Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_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=3.611098572611809
cohesive_energy=4.242432871290793
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=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.71302687363976e-19, 4.998310445089799e-19, 5.249499697768319e-19, 5.4717215969041195e-19, 5.668757279353439e-19, 5.84355475012284e-19, 5.9983891000326e-19, 6.14719926579852e-19, 6.282999757296359e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.01639832354497866
Energy: 0.017145100491653128
Energy: 0.01731669202513353
Energy: 0.0166263065194647
Energy: 0.6526557555228341
Energy: 0.016768848491369844
Energy: 0.017145100491338845
Energy: 0.10664229896952596
Energy: 0.1064748582073295
Energy: 0.10635278266177636
Energy: 0.10650582717878883
Energy: 0.10741264143249418
Energy: 0.017316692025447816
Energy: 0.1064748582073295
Energy: 0.10732058310900258
Energy: 0.01685839625273376
Energy: 0.10641208244009692
Energy: 0.10711891437473144
Energy: 0.016626306518836134
Energy: 0.10635278266177636
Energy: 0.01685839625273376
Energy: 0.016694916571446856
Energy: 0.10650726008036206
Energy: 0.01681738117301479
Energy: 0.6526557555228341
Energy: 0.10650582717847455
Energy: 0.10641208243946834
Energy: 0.10650726007819698
Energy: 0.10627445716100675
Energy: 0.10635299867016355
Energy: 0.01676884849109048
Energy: 0.10741264143280847
Energy: 0.10711891437382351
Energy: 0.016817381172700503
Energy: 0.10635299867016355
Energy: 0.016896263570297946

minimum gb energy = 0.01639832354497866 eV
minimum distance =  2.54923891954241 Angstroms
sigma value = 1


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

Energy: 1.6653284568563165
Energy: 0.5610257768336993
Energy: 0.4389728489417441
Energy: 0.6754374268721638
Energy: -1.0774082644292473
Energy: 0.4570837318964582
Energy: 1.4025477248476683
Energy: 0.5864249096673457
Energy: 0.5872325100963263
Energy: 0.5852022008483118
Energy: 0.47376168889634673
Energy: 0.5885094241078298
Energy: 0.5771187508853761
Energy: 0.5678666458747729
Energy: 0.5622459894350015
Energy: 0.6767793277224353
Energy: 0.4632868934810879
Energy: 0.5869098173774834
Energy: 1.5124428367815477
Energy: 0.588279074135757
Energy: 0.6575668752672277
Energy: 0.4565207024926828
Energy: 0.6155061934646204
Energy: 0.656334392243319
Energy: 0.6448863759577996
Energy: 0.5864626574634045
Energy: 0.587433924102766
Energy: 0.5843067167475762
Energy: 0.5884107240244084
Energy: 0.5873380167731627
Energy: 1.2953105868567596
Energy: 0.6626154004599548
Energy: 0.6800001544335672
Energy: 0.6785966518746532
Energy: 0.6729151155540838
Energy: 0.6775346806422833
Energy: 1.3821997462341655
Energy: 0.6787041743698149
Energy: 0.6783699283242814
Energy: 0.6785885225090925
Energy: 0.6616265616450093
Energy: 0.6779632058899585
Energy: 1.3208278837706788
Energy: 0.6803181058121288
Energy: 0.6760908928993978
Energy: 0.6703950887564707
Energy: 0.6802694893797357
Energy: 0.6783057977299713
Energy: 1.0332504499574617
Energy: 0.6801084060580063
Energy: 0.6804892474416682
Energy: 0.5869229112981393
Energy: 0.6778183053481893
Energy: 0.6766954817695199
Energy: 1.030581495884745
Energy: 0.5875173219902395
Energy: 0.5879475726135529
Energy: 0.5682771976914313
Energy: 0.5845351838826711
Energy: 0.5877583417012413
Energy: 1.0912658208066843
Energy: 0.6414212425869256
Energy: 0.6394012194053642
Energy: 0.6146448636187619
Energy: -0.3844046512587124
Energy: 0.6663141783107753
Energy: 0.8348452077339792
Energy: 0.5873875539631297
Energy: 0.5874171162934182
Energy: 0.46075819903042187
Energy: 0.6767848583263412
Energy: 0.5737852610775696
Energy: 0.8335315367827404
Energy: 0.5843966495455442
Energy: 0.5854072962568674
Energy: 0.5887208940655032
Energy: 0.5833398904286209
Energy: 0.5883794142573758
Energy: 0.9041515650223986
Energy: 0.5664061968201756
Energy: 0.6522392371182033
Energy: 0.12448606460966385
Energy: -0.3250991349568308
Energy: 0.615285096515313
Energy: 0.8901132935692119
Energy: 0.585436306893896
Energy: 0.5883976692607507
Energy: 0.46406242616428145
Energy: 0.5846151537149742
Energy: 0.5879114583010866
Energy: 0.8907474035548749
Energy: 0.6805669818061301
Energy: 0.6778197525210334
Energy: 0.4786573069231759
Energy: 0.6795833450850081
Energy: 0.6535990403834896
Energy: 1.1551063457537762
Energy: 0.6600820171084597
Energy: 0.6578033716937404
Energy: 0.6612628298530792
Energy: 0.5412250863584939
Energy: 0.652239638463319
Energy: 1.205233282240701
Energy: 0.6799899008575417
Energy: 0.6790894101129704
Energy: 0.6778613495765139
Energy: 0.6783021990474432
Energy: 0.6789770077287036
Energy: 1.172369101177078
Energy: 0.6799833953378527
Energy: 0.6785946252156628
Energy: 0.6781916191033617
Energy: 0.6811598181615129
Energy: 0.6778780446925313
Energy: 0.2972151522604256
Energy: 0.6802360225777017
Energy: 0.6801074042702345
Energy: 0.6786982466417237
Energy: 0.6783142578097168
Energy: 0.6779352468674591
Energy: 1.3636027944991767
Energy: 0.6606103569981682
Energy: 0.6481085093103052
Energy: 0.3942808392073487
Energy: 0.6601914547854991
Energy: 0.6418643026511409
Energy: 1.287059760042652
Energy: 0.6596420038526345
Energy: 0.2351279567242212
Energy: 0.6749592185502897
Energy: 0.5630605429985678
Energy: 0.6780476609121895
Energy: 1.4020144663674226
Energy: 0.5871025304124602
Energy: 0.587534452485387
Energy: 0.48629543449396445
Energy: 0.4741588522171766
Energy: 0.588491233981735

minimum gb energy = -1.0774082644292473 eV
minimum distance =  2.381531158482 Angstroms
sigma value = 33


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

Energy: 1.8483492492389313
Energy: 0.7817168429322917
Energy: 0.7811583660074847
Energy: 0.7522763252826096
Energy: 0.8001500452478847
Energy: 0.7523816071605752
Energy: 1.4316721254677285
Energy: 0.7477140383262562
Energy: 0.7378498500212455
Energy: 0.7382879380457577
Energy: 0.7478319133950402
Energy: 0.7373901066272999
Energy: 1.3367254605490129
Energy: 0.7478333587861239
Energy: 0.7392832265096126
Energy: 0.7355419128573861
Energy: 0.7465367125667436
Energy: 0.7394764070001901
Energy: 1.3906764878522957
Energy: 0.7597971183034906
Energy: 0.7582912409798386
Energy: 0.728705039614081
Energy: 0.7953063999129311
Energy: 0.7396272769132088
Energy: 1.327575538214199
Energy: 0.7385978991588914
Energy: 0.7366815362089737
Energy: 0.7390314302874305
Energy: 0.7472620119721692
Energy: 0.7352406599419469
Energy: 1.387132949471569
Energy: 0.7487291560633582
Energy: 0.7447296351963119
Energy: 0.7431567557589986
Energy: 0.7488083719259265
Energy: 0.7437900845067049
Energy: 1.3870177962367713
Energy: 0.7457370259100742
Energy: 0.7453707570713041
Energy: 0.743205097815149
Energy: 0.7451762665804529
Energy: 0.744857528264183
Energy: 1.1830291496346101
Energy: 0.7306086298039567
Energy: 0.7335335041660759
Energy: 0.7444877373738462
Energy: 0.7311483065255285
Energy: 0.7319133017230758
Energy: 1.0044353760689149
Energy: 0.7326037816684606
Energy: 0.7414692521719505
Energy: 0.7515140043185444
Energy: 0.7329911258785395
Energy: 0.7420594133498652
Energy: 1.0044303494171192
Energy: 0.7374340382417656
Energy: 0.7360439191370043
Energy: 0.7499152811740486
Energy: 0.7387716271926223
Energy: 0.7363990005316353
Energy: 0.8882467113499172
Energy: 0.7358387325039152
Energy: 0.7348817909191852
Energy: 0.7498161114365208
Energy: 0.7349599438932511
Energy: 0.7363662253134213
Energy: 0.8354095749499265
Energy: 0.7323711427523255
Energy: 0.7385552141181745
Energy: 0.7474777747049073
Energy: 0.7325714908028143
Energy: 0.7381370852065773
Energy: 0.835435461576478
Energy: 0.740137835720384
Energy: 0.7396346584672177
Energy: 0.7468821644189758
Energy: 0.7374698838432139
Energy: 0.7387297283481419
Energy: 1.051851826375487
Energy: 0.7293068193390626
Energy: 0.7289869469575488
Energy: 0.746966191311344
Energy: 0.7298539288385839
Energy: 0.7396112676243539
Energy: 1.0051473513506148
Energy: 0.7372254120686198
Energy: 0.7358484209263116
Energy: 0.7493531331622368
Energy: 0.7384394093308168
Energy: 0.7360310515477015
Energy: 1.004817285223381
Energy: 0.7431107365409408
Energy: 0.7427018899560615
Energy: 0.7478400495555607
Energy: 0.7433857299340908
Energy: 0.7433743779332693
Energy: 1.3419335425026668
Energy: 0.7438717292219605
Energy: 0.7442993976716329
Energy: 0.7503375006016876
Energy: 0.743031613275034
Energy: 0.7445878137685379
Energy: 1.176654477868513
Energy: 0.7456777121771468
Energy: 0.7455800320140845
Energy: 0.7310474358470999
Energy: 0.7448463282859653
Energy: 0.7306046274383893
Energy: 1.180745469937805
Energy: 0.7487816846120928
Energy: 0.7441284766678613
Energy: 0.7338617315323088
Energy: 0.7489562918056187
Energy: 0.7429773295514073
Energy: -0.36499787589019017
Energy: 0.799921836408315
Energy: 0.7367476356624933
Energy: 0.739333772689552
Energy: 0.7509528326408941
Energy: 0.7349952569091515
Energy: 1.5953223125504608
Energy: 0.7496495677174847
Energy: 0.7406248622358782
Energy: 0.7344847843555312
Energy: 0.749286274062857
Energy: 0.7327651865291168
Energy: 1.4333527714266998
Energy: 0.7479043454639788
Energy: 0.7392622412135894
Energy: 0.7328103557928797
Energy: 0.7470987708882398
Energy: 0.7383480888350553
Energy: 1.3270242197088753
Energy: 0.7472380409626954
Energy: 0.737987680725422
Energy: 0.7374713432337349
Energy: 0.7496755620937149
Energy: 0.7377269439719142
Energy: 1.389999982085956
Energy: 0.7482041274123732
Energy: 0.7591997747520048
Energy: 0.7316336556206536
Energy: 0.7549867577558156
Energy: 0.7543151306445209
Energy: 1.3277818051673327
Energy: 0.7376786849436057
Energy: 0.7374789722009268
Energy: 0.7376568344554993
Energy: 0.7476328700969335
Energy: 0.7366793543158064
Energy: 1.3883436478777111
Energy: 0.7468104051275871
Energy: 0.7424767327661859
Energy: 0.743581844535585
Energy: 0.7476285688932098
Energy: 0.7413131830191673
Energy: 1.3883808233129993
Energy: 0.7493919000028867
Energy: 0.7443444224196492
Energy: 0.7441791948300513
Energy: 0.7501726616993454
Energy: 0.7447091744841631
Energy: 1.178987548715243
Energy: 0.7323444977427536
Energy: 0.7314739566905656
Energy: 0.7450842607080861
Energy: 0.7331904202631422
Energy: 0.7440008509290067
Energy: 1.0063566021195773
Energy: 0.731060678078139
Energy: 0.7314912745362034
Energy: 0.7491327956354892
Energy: 0.7319223768796137
Energy: 0.7443678407353543
Energy: 1.0060573862648905
Energy: 0.7361266664504954
Energy: 0.7347505520153776
Energy: 0.7982248801558052
Energy: 0.7381315277780571
Energy: 0.7349399554942511
Energy: 1.1293775223900957
Energy: 0.732645943074995
Energy: 0.7326401413726303
Energy: 0.7480873496066585
Energy: 0.7334780030560493
Energy: 0.732704622069568
Energy: 0.8332946834571677
Energy: 0.7320890188703041
Energy: 0.7321870678917108
Energy: 0.7478849098329171
Energy: 0.732419671139027
Energy: 0.7376705799967198
Energy: 0.8380432464265242
Energy: 0.7378016590517379
Energy: 0.7364857891849508
Energy: 0.7473051770008299
Energy: 0.738129782540173
Energy: 0.7367094683292379
Energy: 0.8339647275460279
Energy: 0.7301382173501288
Energy: 0.7293371704829359
Energy: 0.7461744107287938
Energy: 0.7310875566862158
Energy: 0.7292497007942457
Energy: 0.9934817891579107
Energy: 0.7395636348073581
Energy: 0.7386215092103761
Energy: 0.7484736181555302
Energy: 0.7377998452900453
Energy: 0.7382524409929703
Energy: 1.0039421159853466
Energy: 0.7428882199142006
Energy: 0.7409600872686869
Energy: 0.7480723405875491
Energy: 0.7434963969731485
Energy: 0.7409118381924078
Energy: 1.2418547938541469
Energy: 0.7482044356090451
Energy: 0.7444715519030815
Energy: 0.7710864034692644
Energy: 0.7495657512942405
Energy: 0.7441844454279347
Energy: 1.1819570476679635
Energy: 0.7446368623290727
Energy: 0.7435970373599967
Energy: 0.7335828654494682
Energy: 0.7454989213293934
Energy: 0.742320085528901
Energy: 1.1760553724890501
Energy: 0.750365588167859
Energy: 0.745698197720431
Energy: 0.730531491378266
Energy: 0.74897415927747
Energy: 0.7312998278264555
Energy: 1.3234591376078149
Energy: 0.7957346691685138
Energy: 0.7358944997552664
Energy: 0.7386266910190676
Energy: 0.7983343894378633
Energy: 0.7349209094778
Energy: 1.6014837852167088
Energy: 0.7369530481080768
Energy: 0.7329117042961673
Energy: 0.7326890910081845
Energy: 0.7477409125534356
Energy: 0.7324910215775127

minimum gb energy = -0.36499787589019017 eV
minimum distance =  2.37936342331688 Angstroms
sigma value = 51


