy: 0.49179080825146004
Energy: -0.08169303448020401
Energy: 0.49284035305193385
Energy: 0.4916938979241511

minimum gb energy = -0.15732554656238676 eV
minimum distance =  2.39963342619588 Angstroms
sigma value = 3


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

Energy: 0.001580536458445496
Energy: 0.5435021023085106
Energy: 0.05987500077514922
Energy: -0.1322979706967678
Energy: 0.35740177437924775
Energy: 0.23594303781985254
Energy: 0.5211301647742784
Energy: -1.3182049726669045
Energy: -1.8518955241631112
Energy: -1.4932892224443959
Energy: -1.8497196993319858
Energy: 0.436146080738986
Energy: 0.3242921440221422
Energy: -1.3249019776137745
Energy: -1.3037092284986875
Energy: 0.14132422922855725
Energy: -1.350401079678571
Energy: 0.12147352675413904
Energy: -0.02272357786289706
Energy: -1.5576953334291128
Energy: -1.4885482215566341
Energy: 0.1296757215696477
Energy: 0.4505946588383542
Energy: -1.5297747339738932
Energy: -0.12403392065207314
Energy: -2.22253052222495
Energy: 0.15886162998227737
Energy: -0.9607570441537556
Energy: -1.4903384037865408
Energy: -1.572507326168068
Energy: 0.005354139801768729
Energy: 0.15801357416137557
Energy: -1.681270307737953
Energy: -1.8443151144310892
Energy: -1.6134123394260784
Energy: 0.15537714559507168
Energy: 0.5863578890610829
Energy: -1.6488913133852199
Energy: -1.5605968378325052
Energy: -1.5074818016961382
Energy: -1.7637798679579555
Energy: 0.32197289099207727
Energy: -1.51914091961173
Energy: 0.516133174973634
Energy: -0.002204217013847551
Energy: -0.8669593535273685
Energy: 0.44148957029197705
Energy: -0.07014026784776609
Energy: 0.7831834751364536
Energy: 0.6188395129319725
Energy: 0.617793226698946
Energy: -1.8492527086887736
Energy: 0.6234211245805045
Energy: 0.6144598098820785
Energy: -1.2905284890765742
Energy: 0.2569039467777665
Energy: 0.2625004550543431
Energy: -0.9458590592223585
Energy: 0.2630360095675564
Energy: 0.58657438673993
Energy: -0.11279657550170896
Energy: -1.7768117073714287
Energy: 0.7792824632807516
Energy: 0.8332614718423446
Energy: -2.1313925075884965
Energy: 0.4074141804496644
Energy: -1.9568982861105253
Energy: -0.42222596219455133
Energy: -0.5532238168153109
Energy: -1.9676505119130574
Energy: -1.4777073893123063
Energy: -1.3237311261190208
Energy: -1.2525026785312272
Energy: -0.6390795024384268
Energy: -1.9599525512677007
Energy: -1.8748764068642876
Energy: -0.4448812234457298
Energy: -1.4752516659586297
Energy: 0.764912947449257
Energy: -1.5755481082337714
Energy: -1.7919583165489805
Energy: 0.673262711900065
Energy: -1.5071799163924902
Energy: 0.5220035384269635
Energy: -1.4222033012485042
Energy: 0.23495318337573318
Energy: 0.09317804645059599
Energy: -1.4969575109239464
Energy: 0.17712591595526309
Energy: 0.10857104756496981
Energy: 0.5913929727911482
Energy: -1.8930146895698259
Energy: -1.871049466912246
Energy: -1.811116124424752
Energy: 0.5084832495046931
Energy: -1.8619835609706656
Energy: 0.7479844140161015
Energy: -1.0288299129820173
Energy: -1.1389160551560669
Energy: 0.5849137502903913
Energy: -1.2775052794725639
Energy: 0.5156377069653876
Energy: 0.803479002227165
Energy: -1.542813619773329
Energy: 0.6088031898366804
Energy: 0.6469679597020696
Energy: -1.3890198543333367
Energy: 0.6004195797006855
Energy: 0.6132292437561332
Energy: 0.08776525954926201
Energy: 0.11068740241191187
Energy: 0.26646891934393113
Energy: 0.13790914688081976
Energy: 0.26603476470787774
Energy: -1.4633296382663752
Energy: -0.2828314157182638
Energy: 0.21738630329410125
Energy: 0.26713824398935626
Energy: 0.2132589924038201
Energy: 0.2648278720062305
Energy: 0.48845011318443493
Energy: 0.40765972743094636
Energy: 0.4641517778017562
Energy: -1.2862021947038857
Energy: -1.5696673860609047
Energy: 0.4622568204923766
Energy: 0.5017327335528806
Energy: -1.4977573224888416
Energy: -1.4604711395410315
Energy: -1.4978907467430373
Energy: -1.9752004128328746
Energy: -1.7533608701859964
Energy: -1.4959866465286686
Energy: 0.42083992756072985
Energy: -2.0333994854679927
Energy: -1.3075143213249736
Energy: -2.1083177926049514
Energy: -2.060690720936413
Energy: 0.06612752544445842
Energy: -1.4371836745110866
Energy: -1.4932126063263718
Energy: 0.08006056786159214
Energy: -0.9234826991796131
Energy: 0.17111366460516905
Energy: 0.11656652199886958
Energy: -1.8718808478166755
Energy: -1.874702146386845
Energy: -1.3972657618818585
Energy: -1.0496819804833173
Energy: -1.861876651388082
Energy: 0.67174089776121
Energy: -1.961448317329226
Energy: 0.4028030680248171
Energy: -2.2756708158610457
Energy: 0.5779234662003083
Energy: -1.8060203056422337
Energy: -2.026782476339731
Energy: 0.6245353796295782
Energy: 0.4086883023640351
Energy: -2.3311186027091826
Energy: 0.6399310435089167
Energy: -1.846732355917214
Energy: 0.09735282520522175
Energy: -2.0729347845919177
Energy: -1.9039468837664806
Energy: -1.1528946058319762
Energy: -1.81760396620357
Energy: -1.8816743192264993
Energy: 0.11426040104352454
Energy: -1.245118290057559
Energy: -1.2908765086279355
Energy: -0.014759726348475135
Energy: -1.7576833990286178
Energy: -0.03262262756878578
Energy: 0.8124148012627297
Energy: 0.6879340898183914
Energy: 0.45769745793844546
Energy: 0.6784480640913757
Energy: 0.688990083418167
Energy: 0.465215112982178
Energy: -1.9085149930845478
Energy: 0.07601001506868324
Energy: -0.9812510741309773
Energy: 0.05702074863795271
Energy: 0.05652013782503423
Energy: -1.200503275447989
Energy: -0.2031466260655452
Energy: 0.43338505471516864
Energy: 0.4666764443147978
Energy: 0.48497597450233293
Energy: 0.4473712709499331
Energy: 0.5010238113241157
Energy: -2.0770909672771887
Energy: 0.5250166655341767
Energy: 0.5240415395038178
Energy: -0.8289715533855032
Energy: 0.5311322670684833
Energy: -1.6446867399435787
Energy: 0.786193804248101
Energy: -0.9622075030850605
Energy: 0.5464875217377237
Energy: -1.4039525905197623
Energy: -1.2292209779646204
Energy: 0.5133167470990987
Energy: -0.00048361322359380556
Energy: -1.5228436973749717
Energy: -0.6755027994557655
Energy: -1.6920933349054146
Energy: 0.6176371851263437
Energy: 0.6663241050928355
Energy: 0.3474197525146115
Energy: 0.2541275106404131
Energy: 0.2524861854465034
Energy: 0.16759139309546608
Energy: 0.2600924264905625
Energy: 0.7667557458971302
Energy: 0.39361039561129557
Energy: -1.7476570369024977
Energy: -1.1946764032513684
Energy: -1.9066153406871453
Energy: -1.9144455341360447
Energy: -1.2733686406135112
Energy: -1.7532888385835357
Energy: -1.2739837134106808
Energy: -1.6139614213702673
Energy: -2.2706685432683154
Energy: -0.38592725221991386
Energy: -0.49032866335679354
Energy: 0.7892976889927463
Energy: -0.9897994748070137
Energy: -1.1863284853468015
Energy: 0.562644451619755
Energy: -1.826066171783092
Energy: -1.133354314433219
Energy: -1.4548965231749487
Energy: 0.07026825994480686
Energy: -0.44330733390375954
Energy: -1.433486733512164
Energy: 0.10443932827796103
Energy: 0.08017380256181668
Energy: -1.6217375080207888
Energy: 0.154129766292152
Energy: -0.3491454424389369
Energy: -0.9902948565969755
Energy: 0.05007142227628021
Energy: -1.1476504992935372
Energy: -1.923701569120921
Energy: 0.5997960901504702
Energy: 0.6321139752398016
Energy: 0.6838331389302243
Energy: -1.2311848815005293
Energy: 0.6997203912732998
Energy: 0.8687601576920019
Energy: -0.5548081263851485
Energy: -0.5160153306744709
Energy: 0.6867714978933699
Energy: -0.3642933458129441
Energy: 0.5678347561950576
Energy: 0.8308968975885319
Energy: -1.771544744598856
Energy: -1.634088241719759
Energy: 0.6595462432609939
Energy: -1.5455482753475678
Energy: -1.1220305757288185
Energy: 0.13757335481051391
Energy: 0.22928591779281818
Energy: 0.2741077497852455
Energy: 0.15200438716915057
Energy: 0.28484890776706656
Energy: 0.2787157848227103
Energy: -1.2582243800595632
Energy: -1.7872901901156801
Energy: -2.0378610313281316
Energy: -1.7094512110579887
Energy: -2.313232787888214
Energy: -1.408514372652169
Energy: 0.5618981879388699
Energy: -1.8567578535832183
Energy: -1.6571444148699366
Energy: -2.06690991278323
Energy: -1.7549776182920442
Energy: -1.9561085664753268
Energy: 0.4937277102859548
Energy: -1.79963016009537
Energy: -1.9123341437991155
Energy: -1.3320668429358116
Energy: -1.7374673780368937
Energy: -2.229488391603888
Energy: 0.4896531888365514
Energy: -1.2298125601102325
Energy: -0.06480398641933956
Energy: -0.13558665181956073
Energy: -1.2947667045487823
Energy: -0.06750922192672788
Energy: 0.07959440612123544
Energy: -1.3889444761477667
Energy: 0.19345037524662564
Energy: 0.14106829368593135
Energy: -0.42691257310640995
Energy: 0.038076440900371454
Energy: 0.5251721197172777
Energy: -1.7501922856279908
Energy: -1.4272207742391394
Energy: 0.41172597503525726
Energy: 0.32122822595741407
Energy: 0.44165497072284515

minimum gb energy = -2.3311186027091826 eV
minimum distance =  2.38996126426784 Angstroms
sigma value = 81