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

Energy: 1.7161894797109813
Energy: 0.38278921341352934
Energy: -0.1328547331561932
Energy: 0.686011446053289
Energy: 0.5783018212348292
Energy: 0.8303532612380671
Energy: 1.3373553497491504
Energy: 0.5769027638608675
Energy: 0.584560396651943
Energy: 0.577496823907013
Energy: 0.5774656584194163
Energy: 0.659611101955498
Energy: 1.409399037471004
Energy: 0.5748639726269087
Energy: 0.5764347593005874
Energy: 0.6841394466688909
Energy: 0.5741162087544502
Energy: 0.6858698129086741
Energy: 1.409559826543621
Energy: 0.18744984918797647
Energy: 0.7292644571986723
Energy: 0.6723147793728159
Energy: 0.33864346762549985
Energy: 0.6495909381936392
Energy: 1.2026644367875945
Energy: 0.6852033061253122
Energy: 0.5687801529203197
Energy: 0.574602134410699
Energy: 0.6854176548940768
Energy: 0.5758550460266362
Energy: 1.162166465920465
Energy: -0.17048087986904573
Energy: 0.5900095680743938
Energy: 0.6150030162060153
Energy: 0.6142341971856013
Energy: 0.5888861910412165
Energy: 1.1622184332829995
Energy: 0.5708695938677567
Energy: 0.571477332658602
Energy: 0.6148474549855811
Energy: -0.16992579101016778
Energy: 0.5673930395656019
Energy: 1.253791756730554
Energy: 0.5587237121193376
Energy: 0.559542166758429
Energy: 0.5714243436891323
Energy: 0.7506705256042888
Energy: 0.6647587615998337
Energy: 0.869555310297804
Energy: 0.7903813618560988
Energy: 0.5598055910268473
Energy: 0.5740080801446837
Energy: 0.5568601251023029
Energy: 0.5868112065820862
Energy: 0.869057443212432
Energy: 0.5773688907147918
Energy: 0.7081955922676265
Energy: 0.3040648192980442
Energy: 0.7043731242698774
Energy: 0.6558993507675107
Energy: 0.8857072417962479
Energy: 0.6729798878571208
Energy: 0.6723572418341671
Energy: 0.5729858622931129
Energy: 0.694741686006981
Energy: 0.6726517022803239
Energy: 0.952118299169434
Energy: 0.20269889455776974
Energy: 0.20510550144564854
Energy: 0.5726249807626178
Energy: 0.6436836411912065
Energy: 0.6829426585229781
Energy: 0.9542295717617056
Energy: 0.7850835570052146
Energy: 0.7852713640993336
Energy: 0.5814317109515983
Energy: 0.8069483412874444
Energy: 0.7858728781611343
Energy: 1.193831615912901
Energy: 0.7068879572865961
Energy: 0.677252692278636
Energy: 0.6738526527367291
Energy: 0.707320647249779
Energy: 0.6863919038978828
Energy: 1.2721070212509584
Energy: 0.5837238779409678
Energy: 0.6910347515446275
Energy: 0.7766701724586172
Energy: 0.5807276119872893
Energy: 0.7853668228519942
Energy: 1.27348346692149
Energy: 0.5724037909955912
Energy: 0.5814887805537685
Energy: 0.5655432622831938
Energy: 0.5756732358032528
Energy: 0.5637919841792679
Energy: 1.3859720742622212
Energy: 0.5739173851861596
Energy: 0.5794104634088896
Energy: 0.7133503503162508
Energy: 0.5765964045693358
Energy: 0.6802468199519935
Energy: 1.5444621229613087
Energy: 0.5867387028217403
Energy: 0.6132272300062531
Energy: 0.7518449882284591
Energy: 0.5756488525338137
Energy: 0.6151874509494124

minimum gb energy = -0.17048087986904573 eV
minimum distance =  2.38681301320759 Angstroms
sigma value = 19


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

Energy: 1.4376726418482604
Energy: 0.8489704526797628
Energy: 0.8931808127373888
Energy: 0.778742013220495
Energy: 0.8174380731527243
Energy: 0.7889995207995186
Energy: 1.3174309544605924
Energy: 0.8178427643997572
Energy: 0.817790908016217
Energy: 0.8466428143799121
Energy: 0.8178558482534819
Energy: 0.8542620306885046
Energy: 1.0679151818167916
Energy: 0.817970569071279
Energy: 0.817857946578357
Energy: 0.8317232627341602
Energy: 0.8180688740758468
Energy: 0.8184917143477899
Energy: 1.0841325598459925
Energy: 0.927076931818665
Energy: 0.9266399066210254
Energy: 0.8147572493224715
Energy: 0.9264373181161816
Energy: 0.8182934253251434
Energy: 0.7563314571818592
Energy: 0.854470980715044
Energy: 0.8539293388976062
Energy: 0.8047345334659074
Energy: 0.8559947894560576
Energy: 0.8677522129075103
Energy: 1.0806827370995302
Energy: 0.8018204535762371
Energy: 0.8478315711913448
Energy: 0.8545354112922375
Energy: 0.8015875148347499
Energy: 0.8489936078585326
Energy: 1.0816933051493471
Energy: 0.8464558012702842
Energy: 0.8471784546288023
Energy: 0.8539831510932755
Energy: 0.8046462764005046
Energy: 0.8592588923483746
Energy: 0.9242509093861163
Energy: 0.8582847955586556
Energy: 0.8018992202213048
Energy: 0.8183638988849896
Energy: 0.7740923771234144
Energy: 0.8022088170202053
Energy: 0.8178665639591786
Energy: 0.8535931511094269
Energy: 0.856105975252436
Energy: 0.817957590941855
Energy: 0.8536644146996339
Energy: 0.802614419886369
Energy: 0.8197077910267863
Energy: 0.8470032420103539
Energy: 0.8670279195797266
Energy: 0.818131398912271
Energy: 0.8051022372738691
Energy: 0.8175886374243896
Energy: 0.8188579137580417
Energy: 0.8125313354591381
Energy: 0.810691862520091
Energy: 0.8189497551970223
Energy: 0.8128432348296499
Energy: 0.817209071147143
Energy: 1.1333864450275566
Energy: 0.8050187690261723
Energy: 0.867690647199591
Energy: 0.817617051918115
Energy: 0.8052510978459976
Energy: 0.8540986760443009
Energy: 0.8035624190107136
Energy: 0.8539415679343184
Energy: 0.854000440424275
Energy: 0.8059936866451016
Energy: 0.8540599849393492
Energy: 0.8485516584028425
Energy: 1.132991647527161
Energy: 0.8596568029704407
Energy: 0.8591796652975983
Energy: 0.8046971819924421
Energy: 0.8272924452513498
Energy: 0.8497498566213784
Energy: 1.3517549844757182
Energy: 0.8180603741381131
Energy: 0.8176794812339044
Energy: 0.8564839107106598
Energy: 0.8180162591939465
Energy: 0.8566420096620369
Energy: 1.3548249613923937
Energy: 0.8180155767954838
Energy: 0.8029052127629477
Energy: 0.7777681617278773
Energy: 0.8191499613321792
Energy: 0.801830637618387
Energy: 0.7883106377234161
Energy: 0.8180282542158619
Energy: 0.8175645332520168
Energy: 0.8048261633995657
Energy: 0.8194028603531831
Energy: 0.853936958051887
Energy: 1.0850764955441377
Energy: 0.8178400336195252
Energy: 0.8176896690960078
Energy: 0.8158635909014077
Energy: 0.8180083690277391
Energy: 0.8186256543091563
Energy: 1.0860110665841958
Energy: 0.8179383332984812
Energy: 0.8184053556504298
Energy: 0.8163936526273683
Energy: 0.8178646036667947
Energy: 0.8552410377678167
Energy: 1.0798774630156394
Energy: 0.8017086885107808
Energy: 0.8490142181112772
Energy: 0.8047820092219856
Energy: 0.8016270506913558
Energy: 0.8464376697449382
Energy: 1.0804999942000382
Energy: 0.8544399024043164
Energy: 0.8547133399490665
Energy: 0.8308015533588072
Energy: 0.8558568558106445
Energy: 0.8493550331651608
Energy: 1.079561954357914
Energy: 0.8671304366574882
Energy: 0.8541938712222003
Energy: 0.8553442007216192
Energy: 0.8048739657318017
Energy: 0.8538879177962736
Energy: 0.9824021243802014
Energy: 0.7754528264585691
Energy: 0.7742477069236267
Energy: 0.924444085305538
Energy: 0.7751528636130542
Energy: 0.8032011576451135
Energy: 0.8178587897304
Energy: 0.8674071341620435
Energy: 0.8538164271200142
Energy: 0.8178094106046218
Energy: 0.8538437601423992
Energy: 0.8176177342237542
Energy: 0.8180212638689757
Energy: 0.867848647716598
Energy: 0.8678561689183137
Energy: 0.8179601813327202
Energy: 0.8475269914382826
Energy: 0.8178149951105077
Energy: 0.8053143903020454
Energy: 0.8128251987161472
Energy: 0.8105212892937989
Energy: 0.8193904648388881
Energy: 0.8134608388990104
Energy: 0.8176886777562756
Energy: 1.1320412376311837
Energy: 0.8048345166102954
Energy: 0.8469879461802595
Energy: 0.8179267707189342
Energy: 0.8045299286994994
Energy: 0.8539678139093455
Energy: 0.801850666965588
Energy: 0.8562201954892751
Energy: 0.8583508375149949
Energy: 0.8015860349250532
Energy: 0.8540392654361435
Energy: 0.8485264451006844
Energy: 1.0684020067934406
Energy: 0.856093790697652
Energy: 0.8582348279865674
Energy: 0.8046902125571668
Energy: 0.8538162872194955
Energy: 0.8511375267435916
Energy: 1.3528733179045254
Energy: 0.8180830603800772
Energy: 0.8028991802416785
Energy: 0.7744789621736868
Energy: 0.8182252116252653
Energy: 0.8577667212253488

minimum gb energy = 0.7563314571818592 eV
minimum distance =  2.38117534982912 Angstroms
sigma value = 27


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

Energy: 1.1632721142564975
Energy: 0.6186020463146797
Energy: 0.9386680161622772
Energy: 0.5861414231324573
Energy: 0.6396504292181012
Energy: 0.87849717589621
Energy: 0.6955570262806184
Energy: 0.639047619377302
Energy: 0.6468781056230558
Energy: 0.6462475652683792
Energy: 0.6383596953936157
Energy: 0.6460728863091107
Energy: 1.3729852261440403
Energy: 0.6393201542968222
Energy: 0.6457893764317925
Energy: 0.6416773453445157
Energy: 0.6402537254671301
Energy: 0.6483866809535016
Energy: 1.2023856851264993
Energy: 0.7722218655316112
Energy: 0.7717945686316501
Energy: 0.6444089001396408
Energy: 0.7716949364535122
Energy: 0.757744770520601
Energy: 1.0175682816160219
Energy: 0.6202311129297919
Energy: 0.6483781778929723
Energy: 0.643429366882265
Energy: 0.6208322048619115
Energy: 0.6481895271797904
Energy: 0.8777852141277548
Energy: 0.6204448433586187
Energy: 0.6167537343009474
Energy: 0.8042409402204194
Energy: 0.6019737848470376
Energy: 0.6169590616343043
Energy: 0.8075082295501246
Energy: 0.6461843350068671
Energy: 0.6457707840926341
Energy: 0.7412386897773513
Energy: 0.6453285488167656
Energy: 0.6428399634150626
Energy: 0.9815669191796489
Energy: 0.6429146899141979
Energy: 0.6443164440738302
Energy: 0.9373448304094001
Energy: 0.6264052153323562
Energy: 0.6402307537199535
Energy: 0.9467307480503141
Energy: 0.6431150569950976
Energy: 0.6331536304054259
Energy: 0.6425016079444942
Energy: 0.6438112517784075
Energy: 0.6448948324728453
Energy: 0.7644126499870024
Energy: 0.6435202410011138
Energy: 0.6461231849417617
Energy: 0.6437665183961201
Energy: 0.6447183874982357
Energy: 0.6454479139787048
Energy: 0.9470701857491862
Energy: 0.6756609751137477
Energy: 0.6339104900589757
Energy: 0.6450162320775424
Energy: 0.6761509906690242
Energy: 0.6350508790582745
Energy: 0.6955637344861334
Energy: 0.6429768516835688
Energy: 0.6446217734581423
Energy: 0.646828983158694
Energy: 0.6431042035373844
Energy: 0.644385980758148

minimum gb energy = 0.5861414231324573 eV
minimum distance =  2.40969515306746 Angstroms
sigma value = 9