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

Energy: 1.8319722795380509
Energy: 0.359096932307013
Energy: 0.3600604173373921
Energy: 0.13112717123586706
Energy: 0.2026162529946231
Energy: 0.21978475465553857
Energy: -0.9966485730335181
Energy: -0.49340139118595994
Energy: -0.4411679156652384
Energy: -1.1089722690862265
Energy: -1.2539835236084698
Energy: -0.548578198072919
Energy: -0.0617938534215621
Energy: -0.9504941956200528
Energy: -1.2308813706966664
Energy: -0.34701704189742283
Energy: -1.1101173779257016
Energy: -1.1260183222279752
Energy: 0.11458094232970265
Energy: -0.4919252855065689
Energy: -0.48604887249042267
Energy: 0.11019637455798832
Energy: -1.2794683286613655
Energy: -1.0089563790808673
Energy: 0.09170459317196791
Energy: -1.3531078790976425
Energy: -1.1589237369535328
Energy: 0.03878763497622218
Energy: -0.3540081006379351
Energy: -1.276627268168835
Energy: 0.11360827727111708
Energy: -0.9764318278743174
Energy: -0.8417155585579361
Energy: 0.03977258850102293
Energy: -0.3567711814639724
Energy: -0.3569863073604366
Energy: -0.6816123558888446
Energy: -1.1822980589182859
Energy: -1.2328848923807756
Energy: -0.8912801499423884
Energy: -1.1244423875333653
Energy: -1.2235693882132064
Energy: 0.5735327239280825
Energy: 0.4039852067393059
Energy: 0.4562301563907586
Energy: 0.161677445903393
Energy: -1.1178858962830451
Energy: 0.2188732541136516
Energy: 0.7077729253311722
Energy: 0.5553239096480324
Energy: 0.5548197754119424
Energy: -0.8029454382582631
Energy: 0.5563366801947672
Energy: 0.6465944604625712
Energy: 0.08692560154256371
Energy: 0.3245281413143301
Energy: 0.3908295458726089
Energy: 0.17934485521824298
Energy: -1.0891469845974187
Energy: 0.16384289553648573
Energy: 0.6128239024637752
Energy: 0.3938462986092781
Energy: -1.034388998602433
Energy: -1.0718462815894914
Energy: 0.24264555987748607
Energy: -0.9124793807186307
Energy: -1.0875322119036945
Energy: -0.7893661059389596
Energy: -1.2197775670403554
Energy: -0.42252967186240165
Energy: 0.03927745801395582
Energy: -0.77907575170908
Energy: -0.7339377833969414
Energy: -0.779627606948176
Energy: -0.6965885385281182
Energy: -0.9633266295560038
Energy: -1.1374843622667912
Energy: -0.44976703627584824
Energy: 0.5171517455082493
Energy: -0.7363065780128814
Energy: 0.4810792999515096
Energy: 0.4165767776206666
Energy: 0.4341113422294187
Energy: -0.8230338051665759
Energy: 0.0203170371890456
Energy: 0.005025573274599516
Energy: 0.004291068517135339
Energy: 0.00028617721160855645
Energy: 0.0072846043578719795
Energy: 0.006893955815126131
Energy: 0.6479576472195314
Energy: 0.4349472360777547
Energy: 0.6091273787168296
Energy: 0.28802993532344556
Energy: 0.6078483817091007
Energy: 0.3763343755369178
Energy: 0.35276295173491945
Energy: -0.6158488030398921
Energy: 0.129839799317407
Energy: 0.6227142141424865
Energy: 0.48548489513860676
Energy: -0.18102308435512562
Energy: 0.6981320523664128
Energy: 0.6139289255108642
Energy: 0.6158511656540884
Energy: 0.4454494912609222
Energy: 0.6141475403356884
Energy: 0.6161110784518967
Energy: 0.6339706735577034
Energy: 0.49627274977305963
Energy: 0.4933677732488476
Energy: 0.49884450908175343
Energy: 0.4955110733189328
Energy: 0.477460906635332
Energy: 0.6389396373782087
Energy: 0.4942586754416269
Energy: 0.4945291043437825
Energy: 0.49901777013613696
Energy: 0.49664554931425425
Energy: 0.4781263702044668
Energy: -1.4698735648143062
Energy: -0.10420439071222255
Energy: -0.09735365519912739
Energy: -0.46298976140825426
Energy: -0.18421051340363676
Energy: -0.21145174040317333
Energy: 0.6591714328628995
Energy: -1.264383260444957
Energy: -0.46098336436690196
Energy: 0.4920965299740222
Energy: -1.290517835763127
Energy: -0.8054852622644065
Energy: 0.659695496331039
Energy: -0.17791705991455795
Energy: -0.20092097700619105
Energy: -0.1984521417335495
Energy: -0.12313204132392062
Energy: -0.6833284418921989
Energy: 0.03298081633391457
Energy: 0.032015790360760986
Energy: 0.03318201506239657
Energy: 0.0353899147763161
Energy: 0.03162781968292019
Energy: 0.03261077584607911
Energy: 0.034305490191057185
Energy: -1.2595841436044939
Energy: -1.1598747339937039
Energy: -1.2331345555562048
Energy: 0.4666937813945941
Energy: 0.4815012389206705
Energy: 0.6022514850685851
Energy: 0.58726562971739
Energy: 0.5830890500279816
Energy: 0.4860058289429681
Energy: 0.5862315290080714
Energy: 0.5830818407826156
Energy: 0.5710981032522704
Energy: 0.5827731123204444
Energy: 0.5825576607223291
Energy: 0.48828295362471824
Energy: 0.5872307853563715
Energy: 0.5827511997559056
Energy: -0.04326130750650416
Energy: 0.4890169319925382
Energy: -0.6731345427919053
Energy: 0.5370268461936509
Energy: 0.4712340194390595
Energy: -0.6725071710410461
Energy: 0.15659595136476784
Energy: 0.3063041994690412
Energy: 0.3070225393010461
Energy: 0.17290231989923657
Energy: 0.2903243535442106
Energy: 0.3064387191779312
Energy: 0.40403745602423213
Energy: -1.069993801462244
Energy: -1.094383094195326
Energy: -0.4207803097948924
Energy: -0.45608520569154676
Energy: -0.36775380648597455
Energy: -0.7075043135183811
Energy: -0.08392317583144551
Energy: -0.08389660929110239
Energy: -1.0058191786214146
Energy: 0.3585661311386893
Energy: -1.2228096250027243
Energy: 0.25744287176637914
Energy: -0.6324289721683812
Energy: 0.32014908090153327
Energy: -0.3788182258989009
Energy: 0.3155512234645777
Energy: 0.32009943850021033
Energy: -0.795661462613901
Energy: -0.9489108330534813
Energy: -0.9612913858613805
Energy: -1.0364519322290333
Energy: -0.0014790214997935176
Energy: -0.9109089359495343
Energy: -0.9402551679135578
Energy: -1.0238630882275033
Energy: -1.1221886048743133
Energy: -0.9799610674175576
Energy: -0.9647311762914066
Energy: -0.9894954488953188
Energy: 0.5660058514861124
Energy: 0.6592764515061774
Energy: 0.6597443642767117
Energy: 0.6496908118090046
Energy: 0.47853732764993817
Energy: 0.647288848229837
Energy: 0.4251464496965375
Energy: 0.4803327294032814
Energy: 0.47021903782487473
Energy: 0.4063703851917576
Energy: 0.4748354157104927
Energy: 0.4920173922968974
Energy: 0.3929275753251825
Energy: -0.45062468183981097
Energy: -0.6815426072347837
Energy: 0.5379109856956075
Energy: -0.4837581098107402
Energy: -0.4007866396849041
Energy: 0.7441404118109873
Energy: 0.33709339848896497
Energy: 0.21481642020097366
Energy: 0.3561099615326673
Energy: 0.23722973305589215
Energy: 0.2584716099694994

minimum gb energy = -1.4698735648143062 eV
minimum distance =  2.33892457069144 Angstroms
sigma value = 43


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

Energy: 0.864423165381903
Energy: 0.49757921760089174
Energy: 0.3064868797497089
Energy: -0.010839903249133344
Energy: -0.4007422596379027
Energy: 0.252555035669993
Energy: 0.5287804239925108
Energy: 0.3448543633661955
Energy: 0.40867832211818694
Energy: -0.2733869951012837
Energy: 0.15214216765805083
Energy: 0.5597190380781979
Energy: 0.37296992128494694
Energy: -0.4198399565779107
Energy: -0.5009442355790065
Energy: -0.38466644789438326
Energy: 0.42369373892728807
Energy: -0.4008812141914352
Energy: 0.31712317323865424
Energy: 0.4216120938648734
Energy: 0.40892159414148305
Energy: 0.3508146140130377
Energy: 0.42126219542400223
Energy: 0.44431157490616613
Energy: -0.7133280120924597
Energy: -0.15328298732872037
Energy: -0.15804657822527357
Energy: -0.15323606872453652
Energy: -0.15248603070428163
Energy: -0.15646038307123747
Energy: -0.9601735338943395
Energy: -0.15510326968563348
Energy: -0.15554640801711303
Energy: -0.15630033998307052
Energy: -0.15647862491222891
Energy: -0.1556343508747704
Energy: -0.8408150740168925
Energy: -0.15502847608542686
Energy: -0.15323040054193737
Energy: -0.15341180842055246
Energy: -0.1076509055751985
Energy: -0.1541877097375412
Energy: 0.47664989308178973
Energy: 0.261844348567452
Energy: 0.35447206749314447
Energy: -0.5102870997298862
Energy: 0.26659339543285177
Energy: 0.5057650207923493
Energy: 0.7234891601983161
Energy: 0.44024446495361913
Energy: 0.4413236848734887
Energy: 0.15271334104904644
Energy: 0.437569784096666
Energy: 0.4431157267393959
Energy: 0.5919542032632367
Energy: 0.5846542509267599
Energy: 0.4940036294388358
Energy: 0.3757562038247374
Energy: 0.5848456171060082
Energy: 0.4778547412804472
Energy: 0.10841486065549923
Energy: -0.33636155095121323
Energy: -0.20576991899336583
Energy: -0.5192065685043173
Energy: 0.5132151843309308
Energy: -0.5843317174773665
Energy: 0.5454995403571059
Energy: 0.4422263003606343
Energy: 0.44411284064800904
Energy: -0.1946623420367401
Energy: 0.4528248358919039
Energy: 0.45144021395648515
Energy: 0.5478793747690246
Energy: -0.3724867843517206
Energy: 0.5052802667659628
Energy: 0.4339184043903462
Energy: 0.33720306608573325
Energy: 0.5049037734712127
Energy: -0.821624461700197
Energy: -0.46882038751198907
Energy: -0.7231011534477735
Energy: -0.17878187379362132
Energy: -0.5161188302411183
Energy: -0.456902725135457
Energy: -0.9123239705208094
Energy: -0.5104688305149601
Energy: -0.4780906457164542
Energy: 0.0919722761950451
Energy: -0.19065380760149858
Energy: -0.7166351302756266
Energy: -0.9189193816578912
Energy: -0.15397244284278078
Energy: -0.15478078965208691
Energy: -0.15761232396525993
Energy: -0.8016039889166304
Energy: -0.018846894739025566
Energy: 0.34774421996129384
Energy: -0.39807370119066493
Energy: -0.40616737752563226
Energy: 0.3036282691481578
Energy: -0.6981577701478201
Energy: -0.42811666282590627
Energy: 0.1827223817029068
Energy: -0.4290384692088377
Energy: -0.4009861857567764
Energy: -0.6190385058650587
Energy: -0.4380833091544649
Energy: -0.3914911034769628
Energy: 0.7076217482367324
Energy: -0.36370562309257143
Energy: 0.24053080704635083
Energy: -0.29350147262119136
Energy: -0.34612824437160244
Energy: 0.007879016390841051
Energy: 0.5901524623277685
Energy: 0.2669581883967233
Energy: -0.3834052418754107
Energy: -0.6375400054375463
Energy: -0.4007457652985951
Energy: -0.038586907467839736
Energy: 0.24462804890467593
Energy: 0.6007639751315026
Energy: -0.09264090024862996
Energy: -0.5373398475489037
Energy: -0.6225497514477859
Energy: -0.43306622342225887
Energy: 0.5130680646187394
Energy: 0.4885136136857902
Energy: -0.15479115859824988
Energy: 0.38131005568002185
Energy: -0.5562521296086923
Energy: 0.5426116889657383
Energy: 0.6769387820696571
Energy: 0.24764650026118892
Energy: 0.18954726376896533
Energy: 0.5783850001293339
Energy: -0.5252238936195319
Energy: -0.4892680240336816
Energy: -0.9943192183599074
Energy: -0.2957367734014704
Energy: -0.6955882421667119
Energy: -0.44302114933861375
Energy: -0.5861519348722353
Energy: -0.10158371329866207
Energy: 0.7926516509106778
Energy: -0.4443605622755639
Energy: -0.5528493102701413
Energy: 0.1280781215983637
Energy: -0.42270346023651334
Energy: -0.49293643789195624
Energy: -0.9358576270069113
Energy: -0.003781989506960036
Energy: -0.06681823738406024
Energy: -0.4447111235194532
Energy: 0.002426996154223114
Energy: -0.5024326981962702
Energy: -0.9542804132701596
Energy: -0.5159495751982922
Energy: -0.4945198423510716
Energy: -0.6575655661744086
Energy: -0.05788842090341626
Energy: -0.5138289913545231
Energy: -0.8445866223871352
Energy: -0.5538845331375193
Energy: -0.7087756348169748
Energy: -0.4581637519604727
Energy: 0.001299549182554747
Energy: -0.6845891019990458
Energy: 0.2953525085728153
Energy: 0.43384724032643973
Energy: -0.35841208586611856
Energy: 0.29056229632575975
Energy: 0.4086991085401281
Energy: 0.3346177424545466
Energy: 0.2898136322770378
Energy: -0.5235415768654348
Energy: 0.41515471020229416
Energy: -0.39531925892306263
Energy: -0.23465728934180266
Energy: 0.3205160100476401
Energy: 0.6287088778024547
Energy: -0.45192856381822666
Energy: 0.315899939360808
Energy: 0.5343404727619531
Energy: -0.22525944615249824
Energy: 0.42318991039701415

minimum gb energy = -0.9943192183599074 eV
minimum distance =  2.32253640560115 Angstroms
sigma value = 57


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

Energy: 0.8003749078227054
Energy: 0.6023959314678674
Energy: 0.6027292102110169
Energy: 0.3764991685607252
Energy: 0.5378998888176433
Energy: 0.6033208531769874
Energy: 0.4668270085443883
Energy: 0.3259468772284023
Energy: 0.3173292133593403
Energy: 0.32728168702532057
Energy: 0.31734988896941363
Energy: 0.316615324312816
Energy: -0.024345478448616977
Energy: -1.508066712729383
Energy: -1.4451006932488069
Energy: 0.35445737088286833
Energy: -1.509371557249099
Energy: -1.3674975208903883
Energy: 0.605821338325887
Energy: -1.5034569786467682
Energy: -1.5070113322321816
Energy: 0.32635893993403103
Energy: -1.5068945351101748
Energy: 0.32632102569918914
Energy: -1.3541726424331624
Energy: -0.6035134438304955
Energy: -0.4514820681301383
Energy: -0.5223849591987696
Energy: -0.5230703982889551
Energy: -0.6607049625532986
Energy: -0.1982563037294297
Energy: -0.5311420048365751
Energy: -0.5959083113087424
Energy: -0.600607932770066
Energy: -0.6611419699260966
Energy: -1.1660370150397268
Energy: 0.6228814557274851
Energy: 0.3387977910081521
Energy: 0.31644941585466785
Energy: 0.316341004492427
Energy: 0.31610425539417397
Energy: 0.3168792775789741
Energy: -0.5578326866985722
Energy: -1.1474654753619349
Energy: 0.36572529414776594
Energy: -0.8523973716286105
Energy: 0.3656851813092555
Energy: 0.3436492355119934
Energy: 0.6233888681137858
Energy: 0.37906019384203377
Energy: 0.3791536096081135
Energy: 0.32609959054174215
Energy: 0.37811954512901036
Energy: 0.37960587272639357
Energy: 0.4327549114941002
Energy: 0.4127305171031559
Energy: 0.4131186806151687
Energy: 0.564883090817451
Energy: 0.5053882048474869
Energy: 0.4227664266511559
Energy: -0.03378647694368099
Energy: 0.286794085935872
Energy: 0.31655885857835925
Energy: 0.3773664987385441
Energy: 0.3604156930386956
Energy: 0.3804649921099504
Energy: 0.4557380924104512
Energy: 0.37940824809366
Energy: 0.37992330403851193
Energy: -1.4661509111509734
Energy: 0.3776689979590494
Energy: 0.43989509754379436
Energy: 0.4529121748984891
Energy: 0.36492616752807544
Energy: 0.49010880847721205
Energy: 0.6651089819627668
Energy: 0.37971151838871015
Energy: 0.48944693489749913
Energy: 0.6618280636019377
Energy: 0.32613611060443753
Energy: 0.31780213043794125
Energy: 0.31880602542008263
Energy: 0.32628127679827135
Energy: 0.31727825450729136
Energy: -0.06031639093731855
Energy: 0.1313162754624804
Energy: 0.3677344938715434
Energy: -0.21591996649334985
Energy: 0.23739268144807554
Energy: 0.3684562380754958
Energy: 0.6054996905630805
Energy: 0.3164400397305694
Energy: 0.31711191156137347
Energy: 0.3169055425554675
Energy: 0.3168993850474054
Energy: 0.3172584970355999
Energy: -1.3960865301943626
Energy: -0.5986321023278471
Energy: -1.3843724288210852
Energy: -0.6033431372018826
Energy: -0.5982589092349572
Energy: -0.5980130788843802
Energy: 0.2678273769949634
Energy: -0.5990295420701262
Energy: 0.06771788349887166
Energy: -0.9296168553197816
Energy: -0.6642103765230651
Energy: -0.563321165243746
Energy: 0.6174865935239888
Energy: 0.3663534813066217
Energy: 0.3524575110396172
Energy: 0.31788568837355485
Energy: 0.3653711409019621
Energy: 0.3690543980559101
Energy: 0.619813719266557
Energy: 0.3660141903769253
Energy: 0.36674002062977595
Energy: 0.3259211442107121
Energy: 0.342531599316452
Energy: 0.36787520226395887
Energy: 0.6207715160547577
Energy: 0.33388603462711325
Energy: 0.3354479586173345
Energy: 0.31704256111895773
Energy: 0.36748115782867546
Energy: 0.31565263422506623
Energy: -0.1108483895956337
Energy: 0.48774769119201017
Energy: 0.4758153702390641
Energy: 0.4963850763067382
Energy: 0.4150281424319011
Energy: 0.495159297083214
Energy: 0.6619971380151022
Energy: 0.3262914483319517
Energy: -0.21745731916556565
Energy: 0.31326376147643403
Energy: 0.3580591137242616
Energy: 0.32598506058370147
Energy: 0.43267313453753903
Energy: 0.3658581399444329
Energy: 0.490348128158366
Energy: 0.6633023934898006
Energy: 0.367186485979549
Energy: 0.4894461699989015

minimum gb energy = -1.509371557249099 eV
minimum distance =  2.39801788507635 Angstroms
sigma value = 17