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

Energy: 0.8390388701646494
Energy: 0.1385225021002124
Energy: 0.42176545910345636
Energy: 0.6322066447412334
Energy: 1.5761981626051331
Energy: 0.7036011665223051
Energy: 0.9565732560053138
Energy: 0.4838975074080619
Energy: 0.5609406271976923
Energy: 0.5382799086576842
Energy: 0.5190847921486621
Energy: 0.5496431431403052
Energy: 1.0713687697028742
Energy: 0.5260546593877468
Energy: 0.5283170344147688
Energy: 0.5079751077170672
Energy: 0.5315793978584962
Energy: 0.5313093957321157
Energy: 1.0700826351855859
Energy: 0.6101338814575863
Energy: 0.6103133576645352
Energy: 0.49497503200664744
Energy: 0.525053183827894
Energy: 0.6121822620980493
Energy: 0.6163992943098557
Energy: 0.5002603160330197
Energy: 0.5029672435516404
Energy: 0.563213501807654
Energy: 0.5142296830218228
Energy: 0.548369029453314
Energy: 0.767281621516481
Energy: 0.509374201262201
Energy: 0.514036364008518
Energy: 0.5413884003793544
Energy: 0.4808222834156887
Energy: 0.5148086354791188
Energy: 0.6720190385400946
Energy: 0.5207236418785318
Energy: 0.5378240612296497
Energy: 0.4810142584436473
Energy: 0.5176159423983433
Energy: 0.5249035359533775
Energy: 0.8600579110409364
Energy: 0.5046987381958304
Energy: 0.6116795971215078
Energy: 0.6521953211727063
Energy: 0.5097386686079108
Energy: 0.5164073808216451
Energy: 0.5706168285540756
Energy: 0.5125121802772348
Energy: 0.518481349583074
Energy: 0.5228015095613681
Energy: 0.5067193139600116
Energy: 0.5231196643823938
Energy: 1.2403609113876561
Energy: 0.6590573160241878
Energy: 0.611965667379794
Energy: 0.4387489720794106
Energy: 0.7682851512880833
Energy: 0.5178508843274157
Energy: 1.2369601691601972
Energy: 0.5189078028734985
Energy: 0.5231277789850308
Energy: 0.47600381603401637
Energy: 0.5245694622529158
Energy: 0.5239984858151199
Energy: 0.9585345893327055
Energy: 0.508523206662925
Energy: 0.5476657339945132
Energy: 0.48853478643556514
Energy: 0.4593378557060882
Energy: 0.5256023927152618
Energy: 1.0500813209635085
Energy: 0.4371538178327371
Energy: 0.5217603645137505
Energy: 0.46415331905341767
Energy: 0.48061625585863466
Energy: 0.24642437025267463
Energy: 0.9579980238578989
Energy: 0.5387269800538391
Energy: 0.5493390250771241
Energy: 0.5290880702480809
Energy: 0.5387483192648158
Energy: 0.5269498291346082
Energy: 0.6831533369518147
Energy: 0.4999573744717725
Energy: 0.5058799912472267
Energy: 0.5254539780576394
Energy: 0.5003608545020289
Energy: 0.605334367464181
Energy: 0.6846276963358009
Energy: 0.5479333387081093
Energy: 0.5274330366783778
Energy: 0.535233890604638
Energy: 0.5496595492439639
Energy: 0.5455304573466637
Energy: 0.6803890820242755
Energy: 0.48556539587558656
Energy: 0.5168747153581738
Energy: 0.526441840100474
Energy: 0.48470868338506873
Energy: 0.5354691665440846
Energy: 0.7063331056623321
Energy: 0.4624216466353181
Energy: 0.490353516660601
Energy: 0.554696939624072
Energy: 0.37300764688683763
Energy: 0.5475772004542264
Energy: 0.825203738540692
Energy: 0.5777882899378255
Energy: 0.5765480929372986
Energy: 0.554767330313567
Energy: 0.573895883661947
Energy: 0.5753585837330903
Energy: 0.7921870294238614
Energy: 0.5265696516329766
Energy: 0.5410510012572596
Energy: 0.5486132108597436
Energy: 0.526874431430489
Energy: 0.5411652711726447
Energy: 0.6060940789945825
Energy: 0.5421715285437884
Energy: 0.5461853554234788
Energy: 0.5666574332827167
Energy: 0.5421305004710855
Energy: 0.5744993454386464
Energy: 0.8390992071894602
Energy: 0.5174439839988064
Energy: 0.4978725439040461
Energy: 0.48175587801407693
Energy: 0.5350243139788474
Energy: 0.45253969014612644
Energy: 0.8445007893490082
Energy: 0.48031489244042735
Energy: 0.5370637576751356
Energy: 0.5198155021456824
Energy: 0.5170374562254587
Energy: 0.5374133204036077
Energy: 0.9656469978678135
Energy: 0.5267302070800465
Energy: 0.5234794021591623
Energy: 0.5427881137095943
Energy: 0.5353369775078606
Energy: 0.5646699810389644
Energy: 1.0723332723689876
Energy: 0.4978232135522005
Energy: 0.508366808880956
Energy: 0.5945561214121807
Energy: 0.5251874223719151
Energy: 0.516052022343607
Energy: 0.9655024458523594
Energy: 0.5306110768245517
Energy: 0.5280541139549234
Energy: 0.5491495696160732
Energy: 0.5350979955894645
Energy: 0.527085067094241
Energy: 0.8621460795193926
Energy: -1.1097639900821359
Energy: 0.03217221121324174
Energy: 0.7506076559867421
Energy: -0.04431941233179107
Energy: 0.6114623261889962
Energy: 0.6710655712981741
Energy: 0.5223225800385571
Energy: 0.5269683680666403
Energy: -0.45657110033279874
Energy: 0.5220210081938946
Energy: 0.5487400722340736
Energy: 0.670505688957316
Energy: 0.5153794377568162
Energy: 0.5189852721106679
Energy: 0.5270637788547505
Energy: 0.5370199751324453
Energy: 0.5231680083778274
Energy: 0.6935303659946319
Energy: 0.5232146845568074
Energy: 0.6071087931397198
Energy: 0.6089676518860719
Energy: 0.5090880847670565
Energy: 0.5230535948221233
Energy: 1.2350872710594722
Energy: 0.5184873146585728
Energy: 0.5226411987935722
Energy: 0.5161083798733421
Energy: 0.5262980250387049
Energy: 0.5253302687958729
Energy: 1.2425091755588178
Energy: 0.6598559703911184
Energy: 0.6598889561980149
Energy: 0.45182971746612177
Energy: 0.6518046949416563
Energy: 0.5171553578575928
Energy: 0.9629782393627874
Energy: 0.4388903081727443
Energy: 0.5249141508028373
Energy: 0.5176960962081208
Energy: 0.48095162678954406
Energy: 0.5407485891138641
Energy: 1.043752636663469
Energy: 0.687653426745656
Energy: 0.5206872345534831
Energy: -0.2747983412889222
Energy: 0.6677065298419207
Energy: 0.5385951234970696
Energy: 1.1057458442093224
Energy: 0.5290693319042319
Energy: 0.5518611577479787
Energy: 0.5042468319634983
Energy: 0.5377995539551356
Energy: 0.547136916721066
Energy: 0.7312951733018613
Energy: 0.5383252164131818
Energy: 0.5225628329377523
Energy: 0.6039421101057142
Energy: 0.5363359870910216
Energy: 0.6107389407291591
Energy: 0.7294020284692398
Energy: 0.5240500091678839
Energy: 0.5229954482479563
Energy: 0.6118939280213149
Energy: 0.5122351017944524
Energy: 0.5295332244309757
Energy: 0.6807314100517907
Energy: 0.5318369590327245
Energy: 0.5323594639395628
Energy: 0.5189764550634045
Energy: 0.5284073606733914
Energy: 0.5747138193932761
Energy: 0.6442368970034411
Energy: 0.6794469665589691
Energy: 0.6792455818322142
Energy: 0.6802142215370683
Energy: 0.680379217945075
Energy: 0.5734935906744463
Energy: 0.8245881487040863
Energy: 0.5334909059474138
Energy: 0.5333671312774557
Energy: 0.559099010956886
Energy: 0.5339026077550039
Energy: 0.56312336567694
Energy: 0.7906546042951773
Energy: 0.5415983524905896
Energy: 0.5497966128803489
Energy: 0.5352734283172381
Energy: 0.5031995081498248
Energy: 0.5499045702867379
Energy: 0.8257593805756525
Energy: 0.5417238819459864
Energy: 0.5415121055111569
Energy: 0.5447121404168694
Energy: 0.541636346757257
Energy: 0.5478691890870632
Energy: 0.9723654324735506
Energy: 0.5163198082327489
Energy: 0.5353540776347372
Energy: 0.5201787733571802
Energy: 0.5525826696334427
Energy: 0.5377978993020447

minimum gb energy = -1.1097639900821359 eV
minimum distance =  2.39668701063902 Angstroms
sigma value = 57


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

Energy: 0.7814389132437556
Energy: 0.5694451434226309
Energy: 0.28389022191575664
Energy: 0.28227775895054136
Energy: 0.5165486965143584
Energy: 0.6130600262423564
Energy: 0.5962531200696864
Energy: 0.4247657522919428
Energy: 0.4267302683429619
Energy: 0.4210897613568066
Energy: 0.43455831423223945
Energy: 0.42635033629699715
Energy: 0.4322370223075772
Energy: 0.7573448664886826
Energy: 0.4291651845354049
Energy: 0.4512913243181217
Energy: 0.43691113904101003
Energy: 0.4220734850129706
Energy: 0.6955684452335921
Energy: 0.42252111048469343
Energy: 0.4560745553648027
Energy: 0.6909495959990993
Energy: 0.6872328894917257
Energy: 0.6902723166479993
Energy: 0.7100256985780792
Energy: 0.42730087602452466
Energy: 0.42772830778215154
Energy: 0.6788520734382737
Energy: 0.2797295761783136
Energy: 0.7122092827545795
Energy: 0.6497969496995408
Energy: 0.44418577122116737
Energy: 0.44697352731953305
Energy: 0.6774101253515864
Energy: 0.28355311871308825
Energy: 0.28345991532467907
Energy: 0.41136758136058527
Energy: 0.6876889936200185
Energy: 0.42815244869327695
Energy: 0.7222758221386713
Energy: 0.702919837510571
Energy: 0.16524565853672282
Energy: 0.8222430873410104
Energy: 0.828725603635484
Energy: 0.7917656931265958
Energy: 0.71335074792594
Energy: 0.7224560258997177
Energy: 0.8245930375089686
Energy: 0.8647909554863088
Energy: 0.8455128896715877
Energy: 0.7843141043792309
Energy: 0.8611694892022322
Energy: 0.8247036191778347
Energy: 0.7980827195684085
Energy: 0.39142583437736045
Energy: 0.7706381763854124
Energy: 0.2838711273501959
Energy: 0.28437045882189244
Energy: 0.4314931400846551
Energy: 0.2836983072972381
Energy: 0.3227082486644971
Energy: 0.8160236012272188
Energy: 0.8510529169156098
Energy: 0.2844478733866806
Energy: 0.8286744198900965
Energy: 0.28435377061055084
Energy: 0.8607709840608413
Energy: 0.8002022115930816
Energy: 0.6259959820123707
Energy: 0.8101666994785639
Energy: 0.803637797097432
Energy: 0.8176313639496766
Energy: 0.8073375200662405
Energy: 0.3356782125775016
Energy: 0.7702805763951669
Energy: 0.43999212428303847
Energy: 0.788750127360651
Energy: 0.7870987226270897
Energy: 0.5812922610426301
Energy: 0.6832188285405234
Energy: 0.4711579723047381
Energy: 0.43038581199910997
Energy: 0.4220850171422846
Energy: 0.6886853264905876
Energy: 0.75478735689045
Energy: 0.28218882565768816
Energy: 0.2832137134264575
Energy: 0.693464037016437
Energy: 0.44824262505830087
Energy: 0.4508044794767112
Energy: 0.7584478425005488
Energy: 0.6800106932931723
Energy: 0.6834046342983735
Energy: 0.6896368937560389
Energy: 0.4267843055934055
Energy: 0.6959960679583524
Energy: 0.7007242714706124
Energy: 0.6364141790226772
Energy: 0.370429815057072
Energy: 0.7033582405784998
Energy: 0.4314936812593203
Energy: 0.4407229766761594
Energy: 0.7101117624100434
Energy: 0.4482839668769947
Energy: 0.4328861304321527
Energy: 0.45856554362299173
Energy: 0.43419973406803125
Energy: 0.6891234469397347
Energy: 0.6412229718046246
Energy: 0.42913016742837706
Energy: 0.423416517263127
Energy: 0.2860008248707965
Energy: 0.4231847105600985
Energy: 0.423295520122172

minimum gb energy = 0.16524565853672282 eV
minimum distance =  2.399358719082 Angstroms
sigma value = 11


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

Energy: 1.182831825184661
Energy: 0.906127155592102
Energy: 0.7493629969531966
Energy: 0.7132239730836636
Energy: 0.8393898181707051
Energy: 0.7513127341622291
Energy: 0.35110340892491115
Energy: 0.1176005653583445
Energy: 0.1405462002607804
Energy: 0.14859758622929808
Energy: 0.18124017955749636
Energy: 0.1204568828191284
Energy: 0.30842664877329207
Energy: 0.07613410924424009
Energy: -0.24039815804885334
Energy: 0.1265493927383994
Energy: 0.13303359361241443
Energy: 0.13601264585693162
Energy: 0.30890812107734805
Energy: 0.12784518883718218
Energy: 0.1609750627636581
Energy: 0.1319996081868494
Energy: -0.34175684401325424
Energy: 0.15914603004400737
Energy: 0.19938505349130692
Energy: 0.44119345957716627
Energy: 0.4429475481188473
Energy: 0.12215246708537518
Energy: 0.43463885444282974
Energy: -0.10243313702376046
Energy: -0.0628489118230781
Energy: 0.4298693599784881
Energy: -0.12136034538655861
Energy: 0.6140593850846898
Energy: 0.050484542574002575
Energy: -0.5461933104614849
Energy: 0.1289350627996833
Energy: 0.13283474553942176
Energy: 0.13287368539202635
Energy: 0.14081975879230418
Energy: 0.2885417083496602
Energy: 0.16181585151391156
Energy: 0.14535152421268677
Energy: 0.20738228330884517
Energy: 0.4784011013664238
Energy: 0.14071609075927186
Energy: 0.23021332969174305
Energy: 0.4800398443970384
Energy: 0.16843967261754705
Energy: 0.137501402717543
Energy: 0.13503788996338603
Energy: 0.1285354214725226
Energy: 0.0959392232503024
Energy: 0.13487016361063867
Energy: -0.29840277124079906
Energy: 0.3010773348464485
Energy: 0.15206966939020794
Energy: -0.3108327000132743
Energy: 0.6716424832552829
Energy: 0.6303827628879086
Energy: 1.1175797858615668
Energy: 0.4551177481882823
Energy: 0.45466958514811123
Energy: 0.4509028034041097
Energy: 0.19981026150116116
Energy: 0.43883814654005365
Energy: -0.16956213489911195
Energy: 0.14406742406518844
Energy: 0.22641806717877852
Energy: 0.397433071221916
Energy: 0.02562199655939229
Energy: 0.2567301882465024
Energy: 0.5288656356022394
Energy: 0.27940046529554996
Energy: 0.36177576407751283
Energy: 0.3625957247667931
Energy: 0.02897147785435586
Energy: 0.4864955543344201
Energy: 0.8134545159149803
Energy: 0.5804364509574154
Energy: 0.5816006072874328
Energy: 0.5821260549729161
Energy: 0.5836406835358395
Energy: 0.5815135326350269
Energy: 0.9338640099678928
Energy: 0.5576989558469089
Energy: 0.5588488724100151
Energy: 0.46020589822154634
Energy: 0.5534761559434003
Energy: 0.6772945585544582
Energy: 1.1234699220489939
Energy: 0.5820512666269507
Energy: 0.5809892820460518
Energy: 0.584103582017587
Energy: 0.1279973789380086
Energy: 0.5835154021461517
Energy: 0.8847949852309542
Energy: 0.35145432066589655
Energy: 0.4315429241817628
Energy: 0.35231403102099484
Energy: 0.6018132924120365
Energy: 0.45400124400069414
Energy: 1.1557235935329728
Energy: 0.5885469768717865
Energy: 0.5838879832449569
Energy: 0.10232731990737426
Energy: 0.6762580837161147
Energy: 0.582343008231837
Energy: 1.0572345716691554
Energy: 0.22577473878723017
Energy: 0.13170376383908955
Energy: 0.05331416475284962
Energy: -0.2035912344994378
Energy: 0.13366653523148053
Energy: 0.36319526595353435
Energy: 0.6331065688190034
Energy: 0.5910768954712848
Energy: 0.20180753339507745
Energy: 0.37262287442572306
Energy: 0.428137831447322
Energy: 1.1111845760550816
Energy: 0.12707748715986777
Energy: 0.12761161157955064
Energy: 0.4474167471514353
Energy: 0.5805004471749814
Energy: 0.44668766020216005
Energy: 0.8459580345321316
Energy: 0.21197417081879183
Energy: 0.6322322734147886
Energy: 0.662370694865729
Energy: 0.031261283349440686
Energy: 0.4921785825118239
Energy: 0.3502734173444416
Energy: 0.4464370628670946
Energy: 0.3067982716633774
Energy: 0.13437654334667584
Energy: 0.1249598756838696
Energy: 0.4411280353448408
Energy: 0.2597277134092519
Energy: 0.26497992416830113
Energy: 0.28431334203972425
Energy: 0.22775644062253017
Energy: 0.11567558597565922
Energy: 0.27854608298409245
Energy: 0.37074516983395733
Energy: 0.14004745967560497
Energy: 0.28731116351526714
Energy: 0.020435459180263914
Energy: 0.1583723796323434
Energy: 0.27984232361456896
Energy: 0.3589250763734036
Energy: 0.1263013252394937
Energy: 0.13424764934409628
Energy: 0.5750534277696866
Energy: 0.17577554384229493
Energy: 0.18368918776870696

minimum gb energy = -0.5461933104614849 eV
minimum distance =  2.39361937074106 Angstroms
sigma value = 41