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

Energy: 0.8227693734602324
Energy: 0.5160197056864063
Energy: 0.5165484865696666
Energy: 0.40749243410194574
Energy: 0.37933142141997206
Energy: 0.40874017085951025
Energy: 0.5052667801049151
Energy: 0.3802888680838669
Energy: 0.3763552127774467
Energy: 0.36274377547394915
Energy: 0.38463642113306534
Energy: 0.3759705126713081
Energy: 0.5165452663458155
Energy: 0.2704655843745537
Energy: 0.2918181096854122
Energy: 0.39004814835614965
Energy: 0.2708286841366049
Energy: 0.2915161065864809
Energy: 0.6176630453151637
Energy: 0.29232637168164194
Energy: 0.2916898764160544
Energy: 0.3844948084161436
Energy: 0.3225949593920569
Energy: 0.3799564857131554
Energy: 0.6426957310375602
Energy: 0.2391522499742846
Energy: 0.2393445295191636
Energy: 0.31529797883214344
Energy: 0.23855051436978245
Energy: 0.23940113144318861
Energy: 0.46981980745526286
Energy: 0.1947225015223507
Energy: 0.19478182095174215
Energy: 0.2830316703243976
Energy: 0.1949058865851753
Energy: 0.28339367053508463
Energy: 0.4115653319643529
Energy: -0.10463226651273533
Energy: -0.0069855405580450305
Energy: -0.10090453300477588
Energy: -0.10065881198971793
Energy: -0.0036273896115929676
Energy: 0.45960816414298067
Energy: -0.009299015271905386
Energy: -0.009044847163712986
Energy: -0.005770549372390434
Energy: -0.10433102227488066
Energy: -0.0050363107642185665
Energy: 0.41212556996408106
Energy: -0.09989568914684048
Energy: 0.13908685874882346
Energy: -0.09905444972795663
Energy: -0.003684285472856557
Energy: -0.001884599259563702
Energy: 0.48384171239661117
Energy: -0.7051750063963774
Energy: -0.7844318894912544
Energy: 0.21660546910397485
Energy: 0.21541953424464982
Energy: 0.19391620998449402
Energy: 0.4784131680616828
Energy: 0.2062751823368965
Energy: 0.20604965998687855
Energy: 0.23889453427664098
Energy: 0.23892383980811716
Energy: 0.2387286515863728
Energy: 0.4749497068520135
Energy: 0.3837998526735215
Energy: 0.3839881642184394
Energy: 0.2689595725735732
Energy: 0.21928216908557605
Energy: 0.3800559241400963
Energy: 0.529314687676938
Energy: 0.355530636231149
Energy: 0.3560441273332573
Energy: 0.2937799290475661
Energy: 0.3549372550808039
Energy: 0.3558152200227321
Energy: 0.687996962056942
Energy: 0.3567251790464273
Energy: 0.3775142042282326
Energy: 0.3508905075796386
Energy: 0.35700681681268265
Energy: 0.3760152100559699
Energy: 0.7539818646673525
Energy: 0.4447743745248447
Energy: 0.49484282757990367
Energy: 0.5228201354533027
Energy: 0.48949872393506283
Energy: 0.4947278544623039
Energy: 0.7038398322042255
Energy: 0.35676377580535196
Energy: 0.3756041034780736
Energy: 0.37894069063680125
Energy: 0.3563820696884137
Energy: 0.3803372618851785
Energy: 0.6882830463348835
Energy: 0.35586948809668323
Energy: 0.4683390086413896
Energy: 0.4039350249865014
Energy: 0.35583473603919363
Energy: 0.46999310276404954

minimum gb energy = -0.7844318894912544 eV
minimum distance =  2.37136257128057 Angstroms
sigma value = 17


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

Energy: 0.5967909390833396
Energy: 0.531472676806838
Energy: 0.4186761672628675
Energy: 0.3601198517753916
Energy: 0.42168599751053115
Energy: 0.41827153402149697
Energy: 0.654646616970711
Energy: 0.33167034737382384
Energy: 0.3344424391643379
Energy: 0.3540003090547642
Energy: 0.3302689728347361
Energy: 0.3305281863365259
Energy: 0.6592578511164813
Energy: 0.2862309950961009
Energy: 0.24027497244943707
Energy: 0.366904078393733
Energy: 0.2866932749014493
Energy: 0.2399513563648262
Energy: 0.6658749733428232
Energy: 0.22355872160818827
Energy: 0.22539570439501627
Energy: 0.35256258291405335
Energy: 0.26618577638753466
Energy: 0.2393290392107224
Energy: 0.6257784472211607
Energy: 0.22330036002878692
Energy: 0.22374241383351776
Energy: 0.24636507654734252
Energy: 0.22356645718202459
Energy: 0.2088880925586463
Energy: 0.5749662869740224
Energy: 0.20879122270468095
Energy: 0.26765091148075015
Energy: 0.2696172709473295
Energy: 0.2081332624479837
Energy: 0.26816365884791143
Energy: 0.48414382067286604
Energy: 0.21349326413211406
Energy: 0.21347497379515654
Energy: 0.21308150083304925
Energy: 0.20136887402966822
Energy: 0.2166675221235501
Energy: 0.4870040840628421
Energy: 0.206786876626181
Energy: 0.22877475272894995
Energy: 0.22891154861255553
Energy: 0.19092963081487022
Energy: 0.2767353334627684
Energy: 0.6310660204019429
Energy: 0.26310185543111375
Energy: 0.20203551186676164
Energy: 0.3841211671895364
Energy: 0.21702176553031174
Energy: 0.22052159775812616
Energy: 0.47340265572275514
Energy: 0.00368928570290172
Energy: -0.05352054614183657
Energy: 0.23824719722847096
Energy: 0.004502122088464548
Energy: -0.052088539830503086
Energy: 0.6000681245018082
Energy: -0.05374787321847927
Energy: -0.019550603109623452
Energy: 0.018988870353654097
Energy: 0.08559857066459772
Energy: -0.05506605126542084
Energy: 0.4696731909510915
Energy: 0.2111786048910759
Energy: 0.21884823224199598
Energy: -0.05914877051176384
Energy: 0.22913144272913752
Energy: 0.2021083970057011
Energy: 0.49210957182931797
Energy: 0.23811911982992964
Energy: 0.22962549987592493
Energy: 0.19232191099854856
Energy: 0.202249078326868
Energy: 0.21934212375955683
Energy: 0.48628496125170345
Energy: 0.2131269369078654
Energy: 0.1962862869424131
Energy: 0.20191251316613626
Energy: 0.21355024795288136
Energy: 0.19672863550403966
Energy: 0.6090897908427009
Energy: 0.2579663092530751
Energy: 0.2576958872095843
Energy: 0.20802684032876054
Energy: 0.24802813254086872
Energy: 0.20910104146131045
Energy: 0.6081650935958783
Energy: 0.23436025887958675
Energy: 0.2091942810595776
Energy: 0.22435605381147555
Energy: 0.2145108924988661
Energy: 0.22371848634481759
Energy: 0.5913235523951139
Energy: 0.3523409643192204
Energy: 0.25221252463027805
Energy: 0.24829381956166233
Energy: 0.37669324382653147
Energy: 0.255154903384567
Energy: 0.6524767741893758
Energy: 0.32890673851760477
Energy: 0.32902743126261036
Energy: 0.21645699469813234
Energy: 0.3291527755539091
Energy: 0.25660515353951624
Energy: 0.6112347363344575
Energy: 0.32864187775837445
Energy: 0.33044870212015603
Energy: 0.22591031829868155
Energy: 0.2769917272869714
Energy: 0.33138372942756533
Energy: 0.7104694700726999
Energy: 0.3665577995240887
Energy: 0.36640014783108676
Energy: 0.3293375641720112
Energy: 0.3694181940460484
Energy: 0.37594892511049055
Energy: 0.6873168008044286
Energy: 0.32955881310090773
Energy: 0.3299643281284091
Energy: 0.3611905334643773
Energy: 0.33015581960931273
Energy: 0.3311461097565373
Energy: 0.5977584847850212
Energy: 0.42484269864038027
Energy: 0.4505297705030456
Energy: 0.3502202946045668
Energy: 0.42458362068267314
Energy: 0.2809057425359663
Energy: 0.7060888111482665
Energy: 0.35691601430860004
Energy: 0.3571065293166027
Energy: 0.3526528094970603
Energy: 0.3525587230356234
Energy: 0.3627723801789324
Energy: 0.686344976128802
Energy: 0.34730506388319615
Energy: 0.3580328889520542
Energy: 0.36330719219711965
Energy: 0.3467724508626141
Energy: 0.35826353245093073
Energy: 0.6980418968501819
Energy: 0.28548427058329423
Energy: 0.24073243230466965
Energy: 0.3292222435300826
Energy: 0.2861510435446577
Energy: 0.24069374445031508
Energy: 0.622103911273497
Energy: 0.2258850564414212
Energy: 0.22571721234813744
Energy: 0.1142660543130136
Energy: 0.22573163725026751
Energy: 0.22497089114176277
Energy: 0.5768580236776656
Energy: 0.2088056469521515
Energy: 0.2284747736040568
Energy: 0.2679444064664177
Energy: 0.20931480256465793
Energy: 0.339485417311258
Energy: 0.47336641702308063
Energy: 0.3275434770998774
Energy: 0.3237400488809783
Energy: 0.31017992555466084
Energy: 0.3181600732989035
Energy: 0.323685364010573
Energy: 0.48901027868169233
Energy: 0.2187429693416131
Energy: 0.21881015018832595
Energy: 0.22817609439256253
Energy: 0.24466056737807618
Energy: 0.21082702770137068
Energy: 0.4818434634001491
Energy: 0.1913235819426433
Energy: 0.20213122447474208
Energy: 0.2187892221059835
Energy: 0.19146789683265894
Energy: 0.20179813379985612
Energy: 0.5778323662033561
Energy: 0.018530939089758548
Energy: 0.004843711560640485
Energy: -0.051839129640180885
Energy: -0.0024383120406647383
Energy: -0.05819832844601964
Energy: 0.5992594470824413
Energy: 0.016982085142900435
Energy: 0.005693696371885413
Energy: -0.04446747940513931
Energy: -0.05426949353250094
Energy: 0.0044759865799216
Energy: 0.6522009520172455
Energy: 0.3985111658997377
Energy: 0.4040710792282661
Energy: 0.28668442987184634
Energy: 0.38668161646149973
Energy: -0.5467473210389647
Energy: 0.5574540192147555
Energy: 0.2368954230286209
Energy: 0.22473760505819854
Energy: 0.21154566445661072
Energy: 0.19279402886089975
Energy: 0.22637734307520438
Energy: 0.4851545819487233
Energy: 0.2437782835062985
Energy: 0.22870272904871475
Energy: 0.2344663547372518
Energy: 0.2169815954915871
Energy: 0.22888393467099077
Energy: 0.6267200144529493
Energy: 0.22198008852964474
Energy: 0.20969880308045732
Energy: 0.20856415483691537
Energy: 0.25621750119263126
Energy: 0.20943438669445055
Energy: 0.6709984206369951
Energy: 0.23241624642414585
Energy: 0.2327327488637544
Energy: 0.2087296753395913
Energy: 0.23345971102875207
Energy: 0.20892561554791728
Energy: 0.4875674115503156
Energy: 0.22079342914009323
Energy: 0.22036319488293366
Energy: 0.20932646323057136
Energy: 0.22548657134325142
Energy: 0.22117119458393023
Energy: 0.586208500701334
Energy: 0.32988273796852957
Energy: 0.3530140963520989
Energy: 0.2641992582510986
Energy: 0.32880835780955825
Energy: 0.36245627157254384
Energy: 0.6092490708856773
Energy: 0.3301094230561463
Energy: 0.32903684621959217
Energy: 0.2114951523338642
Energy: 0.3297428791150875
Energy: 0.33050131723301607
Energy: 0.6685227514767783
Energy: 0.2875883130166469
Energy: 0.40242538596044114
Energy: 0.2091289507690433
Energy: 0.28802368059092415
Energy: 0.38656582748055773
Energy: 0.6886794458003953
Energy: 0.3738629558671844
Energy: 0.3378122538401143
Energy: 0.36288529341091996
Energy: 0.3692629577559546
Energy: 0.3574430956645316
Energy: 0.7074668010071734
Energy: 0.3296344783366073
Energy: 0.3301697004737191
Energy: 0.35229429708481313
Energy: 0.329781965150283
Energy: 0.3534431378921012

minimum gb energy = -0.5467473210389647 eV
minimum distance =  2.38078007885965 Angstroms
sigma value = 57


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

Energy: 0.5518560460964403
Energy: 0.4748125565848728
Energy: 0.3840691749355018
Energy: 0.3132496578853335
Energy: 0.4511515707939527
Energy: 0.38681865413668914
Energy: 0.637705459685816
Energy: 0.3044709646062919
Energy: 0.3047224840815846
Energy: 0.2982431954187958
Energy: 0.3089526016628748
Energy: 0.30832024281706016
Energy: 0.7264105361916378
Energy: 0.26066514187829726
Energy: 0.2596648135496433
Energy: 0.32376115573163894
Energy: 0.246785989776156
Energy: 0.21087454909027528
Energy: 0.6416550847727885
Energy: 0.2449787555112993
Energy: 0.19653184906744173
Energy: 0.197398056479371
Energy: 0.30922012669938775
Energy: 0.19618209087104535
Energy: 0.6267518494461662
Energy: 0.21144137738201674
Energy: 0.19736540899170474
Energy: 0.217329193405898
Energy: 0.1977561352226161
Energy: 0.19729840130262424
Energy: 0.5653005327432878
Energy: 0.19639574983289815
Energy: 0.22833680700426878
Energy: 0.22142172618607403
Energy: 0.17663070788841032
Energy: 0.2281875691649921
Energy: 0.5576352240291257
Energy: 0.2998405197424152
Energy: 0.20964832364246438
Energy: 0.2520542800922975
Energy: 0.21122771881512983
Energy: 0.23829823262975666
Energy: 0.5590929045328035
Energy: 0.18378265415556294
Energy: 0.2741120133162681
Energy: 0.20959864443451018
Energy: 0.19002549404395785
Energy: 0.21159857838708448
Energy: 0.5885620790773773
Energy: 0.27162967907115493
Energy: 0.20041964884160873
Energy: 0.43234728507396214
Energy: 0.2620219044796726
Energy: 0.3518516490620505
Energy: 0.6015568271894683
Energy: 0.009627742942696454
Energy: 0.09453628506837913
Energy: 0.26779704865864673
Energy: 0.022486923583369706
Energy: 0.0018350001723181422
Energy: 0.5780915552562961
Energy: 0.4056879808239488
Energy: 0.0007321695247641407
Energy: 0.02661045994250619
Energy: 0.4076448128405864
Energy: 0.001191547700712453
Energy: 0.6491801465138733
Energy: -0.021966232117732416
Energy: -0.015831019388305136
Energy: -0.04210774435020554
Energy: 0.378158169147641
Energy: -0.02019567484100687
Energy: 0.6492304831571623
Energy: 0.4110162051086107
Energy: 0.41135204102014816
Energy: -0.02210849559471256
Energy: 0.4124202378206606
Energy: -0.0469287390725061
Energy: 0.5662855739200573
Energy: -0.043782687601750046
Energy: -0.022009690265129382
Energy: 0.432938721203894
Energy: 0.2453506569734061
Energy: 0.42807516272874735
Energy: 0.5379418175069669
Energy: 0.0006762659515656299
Energy: 0.00108227558560232
Energy: 0.40267155281421263
Energy: 0.08995071047217026
Energy: 0.0014101730031402812
Energy: 0.5641389251514053
Energy: 0.4150893790568496
Energy: 0.09627939369485905
Energy: 0.1050980137251961
Energy: 0.2362195296077287
Energy: 0.1057557178017553
Energy: 0.5761579351288642
Energy: 0.22234882141199885
Energy: 0.18755550161561582
Energy: 0.1617202655396039
Energy: 0.202633749183191
Energy: 0.2077339468671306
Energy: 0.5535940659499333
Energy: 0.20226519753102642
Energy: 0.20192739487693445
Energy: 0.1427407495176943
Energy: 0.22246914596880063
Energy: 0.18814043377081807
Energy: 0.6353443227670228
Energy: 0.28911712590216865
Energy: 0.2733869172396217
Energy: 0.18095450771796645
Energy: 0.19731235361668378
Energy: 0.2592294689216187
Energy: 0.6201518941490404
Energy: 0.34804349867777346
Energy: 0.35026383502632713
Energy: 0.20030248363361988
Energy: 0.40495577700935975
Energy: 0.19731514773289693
Energy: 0.5983738211039079
Energy: 0.17109708913062013
Energy: 0.19774911397367706
Energy: 0.1975027364651311
Energy: 0.2672160620677608
Energy: 0.1973358282466843
Energy: 0.5516411893518024
Energy: 0.18864738055997557
Energy: 0.22906370059857575
Energy: 0.23484231034122485
Energy: 0.2347130576945177
Energy: 0.2157228431128581
Energy: 0.5718139633583248
Energy: 0.2983277064019594
Energy: 0.31222608313090877
Energy: 0.246065695445986
Energy: 0.3168042866873482
Energy: 0.3117041642888307
Energy: 0.6177079438874188
Energy: 0.25008142344316886
Energy: 0.30893767193837224
Energy: 0.21207980300857832
Energy: 0.24632232350291475
Energy: 0.3048645509555979
Energy: 0.6358904512272078
Energy: 0.27126542737929044
Energy: 0.2780637918403248
Energy: 0.2964136766958742
Energy: 0.2546836855230319
Energy: 0.31184938349123037
Energy: 0.6624870474813805
Energy: 0.29902958525587897
Energy: 0.3086681894576039
Energy: 0.30899167570748026
Energy: 0.29882412896971133
Energy: 0.30815414386806605
Energy: 0.5531493344010744
Energy: 0.3144293935062275
Energy: 0.2555479781452079
Energy: 0.26199294857257044
Energy: 0.31470658096755566
Energy: 0.22733482736851027

minimum gb energy = -0.0469287390725061 eV
minimum distance =  2.40201976613132 Angstroms
sigma value = 43


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

Energy: 0.4718527769957353
Energy: 0.3076620453342747
Energy: 0.21132813933253392
Energy: 0.35447387695835264
Energy: 0.16637150741497655
Energy: 0.3274890469197329
Energy: 0.6558875351727663
Energy: 0.19591059138045958
Energy: 0.1955258335702499
Energy: 0.1789978442125852
Energy: 0.19062700921561096
Energy: 0.1832054448797399
Energy: 0.6939402105704017
Energy: 0.2516854825663481
Energy: 0.234191027946573
Energy: 0.07559747879316012
Energy: 0.29632254759259863
Energy: 0.238907089658443
Energy: 0.5977288808124653
Energy: 0.2440162814745365
Energy: 0.23409634533028495
Energy: 0.16364958738488453
Energy: 0.3215653748953045
Energy: 0.22025028471931443
Energy: 0.4697686306609652
Energy: 0.195794650113291
Energy: 0.1958563786624812
Energy: 0.22243226193800048
Energy: 0.19108003514675323
Energy: 0.19579868839195533
Energy: 0.45849220522655554
Energy: 0.12720688022592316
Energy: 0.21029389503093715
Energy: 0.23334656904529327
Energy: 0.13564265959429883
Energy: 0.22735737678747628
Energy: 0.4824355572640605
Energy: 0.2705635515978736
Energy: 0.2762869752206596
Energy: 0.1951217764669465
Energy: 0.22654590145321946
Energy: 0.19561944477372936
Energy: 0.6255105402137578
Energy: 0.21821768537011402
Energy: 0.18882042811797176
Energy: 0.22511543884126956
Energy: 0.2127430124622784
Energy: 0.25275316255146535
Energy: 0.5014438453391439
Energy: 0.24138327560435435
Energy: 0.2501539906825744
Energy: -0.07831457129991228
Energy: 0.20515296402812955
Energy: 0.24891376702498638
Energy: 0.48334311732203333
Energy: 0.20348929141094607
Energy: 0.19211678288283382
Energy: 0.1233401973616193
Energy: 0.19218964057444773
Energy: 0.1923880538416474
Energy: 0.4546083363205161
Energy: 0.15173290010233711
Energy: 0.1536565939850208
Energy: 0.09643062696821461
Energy: 0.14843017860615587
Energy: 0.20608948424471493
Energy: 0.4890601823666517
Energy: 0.19979396594462098
Energy: 0.21911500161512032
Energy: 0.19732964094273983
Energy: 0.18555185016299705
Energy: 0.18366074021041492
Energy: 0.48838318525635604
Energy: 0.2972448836226993
Energy: 0.17549941210271908
Energy: 0.1975463235777742
Energy: 0.2977057039204329
Energy: 0.284963291512243
Energy: 0.4601298712654894
Energy: 0.2003810883640896
Energy: 0.30372217211743713
Energy: 0.3509281533288741
Energy: 0.16143102814803917
Energy: 0.3010988375177962
Energy: 0.4570656230960469
Energy: 0.11913775772331901
Energy: 0.11323867905673338
Energy: 0.22668724918341585
Energy: 0.2917735234824524
Energy: 0.14547835510697638
Energy: 0.45638822336802864
Energy: 0.29380693560253385
Energy: 0.29016922119018834
Energy: 0.11064305450957355
Energy: 0.3187824422933722
Energy: 0.10897276874431
Energy: 0.5253693210158332
Energy: 0.3478148496754473
Energy: 0.2933541056667474
Energy: 0.13093352142347917
Energy: 0.34858591663643684
Energy: 0.12317455904431103
Energy: 0.4535853500821289
Energy: 0.2898482694000735
Energy: 0.2888174094549085
Energy: 0.2934583218851888
Energy: 0.2912044228572782
Energy: 0.1244225767366097
Energy: 0.45586863731741284
Energy: 0.3120282726924104
Energy: 0.31130127677526026
Energy: 0.34833383210935054
Energy: 0.2020063780122904
Energy: 0.31069408787363345
Energy: 0.45427631085174786
Energy: 0.2899512900812831
Energy: 0.2883411919582588
Energy: 0.2938662539777316
Energy: 0.2909549629613932
Energy: 0.1184770319130615
Energy: 0.518227264571395
Energy: 0.192522487054669
Energy: 0.28814825131011296
Energy: 0.14424085028437644
Energy: 0.22824765947299464
Energy: 0.158551484586438
Energy: 0.46997993181013153
Energy: 0.23755803623714444
Energy: 0.16730939315267254
Energy: 0.15901786864562023
Energy: 0.3005655963753076
Energy: 0.1785180557711489
Energy: 0.4674455453964515
Energy: 0.19094866619801185
Energy: 0.1715759419272065
Energy: 0.18697992728305818
Energy: 0.269822225947122
Energy: 0.17253374405235936
Energy: 0.47151032857692166
Energy: 0.19724462446888166
Energy: -0.6172130308823371
Energy: -0.621645518087133
Energy: 0.1016255872058362
Energy: -0.6383166384895683
Energy: 0.46593528474833024
Energy: 0.30297155787952484
Energy: 0.15224435466391187
Energy: 0.2113332451308864
Energy: 0.2949705319805905
Energy: 0.15554393312888287
Energy: 0.4662851201723047
Energy: 0.18975363323917718
Energy: 0.20648558368957864
Energy: 0.210933282764602
Energy: 0.18574515809948225
Energy: 0.20025315146063338
Energy: 0.45688959503385534
Energy: 0.20710416964737352
Energy: 0.20824284475795432
Energy: 0.19550530608761785
Energy: 0.20879675234012235
Energy: 0.22019638792753066
Energy: 0.4897407957302292
Energy: 0.17843940162912025
Energy: 0.18448495090773664
Energy: 0.12627145227537312
Energy: 0.18514917417857826
Energy: 0.18459521770561313
Energy: 0.5444386470547555
Energy: 0.29773581569522967
Energy: 0.19677354664351743
Energy: 0.1582183157016078
Energy: 0.20802560942547738
Energy: 0.20369850917232915
Energy: 0.6625945150716819
Energy: 0.26880398903774017
Energy: 0.2675940977651247
Energy: 0.13914446857455537
Energy: 0.22679799825336872
Energy: 0.2579150027217355
Energy: 0.2190113790608054
Energy: 0.2485240477358646
Energy: 0.22265182467576058
Energy: 0.19583041675064444
Energy: 0.24818263371961446
Energy: 0.195766502743493
Energy: 0.4644754425752648
Energy: 0.20502755320648697
Energy: 0.2240649746297592
Energy: 0.25164681103471337
Energy: 0.218548470765972
Energy: 0.25024283405078035
Energy: 0.4811002707130267
Energy: 0.26331203464665953
Energy: 0.23667929674936147
Energy: 0.23781817387585655
Energy: 0.2442225957874694
Energy: 0.2614070055167645
Energy: 0.6490250658542851
Energy: 0.2594972417274562
Energy: 0.2561156402274513
Energy: 0.1593594623425513
Energy: 0.3525839579992071
Energy: 0.2873295310013399
Energy: 0.7013449348601681
Energy: 0.26626130969614165
Energy: 0.2642103187195513
Energy: 0.1766582362369357
Energy: 0.30994810509928533
Energy: 0.25401163328897813
Energy: 0.6799875484220034
Energy: 0.26557474311291046
Energy: 0.25972486429081604
Energy: 0.1736626388888587
Energy: 0.2483016834923587
Energy: 0.1778589879489665

minimum gb energy = -0.6383166384895683 eV
minimum distance =  2.37497139645211 Angstroms
sigma value = 81