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

Energy: 0.7066339826889309
Energy: 0.5743145590234191
Energy: 0.7129777355043884
Energy: 0.5700401288571106
Energy: 1.7807833204846972
Energy: 0.5640479942962555
Energy: 0.38277878210084026
Energy: 0.1572160831228027
Energy: 0.1496265996231595
Energy: 0.16409552222501772
Energy: 0.15994683171254376
Energy: 0.15392217708828762
Energy: 0.3172113232774017
Energy: 0.16000603784507625
Energy: 0.16203507076275178
Energy: 0.16078256069139416
Energy: 0.15545344923221832
Energy: 0.1616832729732269
Energy: 0.3167791519849306
Energy: 0.16041206890086324
Energy: 0.1613371932931953
Energy: 0.1604979732231479
Energy: 0.15013252342844327
Energy: 0.15598191806966089
Energy: 0.47562213463628955
Energy: 0.09385433562408807
Energy: -0.18718376809601445
Energy: 0.1468465657337175
Energy: 0.1366818074056641
Energy: 0.1475751937386752
Energy: 0.9224476328755195
Energy: -0.24119184097179838
Energy: -0.13910600741562326
Energy: 0.18998816828532483
Energy: 0.03900224822279634
Energy: 0.5172883874527406
Energy: 0.2228390763862187
Energy: 0.1551932454467563
Energy: 0.14650742638992073
Energy: 0.14628109581014373
Energy: 0.14919190517202624
Energy: 0.14944808067742438
Energy: 0.3774639318222096
Energy: 0.19085573664103533
Energy: 0.5979069034076532
Energy: -0.02873273280335714
Energy: 0.13413670372918585
Energy: 0.1505973560386766
Energy: 0.15787588734603258
Energy: 0.14947596574027996
Energy: 0.1484697034431884
Energy: 0.1684228728954732
Energy: 0.1597396837835986
Energy: 0.1497127170667434
Energy: -0.2682227908882142
Energy: 0.3392142258333171
Energy: -0.26789559649537703
Energy: 0.1478565198270063
Energy: 0.4700972239516389
Energy: 0.13991530785863635
Energy: -0.2602072514221658
Energy: 0.48255080792180305
Energy: -0.08559935568516278
Energy: 0.15129858755449657
Energy: 0.4820825821329679
Energy: 0.38640695165701916
Energy: 0.449950492200267
Energy: 0.13661552471193553
Energy: -0.03053809546025338
Energy: 0.33216517751872726
Energy: 0.1381020765481203
Energy: 0.4809342268253793
Energy: 0.5524491542780849
Energy: 0.8494119175325449
Energy: 0.28064303259851775
Energy: 0.4212004986523126
Energy: 0.138381989856006
Energy: 0.41673254132691784
Energy: 0.4247111102784608
Energy: 0.1485483224252174
Energy: 0.15573973491247023
Energy: 0.1613514414466811
Energy: 0.16292332351456545
Energy: 0.14859927459084496
Energy: 0.37467682249821277
Energy: 0.5885770590566503
Energy: -0.03165795316134494
Energy: 0.1926516904676735
Energy: 0.585284715073227
Energy: 0.17860299068870683
Energy: 0.3180930933987137
Energy: 0.14762221459596434
Energy: 0.14850908166702434
Energy: 0.15606495264816195
Energy: 0.15755005234537878
Energy: 0.14674814987739299
Energy: -0.4913295223626135
Energy: -0.009159920086135235
Energy: -0.020391003006945817
Energy: 0.15130751669378587
Energy: 0.33182437534447734
Energy: -0.11035642150743552
Energy: 0.3851469497569289
Energy: 0.1717090882632594
Energy: 0.14689113524987327
Energy: -0.022704496532105278
Energy: 0.15619288211506674
Energy: -0.03161971614840426
Energy: 0.31740409035687844
Energy: 0.15954803525448735
Energy: 0.1630119701375603
Energy: 0.14684184842519218
Energy: 0.15525742839218326
Energy: 0.14736248499704074
Energy: 0.3173841388427011
Energy: 0.16149978301772108
Energy: 0.14849609873875777
Energy: 0.16010614424410535
Energy: 0.15996918744519983
Energy: 0.15571591024632042
Energy: 0.47492803189416877
Energy: 0.15499982882105875
Energy: 0.14960644339063575
Energy: 0.16468981053770948
Energy: 0.15476647478006134
Energy: 0.1476061647673936
Energy: -0.15478046249594346
Energy: -0.09461270709412704
Energy: 0.6029501781062401
Energy: 0.26703445300966117
Energy: -0.22635677233414483
Energy: 0.5989405036349467
Energy: 0.21596549831153466
Energy: 0.14833516984010317
Energy: 0.15534178447378838
Energy: 0.1603088271049837
Energy: 0.15623601672806078
Energy: 0.15714528889429163
Energy: 0.37773470840729817
Energy: 0.5867796655438653
Energy: 0.1485854989437836
Energy: 0.21731766100394342
Energy: 0.586908362941124
Energy: -0.02985983640496756
Energy: 0.07044117740019165
Energy: 0.1500841499309883
Energy: 0.15482999502542616
Energy: 0.1575264675069386
Energy: 0.15463186613776997
Energy: 0.15507621120447504
Energy: -0.3811504725274462
Energy: 0.4819881321297355
Energy: 0.1100641015526595
Energy: 0.15178712543059564
Energy: 0.48175266628099406
Energy: 0.38623757862296426
Energy: -0.21463390228776427
Energy: 0.33129080554000134
Energy: -0.022764397688511136
Energy: 0.14765361513822212
Energy: 0.1749185191053874
Energy: 0.08309357710224746
Energy: 0.3879401759125193
Energy: 0.07315555336676709
Energy: 0.38631917289240025
Energy: 0.4804703136795441
Energy: -0.06832936207123488
Energy: 0.38592082392074534
Energy: 0.5805937978553155
Energy: 0.2958310819777556
Energy: -1.2153670906284348
Energy: 0.44423147121274337
Energy: 0.3921185368546723
Energy: -1.2131172304540896
Energy: 0.39530754769207366
Energy: 0.3868821334746785
Energy: 0.38706543976053204
Energy: 0.37255052418638507
Energy: 0.3869170407074477
Energy: 0.393077431431474
Energy: 0.37374787537780096
Energy: -0.02878380757061821
Energy: 0.21493394624971757
Energy: -0.22882106615813366
Energy: 0.4219887907383033
Energy: 0.21666637039924316
Energy: 0.3759567210486476
Energy: 0.17789672253464917
Energy: 0.14722116562854598
Energy: -0.03104933910223469
Energy: 0.18919323550360537
Energy: 0.14669970417530415
Energy: 1.138261552212543
Energy: 0.14697729979092078
Energy: -0.0432565625858675
Energy: -0.4958189570095407
Energy: 0.06492709676474676
Energy: -0.031118692161490352

minimum gb energy = -1.2153670906284348 eV
minimum distance =  2.40346800103442 Angstroms
sigma value = 33


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

Energy: 0.648388998031529
Energy: 1.0650182517681965
Energy: 1.063973850338051
Energy: 0.498000969085403
Energy: 0.6989247947060139
Energy: 1.0768995346726866
Energy: -1.551240060188756
Energy: -0.051339848221222235
Energy: -0.6858991383548066
Energy: -0.6557629993486025
Energy: -0.7421875975528625
Energy: -0.052730081373143785
Energy: -0.030174876048619296
Energy: -0.6526540306474509
Energy: -0.05535855067173943
Energy: -0.6979386558147462
Energy: -0.8368371245833596
Energy: -0.05266483444378485
Energy: -0.7769975495405164
Energy: -0.7070166238589618
Energy: -0.05495581854990922
Energy: -0.05107148894194444
Energy: -0.6112379541832261
Energy: -0.05147369845481618
Energy: 0.7488305827474694
Energy: -1.012555487481554
Energy: 0.4199580120482169
Energy: -0.763803283227443
Energy: -1.007761060288861
Energy: 0.42185979710368493
Energy: 0.8905795736115991
Energy: -0.8061641526601253
Energy: 0.42716824662638725
Energy: -0.748852860285937
Energy: -0.9609264158145311
Energy: -0.7944654829125588
Energy: 0.5355286064737
Energy: 0.4171949817559311
Energy: -0.6568717107525813
Energy: -0.05077703963400093
Energy: 0.41827697318133444
Energy: -0.7898593112946614
Energy: -1.2471480098204173
Energy: -0.7486819662941262
Energy: -0.937931732296057
Energy: -0.9054963745612089
Energy: 0.7743319481447277
Energy: -0.5121570682291151
Energy: 0.5348201719677201
Energy: 0.4248392354913176
Energy: 0.419435543214829
Energy: 0.4218124488598175
Energy: 0.41655060194883503
Energy: 0.4204688118077617
Energy: 0.5406475652925394
Energy: -0.08153594810712506
Energy: 0.7073431010275112
Energy: -0.6630904415812213
Energy: -0.695544027031767
Energy: 0.7117102306886384
Energy: 0.5395667442104283
Energy: 0.41722482753078255
Energy: -0.7939720472513067
Energy: -0.706444272002851
Energy: 0.7177531344177156
Energy: -0.05285578379963413
Energy: 0.8909176121253928
Energy: -1.0137166411898757
Energy: -0.9175239859322785
Energy: 0.7186273783140046
Energy: -0.1815871937659832
Energy: -0.5112600331696946
Energy: 0.7758991451996122
Energy: 0.018254473135023416
Energy: -0.9086144675514081
Energy: 0.7260371977438435
Energy: 0.02172370014735208
Energy: 1.0172188582049275
Energy: -0.6189691380802586
Energy: -0.6542820090193435
Energy: -0.705038673380938
Energy: -0.05082041973157082
Energy: -0.04515535078859369
Energy: -0.05179821149154999
Energy: 0.006468763948532191
Energy: -0.09087629566084388
Energy: -0.055236294536791394
Energy: -0.8450420128541936
Energy: -0.8465651868277196
Energy: -0.052284577814153806
Energy: -0.32711952884469847
Energy: -0.09514502333945776
Energy: -0.6881358562808334
Energy: -0.05074822858450198
Energy: -0.5371953796815837
Energy: -0.8376144407929849
Energy: -1.2607918987891793
Energy: 0.7325912939796335
Energy: 0.7208844561775187
Energy: -0.9018227987552779
Energy: -0.7459086152459743
Energy: 0.4281138612358486
Energy: 0.551549668033812
Energy: -0.07400315550376824
Energy: 0.4213676047087577
Energy: -1.0149951814692482
Energy: -0.04890219431160571
Energy: 0.4216087166636087
Energy: 0.8040994862833788
Energy: -0.9205581192603283
Energy: -0.919814509630969
Energy: -0.07165280238506445
Energy: -1.1145899530726908
Energy: 0.4132675408382724
Energy: 0.028661512119831273
Energy: -0.9241540328203935
Energy: -0.5120513057542566
Energy: -0.07276129900932436
Energy: -0.9182799440670314
Energy: -0.05176166701223176
Energy: 0.7547072939150405
Energy: 0.42471843391447095
Energy: -0.7905317178120138
Energy: 0.7150978044771773
Energy: -0.04956839689359738
Energy: 0.4247647452223904
Energy: 0.14288688265990288
Energy: 0.6847330614992121
Energy: 0.7282577504253067
Energy: -0.06520394255706168
Energy: -0.8311964827114088
Energy: -0.66623981828221
Energy: -0.8163428309683111
Energy: -0.04913345362353859
Energy: -0.8429071282229376
Energy: 0.4168460837240949
Energy: -0.6003373244756783
Energy: -0.7373289381223717
Energy: -1.4741901725736946
Energy: 0.7250512842376244
Energy: 1.0453451541707806
Energy: 0.010895884185741948
Energy: 0.7235344670691912
Energy: 1.0145697353751988
Energy: -0.6508305261104758
Energy: -0.049766746883299795
Energy: -0.7674792462968011
Energy: -0.6001337224436512
Energy: -0.2731885900012626
Energy: 0.4211025801517823
Energy: -0.7026156777260195
Energy: -0.703917260492046
Energy: -0.05828770749135197
Energy: -0.05053750540418294
Energy: -0.045529442086409015
Energy: -0.05246727438735722
Energy: -0.5131012401628785
Energy: -0.7914384062802706
Energy: -0.6633742997483467
Energy: -0.6963483358484849
Energy: -0.7601644448320181
Energy: -0.05058203675214771
Energy: 0.7523167401651091
Energy: -0.7880038044924119
Energy: -0.6839569695441753
Energy: 0.6896515584731172
Energy: -0.9472614233313701
Energy: -0.7076439965905209
Energy: 0.8867479408432626
Energy: 0.42231827294025626
Energy: 0.4280012854104019
Energy: 0.7184771216921224
Energy: -1.0143097103509422
Energy: 0.720470518235579
Energy: 0.5375883308145094
Energy: 0.4175908600409529
Energy: -0.7428915891795506
Energy: -0.05004361889331101
Energy: 0.41622666589399754
Energy: -0.7111369591817637
Energy: -1.0305002961654899
Energy: 0.7661942536979516
Energy: -1.1689031457726158
Energy: -1.0240693760846293
Energy: 0.759360803283217
Energy: -1.1061944872485932
Energy: 0.5347791247813221
Energy: 0.4249368659554282
Energy: 0.4253235472112378
Energy: 0.412773126573082
Energy: 0.4159704423324222
Energy: 0.41976197748888217
Energy: 0.5399673006681187
Energy: 0.7065739178362177
Energy: 0.7118819188385314
Energy: -0.6892742181459504
Energy: 0.7069546714035707
Energy: -0.05214290799198444
Energy: 0.7165742743220999
Energy: 0.7062055959013894
Energy: 0.7114980739975315
Energy: -0.6866088523698208
Energy: 0.709421493625785
Energy: -0.05199537303790264
Energy: 0.8916372182087867
Energy: -1.04916428028218
Energy: -0.9366130702640257
Energy: -0.2739610298113801
Energy: -0.8051653789192202
Energy: 0.4219177258526651
Energy: 0.7751712507579667
Energy: 0.4222005012557423
Energy: -0.9184783612051188
Energy: 0.7259350295152762
Energy: 0.010205482777928845
Energy: 1.0154345877332778
Energy: -1.0418168200885134
Energy: -0.0495876333405418
Energy: -0.7959437787953674
Energy: -0.05084569237762413
Energy: -0.050828947959613374
Energy: -0.05821601374426081
Energy: 0.5638570929793756
Energy: -0.09063861172232286
Energy: -0.18281882339579403
Energy: 0.47323784784067013
Energy: -0.7302918739896582
Energy: -0.047454671576309136
Energy: -0.0738842461396022
Energy: -0.7857354558451283
Energy: -0.6766089244450758
Energy: -0.05156615173036479
Energy: -0.05346124761638117
Energy: -0.08434828466979546
Energy: 0.5513321461813002
Energy: 0.725917577823405
Energy: -0.2818426173619655
Energy: -0.8108831994353122
Energy: 0.7298719157819626
Energy: -0.7958334881756411
Energy: 0.5508300414423571
Energy: -0.047472870890239285
Energy: 0.4220679388757457
Energy: -0.10664367116699223
Energy: -0.26976839528239627
Energy: 0.42225421247225375
Energy: 0.7997553826790987
Energy: -0.9286483022945254
Energy: -0.019972006109201437
Energy: 0.7055459264734985
Energy: -1.0285509873547634
Energy: -0.05262487106929228
Energy: -0.7116789018752827
Energy: -0.930036745804309
Energy: -1.02307823794201
Energy: -0.07217050040131696
Energy: -0.8812574907103535
Energy: -1.0339777440706863
Energy: 0.4885968203601605
Energy: 0.4202796759952405
Energy: 0.4201671409747191
Energy: 0.4030527864480871
Energy: 0.4183567531129164
Energy: 0.42035329334676647
Energy: 0.8119234356424996
Energy: 0.684453834332823
Energy: 0.730291934940321
Energy: 0.7742517014860094
Energy: 0.683890961774645
Energy: 0.7754975960918108
Energy: -0.1258568193303539
Energy: -0.7321883798263668
Energy: -0.05247042593609903
Energy: 0.7145470132678594
Energy: -0.05357652196830687
Energy: -0.05220536815745908
Energy: -0.9393362241118434
Energy: 0.7247633284327208
Energy: 1.0157506474323876
Energy: 0.007033236929443737
Energy: 0.7245478249190228
Energy: 1.0200727564824204

minimum gb energy = -1.551240060188756 eV
minimum distance =  2.38131845553467 Angstroms
sigma value = 67