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

Energy: -0.02425515935303999
Energy: 0.0028732914504386716
Energy: -0.023610491989574895
Energy: -0.022250214179274988
Energy: -0.02285753080189582
Energy: -0.023574129587896054
Energy: 0.0032378457754631603
Energy: -0.02337169884921034
Energy: -0.023315193821922195
Energy: 0.004334817187931065
Energy: -0.019756629159789936
Energy: -0.023417680413903224
Energy: 0.002282504612880943
Energy: -0.023489254842376173
Energy: -0.023559886405525764
Energy: 0.0023130671131395652
Energy: -0.02382349381096505
Energy: 0.0025237620207384315
Energy: -0.02074856431407525
Energy: -0.023599956187522263
Energy: -0.023373846173908638
Energy: -0.020240374027985876
Energy: -0.023627950349079784
Energy: 0.0029042553897063277
Energy: 0.0024595402412388523
Energy: 0.0023908096582090266
Energy: 0.004018552916323723
Energy: 0.0032547398190639256
Energy: 0.002105982204634536
Energy: 0.004127063914574567
Energy: -0.02302860612722049
Energy: -0.023209444076240898
Energy: -0.023473654591196314
Energy: -0.021948759424553464
Energy: -0.023254696773149314
Energy: -0.023658337825238508
Energy: 0.005069385730750574
Energy: -0.02344845426072006
Energy: -0.023408158325480283
Energy: 0.003972873775714508
Energy: -0.01898608586404472
Energy: -0.02309771907217947
Energy: 0.003973468014657046
Energy: -0.02369774306246214
Energy: -0.023601825745276493
Energy: 0.002640338326387363
Energy: -0.02383524669136498
Energy: 0.002953330465168975
Energy: -0.022650874740208115
Energy: -0.023456329028872385
Energy: 0.004126779728702026
Energy: -0.021739054013520907
Energy: -0.023676895261869134
Energy: 0.003970047541010636
Energy: -0.023674426480974148
Energy: 0.0024288191438699737
Energy: 0.002746533443337556
Energy: -0.023654784919812422
Energy: 0.002164515033001986
Energy: 0.005256509654310307

minimum gb energy = -0.02425515935303999 eV
minimum distance =  2.52008461981536 Angstroms
sigma value = 3


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

Energy: 0.3708850748599882
Energy: 0.40971795606389
Energy: 0.3534426093769308
Energy: 0.31036939762841875
Energy: 0.4109397861717107
Energy: -0.3971184658314943
Energy: 0.5185783322525378
Energy: 0.3789105447727428
Energy: 0.37236538292226873
Energy: 0.37117253296479663
Energy: 0.38599250144698816
Energy: 0.36952506817985575
Energy: 0.41989495265202537
Energy: -0.7717828159399985
Energy: -0.7333463059260337
Energy: 0.3859483570157631
Energy: -0.8599194963125835
Energy: 0.3702489614234895
Energy: 0.4974234539594937
Energy: -1.1879915984066336
Energy: 0.34708320704673007
Energy: 0.4438275399956949
Energy: 0.32614326867628723
Energy: 0.3697071616103192
Energy: 0.41534278472308267
Energy: 0.387450090710807
Energy: 0.37140519371445835
Energy: 0.34718610156831564
Energy: 0.38375484742645366
Energy: 0.36846656054846344
Energy: 0.3629362252967587
Energy: 0.3816115105025401
Energy: -0.9644276308434636
Energy: 0.3880664753817255
Energy: 0.3795388723681186
Energy: -1.1914884958965912
Energy: 0.5027209725609816
Energy: 0.36009190914754224
Energy: 0.46139146266320674
Energy: 0.43143212011710086
Energy: 0.42394789830694524
Energy: 0.40179192425237725
Energy: 0.45170178793086696
Energy: -1.1801934007252342
Energy: 0.3586231320493354
Energy: 0.4341178120795686
Energy: -1.0831772399398603
Energy: 0.3582260938363935
Energy: 0.41076746700086003
Energy: 0.36061707899026485
Energy: 0.3441143998009769
Energy: 0.3877966990009358
Energy: 0.36473478205346066
Energy: 0.38036811800678144
Energy: 0.39569721456845014
Energy: 0.38028221061478423
Energy: 0.3818791670853693
Energy: 0.3771205492509105
Energy: 0.41451858428574057
Energy: 0.375861399407535
Energy: 0.37896885244640377
Energy: 0.3681445468196979
Energy: 0.36915326597630616
Energy: 0.3433702149588648
Energy: 0.3676498019959372
Energy: 0.34501332089119424
Energy: 0.4356900278158384
Energy: 0.3775797454356178
Energy: 0.3741341001970425
Energy: 0.4367759041665831
Energy: 0.3781434558667852
Energy: 0.36396632866426565
Energy: 0.42546203871132526
Energy: 0.336654750973353
Energy: 0.3550811380789277
Energy: 0.4266097019996923
Energy: 0.34102999244429993
Energy: 0.35388921765491144
Energy: 0.3871787691658944
Energy: -0.8513348931085414
Energy: 0.3564979221246748
Energy: 0.3687602932505782
Energy: -0.7477648803427235
Energy: 0.3618772922109276
Energy: 0.3880899203710141
Energy: 0.36049943026045483
Energy: 0.3596583013829697
Energy: 0.3562490437879493
Energy: 0.357829231785486
Energy: 0.3567070303862266
Energy: 0.3829452166637125
Energy: 0.3438005580041774
Energy: 0.3430275402027086
Energy: 0.3463752093775472
Energy: -0.7750700388393942
Energy: 0.3440283001517118
Energy: 0.3412811889330595
Energy: 0.34870371710185394
Energy: 0.34483195236138486
Energy: 0.34308236433347217
Energy: 0.3472928546638129
Energy: 0.344511038033248
Energy: 0.33929885882125316
Energy: 0.38058381966633725
Energy: 0.34361706922719665
Energy: 0.34095206064931816
Energy: 0.34779502230791726
Energy: 0.3490236111582364
Energy: 0.379181081076784
Energy: 0.3356900805727132
Energy: 0.3415626740288126
Energy: 0.34815291890671723
Energy: 0.39047192253560675
Energy: 0.34174877129008313
Energy: 0.39511908603604656
Energy: 0.35297102084707044
Energy: 0.35448398499135303
Energy: -0.8204526060577858
Energy: 0.3498363201356484
Energy: 0.34771453210382514
Energy: 0.3938215913208338
Energy: 0.34519946236329274
Energy: 0.344569346381355
Energy: -0.7963055291132487
Energy: -0.6094836253167073
Energy: 0.3476312811544061
Energy: 0.3520660563707332
Energy: 0.34568836358466204
Energy: 0.35247983652867637
Energy: 0.35254079478909084
Energy: 0.34728836572025656
Energy: 0.3559484527533277
Energy: 0.3724294340063936
Energy: 0.39163104168680885
Energy: 0.3919048864489565
Energy: 0.37356669120154706
Energy: 0.40053196498332405
Energy: 0.3883333908525855
Energy: 0.3844098933210011
Energy: -0.450529100615389
Energy: -0.8711799978365589
Energy: 0.42674189586567424
Energy: 0.46610388918810075
Energy: 0.4118376117266338
Energy: 0.40815076824358004
Energy: 0.3695580098719743
Energy: 0.3652544780756969
Energy: 0.37202370134612617
Energy: 0.40224333879398944
Energy: 0.3648303129708755
Energy: 0.40407665113467955
Energy: 0.356800278876121
Energy: 0.3606693050722652
Energy: 0.367349878851154
Energy: 0.33337818524944196
Energy: 0.370177504857142
Energy: 0.43277578307147524
Energy: 0.36112828357375487
Energy: 0.36034643216860124
Energy: 0.4252133753810115
Energy: 0.3850222700180734
Energy: 0.37608511419166424
Energy: 0.39817625658547995
Energy: 0.37929946211815996
Energy: 0.37809463947800337
Energy: 0.39486339543136323
Energy: 0.3785711446551102
Energy: 0.3789491113501527
Energy: 0.3748343096284236
Energy: 0.3818789064075163
Energy: 0.3727310576525972
Energy: 0.3412176488005566
Energy: 0.42924703249545254
Energy: 0.3455085569293061
Energy: 0.433000885481675
Energy: 0.38259481863787953
Energy: 0.38221380092164803
Energy: 0.4210665900444953
Energy: 0.435262175944237
Energy: 0.3828683011500089
Energy: 0.3933150409615883
Energy: -0.6644355545772138
Energy: -0.7192531533127737
Energy: 0.38252501699569436
Energy: 0.4295210318043217
Energy: 0.35776460587227765
Energy: 0.4164858556568804
Energy: 0.35924795302007373
Energy: 0.37662588969580335
Energy: 0.3780064954434407
Energy: 0.32237828003515084
Energy: 0.37283833034750824
Energy: 0.4126095011532823
Energy: 0.3946851295416727
Energy: 0.4553545392685051
Energy: 0.4029204976720616
Energy: 0.3945766583675426
Energy: -0.8364166059129513

minimum gb energy = -1.1914884958965912 eV
minimum distance =  2.35327748351897 Angstroms
sigma value = 67


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

Energy: 0.4770064048168016
Energy: 0.4725396068032691
Energy: -1.1343920464561532
Energy: -0.6636029189663532
Energy: -1.4015698902465352
Energy: -1.131074703526427
Energy: 0.5295618863713204
Energy: 0.5693982275985828
Energy: -0.7233155582069407
Energy: -0.787983152543281
Energy: 0.5640961046023858
Energy: -0.7273195354097153
Energy: 0.5535001834330449
Energy: -1.564277221129204
Energy: -1.3315922185635956
Energy: -1.0739508530347133
Energy: -1.6254892286334373
Energy: -1.3240239575349255
Energy: 0.627331361096129
Energy: -1.0479588227418324
Energy: -1.2480692309868702
Energy: -2.147913559478558
Energy: -1.2188466974994012
Energy: -1.3611609258373067
Energy: 0.5057972753229639
Energy: 0.45065323557206655
Energy: 0.4577107193977398
Energy: -1.1982358036849354
Energy: 0.45128006565509765
Energy: -0.728013693791134
Energy: 0.41660396970902136
Energy: -0.8359598528077039
Energy: -0.7264132221846009
Energy: -1.3074925715722137
Energy: -0.7696005408502969
Energy: -1.1726084076690961
Energy: 0.6336648582963629
Energy: 0.44698115564550456
Energy: 0.45425841932770405
Energy: -2.138453901786448
Energy: 0.4457025189381184
Energy: -1.9479108815030115
Energy: 0.5233974033947015
Energy: -0.8634722656469841
Energy: -0.8268833024014774
Energy: -2.191660004466537
Energy: -0.9168794447730998
Energy: -0.7189884152664311
Energy: 0.48719591519809546
Energy: -0.8474570368001364
Energy: -0.8193104017679963
Energy: -0.6017000432534887
Energy: -1.2215028987026655
Energy: -1.5283410493038947
Energy: 0.4869727075038674
Energy: 0.46223655856796164
Energy: 0.4609025215884709
Energy: -1.0033763093904706
Energy: 0.45983515263523417
Energy: 0.4586604185863854
Energy: 0.4603724500492284
Energy: -0.7311822771874165
Energy: -0.7417422178294744
Energy: -0.7312510047688142
Energy: -0.6520626501190974
Energy: -0.7493575810278947
Energy: 0.4991848888869643
Energy: -1.0269642327455861
Energy: -0.7616683259405689
Energy: -0.7412309198932779
Energy: 0.453656263307949
Energy: -0.7377267307693937
Energy: 0.49800072785672417
Energy: -0.746974545964754
Energy: -0.7977590228948261
Energy: -0.8891444042231821
Energy: -0.7261237192460145
Energy: -0.7450554293683042
Energy: 0.46960881060345033
Energy: -0.744253019638822
Energy: -0.7449764483326625
Energy: -0.719518923568569
Energy: -0.7682927938052335
Energy: -0.7373448037373701
Energy: 0.4915195517006126
Energy: -0.7482640030957916
Energy: -0.743705943033139
Energy: -0.7706150153248291
Energy: -0.8802830790461672
Energy: -0.738096740446266
Energy: 0.4924039699936607
Energy: -0.7594056570315754
Energy: -0.7538745924864978
Energy: -1.5273498844936944
Energy: -1.0739660653972454
Energy: -0.758632707818149
Energy: 0.49979670167268203
Energy: -0.7441516255185087
Energy: -0.7310687441824236
Energy: -1.6804767673159726
Energy: -0.6772625373941263
Energy: -0.8558955440759063
Energy: 0.5582228406747627
Energy: 0.45833228588551483
Energy: -0.6011406406608025
Energy: -1.7510489145591672
Energy: 0.4595925538524319
Energy: -2.033091734526694
Energy: 0.4358427578380232
Energy: -0.6721610955412852
Energy: -1.0336814916272103
Energy: -1.0568474994809878
Energy: -0.7575010003609055
Energy: -0.9348603129770502
Energy: 0.46359177988191386
Energy: 0.45879094884596816
Energy: 0.46359873883202807
Energy: -1.327449061860946
Energy: 0.46064341340479487
Energy: -2.274852012323995
Energy: 0.4708607006563991
Energy: 0.4435407081461244
Energy: -0.8544617427284227
Energy: -0.9323400765611257
Energy: 0.42710374710661897
Energy: -0.7778859732934253
Energy: 0.5512682006214236
Energy: -1.431961038705807
Energy: -0.9217167042135477
Energy: -0.5850823151596544
Energy: -1.6102816914152382
Energy: -1.1740374425853914
Energy: 0.5273007876773548
Energy: 0.5663288331523427
Energy: -0.6809132301400151
Energy: -0.6427291334657977
Energy: -0.8808582372442662
Energy: -0.5975299687095138

minimum gb energy = -2.274852012323995 eV
minimum distance =  2.34960067931548 Angstroms
sigma value = 33