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

Energy: 1.1016333963850178
Energy: 0.5517201591946789
Energy: 0.5517086012664417
Energy: 0.6309422337664549
Energy: -0.15133715624811694
Energy: 0.551088505933471
Energy: -0.015145252990178054
Energy: 0.4478670286377573
Energy: 0.447283037610805
Energy: 0.4505204240516565
Energy: 0.4512419362064058
Energy: 0.44718399399612785
Energy: -0.0024921079700564617
Energy: -0.11100757098430208
Energy: -0.15146075515901028
Energy: -0.12238182590696348
Energy: -0.08303939710508998
Energy: -0.15365171208684822
Energy: -0.0010113071174642145
Energy: -0.03335034761238043
Energy: -0.12761602933993074
Energy: -0.03790710018794944
Energy: -0.038309079884617625
Energy: -0.020045321496204815
Energy: 0.5429224549512961
Energy: 0.4479047629586731
Energy: 0.44735485191053276
Energy: 0.4453277277845648
Energy: 0.4552264260615272
Energy: 0.4470419049080253
Energy: 0.5417310855552319
Energy: -0.026376022016728222
Energy: 0.44869430108634906
Energy: 0.4446322356990115
Energy: -0.015756199634841383
Energy: 0.44949992309104136
Energy: -0.015303542336357192
Energy: 0.45116906847528593
Energy: 0.4471503924779054
Energy: -0.1195380567992342
Energy: 0.45045790850916095
Energy: 0.44880079460056166

minimum gb energy = -0.15365171208684822 eV
minimum distance =  2.41497689812965 Angstroms
sigma value = 3


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

Energy: 0.24585207329417436
Energy: 0.44377344508121613
Energy: -0.009261045642869552
Energy: -0.32127032416107953
Energy: 0.6976751829299213
Energy: -0.006210945470592191
Energy: -2.1979023876479458
Energy: -2.2829502304573617
Energy: -2.019880151645347
Energy: -2.01039939276057
Energy: 0.1878133785214729
Energy: -1.7862521696193578
Energy: -0.16762931402921935
Energy: -0.12523471237369632
Energy: -0.17015755362415974
Energy: -0.3395030858578635
Energy: -0.12007117382757372
Energy: -0.3377876194117729
Energy: -0.33263589813858246
Energy: -0.5404659104986432
Energy: -1.654351345331356
Energy: -0.33674118096312566
Energy: -0.09839083136896085
Energy: -0.33664545948883456
Energy: -1.0825813060327136
Energy: -1.6153632078161628
Energy: -1.7986195715309563
Energy: -2.052311270809019
Energy: -0.8516224481115595
Energy: -1.6075695343990353
Energy: -2.119548507834237
Energy: -1.5852130413315364
Energy: -2.051241203927149
Energy: -1.7839255177038797
Energy: -2.3612593423859485
Energy: -1.5374842903745316
Energy: -2.152270341944888
Energy: -1.8916942626274658
Energy: -1.8977844886928459
Energy: -1.903818826411031
Energy: -1.846680436615292
Energy: -2.3126096385384347
Energy: 0.5004548489395877
Energy: 0.00023471957640647188
Energy: 0.13716239695068527
Energy: -1.5041425714320824
Energy: 2.0418712762349657e-05
Energy: -0.4101560684287942
Energy: -1.0257711998960848
Energy: 0.48773123015084924
Energy: 0.47326520755281265
Energy: -2.164956292726796
Energy: 0.4884926966670115
Energy: 0.47199269424037665
Energy: -0.5155468370854879
Energy: 0.022430995748159276
Energy: 0.022492449639798476
Energy: -0.05921473261876995
Energy: 0.017762427600815926
Energy: 0.16310454646188463
Energy: 0.03908973149809144
Energy: -1.4374521932081457
Energy: -1.7307128214071443
Energy: 0.7777684328412495
Energy: -2.37588884623732
Energy: -1.5867747027970052
Energy: -1.747141418162443
Energy: -2.2762977415177392
Energy: -1.80752070797999
Energy: -1.9604999559189298
Energy: -1.8040139842605027
Energy: -2.0003504493259157
Energy: -1.412442407369714
Energy: -1.8345405264713368
Energy: -2.2494428766521017
Energy: -2.090751217972692
Energy: -0.629331028269283
Energy: -2.356137874289703
Energy: 0.6345268437974935
Energy: -0.7067994615310746
Energy: -1.8545643836032724
Energy: 0.292084674670472
Energy: -1.6774628443547828
Energy: -1.9118752980911382
Energy: -2.3227758947010537
Energy: -0.3375260654392118
Energy: -0.33818075390046753
Energy: -1.1256914794908843
Energy: 0.10472480981477708
Energy: -0.3429166452092172
Energy: -2.0244653209539942
Energy: -2.219234243775678
Energy: 0.3096930887009114
Energy: -1.8652716086102024
Energy: -1.6236705534151994
Energy: -1.714377189975648
Energy: 0.520016026277874
Energy: -1.4065432751279652
Energy: -1.4861690872480804
Energy: -1.7104319871264575
Energy: -1.4530668122720536
Energy: 0.06327036488855038
Energy: 0.6703871146135852
Energy: -0.11341348679769157
Energy: -2.0994314004096535
Energy: 0.4949222206687273
Energy: -0.1082507257322014
Energy: 0.6514022779006207
Energy: 0.557270314225416
Energy: -0.335614705115558
Energy: -0.33628708159046566
Energy: 0.08345119436578251
Energy: -0.33931061188743034
Energy: 0.08738707989150286
Energy: -1.8766779422391733
Energy: -0.14794103802352151
Energy: 0.2857324909998909
Energy: 0.0334807203649792
Energy: 0.22679655017172537
Energy: 0.08857309066455508
Energy: -2.222384821653413
Energy: -1.454056411612127
Energy: -1.9798922210939986
Energy: -1.6606126884681387
Energy: -1.740259083982768
Energy: -1.403897238655367
Energy: -1.6628250743745279
Energy: -1.7924927440827518
Energy: -1.936282153697101
Energy: -1.8229383362474971
Energy: -2.1170207309763067
Energy: -2.161874821789537
Energy: -1.83333902500761
Energy: -1.3351628337708181
Energy: -2.1419098058733077
Energy: -2.156326814883622
Energy: -1.7966326160309056
Energy: -1.599082305101921
Energy: 0.23128814099147182
Energy: -1.80397859601909
Energy: -0.4143413599663856
Energy: 0.09951615470494593
Energy: -0.4006215682128986
Energy: -0.07200863097164921
Energy: -0.3330149837175217
Energy: -1.7927519669138312
Energy: -2.0286382228222966
Energy: -1.8845005248781848
Energy: -2.0987686302294377
Energy: -2.2855191356847944
Energy: 0.6245125510725781
Energy: -1.8978688408714028
Energy: -2.324162508550285
Energy: -2.383805103488016
Energy: -2.2795042067290066
Energy: -1.9260630722230958
Energy: -2.2982206937536183
Energy: -2.120144944482798
Energy: -2.290661858037702
Energy: -2.308024887421842
Energy: -2.0297840356784076
Energy: -1.1262205763931632
Energy: -0.3319897902504151
Energy: -0.7269425375234495
Energy: -0.7414848913486712
Energy: -0.3393988940318523
Energy: -0.7420602221037125
Energy: -2.1069648854956804
Energy: -0.30730609781295914
Energy: -0.1537044932636052
Energy: -0.13740255878517388
Energy: 0.017688310177497613
Energy: -0.08355137624097346
Energy: -0.33895212315346157
Energy: -0.4650348580545679
Energy: -2.077391783750186
Energy: -2.0025976846002917
Energy: -1.9367111042689817
Energy: 0.5419331053228733
Energy: -1.26765727354892
Energy: -0.9166614325492559
Energy: -1.8808845196765382
Energy: -2.215577748648357
Energy: -1.8392661306698252
Energy: -1.5682871595764638
Energy: -1.6309241932723582
Energy: -2.052582257865554
Energy: -1.0457196659974797
Energy: -1.2602805265239463
Energy: -2.047805046693475
Energy: -2.136496932441279
Energy: -1.661871879416475
Energy: -1.8971046035659986
Energy: 0.18649848642976924
Energy: 0.01770388535234022
Energy: -1.2946900091284361
Energy: 0.012111100829823425
Energy: -0.4014521075503155
Energy: 0.6767363387935739
Energy: 0.29864399307822603
Energy: 0.2895720166212117
Energy: -2.048947600874602
Energy: 0.29680113631593796
Energy: 0.2892393534796727
Energy: -1.0353697239389867
Energy: -1.948441506469011
Energy: -1.8632983258193465
Energy: -2.1066288045426256
Energy: -1.9803670549683055
Energy: -0.67822595003105
Energy: -0.422772831819165
Energy: 0.01680435930976601
Energy: 0.01875451948940057
Energy: -0.567937483927715
Energy: 0.016422961671189302
Energy: -0.16939450717424887
Energy: -1.8939329908540332
Energy: -1.1618580273391577
Energy: -2.0604389336952167
Energy: -2.1192873025971295
Energy: -1.221044998819186
Energy: -1.317517472393593
Energy: -2.693015523093888
Energy: -0.43684193114280057
Energy: -2.2418467629025116
Energy: -2.358872483236656
Energy: -0.1935366525011325
Energy: -0.1985624191059161
Energy: 0.7157621459667725
Energy: -1.9466489711182329
Energy: -1.5428086328648578
Energy: -1.781203275575234
Energy: -2.1805979661689525
Energy: -1.2738932806879868
Energy: -2.403479634730378
Energy: -0.3386853987846411
Energy: -0.3419813235983848
Energy: -1.7688249974959682
Energy: 0.015072699582379653
Energy: -0.34107300621888326
Energy: -1.7769789045756408
Energy: 0.007538339606736961
Energy: -0.33712702861262606
Energy: -0.7750890493393364
Energy: -0.33777855418588454
Energy: -0.16834355991413402
Energy: 0.5150581928619474
Energy: -0.3528711795971871
Energy: -0.27074414295532795
Energy: 0.24950509384631991
Energy: -2.1440187039176677
Energy: 0.6131455106590316
Energy: 0.3969250555728936
Energy: -0.6015935097797567
Energy: -0.49986034180683064
Energy: 0.1534936548064087
Energy: -0.5729673344277089
Energy: 0.3027572008025644
Energy: 0.6701990884459087
Energy: -2.156852987577249
Energy: -2.2226299450902838
Energy: 0.4899759868852808
Energy: -2.205066497443479
Energy: -2.124590749568277
Energy: -0.10628872788588972
Energy: -0.0976810495507803
Energy: 0.04151275876619943
Energy: -0.01725533133276466
Energy: 0.0977201743947796
Energy: 0.03877623936380764
Energy: -2.1103552671826784
Energy: -1.2524824655050966
Energy: -1.7308641390607211
Energy: -1.3423386954049876
Energy: -1.4608579940893953
Energy: -1.7511767470475068
Energy: -1.2688902440945493
Energy: -1.379354266471497
Energy: -1.4246006261021857
Energy: -1.359380746831661
Energy: -1.5671379552363054
Energy: -1.327606956176852
Energy: -2.272982134939592
Energy: -1.7832817367148115
Energy: -1.8973846600137616
Energy: -2.023277299044653
Energy: -1.4162969354431596
Energy: -1.6670049653805679
Energy: 0.2345616484850869
Energy: -1.1845731177758183
Energy: -0.5230260982660766
Energy: -0.1452187977720259
Energy: -0.40720936929832335
Energy: -0.5563997014811034
Energy: -0.16736522703236723
Energy: -0.40169753702658634
Energy: -0.4066866522351645
Energy: -0.14699320928665122
Energy: -0.40384414492052356
Energy: -0.33984208226673857
Energy: -1.7011712579104192
Energy: 0.35899050445555963
Energy: -1.8793115741367181
Energy: -2.4226518175407348
Energy: 0.19319986712506657
Energy: -2.1225992401704543

minimum gb energy = -2.693015523093888 eV
minimum distance =  2.34771526640699 Angstroms
sigma value = 81