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

Energy: 0.34597569643199927
Energy: -0.11823364334343071
Energy: 0.5339523625366275
Energy: 0.5215079990532571
Energy: -0.6271148993043892
Energy: 0.5305738363699692
Energy: 0.6317115407533117
Energy: 0.08110468024531631
Energy: -1.7744166778716057
Energy: -0.9226434832156636
Energy: 0.6793866854776854
Energy: -2.1039766701993265
Energy: 0.7368904776038098
Energy: 0.5185793332173624
Energy: 0.49872978246375027
Energy: -1.6437827778825722
Energy: 0.5192672707366055
Energy: -0.0737681017807665
Energy: 0.6698289620665547
Energy: -0.16107744814271976
Energy: -0.06855579498999963
Energy: -1.7483288547351223
Energy: -0.9063099151834428
Energy: -0.06980556984525395
Energy: 0.6709039182526737
Energy: -0.7400442293532747
Energy: -0.04634549548291725
Energy: -0.1501893376107703
Energy: -2.0973209718251025
Energy: 0.005048001018732762
Energy: 0.532871429858734
Energy: -0.0046596413277631655
Energy: 0.5542188404087302
Energy: -0.288545651224462
Energy: -1.6407789282974077
Energy: -0.26140995735783923
Energy: 0.7350594160749229
Energy: -0.8115794316758121
Energy: -1.7743306545655313
Energy: 0.5424095736805531
Energy: -0.0004833598717431816
Energy: 0.5408550708525468
Energy: 0.6915523567636113
Energy: 0.5491938076752182
Energy: 0.5453516585202844
Energy: 0.5466429652131728
Energy: 0.5514960359510729
Energy: 0.5426034806881775
Energy: 0.5960146995589208
Energy: 0.5704867349182423
Energy: 0.5702709709902675
Energy: 0.5567494016370338
Energy: -0.0027011213431837227
Energy: 0.568497151125628
Energy: 0.5973846630852737
Energy: 0.5517902246767168
Energy: 0.552628451671562
Energy: 0.5362563144557367
Energy: 0.5524702893090698
Energy: 0.5541540999437696
Energy: 0.578685864292265
Energy: 0.5501359093457558
Energy: 0.5604115902670591
Energy: 0.5509301486433873
Energy: 0.538132028999851
Energy: 0.5608357457802637
Energy: 0.6143574128084142
Energy: 0.5592747800863018
Energy: 0.5566066422995025
Energy: 0.5486984470210783
Energy: 0.5380348301540355
Energy: 0.5369335268426334
Energy: 0.6553102502881576
Energy: 0.5506081511542571
Energy: 0.5580053539940459
Energy: 0.5421039924195521
Energy: 0.5485406384716396
Energy: 0.5454813984950083
Energy: 0.5565732361963343
Energy: 0.5455972153711248
Energy: 0.5475697732278899
Energy: -0.014513744375677587
Energy: 0.5436094157072554
Energy: 0.5301367565787454
Energy: 0.5857882710256883
Energy: 0.5598826238610812
Energy: 0.5600443260560444
Energy: -0.9256267752197439
Energy: 0.5504759309391105
Energy: 0.560989567323399
Energy: 0.5859325949471875
Energy: 0.547956547936651
Energy: 0.5464353641481098
Energy: 0.5573489125779999
Energy: -0.7292154173573433
Energy: -0.7646510538309612
Energy: 0.7333509508904283
Energy: 0.5529309224651788
Energy: 0.5472301928866441
Energy: -1.640383876464669
Energy: 0.5556212275606484
Energy: 0.5415158205038861
Energy: 0.7286144779042233
Energy: -2.0520925370399805
Energy: -2.0925863212758347
Energy: -1.8503206370901344
Energy: -0.14566776144349047
Energy: 0.5723671601242364
Energy: 0.49826722048151956
Energy: -0.094847261886133
Energy: -1.2388563148908887
Energy: -1.1613197693405601
Energy: -0.04041829022189305
Energy: -0.9234440381547842
Energy: 0.6339216878254835
Energy: 0.3167144278211419
Energy: -0.08724915913219816
Energy: -0.7847675243062897
Energy: 0.6806914566271657
Energy: 0.004820059740137509
Energy: 0.7329776290288426
Energy: -0.2623907153018729
Energy: -0.092245762063306
Energy: -1.6419427381157454
Energy: -0.2519610273103809
Energy: -0.0656833410250729
Energy: 0.6648742969070692
Energy: 0.5190841071168956
Energy: 0.4965183051908558
Energy: -1.641333902343104
Energy: 0.517086399798397
Energy: -0.06894215621639213
Energy: 0.6738936959212585
Energy: -1.645012988537902
Energy: -1.7700835930588723
Energy: -1.7119934196184694
Energy: 0.5629358065661281
Energy: -1.7749899553091035
Energy: 0.5319255516073818
Energy: 0.004207050957011661
Energy: 0.5538671019846253
Energy: -0.25919257428297016
Energy: -1.6423682515604365
Energy: -0.14050061574265285
Energy: 0.691372574686533
Energy: -2.1044341864556984
Energy: -0.9247615285818593
Energy: -2.1051138219968912
Energy: 0.553716137478454
Energy: 0.5395736331421734
Energy: 0.6914515317706174
Energy: 0.5477869883268668
Energy: 0.5444316742694492
Energy: 0.5534270975086483
Energy: 0.5507003186737859
Energy: 0.5662408399565665
Energy: 0.5951743562763772
Energy: 0.5434113707739802
Energy: 0.5696398202176971
Energy: 0.5361772394210051
Energy: -2.0823435093055034
Energy: 0.5678740607247785
Energy: 0.5981211676635533
Energy: 0.5509731902592648
Energy: 0.5524364466889822
Energy: 0.534627216594323
Energy: 0.5520628623470567
Energy: 0.5536095130259425
Energy: 0.5771290086650945
Energy: 0.5419523108313471
Energy: 0.5508026400704762
Energy: 0.5493775862419416
Energy: -2.083870816835511
Energy: 0.561951690176594
Energy: 0.6144285151913264
Energy: 0.5498578296850316
Energy: 0.5586935220934406
Energy: 0.5478175769568161
Energy: 0.5356569513133231
Energy: 0.548284165475506
Energy: 0.6635851648110637
Energy: 0.5603062957850928
Energy: 0.5446380353617746
Energy: 0.5410096001214623
Energy: 0.550905614297709
Energy: 0.5472785894794334
Energy: 0.5579656492695929
Energy: 0.5459573944116412
Energy: 0.5447394121308455
Energy: 0.514879681168147
Energy: 0.5424819344385221
Energy: 0.5256141269693038
Energy: 0.584345256832521
Energy: 0.5595217779260816
Energy: 0.5601868955685647
Energy: -0.7711790003248838
Energy: 0.558997825104517
Energy: 0.5689527123020416
Energy: 0.7018068414533246
Energy: -0.9246149695405002
Energy: -2.3689023094037083
Energy: 0.6503762700210798
Energy: -0.06723041260643742
Energy: -2.0850127215389787
Energy: 0.7346042159236109
Energy: 0.5519888374226769
Energy: 0.5452802819648468
Energy: -0.04947504815327066
Energy: -0.31355599899028885
Energy: 0.5380242993757546
Energy: 0.8159154682754545
Energy: -2.1033274504421544
Energy: -0.7929922327021005
Energy: -2.1055947863340427
Energy: -2.3682637757716622
Energy: 0.5840783741869178
Energy: 0.4986172647516957
Energy: -0.04463328022964953
Energy: -0.06768327214611616
Energy: -0.9306076800775156
Energy: -1.64171005070418
Energy: -1.159259243080435

minimum gb energy = -2.3689023094037083 eV
minimum distance =  2.3262019295685 Angstroms
sigma value = 41


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

Energy: 0.7690855868131589
Energy: 0.7145220477439739
Energy: 0.7162325923355014
Energy: 0.7061260054997521
Energy: 0.07438643371564577
Energy: 0.7152731431078763
Energy: 0.8373108774923312
Energy: 0.8456357423820231
Energy: 0.839792649643894
Energy: 0.06850816579772782
Energy: 0.8477442313593385
Energy: 0.0726347770824699
Energy: 1.0461286388009976
Energy: 0.7179250681097141
Energy: 0.7160154084427235
Energy: 0.8011504599258253
Energy: 0.71905833692685
Energy: 0.7153467903075178
Energy: 0.8985097966125332
Energy: 0.7168071635837302
Energy: 0.7142014132357902
Energy: 0.8028324367691179
Energy: 0.7217398728473856
Energy: 0.07367772570209628
Energy: 0.7761021500849473
Energy: 0.7367508642527398
Energy: 0.7164086844735071
Energy: 0.08450198732851325
Energy: 0.7406853378372841
Energy: 0.7333443969335942
Energy: 0.7508674864012159
Energy: 0.7156038071970737
Energy: 0.7155270641076482
Energy: 0.6998237620075192
Energy: 0.7160954615349421
Energy: 0.7161024706660607
Energy: 0.8532568355276459
Energy: 0.7495074471171002
Energy: 0.7285138646383469
Energy: 0.7671019484822608
Energy: 0.7504206081977562
Energy: 0.7306863010213646
Energy: 0.8728310970580507
Energy: 0.7165968057002732
Energy: 0.7162296139106243
Energy: 0.7274088614195587
Energy: 0.7156350965503772
Energy: 0.7199862395738726
Energy: 0.7687235186105762
Energy: 0.7180587853421451
Energy: 0.7151871350984941
Energy: 0.7061901464569977
Energy: 0.7218125125755571
Energy: 0.7141743219361759
Energy: 0.7756108429087527
Energy: 0.7191739244975991
Energy: 0.7159364585519086
Energy: 0.7221942849563641
Energy: 0.7213652038665602
Energy: 0.7143400165897185
Energy: 0.7745659711071535
Energy: 0.7345775195558638
Energy: 0.7502124824349158
Energy: 0.7194617760068192
Energy: 0.71173033302905
Energy: 0.7367425266396641
Energy: 0.9935620341189382
Energy: 0.7053478814066972
Energy: 0.7048141568688644
Energy: 0.7301840258101172
Energy: 0.7061258368024927
Energy: 0.7054530452757947
Energy: 0.9932095846461894
Energy: 0.7192201133080219
Energy: 0.08223286854356933
Energy: 0.7198333653843242
Energy: 0.7191623155845899
Energy: 0.7205087735433711
Energy: 0.7271313657494147
Energy: 0.718259800638848
Energy: 0.707234746648549
Energy: 0.693252106251944
Energy: 0.7186197296746594
Energy: 0.7065642803347135

minimum gb energy = 0.06850816579772782 eV
minimum distance =  2.35600840477973 Angstroms
sigma value = 11


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

Energy: 0.9460851096718088
Energy: 1.005005423087793
Energy: 0.007837786662197595
Energy: 0.8609978690938996
Energy: -0.3454245064042302
Energy: 0.9446767303292687
Energy: 1.1186304835240768
Energy: -1.9898753950476693
Energy: 0.8394922806571646
Energy: 0.7974020154618322
Energy: -0.44506906261292867
Energy: 0.8660030761441335
Energy: 1.20932266509625
Energy: 0.863823497752994
Energy: 0.8627202583618732
Energy: 0.8591716443173165
Energy: 0.865703225738463
Energy: 0.8621363955467264
Energy: 0.9294831615951868
Energy: 0.8643145818472323
Energy: 0.8481010273962524
Energy: 0.8377358791895552
Energy: 0.8668427446589824
Energy: 0.8481813064315403
Energy: 0.9458011109464284
Energy: 0.8699389107764415
Energy: 0.8692695715751075
Energy: 0.8563295701772018
Energy: 0.8543946967285706
Energy: 0.8693023861737481
Energy: 0.9356676559334631
Energy: 0.856632523770206
Energy: 0.856675465718509
Energy: 0.8689963331570761
Energy: 0.882549495428018
Energy: 0.8567696021511758
Energy: 0.9617931784154935
Energy: 0.8372523777743416
Energy: 0.8698070419738338
Energy: 0.8656842885702023
Energy: 0.8576372863582273
Energy: 0.8606165961011024
Energy: 1.0268081098371882
Energy: 0.8692322840069394
Energy: 0.8694799304461597
Energy: 0.853494554766966
Energy: 0.8546506050841269
Energy: 0.869544566023899
Energy: 0.9278920768810104
Energy: 0.8641478767312714
Energy: 0.862564185978805
Energy: 0.8647802609659354
Energy: 0.8654413444589625
Energy: 0.8666699884770058
Energy: 0.926005223911104
Energy: 0.8464006829733741
Energy: 0.848542373393901
Energy: 0.8652412907603315
Energy: -0.6640022301696294
Energy: 0.8665028996494198
Energy: 1.0041704194513619
Energy: -0.263574093352909
Energy: 0.8638513906618205
Energy: -0.528725404274971
Energy: 0.8251882319848429
Energy: -0.5767664470825152
Energy: 0.9373423691757433
Energy: 0.8378200198660645
Energy: 0.8437471854984828
Energy: -0.4483324394964117
Energy: 0.8444039740317603
Energy: 0.04356168777911533
Energy: 0.9472488306697492
Energy: 0.7931156188833586
Energy: 0.8447582973922925
Energy: 0.8274849072316969
Energy: 0.7937270705260059
Energy: 0.8018438381812119
Energy: 0.9220699286619768
Energy: 0.8690761091868155
Energy: 0.8693021666195108
Energy: 0.8656143954880126
Energy: 0.8862351919269845
Energy: 0.871959704557064
Energy: 0.9483110191750714
Energy: 0.8706191947954767
Energy: 0.8692520700760992
Energy: 0.8666354527075695
Energy: 0.8721190603403541
Energy: 0.8685111764363005
Energy: 0.9976082180849939
Energy: 0.8717433327014232
Energy: 0.8698097226326156
Energy: 0.8545882756831749
Energy: 0.8697783744471264
Energy: 0.8700442095278994
Energy: 0.9859690513946279
Energy: 0.8712051133987979
Energy: 0.8698708491745596
Energy: 0.899084199964659
Energy: 0.8710042346989653
Energy: 0.8701471275211503
Energy: 0.9101537484796989
Energy: 0.8388627513129234
Energy: 0.8712760931368503
Energy: 0.8352984916119888
Energy: -0.7108688356342077
Energy: 0.8526976201140897
Energy: 0.9562262119316066
Energy: 0.8707581054876942
Energy: 0.8710363247863632
Energy: 0.8763740658504042
Energy: 0.8698553919886486
Energy: 0.8702594348795923
Energy: 0.9386603632381063
Energy: 0.8628507421776338
Energy: 0.8620438313229553
Energy: 0.8665778317442981
Energy: 0.8646763410788603
Energy: 0.8440619519316259
Energy: 1.095885356336752
Energy: 0.8642665548498641
Energy: 0.8002754601373192
Energy: -0.47778145828572777
Energy: 0.8636875906670929
Energy: 0.8458447400468925
Energy: 0.9737190360719896
Energy: 0.8381210084673895
Energy: 0.8460961930897903
Energy: 0.833685482126052
Energy: 0.7552250824865854
Energy: 0.8447825668669815
Energy: 0.9159993526631861
Energy: 0.8734846291278923
Energy: 0.851344673280528
Energy: 0.8546049532433262
Energy: 0.8742976612891816
Energy: 0.8504363422912425
Energy: 1.1049112557972671
Energy: 0.8649113556514477
Energy: 0.8702283232589789
Energy: 0.8555248879979017
Energy: -0.405083028046289
Energy: 0.8711395656278736
Energy: 0.9695892844131763
Energy: 0.8972284002418252
Energy: 0.84248271910114
Energy: -0.43326533939945633
Energy: 0.8456043148054836
Energy: 0.8402089656549383
Energy: 0.9428323911170947
Energy: 0.5882265115109393
Energy: 0.855572479653429
Energy: 0.8705088038786398
Energy: 0.7991827156995122
Energy: 0.869174275963401
Energy: 0.9453540175073476
Energy: 0.8712808354098647
Energy: 0.8698717956622105
Energy: 0.869540207315147
Energy: 0.8713192141612678
Energy: 0.8695661759561617
Energy: 0.9410264978630262
Energy: 0.8710109678407871
Energy: 0.8690422643115349
Energy: 0.8704166410736832
Energy: 0.8918639029243315
Energy: 0.868511001974647
Energy: 0.958167715277675
Energy: 0.8803712225240333
Energy: 0.8556408963973887
Energy: -0.2767411428794387
Energy: 0.8649773351862009
Energy: 0.8642891224029348
Energy: 1.2084837158347095
Energy: 0.8759223360607202
Energy: 0.8675830607477408
Energy: 0.8120395162938981
Energy: 0.824919768799704
Energy: 0.8687405801104342
Energy: 0.9044971035374683
Energy: 0.8877600968674785
Energy: 0.8385549089128482
Energy: 0.8464953615432012
Energy: 0.8762583748344731
Energy: 0.8357226118708306

minimum gb energy = -1.9898753950476693 eV
minimum distance =  2.32956183220474 Angstroms
sigma value = 57