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

Energy: 0.19633836767570778
Energy: 0.16495764223192486
Energy: 0.16512305450448994
Energy: 0.14995074519320556
Energy: 0.0771539347086177
Energy: 0.16601753688422347
Energy: 0.6623662677337203
Energy: -0.06934361653546273
Energy: -0.06916596228852526
Energy: -1.2234634117620173
Energy: -0.06892694301213449
Energy: -0.06904645140198139
Energy: 0.12415916771754198
Energy: -0.6925472759366811
Energy: -0.6925932291228166
Energy: 0.08465714546596714
Energy: -0.694176736448683
Energy: 0.0024374013497208444
Energy: 0.1221887040003058
Energy: -0.6943391246194607
Energy: -0.06924632222881784
Energy: 0.0012640647843184482
Energy: -0.6926098629075851
Energy: -0.051874506233589454
Energy: 0.12258151443053904
Energy: -1.292466021700804
Energy: -1.3104684760516654
Energy: -0.0005850190447765327
Energy: -0.8374967034969524
Energy: -0.04809308874262493
Energy: 0.12477650579678597
Energy: -0.03897953579018962
Energy: -1.16998640684203
Energy: 0.00039892789150169667
Energy: -1.5240660892274587
Energy: -1.2660638850944659
Energy: -0.6858953369436334
Energy: -1.239182700970957
Energy: -1.371437770855644
Energy: -1.1573897134221984
Energy: -0.7009383695287452
Energy: -0.04939013194268294
Energy: 0.3965356229268718
Energy: -0.1401921768012924
Energy: -0.12788800800696135
Energy: 0.013569148414231855
Energy: -0.13119594999417117
Energy: -0.23278752906983416
Energy: 0.12396113075859098
Energy: 0.5406374441893295
Energy: 0.540838664212732
Energy: -1.2650019415469163
Energy: 0.5407628831640574
Energy: -1.257594165031242
Energy: 0.12576786953015126
Energy: 0.19172408489818346
Energy: 0.2113385214495296
Energy: 0.08536872524229162
Energy: 0.44733060552588844
Energy: 0.2123910382939676
Energy: 0.11294807542966175
Energy: 0.4530842572267108
Energy: 0.45121120853578883
Energy: -1.1485204748713866
Energy: 0.34489527849363943
Energy: -0.7185940365621524
Energy: -1.76294556981972
Energy: -1.3058839765648198
Energy: -1.2400226069397995
Energy: -0.6924313534117009
Energy: -1.2469966524637306
Energy: -0.8343780033269425
Energy: -0.7898437518314555
Energy: 0.0009975245472007635
Energy: -0.0033571509573550487
Energy: -0.6939910910222765
Energy: 0.001699394299328724
Energy: -0.6939970775106497
Energy: 0.5444828290391367
Energy: -1.1576664145605533
Energy: -0.05014691563834934
Energy: -0.06938339263368998
Energy: 0.005867610337536305
Energy: -1.190708487779478
Energy: -0.7418659469293404
Energy: 0.0051747225281823205
Energy: -0.0026061498318134123
Energy: -0.005475047335195204
Energy: 0.01295069191005102
Energy: 0.0017482469299719395
Energy: -1.402263929314649
Energy: -1.2292881404422233
Energy: -1.2839347466343425
Energy: -0.0680998830189478
Energy: -0.04581009904811109
Energy: -0.7561141413650596
Energy: 0.2371920838407833
Energy: -1.337058809289196
Energy: -0.2292818380123794
Energy: 0.19078748321546352
Energy: 0.24198736369329452
Energy: -0.2329408730298647
Energy: 0.23127515822635752
Energy: -1.293678446256363
Energy: 0.5401718760463375
Energy: 0.530625258359189
Energy: -0.8398320074794122
Energy: 0.5390024574157426
Energy: 0.592898179403733
Energy: -0.6578770068178712
Energy: 0.42705102268019024
Energy: 0.42780777648203877
Energy: -1.32207095566495
Energy: 0.42733124621254726
Energy: 0.5928251831459879
Energy: -0.07951206620561714
Energy: 0.4249320210770092
Energy: 0.44017473381776473
Energy: -0.7319232274588358
Energy: 0.428590772386022
Energy: 0.12119343350174616
Energy: -0.06895263396049059
Energy: -0.06911576883017555
Energy: -1.3418499188471744
Energy: -0.0691598046327107
Energy: -1.5232530616701125
Energy: 0.12507931771064904
Energy: -0.6931552741023012
Energy: -0.6932283224651116
Energy: 0.006096108057775538
Energy: -0.692356718255464
Energy: -0.6920914685776386
Energy: 0.5272019131175348
Energy: -0.06896012736958712
Energy: -0.06897387191067232
Energy: -0.06902810635621738
Energy: -0.06912617722184589
Energy: -0.06876435917302084
Energy: 0.12450749537113096
Energy: -0.001192876640316401
Energy: -0.00222516963707786
Energy: -0.0023960027362655905
Energy: 0.002660829201930062
Energy: -0.002103194950804099
Energy: 0.1230346134762496
Energy: -1.1807775936888123
Energy: -0.05843628536529451
Energy: -1.2913778432282925
Energy: -0.7446676310762962
Energy: -0.05441920125548682
Energy: -0.8064890706739043
Energy: 0.5343581572947244
Energy: 0.5336707556246637
Energy: -1.477367886152295
Energy: 0.2064077070456952
Energy: 0.5417425520216774
Energy: -0.9218079065097137
Energy: 0.5327992754263512
Energy: 0.5405003536600674
Energy: 0.027631589603717904
Energy: 0.5330645781226468
Energy: 0.5405042391930703
Energy: 0.12360539264244633
Energy: 0.3448299954132007
Energy: -0.05455748112676007
Energy: -1.1685104537650883
Energy: 0.32931093188278054
Energy: -0.654162887822514
Energy: 0.11567305955089575
Energy: 0.2115975261176077
Energy: 0.2118398233737056
Energy: -0.0038574546355907777
Energy: 0.2131383168813593
Energy: 0.21469120209938847
Energy: 0.5450651112205421
Energy: -0.7516304499870182
Energy: -0.808634812534978
Energy: -0.0693342194816713
Energy: -0.8167698880716987
Energy: -0.06906677833179312
Energy: -0.7100390952062124
Energy: 0.01877340309385435
Energy: 0.006759785789640176
Energy: -0.6925807120126007
Energy: -0.1263705273041667
Energy: -0.6935533207221455
Energy: 0.545158311776755
Energy: -0.06938069047919522
Energy: -0.06931856403385332
Energy: -0.06922989000141871
Energy: -0.06895966504290478
Energy: -0.06941784899906989
Energy: -0.6790328408875892
Energy: -0.02358420731090431
Energy: -1.2075391784687295
Energy: -1.2570251463347946
Energy: 0.001242251194970909
Energy: -0.003125594633118536
Energy: -1.325104206292447
Energy: -0.03819575150327248
Energy: -1.2822540916590481
Energy: -0.08221223024372659
Energy: -1.243155215352614
Energy: -1.2375940265783352
Energy: -1.3340340392982775
Energy: -0.05230670514141107
Energy: -1.168777157549831
Energy: -0.7478905522832818
Energy: 0.01565677998247117
Energy: -1.2212267541799324
Energy: 0.23338100490586727
Energy: 0.030864821338490486
Energy: 0.03220115933056981
Energy: 0.17975789702179712
Energy: 0.29675263278820135
Energy: 0.09393526990317219
Energy: 0.20046847189179834
Energy: -0.7275234323117953
Energy: -1.247912404959303
Energy: 0.5406307071357133
Energy: -1.2567580611176892
Energy: -1.2525420279793373
Energy: 0.5371916194906875
Energy: -0.12642056515235495
Energy: 0.15523440597685165
Energy: 0.21251862590060838
Energy: -0.12528477692300352
Energy: 0.15587376557295987

minimum gb energy = -1.76294556981972 eV
minimum distance =  2.41601457207162 Angstroms
sigma value = 43


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

Energy: 0.8131169507371405
Energy: 0.5456642560761347
Energy: 0.1970874203634656
Energy: -0.30058685963181103
Energy: 0.46822416705109143
Energy: 0.1435396343264648
Energy: 0.4801300369602534
Energy: 0.3681735986860472
Energy: 0.6138085584102719
Energy: -0.3885438138396111
Energy: 0.37329018171355993
Energy: 0.31669671802921007
Energy: 0.2850320381361456
Energy: -0.553613797743747
Energy: -0.5523283814517702
Energy: -0.5344468847951392
Energy: -0.5668499260143097
Energy: -0.5468230773781625
Energy: 0.13398663042245507
Energy: -0.5634216413588803
Energy: -0.5642908301998939
Energy: -0.12776839736004283
Energy: -0.5683067071562595
Energy: -0.5072242083539962
Energy: -1.1808777221655766
Energy: -0.3220625861699788
Energy: -0.32223602566422066
Energy: -0.2661845130802296
Energy: -0.3225432326882862
Energy: -0.3231193166217066
Energy: -1.158920921932003
Energy: -0.32552813753570065
Energy: -0.324981621501815
Energy: -0.3257755925132945
Energy: -0.26702607346065077
Energy: -0.3253976596661951
Energy: -0.22339703717107326
Energy: -0.26127251568979243
Energy: -0.32412151273318085
Energy: -0.32389801631318627
Energy: -0.285734607386419
Energy: -0.3221899264453354
Energy: 0.34435728352077066
Energy: 0.14435952921000106
Energy: 0.14392083222904334
Energy: -0.5458041902410212
Energy: 0.15841360820727207
Energy: 0.24620628409095746
Energy: 0.6088066982188497
Energy: 0.18874610730126343
Energy: -0.3674914720885451
Energy: 0.4054969218064906
Energy: -0.33167846792103306
Energy: 0.2300983320508631
Energy: 0.47759934070269866
Energy: 0.007714461385087142
Energy: -0.23799933312479052
Energy: -0.06224001296522647
Energy: 0.5256274355607302
Energy: -0.3538675110927787
Energy: 0.19621176480329625
Energy: -0.3040166145129799
Energy: -0.3114571440806477
Energy: -0.27649199510477707
Energy: 0.3018182397040403
Energy: -0.07684245220108493
Energy: 0.49267280885426273
Energy: 0.07748499791929811
Energy: 0.06658838200597537
Energy: -0.2998261978742599
Energy: -0.4058779675475025
Energy: -0.6112737093290033
Energy: 0.4913494427392836
Energy: 0.14051827118918495
Energy: 0.2579943371216431
Energy: 0.37978623541689854
Energy: 0.06047945469311042
Energy: 0.46052077105057676
Energy: -0.6071450959358166
Energy: -0.9403504145350549
Energy: -0.38202823778063866
Energy: -0.16842419631001124
Energy: -0.3946889696867792
Energy: -0.41555347192273767
Energy: -0.0009374361893235485
Energy: -0.24255975059053916
Energy: -0.22028124994900808
Energy: -0.14057181022630974
Energy: -0.2509900749898433
Energy: -0.2204533702045836
Energy: -0.15648793909337594
Energy: -0.2481878329276627
Energy: -0.2486189082825859
Energy: -0.38565479115814216
Energy: -0.3640913145698276
Energy: -0.1544663994688808
Energy: 0.03788193265838146
Energy: -0.0036281267752838143
Energy: 0.03903744250484758
Energy: 0.1583152625127446
Energy: -0.32874861930704036
Energy: 0.03962128029964242
Energy: 0.07313444748229482
Energy: -0.23595041203751482
Energy: -0.8940529006729332
Energy: 0.012306015180834462
Energy: -1.0186313600689603
Energy: -0.8002155309753703
Energy: 0.4241156008089207
Energy: 0.12511301078196732
Energy: 0.13475903668283845
Energy: -0.569319790518702
Energy: 0.12549960949728373
Energy: -0.204963897151522
Energy: 0.5423268948018868
Energy: 0.1321339895969163
Energy: 0.12562992911595194
Energy: -0.6492924923427206
Energy: 0.17569527813457791
Energy: -0.3274620998212493
Energy: 0.07322466991041156
Energy: 0.3906100925593753
Energy: -0.20861425580739498
Energy: -0.8429900095298571
Energy: -0.40709840300979394
Energy: 0.11300161307924471
Energy: 0.3952139818084543
Energy: 0.4386339115426789
Energy: 0.2093364273937793
Energy: 0.3769491121762805
Energy: -0.6245945431752556
Energy: 0.4095685225963744
Energy: 0.26127364344346804
Energy: -0.8368843598238113
Energy: -0.5947380256161399
Energy: -0.8474137035889499
Energy: -0.8586669578646549
Energy: -0.7993383491423254
Energy: -1.0603528077969502
Energy: -0.842062278761881
Energy: 0.004438801049686038
Energy: -0.1283153141402129
Energy: -0.4092779341703861
Energy: 0.0185090815613637
Energy: 0.754356886666706
Energy: 0.006151685739387165
Energy: 0.06209483152769671
Energy: -0.15338438326113463
Energy: 0.00533153377866154
Energy: 0.06345218801719135
Energy: -1.2064489885893506
Energy: -0.1747857975926182
Energy: -0.22204639348031252
Energy: -0.18306323446678832
Energy: -0.17450108661013275
Energy: -0.21984986995775688
Energy: -1.1337156483602082
Energy: -0.19258010136917614
Energy: -0.19311461056785667
Energy: -0.9090084785142452
Energy: -0.19249716629955613
Energy: -0.21797252826971608
Energy: -1.1968091975775828
Energy: -0.37488665610583716
Energy: -0.3718949677520015
Energy: -0.1948345509130069
Energy: -0.1778388567920188
Energy: -0.39446736750829164
Energy: 0.20791603839629014
Energy: -0.6186014905289864
Energy: 0.2361321792611442
Energy: 0.1965961526010415
Energy: -0.7066399939550028
Energy: 0.23580066957077
Energy: 0.1458514723575543
Energy: -0.174545255386694
Energy: -0.31326065879895365
Energy: -0.3825406664008818
Energy: -0.17828973128476708
Energy: -0.36555200842898533
Energy: 0.6271459467895744
Energy: -0.6425350111097605
Energy: 0.36255518254763464
Energy: 0.4706849446054305
Energy: -0.7848993611298518
Energy: 0.3884513029389919

minimum gb energy = -1.2064489885893506 eV
minimum distance =  2.32923130517834 Angstroms
sigma value = 57


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

Energy: 0.7775554349443609
Energy: -0.19394013559620543
Energy: -0.19471395929563287
Energy: 0.3328250741709976
Energy: 0.34881244392920896
Energy: -0.19485600633899272
Energy: 0.3320336578600714
Energy: 0.2563220172818898
Energy: 0.24703732045308138
Energy: 0.24697838464927724
Energy: 0.2570834540096216
Energy: 0.24563382085407096
Energy: -0.1428039792980697
Energy: -0.26830097276100573
Energy: -0.2681771184904056
Energy: -0.3961167563984878
Energy: -0.2741478603089497
Energy: -0.2699421059476668
Energy: 0.5767008344499337
Energy: -0.2740826802842655
Energy: -0.2735807544013781
Energy: 0.07671734401157074
Energy: -0.2734736024485887
Energy: 0.2460573466963152
Energy: -1.5974584722926806
Energy: -0.44742350331732833
Energy: -0.4470915556529339
Energy: -0.44785326662642394
Energy: -0.4472968332980266
Energy: -0.44709036986080736
Energy: -0.30347738970403276
Energy: -0.4455428600697958
Energy: -0.44585513634059104
Energy: -0.4456091035740909
Energy: -0.44852308043241956
Energy: -0.44613778842254026
Energy: 0.5948317348390462
Energy: 0.24538722104216698
Energy: 0.24561633108595113
Energy: 0.24562600240677968
Energy: 0.07694705649210241
Energy: 0.24620463126386835
Energy: -0.1939771113944705
Energy: -0.3963957467605588
Energy: -0.3958133293235923
Energy: -1.2543570217831992
Energy: -0.396291279980524
Energy: -0.191513769863957
Energy: 0.595432136606137
Energy: -0.19007987967391615
Energy: -0.1902407966600573
Energy: 0.269187380922438
Energy: -0.18894226083915494
Energy: -0.18847464138940945
Energy: 0.35228082277356626
Energy: -0.29732381838215505
Energy: -0.27021005014932836
Energy: 0.5382793550701641
Energy: -0.06860079060658988
Energy: 0.3400841140113641
Energy: -0.2208529143803245
Energy: 0.22027185815624034
Energy: 0.24572563703562367
Energy: -0.18998412518965002
Energy: 0.21596743503013424
Energy: -0.19014835883974873
Energy: -1.2997603035580694
Energy: -0.19160962927503405
Energy: -0.1914643116242417
Energy: -0.271578131410579
Energy: -0.18976957445008974
Energy: 0.31122329728199005
Energy: 0.7135586618097036
Energy: -0.18996079191372742
Energy: 0.053438628759174926
Energy: 0.6487345672569161
Energy: -0.19014456511501546
Energy: 0.053287592540744416
Energy: 0.6305977019401379
Energy: 0.07849880905788255
Energy: 0.257161139621982
Energy: -0.1898586378156449
Energy: 0.07429019287643289
Energy: 0.2452107777635382
Energy: -0.14386169444577165
Energy: 0.06515650619879622
Energy: 0.06615070197403226
Energy: -0.2158738546131217
Energy: -0.27245231254822294
Energy: 0.06760470414395546
Energy: 0.5768211004324368
Energy: 0.2551758606107584
Energy: 0.2462457696150796
Energy: 0.24568098029465033
Energy: 0.24593441849038417
Energy: 0.2459205825371072
Energy: -1.485857330393105
Energy: -0.4471689779298589
Energy: -0.4468776036147617
Energy: -0.4483075531926567
Energy: -0.44553963373764854
Energy: -0.44705022274488515
Energy: -1.5893702336691908
Energy: -0.44551493119294927
Energy: -0.44625827434876686
Energy: -0.445602563633176
Energy: -0.44619984775190424
Energy: -0.44639236095720447
Energy: 0.5923034781283135
Energy: -0.39611751732801287
Energy: -0.3963971948563308
Energy: 0.26907199108400354
Energy: -0.19000472892738343
Energy: -0.39676233164678526
Energy: 0.4294740161387246
Energy: -0.3963402348748432
Energy: -0.39582922226095446
Energy: -0.3966121877749168
Energy: -0.396361921873036
Energy: -0.3955450458912721
Energy: 0.5902087410807074
Energy: -0.191294844232298
Energy: -0.1911774384287058
Energy: 0.24537398555661172
Energy: -0.1913042690320088
Energy: 0.2467014784446684
Energy: 0.07284983295670973
Energy: 0.44917863670528557
Energy: 0.45084170470749896
Energy: -0.013074654538346348
Energy: 0.3322607567398944
Energy: 0.4504106484139393
Energy: 0.6310094081920927
Energy: -0.18963362779911386
Energy: -0.19061213128187943
Energy: -0.3960402699060464
Energy: -0.19171128944805302
Energy: 0.10518404924080192
Energy: 0.6229601322190296
Energy: -0.19045412850030682
Energy: 0.05350556865111775
Energy: 0.6473731652129513
Energy: -0.1902716317023139
Energy: 0.05336768302335035

minimum gb energy = -1.5974584722926806 eV
minimum distance =  2.38230199516636 Angstroms
sigma value = 17


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

Energy: 0.8062857749443023
Energy: 0.4860639726416102
Energy: 0.4871058807312038
Energy: 0.36984667030774804
Energy: 0.29555546398310867
Energy: 0.37210131219686077
Energy: 0.4844529811074009
Energy: 0.3032105716359417
Energy: 0.33327770714961746
Energy: 0.31992670052804806
Energy: 0.33404028200491775
Energy: 0.3338490030890807
Energy: 0.44211574681318744
Energy: 0.12313573385200645
Energy: 0.09747166809488929
Energy: 0.2739977341071135
Energy: 0.12410922129628699
Energy: 0.12278572206353648
Energy: 0.5942039579773181
Energy: 0.1505406344454826
Energy: 0.15188222646295646
Energy: 0.3352014768826564
Energy: 0.2720121790752373
Energy: 0.30112112175124556
Energy: 0.6195369826036606
Energy: 0.09116708635558145
Energy: 0.07776588525534016
Energy: 0.12888066916762253
Energy: 0.09141320336793665
Energy: 0.0777434091940208
Energy: 0.43295651742082525
Energy: 0.06243306263568835
Energy: 0.056618380097297125
Energy: -1.0918862478142854
Energy: 0.07693761291675542
Energy: 0.20244191628774177
Energy: 0.37686505366213774
Energy: -0.21897616177560048
Energy: -0.22118174903440496
Energy: -0.22057059913271307
Energy: -0.21422592751039196
Energy: -0.21902407399637802
Energy: 0.36442538188238677
Energy: -0.22109475731764783
Energy: -0.2211239446373606
Energy: -0.22105461335197527
Energy: -0.22042339367203817
Energy: -0.21765616943616428
Energy: 0.3715080363119373
Energy: -0.21968877411131824
Energy: -0.217285548326051
Energy: -0.21734660059744915
Energy: -0.22104610396134425
Energy: -0.21771189063990837
Energy: 0.452841625447278
Energy: 0.05729660761609483
Energy: 0.06308968790895701
Energy: 0.07589334298680832
Energy: 0.11383355598664853
Energy: 0.0625019709761558
Energy: 0.4119013069866574
Energy: 0.07805913173586092
Energy: 0.07820611610078718
Energy: 0.08811238276134896
Energy: 0.09052061716937548
Energy: 0.07784194106034686
Energy: 0.4610678082195044
Energy: 0.3014367474226882
Energy: 0.2978783263108429
Energy: -0.4791378697153781
Energy: 0.13051594709467396
Energy: 0.29713258288266187
Energy: 0.4605553204822783
Energy: 0.27264779149937385
Energy: 0.25466052464727434
Energy: 0.17971381002387252
Energy: 0.27354115141198465
Energy: 0.2731758479997316
Energy: 0.6677793984290002
Energy: 0.25420905286065887
Energy: 0.29935014778262764
Energy: 0.31430757182455316
Energy: 0.27339125634446615
Energy: 0.3342821490256233
Energy: 0.3780812644283579
Energy: 0.37544460394826895
Energy: 0.4683222811880508
Energy: 0.4162560050903389
Energy: 0.3882981881718122
Energy: 0.4677114200961056
Energy: 0.672306579729699
Energy: 0.25578248908517554
Energy: 0.3337149268883665
Energy: 0.3016852247392812
Energy: 0.27386367283760565
Energy: 0.30208744739823407
Energy: 0.6710833359486688
Energy: 0.2724446633598251
Energy: 0.4265738481486949
Energy: 0.39469996234096727
Energy: 0.271845185282846
Energy: 0.4367064756783772

minimum gb energy = -1.0918862478142854 eV
minimum distance =  2.39053433832951 Angstroms
sigma value = 17


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

Energy: 0.5770477075514269
Energy: 0.5124183998566417
Energy: 0.405476395117505
Energy: 0.2973211929606203
Energy: 0.29363589285246067
Energy: 0.4049997340219603
Energy: 0.6419227356404688
Energy: 0.286115806413311
Energy: 0.28666020065367287
Energy: 0.2106531361925201
Energy: 0.28662883808310113
Energy: 0.2847887537755995
Energy: 0.6363691316278682
Energy: 0.13541337481585772
Energy: 0.1184734001489823
Energy: 0.3149979538990323
Energy: 0.1344117013373278
Energy: 0.09905404604101344
Energy: 0.6502336148274802
Energy: 0.09860716871349838
Energy: 0.09879105896342663
Energy: 0.31600568210997143
Energy: 0.17768962515289846
Energy: 0.09832657609901327
Energy: 0.607267354080757
Energy: 0.09126897199576886
Energy: 0.0915278250523836
Energy: 0.10812214985554049
Energy: 0.09157677913040167
Energy: 0.09134111872746796
Energy: 0.5548076958417979
Energy: 0.05821600856644256
Energy: 0.1320376774494433
Energy: 0.17611533216789538
Energy: 0.09191209252888362
Energy: 0.17671150764177107
Energy: 0.4606186135721292
Energy: -0.15542078101883627
Energy: -0.15497579356260802
Energy: -0.15487179849269533
Energy: -0.150698202848217
Energy: -0.15116438680228395
Energy: 0.46454522016603483
Energy: -0.11962378374851235
Energy: -0.14985644197657058
Energy: 0.11828913354422715
Energy: -0.1343755367533799
Energy: 0.1499901138371896
Energy: 0.6178179893771839
Energy: 0.22899438474965308
Energy: -0.09697516561017347
Energy: 0.1534399876545219
Energy: 0.20125991578782443
Energy: -0.15000830871745358
Energy: 0.4480037702159003
Energy: -0.17898654049904042
Energy: -0.17798061789127922
Energy: 0.25990714983153673
Energy: -0.17854884960112852
Energy: -0.1784298757798443
Energy: 0.5782347349261011
Energy: -0.17858644263638568
Energy: -0.17727415097333593
Energy: -0.17972353154366524
Energy: 0.044568925412520374
Energy: -0.177815324241611
Energy: 0.44486433009737647
Energy: -0.14700078815222897
Energy: -0.15293577547396248
Energy: -0.17087805529701033
Energy: -0.053760290724559456
Energy: -0.1527826953350689
Energy: 0.5148807641492005
Energy: -0.040251125882997126
Energy: -0.15179524043888584
Energy: 0.19035445752669347
Energy: -0.11093581343428675
Energy: -0.15078902306972838
Energy: 0.45677150943330697
Energy: -0.15615502476055895
Energy: 0.11289357480134028
Energy: -0.04873909047577113
Energy: -0.1549939606093895
Energy: -0.1157958199435821
Energy: 0.5929986759244923
Energy: 0.11827502626872408
Energy: 0.14259284048678164
Energy: 0.05822641489427589
Energy: 0.13242438550875166
Energy: 0.058176527495166795
Energy: 0.5930302646796762
Energy: 0.05811410000734173
Energy: 0.09216076702655492
Energy: 0.09144687004916897
Energy: 0.24706992777447223
Energy: 0.0915962198362866
Energy: 0.5732487780446954
Energy: 0.11748867071116992
Energy: 0.11886422636276642
Energy: 0.17862463453014768
Energy: 0.3088294179287547
Energy: 0.11828581221277996
Energy: 0.635475145586326
Energy: 0.2578685969245412
Energy: 0.25855192658683157
Energy: -0.057233126537055035
Energy: 0.24675490441385903
Energy: 0.1380410328000089
Energy: 0.6268705151880501
Energy: 0.1464278261904764
Energy: 0.2866616144529569
Energy: 0.11287474763381151
Energy: 0.13134322346671762
Energy: 0.2844540998053931
Energy: 0.6704196203486119
Energy: 0.3259204503711417
Energy: 0.31957325534154557
Energy: 0.25877529802685184
Energy: 0.34526886355032466
Energy: 0.3086770720405978
Energy: 0.6785443309266744
Energy: 0.26033305563868075
Energy: 0.2840604881570676
Energy: 0.13715125925460073
Energy: 0.25910947521752364
Energy: 0.28647267418100847
Energy: 0.579460104402606
Energy: 0.3944901452875698
Energy: 0.36303936712218704
Energy: -0.1334527406348048
Energy: 0.3943959818316523
Energy: 0.16398395761765602
Energy: 0.6957827787340696
Energy: 0.3158025091229122
Energy: 0.3223085448474302
Energy: 0.3019645060354121
Energy: 0.31664686489112576
Energy: 0.2859593418853488
Energy: 0.6427141670098572
Energy: 0.29162023251118724
Energy: 0.32246861798218596
Energy: 0.13867753903462887
Energy: 0.2985989701401652
Energy: 0.30514622196279195
Energy: 0.6832524961566485
Energy: 0.22483929778055464
Energy: 0.11858781596474739
Energy: 0.2460777402304132
Energy: 0.226461391744956
Energy: 0.09930998599849665
Energy: 0.603279780759907
Energy: 0.11247836209125063
Energy: 0.08973510980772458
Energy: 0.31687005588544453
Energy: 0.11244575712033934
Energy: 0.11279036562521538
Energy: 0.598196715839859
Energy: -0.024817802714666107
Energy: -0.025916095168758143
Energy: 0.1764222418237461
Energy: 0.09180255264205248
Energy: 0.30773243325825395
Energy: 0.39836489991516827
Energy: -0.6821402827849249
Energy: -0.6590581113219582
Energy: 0.2566200931143517
Energy: -0.6610685957284851
Energy: 0.27690600381197084
Energy: 0.4646871486283846
Energy: -0.1509700522376752
Energy: -0.1515730643835476
Energy: -0.0686048007695385
Energy: 0.11131524578458109
Energy: -0.11069064089655822
Energy: 0.4637464374971028
Energy: -0.13432866508066862
Energy: -0.1505435364191403
Energy: 0.07678263429459606
Energy: -0.13421639769886606
Energy: -0.15051085064196035
Energy: 0.4465050179967954
Energy: -0.1841752503747535
Energy: -0.18308951967133674
Energy: -0.18304764011848554
Energy: -0.1835527110203582
Energy: -0.18251484486230668
Energy: 0.5890799155589789
Energy: -0.1843402039719974
Energy: -0.18300875828721413
Energy: 0.366824462603861
Energy: -0.1807012845355917
Energy: -0.1823916428824999
Energy: 0.5557610324733671
Energy: 0.16648907874361116
Energy: -0.18386378077106613
Energy: 0.23018154604462207
Energy: 0.1666423423392404
Energy: -0.43512106986559856
Energy: 0.4933915709698851
Energy: -0.11096504479491644
Energy: -0.15093761323461263
Energy: -0.11039264600865706
Energy: -0.11015238559044241
Energy: -0.15114590928520508
Energy: 0.46205289090721774
Energy: -0.14908571345069888
Energy: -0.1511308186397173
Energy: 0.12698553317924227
Energy: -0.14772326560781865
Energy: -0.15093836026521443
Energy: 0.6116801888307257
Energy: 0.14338172911777103
Energy: 0.05713379881110074
Energy: 0.09258617190716659
Energy: 0.14240660781480624
Energy: 0.058541026334682715
Energy: 0.6274057607724454
Energy: 0.05757956389349223
Energy: 0.05819621472865598
Energy: 0.09223209234963264
Energy: 0.07777847605355412
Energy: 0.09060440616046182
Energy: 0.4650308715151925
Energy: 0.10694966570527537
Energy: 0.08448420775451962
Energy: 0.09253893046891391
Energy: 0.10391175574569199
Energy: 0.0838293914376482
Energy: 0.6536603190056196
Energy: 0.2805131531231597
Energy: 0.3109685210127995
Energy: 0.14743993809545752
Energy: 0.25931994478402787
Energy: 0.32089841781775685
Energy: 0.5940274332235307
Energy: 0.2586943039862787
Energy: 0.25935682469196797
Energy: 0.08533416862231714
Energy: 0.25896574976996367
Energy: 0.28598561611232526
Energy: 0.6486670637990847
Energy: 0.16526895955852167
Energy: 0.3215310477113031
Energy: 0.07326953239285777
Energy: 0.17442238834905024
Energy: 0.31243367186907056
Energy: 0.6527220836212296
Energy: 0.3154729803564108
Energy: 0.29130649063574676
Energy: 0.13736482048212192
Energy: 0.3224864402771421
Energy: 0.30583309588607344
Energy: 0.693505997189767
Energy: 0.25890233355365777
Energy: 0.2592727736512223
Energy: 0.3016081035520865
Energy: 0.25925385236934384
Energy: 0.28957067416005466

minimum gb energy = -0.6821402827849249 eV
minimum distance =  2.40198393975523 Angstroms
sigma value = 57