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

Energy: 1.629300771184453
Energy: 0.9975783401220857
Energy: 0.9952518951504702
Energy: 0.994669628720924
Energy: 0.9982697846988982
Energy: 0.9948564378792774
Energy: 1.081881748803649
Energy: 0.9949648836293367
Energy: 0.9950117686443886
Energy: 0.9937039606202959
Energy: 0.9955876678465768
Energy: 0.96197791225177
Energy: 1.0922293970335974
Energy: 0.9411207761602756
Energy: 0.9408349983315396
Energy: 0.9943503155755572
Energy: 0.9422660715591379
Energy: 0.996010191841436
Energy: 1.0791388788413108
Energy: 0.9608088233930782
Energy: 0.9605797977265542
Energy: 0.994350325026572
Energy: 0.9469918760652352
Energy: 0.9948571135203891
Energy: 1.0461131282652247
Energy: 0.9609997346379414
Energy: 0.9580217219447151
Energy: 0.9936428923053405
Energy: 0.995440169125998
Energy: 0.9575379604217176
Energy: 1.0765634417834655
Energy: 0.9929785614718141
Energy: 0.9607849926997848
Energy: 0.9629610915996034
Energy: 0.9933896802604919
Energy: 0.95932404470578
Energy: 1.0939385789124476
Energy: 0.9471364773227147
Energy: 0.9458996621315456
Energy: 0.995451369943021
Energy: 0.9495210250231966
Energy: 0.9597517008048825
Energy: 1.2138647880414435
Energy: 0.963477833023881
Energy: 0.9605311477304032
Energy: 0.9952054912782149
Energy: 0.96432972104472
Energy: 0.9596637540715001
Energy: 1.1049380589001856
Energy: 0.9936430223024885
Energy: 0.9466306496003974
Energy: 0.9489977892561302
Energy: 0.9948696449055733
Energy: 0.9458593993372508
Energy: 1.1041225260648826
Energy: 1.0038102034991399
Energy: 0.946777631313695
Energy: 0.9488963352081642
Energy: 0.9944569551654
Energy: 0.94594535506665
Energy: 1.2130448687404238
Energy: 0.960670380069597
Energy: 0.9608076954762119
Energy: 0.9950231769357746
Energy: 0.964195151807528
Energy: 0.9610542347432658
Energy: 1.0881053396586802
Energy: 0.9412083333141879
Energy: 0.9408225357629484
Energy: 0.9945094376229583
Energy: 0.9423441605860466
Energy: 0.995344440078929
Energy: 1.0785836033714036
Energy: 0.9941977134316297
Energy: 0.9938802736061548
Energy: 0.9952284666098804
Energy: 0.9938101929774616
Energy: 0.9588638776171119
Energy: 1.0783773785572872
Energy: 0.9601401915020356
Energy: 0.958362335940273
Energy: 0.9630969932640989
Energy: 1.0173641744609283
Energy: 0.9578589632323966
Energy: 1.0430959859339584
Energy: 0.9494599989941047
Energy: 0.9567783596091958
Energy: 0.96462411788327
Energy: 0.9463480642551514
Energy: 0.9568565038014131
Energy: 1.2272214347611945
Energy: 0.9507097968319559
Energy: 0.9477715923950796
Energy: 0.9627933354954388
Energy: 0.9527621643020292
Energy: 0.9588233555869932
Energy: 1.080778193397079
Energy: 0.9941692876892207
Energy: 0.9943866864051837
Energy: 1.0153012889964772
Energy: 0.9951863700487393
Energy: 0.9955135756587122

minimum gb energy = 0.9408225357629484 eV
minimum distance =  2.31824898475732 Angstroms
sigma value = 9


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

Energy: 1.1408249680035545
Energy: 0.9645197932346147
Energy: 0.9252711513694882
Energy: 1.0500506745221092
Energy: 0.38351219936556236
Energy: 1.093241892092104
Energy: 1.1949738626170998
Energy: 0.9202546737133342
Energy: 0.9580547468676914
Energy: 0.9001339414625631
Energy: 0.9071638220184567
Energy: 0.92436549930982
Energy: 1.0968840037223566
Energy: 0.14235828727309865
Energy: 0.9675056162370615
Energy: 0.937957918017882
Energy: 0.13927946930756102
Energy: 0.9076003631697868
Energy: 1.0602137556056876
Energy: 0.9520369861676081
Energy: 0.8449244091576043
Energy: 0.8869036530680346
Energy: 0.9518275707079544
Energy: 0.9067610130761408
Energy: 1.0204054218134435
Energy: 0.9437187854068007
Energy: 0.9841514838916694
Energy: 0.7910691812037505
Energy: 0.9371573132671035
Energy: 0.8923763907891153
Energy: 1.019574855017161
Energy: 0.9504342241185877
Energy: 0.9430056971502915
Energy: 0.9299450262056633
Energy: 0.9513914590891245
Energy: 0.9431566583436282
Energy: 1.0604454792638476
Energy: 0.9206755529663625
Energy: 0.9873116839338018
Energy: 0.8597187075997644
Energy: 0.9215437290025019
Energy: 0.9882270491168726
Energy: 1.156832830106027
Energy: 0.8990781094528731
Energy: 0.8762315195557205
Energy: 0.9370220761728337
Energy: 0.8992022233876781
Energy: 0.8763088118765053
Energy: 1.124204672710638
Energy: 0.8968708069781048
Energy: 0.9415390897331263
Energy: 0.957789421695726
Energy: 0.9509403737026676
Energy: 0.9093763397705021
Energy: 1.1066030927942023
Energy: 0.8761461773520824
Energy: 0.875145031267848
Energy: 0.9572802486410715
Energy: 0.8177984906270462
Energy: 0.8761491445443552
Energy: 1.1552545604420765
Energy: 0.9450516834538557
Energy: 0.977257522541523
Energy: 0.9277260147658148
Energy: 0.9551727163387159
Energy: 0.8893181092689182
Energy: 1.0928665397391684
Energy: 0.8255451371587201
Energy: 0.9114027409457937
Energy: 0.9257826675246852
Energy: 0.8252983905738898
Energy: 0.8396707062871157
Energy: 1.0493381216266182
Energy: 0.9066222326517591
Energy: 0.9075743225142809
Energy: 0.9951680891619554
Energy: 0.8695983138282555
Energy: 0.9216141824455871
Energy: 1.1772087507417863
Energy: 0.9109869332394468
Energy: 0.9246860509605408
Energy: 0.9962326386933126
Energy: 0.939899321347136
Energy: 0.9851562423358365
Energy: 1.0898060003303043
Energy: 0.9299389256553521
Energy: 0.9296133862689535
Energy: 0.4427472099362632
Energy: 0.9309096503379011
Energy: 0.8676588389179061
Energy: 1.0427524432907684
Energy: 0.91198420079817
Energy: 0.9042088063251135
Energy: 0.8277615374749216
Energy: 0.9817818375267822
Energy: 0.8922525625362411
Energy: 1.0291116912510097
Energy: 0.8387366170419683
Energy: 0.8395782563290459
Energy: 0.9131161758144466
Energy: 0.8997308299196314
Energy: 0.8814707589755062
Energy: 1.0386968917496084
Energy: 0.9297919379683773
Energy: 0.884348472117207
Energy: 0.9106056524437371
Energy: 0.9285241269947342
Energy: 0.9624148441931252
Energy: 1.0763131231041123
Energy: 0.8849819779422607
Energy: 0.882823179027793
Energy: 0.8158925316847307
Energy: 0.882656376407479
Energy: 0.8798601324237186
Energy: 1.0986431200716544
Energy: 0.8836526513455604
Energy: 0.916429172457417
Energy: 1.0280353395124575
Energy: 0.9199260501297724
Energy: 0.951432761071328
Energy: 1.1074759855621268
Energy: 0.9670979738995973
Energy: 0.9682603414074917
Energy: 0.9018215319518874
Energy: 0.9671884344109432
Energy: 0.8984702390715686

minimum gb energy = 0.13927946930756102 eV
minimum distance =  2.32830854554438 Angstroms
sigma value = 27


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

Energy: 1.8998817603059828
Energy: 0.9676189760064944
Energy: 0.9654476217401927
Energy: 0.8174733871347908
Energy: 0.3494867464489155
Energy: 0.9636891945944439
Energy: 1.1665660177906885
Energy: 0.9259860706229305
Energy: 0.9528508112776057
Energy: 0.9550413245478083
Energy: 0.9341407621356976
Energy: 0.9552710604217346
Energy: 1.0973827893906927
Energy: 0.9124866517638616
Energy: 0.9524666488046686
Energy: 0.93073827301943
Energy: 0.9585226876910162
Energy: 0.9454346015698247
Energy: 1.124018805777304
Energy: 0.9467632897763093
Energy: 0.9480016173985848
Energy: 0.9724992305728773
Energy: 0.9255793543433748
Energy: 0.9514525627407395
Energy: 1.057373045206418
Energy: 0.9637874237031689
Energy: 0.9600126705146953
Energy: 0.9552831803886365
Energy: 0.9498848420447925
Energy: 0.9563099587670513
Energy: 1.0909228376349311
Energy: 0.9494832724394467
Energy: 0.9144806484145998
Energy: 0.9622245044371106
Energy: 0.9488398132040607
Energy: 0.9151381913393988
Energy: 1.0370466648421828
Energy: 0.9735527716247477
Energy: 0.9690580929071161
Energy: 0.9746145551290135
Energy: 0.9728386015872161
Energy: 0.9878263314637951
Energy: 1.1079718283356077
Energy: 1.0031168339853649
Energy: 0.9156257400318342
Energy: 0.949299322474399
Energy: 0.9995186139187198
Energy: 0.9126258991498909
Energy: 1.2984967388767208
Energy: 0.8860308198652886
Energy: 0.8937420447260587
Energy: 0.9745707768055611
Energy: 0.8893700616073706
Energy: 0.9832422671790346
Energy: 1.1395995069063376
Energy: 0.9360470952527837
Energy: 0.8899433316123987
Energy: 0.9365266514307393
Energy: 0.9257885343290755
Energy: 0.8881687140474964
Energy: 1.0891352777950154
Energy: 0.9885089048027589
Energy: 0.988899391796022
Energy: 0.9660180020540657
Energy: 1.005320373318017
Energy: 0.9933040309950709
Energy: 1.1739286305237357
Energy: 0.9883998419992829
Energy: 0.9887815562066327
Energy: 0.978369010511359
Energy: 0.9872479790879393
Energy: -0.04327145929984611
Energy: 1.1574849017431132
Energy: 0.08503106166716816
Energy: 0.11887445509547655
Energy: 0.9892686494258278
Energy: 0.2774930688696628
Energy: 0.934529054114448
Energy: 1.161189109107097
Energy: 1.0005845852687332
Energy: 0.9978440023628035
Energy: 0.9925188568099966
Energy: 1.0033831816905425
Energy: 0.995437218543777
Energy: 1.1812120183782124
Energy: 0.9258120903758192
Energy: 0.9265108641511886
Energy: 0.9851631990442593
Energy: 0.9282892130849334
Energy: 0.9124926163946205
Energy: 1.106532260496523
Energy: 1.0072402235191442
Energy: 1.0131635530561194
Energy: 0.9810837505134811
Energy: 0.9948884909121126
Energy: 1.0102000495061751
Energy: 1.0577047375409043
Energy: 0.9478257966451821
Energy: 0.9673597295522491
Energy: -0.43204157925808284
Energy: 0.9221035221524229
Energy: 0.9635010516683125
Energy: 1.0937556618628712
Energy: 0.9126917901945457
Energy: 0.9151507737750556
Energy: 0.9393453048898697
Energy: 0.9341717544057875
Energy: 0.914145623573384
Energy: 1.136032041826027
Energy: 0.9998860122088913
Energy: 1.000959156089531
Energy: 0.9382360700615174
Energy: 0.9709170099541514
Energy: 1.0036812582610823
Energy: 1.0523828178854118
Energy: 1.0000069666389804
Energy: 1.0011952015386567
Energy: 0.9739098148222811
Energy: 0.9877170613765012
Energy: 0.9954408024752791
Energy: 0.8887609548054417
Energy: 0.9865844932969473
Energy: 0.9859554013535886
Energy: 0.9788959218843913
Energy: 0.9867709124730176
Energy: 0.964851110271414
Energy: 1.0549389462881484
Energy: 0.9234258230665737
Energy: 0.9279283262865221
Energy: 0.41443898104884824
Energy: 0.9229707107966519
Energy: 0.9277584077547315
Energy: 1.0794760801446073
Energy: 0.966027085027568
Energy: 1.018783052060212
Energy: 0.9464327508617622
Energy: 1.0077395368724238
Energy: 0.9201094210247555
Energy: 1.199409419091621
Energy: 0.9181429791115417
Energy: 0.9381038972953845
Energy: 0.9252490795805514
Energy: 0.9611660936831461
Energy: 0.9110238989264113
Energy: 1.1821285821529135
Energy: 0.34054613241418136
Energy: 0.26265219853808386
Energy: 1.0014881034076717
Energy: 0.9260253008000875
Energy: 0.31878271057053176

minimum gb energy = -0.43204157925808284 eV
minimum distance =  2.30159333744307 Angstroms
sigma value = 19


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

Energy: 0.2936354940813734
Energy: 0.8120430088303695
Energy: 0.8921308204158994
Energy: 0.927448526873176
Energy: 0.354989341642992
Energy: 0.9457377547322184
Energy: 1.1577019974473945
Energy: 0.9005353876105486
Energy: 0.8833417842103675
Energy: 0.8820248370512078
Energy: 0.8241816297950296
Energy: 0.8844178803447461
Energy: 1.06013918334689
Energy: 0.9058220209059379
Energy: 0.9026586224620395
Energy: 0.8439657192444544
Energy: 0.8813782216797938
Energy: 0.9026555638744623
Energy: 1.0638270556761902
Energy: 0.8805387289174295
Energy: 0.8835893570100887
Energy: 0.868125890928867
Energy: 0.8789711519627157
Energy: 0.9036945947424024
Energy: 1.0584021166091973
Energy: 0.7634984834637516
Energy: 0.8295534559515435
Energy: 0.9116569378577554
Energy: -0.12705109531281544
Energy: 0.8758592663253566
Energy: 1.0648688070208212
Energy: 0.9079132555557512
Energy: 0.8896741122870266
Energy: 0.8817433002446503
Energy: 0.8800953670339877
Energy: 0.87482540982847
Energy: 1.0447314354961634
Energy: 0.91244941148127
Energy: 0.9133680303142991
Energy: 0.9199514646872603
Energy: 0.9113684531726517
Energy: 0.9070227702521768
Energy: 1.0448874153014
Energy: 0.9078951089296113
Energy: 0.9042976161958114
Energy: 0.8014064449207594
Energy: 0.8952639950590126
Energy: 0.8839535982275347
Energy: 1.0690166328157242
Energy: 0.4807577920578881
Energy: 0.2127030059880155
Energy: 0.8620877567026098
Energy: 0.9018696591224371
Energy: 0.838045171760184
Energy: 1.055260305442176
Energy: 0.8657098901862573
Energy: 0.8620604236425037
Energy: 0.8573744111672629
Energy: 0.864448325937042
Energy: 0.9084645503866765
Energy: 1.0350959175601668
Energy: 0.8956842609749692
Energy: 0.895304870159263
Energy: 0.6061367123685202
Energy: 0.8844830992691618
Energy: 0.8962656681940441
Energy: 1.0898520705543768
Energy: 0.9066242600548625
Energy: 0.9062364431406588
Energy: 0.8900878887920936
Energy: 0.9096258303495305
Energy: 0.9076170032254609
Energy: 1.0779249904706636
Energy: 0.899995801745388
Energy: 0.8831533652852503
Energy: 0.8896378979723085
Energy: 0.8361428924496034
Energy: 0.882012254534107
Energy: 1.1180013685056154
Energy: 0.6058718066437659
Energy: 0.8397385514088993
Energy: 0.9517950436300936
Energy: 0.7250326206869657
Energy: 0.8677317438558225
Energy: 1.0153182571163226
Energy: 0.38153506686189065
Energy: 0.3192174458188314
Energy: 0.8580810366747967
Energy: 0.3668228350967239
Energy: 0.8773086749942886
Energy: 1.0983872252077576
Energy: 0.9079853535679865
Energy: 0.9017179101783361
Energy: 0.8836963482415016
Energy: 0.9073839010663938
Energy: 0.9012245334710239
Energy: 1.0721528425097
Energy: 0.9023055228583824
Energy: 0.9127700989215599
Energy: 0.9038140965757561
Energy: 0.8826322008968894
Energy: 0.911577502806113
Energy: 1.0954470606249325
Energy: 0.779129049614562
Energy: 0.8753274801337441
Energy: 0.9567784002648655
Energy: 0.7835590712131403
Energy: 0.8935099343028376
Energy: 1.0740511624793274
Energy: 0.8898548721895901
Energy: 0.8892494483438912
Energy: 0.31115591383202484
Energy: 0.9233456731022068
Energy: 0.8831157518049783
Energy: 1.080178860472728
Energy: 0.8892005109301574
Energy: 0.8911918700481535
Energy: 0.7784975098091053
Energy: 0.9236321095866686
Energy: 0.885007331715633
Energy: 1.0572994351941702
Energy: 0.8904628159020002
Energy: 0.8916805059467849
Energy: 0.9582418974477371
Energy: 0.8959606465837431
Energy: 0.8785131435568104
Energy: 1.0560558928199995
Energy: 0.9058221859356239
Energy: 0.9136307883588775
Energy: 0.9503952201854595
Energy: 0.824115229238916
Energy: 0.9138517126915789
Energy: 1.0051087851977456
Energy: 0.8750484922191041
Energy: 0.875101471414307
Energy: 0.7668651991192478
Energy: 0.930179979147175
Energy: 0.9336650547423874
Energy: 1.0447309217496048
Energy: 0.913118622949324
Energy: 0.8194794383734532
Energy: 0.6120573070253421
Energy: 0.942423957368483
Energy: 0.8952129634739252
Energy: 1.092093106723924
Energy: 0.83812994681579
Energy: 0.887554446340739
Energy: 0.9089310334538561
Energy: 0.7948751146099992
Energy: 0.9124659646434632
Energy: 1.0630888441798338
Energy: 0.887592204491058
Energy: 0.8863066216632769
Energy: 0.884870754754062
Energy: 0.8381053200265064
Energy: 0.8852720658612224
Energy: 1.058733340643294
Energy: 0.9106746423040741
Energy: 0.908207584818764
Energy: 0.8637132767748466
Energy: 0.8871255675155814
Energy: 0.9068023133942653
Energy: 1.058383305599096
Energy: 0.9390341543544559
Energy: 0.9355086860278375
Energy: 0.9018652743908485
Energy: 0.8121161005595485
Energy: 0.8856671951634884
Energy: 1.0838844143667743
Energy: 0.6059190540906866
Energy: 0.7742604011562833
Energy: 0.9409198188764538
Energy: 0.7957374920694354
Energy: 0.7646815406035797

minimum gb energy = -0.12705109531281544 eV
minimum distance =  2.37379132616098 Angstroms
sigma value = 101


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

Energy: 1.1054519307747754
Energy: 0.8603065781540552
Energy: 0.8646233932329549
Energy: 0.8986589966263447
Energy: 0.9006862940820274
Energy: 0.8882878172355572
Energy: 1.0599662025306065
Energy: 0.8722889418544467
Energy: 0.8755230878630872
Energy: 0.8796094035808727
Energy: -0.13426383771880615
Energy: 0.8760374370619423
Energy: 1.0169645740414643
Energy: 0.8802306855662216
Energy: 0.8734134260058688
Energy: 0.8713948287956625
Energy: 0.8810199919588737
Energy: 0.8712311140803775
Energy: 1.0102007724194997
Energy: 0.8786007446736638
Energy: 0.8776839998432011
Energy: 0.8755740138639531
Energy: 0.8794117028781462
Energy: 0.8708808290865132
Energy: 1.0284087850979118
Energy: 0.8870680173323436
Energy: 0.872380078429105
Energy: 0.8784523133172895
Energy: 0.8737041275875541
Energy: 0.8627601150730763
Energy: 1.041633872210182
Energy: 0.8726097825518999
Energy: 0.8718644792947311
Energy: 0.11136880568689424
Energy: 0.8749244027862465
Energy: 0.8715597436181234
Energy: 1.0371356098740998
Energy: 0.8779353339537843
Energy: 0.8733947176951249
Energy: 0.8640561239964358
Energy: 0.8898968604923801
Energy: 0.870980471711737
Energy: 0.9917577428527258
Energy: 0.8786439460310054
Energy: 0.876376079123457
Energy: -0.17118665664637314
Energy: 0.8901609938587025
Energy: 0.8749593617369152
Energy: 1.027473965883057
Energy: 0.8903385933437934
Energy: 0.7685726951455737
Energy: 0.3813200750109348
Energy: 0.8807725538112684
Energy: 0.32605806880256655
Energy: 1.0286910292481608
Energy: 0.8686947468595237
Energy: 0.8672871532646752
Energy: 0.8928176630007426
Energy: 0.870561310815243
Energy: 0.8671844466287857
Energy: 1.046220753538841
Energy: 0.8766603164522123
Energy: 0.8752650533886379
Energy: 0.8703848351511992
Energy: 0.8823502637456078
Energy: 0.8732205648224317
Energy: 1.0141683120350702
Energy: 0.8790892634510644
Energy: 0.8765883263412483
Energy: 0.8871204121606633
Energy: 0.8802091058993076
Energy: 0.876058800289178
Energy: 1.0372172143209195
Energy: 0.8938722734270758
Energy: 0.8953642675851089
Energy: 0.8894556748622859
Energy: 0.8933627774939013
Energy: 0.8956611174326035
Energy: 1.0327104362528943
Energy: 0.7763863765504294
Energy: 0.8735513311445863
Energy: 0.8903087891151953
Energy: 0.17329950514181663
Energy: 0.8764337006429362
Energy: 1.007711437609126
Energy: 0.7566956300018086
Energy: 0.871626041911866
Energy: 0.8756044444679527
Energy: 0.10954056848473512
Energy: 0.8910793733921846
Energy: 1.018278012031932
Energy: 0.8923618496423422
Energy: 0.8771468618385412
Energy: 0.8759233415676599
Energy: 0.893891699119819
Energy: 0.871401309393535
Energy: 1.0344003598396558
Energy: 0.849835313775005
Energy: 0.8732936915925567
Energy: 0.9060965120865238
Energy: 0.8517476313948824
Energy: 0.8807215206897514
Energy: 1.0586092966028557
Energy: 0.17516826565877455
Energy: 0.8882207004925569
Energy: 0.8639929451570899
Energy: 0.1342909162215405
Energy: 0.8658724067713567
Energy: 1.0190995761542327
Energy: 0.8791348227763599
Energy: 0.8769512986022492
Energy: 0.9086762958782448
Energy: 0.8802164297814576
Energy: 0.8775496932943906
Energy: 1.0023287536490413
Energy: 0.8785459913482003
Energy: 0.8764241186477031
Energy: 0.870842119519858
Energy: 0.8797408723441928
Energy: 0.8757921344298326
Energy: 1.031009785231707
Energy: 0.8705043109310573
Energy: 0.8709387548583362
Energy: 0.8736039637730422
Energy: 0.8703775206518328
Energy: 0.8659134377016576
Energy: 1.038166841153976
Energy: 0.887550665227873
Energy: 0.8759044452599845
Energy: 0.8798151712844567
Energy: 0.8870194115298907
Energy: 0.8766253604460379
Energy: 1.019139218354488
Energy: 0.29086379644366067
Energy: 0.2908286927281044
Energy: -0.04808072917167605
Energy: 0.9006385304639809
Energy: 0.7949180086104883
Energy: 1.0151627729084276
Energy: 0.877826597072017
Energy: 0.8598934381182145
Energy: 0.10850637681328762
Energy: 0.8960296515778984
Energy: -0.1702339947549157
Energy: 1.026254303771443
Energy: 0.8754870326554709
Energy: 0.8901629631925218
Energy: 0.8937082391684907
Energy: 0.8706095905012831
Energy: 0.890226832105991
Energy: 1.027011216285478
Energy: 0.875114796782673
Energy: 0.8925853382582896
Energy: 0.8954754837904496
Energy: 0.8753633145861577
Energy: 0.8920776815349012
Energy: 1.0451600176538003
Energy: 0.8845945504245097
Energy: 0.8826301664687348
Energy: 0.869626459219836
Energy: 0.9042616665280223
Energy: 0.8806266803993573
Energy: 1.0096808133191437
Energy: 0.8842499230196654
Energy: 0.8826800485829726
Energy: 0.8781606141185534
Energy: 0.9058690202341599
Energy: 0.8758827718406502
Energy: 1.038541370001856
Energy: 0.7763798332076071
Energy: 0.7808614480676995
Energy: 0.8903557867359693
Energy: -0.3951020956075102
Energy: 0.25965299620756976
Energy: 1.0392501038112456
Energy: -0.026814468543473458
Energy: -0.12526988531276592
Energy: 0.889598908755124
Energy: 0.28316263486302534
Energy: -0.1253816307685461
Energy: 1.0094754576752667
Energy: 0.8899940787591427
Energy: 0.8924234115079205
Energy: 0.8754473217892554
Energy: 0.8945122293963634
Energy: 0.8926230207035942
Energy: 1.0188667575715664
Energy: 0.8909771565486279
Energy: 0.8906361467794491
Energy: 0.8707349312790031
Energy: 0.8930586850843026
Energy: 0.8912900566458903
Energy: 1.0347792936946483
Energy: -0.058206502778944076
Energy: 0.5513939287892948
Energy: 0.906600491446084
Energy: 0.767471853953299
Energy: 0.5530613587672054

minimum gb energy = -0.3951020956075102 eV
minimum distance =  2.3734445403249 Angstroms
sigma value = 33


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

Energy: 0.018641293601929433
Energy: 0.01982538134171367
Energy: 0.028351337010070494
Energy: 0.02014659680388294
Energy: 1.0487622838560304
Energy: 0.024931212067974013
Energy: 0.019484852096937507
Energy: 0.11370928297770326
Energy: 0.1132039633189666
Energy: 0.11430234529618714
Energy: 0.11564600249275346
Energy: 0.11337388721782961
Energy: 1.3723963466996232
Energy: 1.0424039982542637
Energy: 1.0472119194910219
Energy: 1.0462226649981612
Energy: 1.044430219312871
Energy: 1.042046290362033
Energy: 0.437402119859182
Energy: 0.11370928297770326
Energy: 0.11320396331852046
Energy: 0.11430234529618714
Energy: 0.11564600249230732
Energy: 0.11337388721782961

minimum gb energy = 0.018641293601929433 eV
minimum distance =  2.50643024016788 Angstroms
sigma value = 1