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

Energy: 0.5355986516577231
Energy: 0.3068826649834524
Energy: -0.08808521036769211
Energy: 0.28040877173059237
Energy: 0.36681410365200856
Energy: -0.08822566016429684
Energy: 0.6280794881253332
Energy: 0.24312876779953338
Energy: 0.25320162143564856
Energy: 0.23207929374624695
Energy: 0.24370856598389848
Energy: 0.24571774412675382
Energy: 0.7089831930334892
Energy: 0.12680525693549097
Energy: 0.12815278502752125
Energy: 0.2721562735577884
Energy: -0.17017440778762194
Energy: 0.0662868685819424
Energy: 0.6278310365833841
Energy: 0.15721023449662733
Energy: 0.033306510127040535
Energy: 0.243632811906186
Energy: 0.2391720373541876
Energy: 0.03334324652721854
Energy: 0.605391074139929
Energy: 0.018606480084051392
Energy: 0.018373468424272496
Energy: -0.018190458070781377
Energy: 0.018205751351777957
Energy: 0.018376391166248982
Energy: 0.5223303496787427
Energy: 0.060926124083043195
Energy: 0.018286232465084103
Energy: -0.04069155826079067
Energy: 0.027617711337523127
Energy: 0.018626543559660296
Energy: 0.5427485114890117
Energy: 0.23143942848768745
Energy: 0.1394840295151766
Energy: 0.14243380422329074
Energy: 0.027900961818272535
Energy: 0.12521050616512425
Energy: 0.5588484732914313
Energy: -0.16387172335052247
Energy: 0.21377696496411475
Energy: 0.14081593658974328
Energy: -0.16395214403856356
Energy: 0.18064082293911604
Energy: 0.5437683293797545
Energy: 0.21465456089479937
Energy: -0.11693067884722554
Energy: -0.36841657953913504
Energy: 0.20956939245491815
Energy: -0.3512192709727463
Energy: 0.5950703389878489
Energy: -0.06487597853651302
Energy: -0.10735793036880938
Energy: 0.17738428793694905
Energy: -0.05209139351433641
Energy: -0.1191495620645643
Energy: 0.5217344199352177
Energy: -0.17954088706264276
Energy: -0.17964383013055288
Energy: -0.11430836903774304
Energy: -0.17717097756027592
Energy: -0.1790880592001185
Energy: 0.6414780313040604
Energy: -0.17743985369379878
Energy: -0.17603656471571116
Energy: -0.1719028576393578
Energy: 0.34158564728269736
Energy: -0.17000678390498364
Energy: 0.42485063751370417
Energy: 0.3952137167683294
Energy: -0.17794794893460855
Energy: -0.1736163374289348
Energy: -0.16026897583700628
Energy: -0.17617199243507747
Energy: 0.5529151822431303
Energy: -0.16587077046433885
Energy: -0.1672295308628357
Energy: 0.42977083787804016
Energy: 0.1915585595778354
Energy: 0.3912363416545642
Energy: 0.432310954877058
Energy: -0.17956478133233292
Energy: -0.17908776067677465
Energy: 0.38379130171610054
Energy: -0.15439577861410708
Energy: -0.17975051980746032
Energy: 0.54723716333079
Energy: 0.15093293264255522
Energy: -0.07818994440619899
Energy: -0.04319546585914508
Energy: 0.08814761160873942
Energy: -0.06641046253258784
Energy: 0.5626094138249342
Energy: 0.15061673579287396
Energy: -0.17489757817485174
Energy: -0.07095861086966647
Energy: 0.11366793784673224
Energy: -0.17304527049320145
Energy: 0.5352259952427962
Energy: -0.07559431596822332
Energy: -0.17478122179307634
Energy: 0.027204111973366238
Energy: 0.15997843829048045
Energy: -0.17361074595303017
Energy: 0.6242920119426376
Energy: 0.23030776499530312
Energy: 0.23103518742124182
Energy: 0.05599731252730019
Energy: -0.04214747248954293
Energy: 0.21343826897551452
Energy: 0.6087365486216797
Energy: -0.0667030176674089
Energy: -0.07067447434023723
Energy: 0.01835741258297053
Energy: -0.06777669206933559
Energy: 0.01828877312498682
Energy: 0.5870402742602518
Energy: 0.018426219408991817
Energy: 0.01871791545070679
Energy: 0.018422172395238943
Energy: 0.22063392870645562
Energy: 0.018198476634923338
Energy: 0.5332625213557142
Energy: 0.233430762885842
Energy: 0.07903727189686002
Energy: 0.13374227299417935
Energy: 0.061285688720233766
Energy: 0.07901077971648891
Energy: 0.6238357527700341
Energy: 0.2397457791962314
Energy: 0.22695984975072328
Energy: -0.032449112725896824
Energy: 0.23991725743515138
Energy: 0.23030894631204532
Energy: 0.6806728562871692
Energy: 0.07830312364530348
Energy: 0.24747002701689672
Energy: 0.01830497935775966
Energy: -0.028392808245806655
Energy: 0.2612773902956279
Energy: 0.7095972565665659
Energy: 0.06661437238055434
Energy: 0.2962829277529056
Energy: 0.36307451350861913
Energy: -0.05868077259710146
Energy: 0.2016531293866552
Energy: 0.6435854475777911
Energy: 0.22255460528665544
Energy: 0.22237207730471667
Energy: 0.24779298240858738
Energy: 0.23257862714390087
Energy: 0.2450802519346057
Energy: 0.5364098138180133
Energy: 0.23788719293052846
Energy: 0.0008639533968081538
Energy: 0.14635127145702786
Energy: 0.23771332149065189
Energy: -0.16390435551400462

minimum gb energy = -0.36841657953913504 eV
minimum distance =  2.33644657213177 Angstroms
sigma value = 43


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

Energy: 0.471258805214665
Energy: 0.24872728214212503
Energy: 0.04874824258525867
Energy: 0.28609561971679287
Energy: 0.1078651985257299
Energy: 0.17053495754872344
Energy: 0.6542045090058208
Energy: 0.10165092751930353
Energy: 0.0283837837961804
Energy: 0.10596628356297548
Energy: 0.09248997379925794
Energy: 0.08608297103725872
Energy: 0.5862673145934786
Energy: 0.2240384794298792
Energy: 0.18734378695290363
Energy: -0.030946963741898096
Energy: 0.25408682914767505
Energy: 0.14022847438535704
Energy: 0.5957240677648252
Energy: 0.02329937963225197
Energy: 0.18096643436180496
Energy: 0.07007293701637576
Energy: -0.5180753298921179
Energy: 0.05614575956890412
Energy: 0.4586497830638995
Energy: 0.09695372426927362
Energy: 0.13811532447666525
Energy: 0.1785645772274234
Energy: 0.04818030805663324
Energy: 0.09215619248166514
Energy: 0.4476044905982851
Energy: 0.08378742580828061
Energy: 0.048015273345468464
Energy: 0.20399118096698785
Energy: 0.07794332102599301
Energy: 0.18798882459645616
Energy: 0.47018041945230693
Energy: 0.21957154713389146
Energy: -0.3004860986651753
Energy: 0.05980858161830261
Energy: 0.21845272075663666
Energy: 0.061844208668468285
Energy: 0.6399433221178792
Energy: 0.19617286901346695
Energy: -0.5989200751258492
Energy: 0.06878259971700633
Energy: 0.1513015142867482
Energy: -0.5865603752984816
Energy: 0.49472659262782287
Energy: -0.6767032596482037
Energy: 0.08077767826197516
Energy: -0.09940568119037035
Energy: 0.0024041626298243355
Energy: -0.6477858293286696
Energy: 0.5036595133007051
Energy: 0.16554217457586395
Energy: 0.1731610030355276
Energy: 0.054933366550233724
Energy: 0.1428284319967335
Energy: 0.1737764341164207
Energy: 0.4435252278165755
Energy: 0.07921121922132975
Energy: 0.11813070065538364
Energy: 0.038296011848540576
Energy: 0.03832772396074239
Energy: 0.19066673028452827
Energy: 0.4795290341009072
Energy: 0.16140399610375844
Energy: 0.17254843477040369
Energy: 0.17158878772487107
Energy: 0.03750776588683063
Energy: 0.14504465222902285
Energy: 0.48113862863735135
Energy: 0.2754006667237095
Energy: 0.1279127241830547
Energy: 0.15087747491154388
Energy: 0.20669456026542715
Energy: 0.048619452715200004
Energy: 0.4499273535178836
Energy: 0.11463303434422237
Energy: 0.3062880409418938
Energy: 0.3287943321687421
Energy: 0.05874366767393776
Energy: 0.3058642886672197
Energy: 0.44714199471603694
Energy: 0.04757390958362358
Energy: 0.0477311983543383
Energy: 0.1550807897606001
Energy: 0.15951201456100744
Energy: 0.05473654085163004
Energy: 0.4454166746022058
Energy: 0.29686318597666156
Energy: 0.2758363252549791
Energy: 0.047275176104775454
Energy: 0.3244299469210751
Energy: 0.04742647666355867
Energy: 0.5126335466380484
Energy: 0.3166032036852962
Energy: 0.27787864750725444
Energy: 0.06280971774544764
Energy: 0.32392596296973497
Energy: 0.06297373379317689
Energy: 0.44329529317440874
Energy: 0.2762349497493574
Energy: 0.05954054494650988
Energy: 0.2773897179759161
Energy: 0.27268087201513364
Energy: 0.06310808198374218
Energy: 0.4451241513951864
Energy: 0.30475553263990596
Energy: 0.3143193442361558
Energy: 0.3263895786120393
Energy: 0.15191037117644968
Energy: 0.31373464596522105
Energy: 0.44284723030374673
Energy: 0.27301295955875915
Energy: 0.06420321861701665
Energy: 0.27441262373110514
Energy: 0.27335835025144734
Energy: 0.059411236856518425
Energy: 0.5160200255403108
Energy: 0.1106265205156435
Energy: 0.27124327721176095
Energy: 0.059197823594088435
Energy: 0.14931267870951057
Energy: 0.0597562873515192
Energy: 0.45976529484309697
Energy: 0.17477084186570777
Energy: 0.19717121966591866
Energy: 0.060582085627427944
Energy: 0.16462056166871633
Energy: 0.06934697640427517
Energy: 0.45857399093632395
Energy: 0.06943967671702628
Energy: 0.07089261110177826
Energy: 0.034962458008637474
Energy: 0.10970895209676682
Energy: 0.061980471895533906
Energy: 0.4625235684633188
Energy: 0.17155569485093775
Energy: -0.5331639525630756
Energy: -0.611042573516522
Energy: -0.0010630521042752138
Energy: -0.4204119843867253
Energy: 0.46053496767593183
Energy: 0.19645907228661622
Energy: 0.09120250289699283
Energy: 0.1674435420516801
Energy: 0.19376336249557044
Energy: 0.08374006933800236
Energy: 0.4489286864811668
Energy: 0.02388230033937545
Energy: 0.18220165956368156
Energy: 0.16647775238267187
Energy: 0.03471632316800306
Energy: 0.17481027602284785
Energy: 0.4455690787865222
Energy: 0.04914360198809541
Energy: 0.06427633468331345
Energy: 0.09419267574743675
Energy: 0.043192600254329035
Energy: 0.18876976213094093
Energy: 0.48154236274742146
Energy: 0.0756326371699621
Energy: 0.12152243677115739
Energy: 0.17365157404323533
Energy: 0.08095591817457717
Energy: 0.12188862564659989
Energy: 0.5403901538196835
Energy: -0.03294481539185062
Energy: 0.09871874024741778
Energy: 0.07695685509427723
Energy: 0.10526728230175078
Energy: 0.09769355205838645
Energy: 0.6601352258592617
Energy: 0.20441370846390292
Energy: -0.520980483370409
Energy: 0.04108371488994701
Energy: 0.19511936733990615
Energy: -0.5480317283372887
Energy: 0.6456522886953809
Energy: 0.20137023159085807
Energy: -0.34969322093904426
Energy: 0.147569120725741
Energy: 0.20236288411917128
Energy: 0.12140866055262449
Energy: 0.45399874510657556
Energy: 0.10998371987023611
Energy: 0.07147148253069437
Energy: 0.2203278841596168
Energy: 0.11761547578183894
Energy: 0.2171618464972982
Energy: 0.47293569788348816
Energy: 0.15569702085792977
Energy: 0.17901483608047689
Energy: 0.18539004308507442
Energy: 0.12524499958712043
Energy: 0.09634523371859596
Energy: 0.6463706422020967
Energy: 0.04986801050812667
Energy: 0.03204120885056027
Energy: 0.04484508940380294
Energy: 0.21179695839115872
Energy: 0.09280966323539064
Energy: 0.589880694831351
Energy: 0.29939494069253436
Energy: 0.11132229060140378
Energy: 0.04426813956426949
Energy: 0.23153433625028455
Energy: 0.21629041428374868
Energy: 0.6758932284647708
Energy: 0.15760913284444036
Energy: 0.15819589203372003
Energy: 0.1084204633685533
Energy: 0.1253203770260458
Energy: 0.09635285725436478

minimum gb energy = -0.6767032596482037 eV
minimum distance =  2.38220721791532 Angstroms
sigma value = 81


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

Energy: -0.03459001330215619
Energy: -0.005325018751048689
Energy: -0.03377986962001552
Energy: -0.03258401905589786
Energy: -0.03146606060711983
Energy: -0.03394122001524827
Energy: -0.006112874579123982
Energy: -0.033570501400025016
Energy: -0.03351561779048381
Energy: -0.005706088781698483
Energy: -0.0308770747639557
Energy: -0.033689872509457035
Energy: -0.007187783573912376
Energy: -0.03376480771784869
Energy: -0.03401556984085208
Energy: -0.007215585912636032
Energy: -0.03370960222697649
Energy: -0.0067072100550364154
Energy: -0.03079769704858657
Energy: -0.033885490990767424
Energy: -0.03373866632502882
Energy: -0.03141054602124005
Energy: -0.033884474997536225
Energy: -0.006328794697113849
Energy: -0.0067959294922537074
Energy: -0.007036952885280615
Energy: -0.005873051481774162
Energy: -0.00595818349030572
Energy: -0.00677447692045719
Energy: -0.005389307844698796
Energy: -0.033278025579954386
Energy: -0.033536883873484344
Energy: -0.03361927588352967
Energy: -0.031822182742219575
Energy: -0.03350444610324451
Energy: -0.03381598448602904
Energy: -0.0042136429950600865
Energy: -0.033671492964552706
Energy: -0.033659382803844354
Energy: -0.006642822867650825
Energy: -0.03355449175470991
Energy: -0.03343377282006268
Energy: -0.004765384112926296
Energy: -0.033994174549928
Energy: -0.03388610191858089
Energy: -0.006938784191226335
Energy: -0.0339714078826921
Energy: -0.006317396848951466
Energy: -0.03266980732752518
Energy: -0.03383489480004992
Energy: -0.005102164767306872
Energy: -0.03215152562680934
Energy: -0.03382555258162475
Energy: -0.005255522074583222
Energy: -0.03320535138417529
Energy: -0.0071686507628719795
Energy: -0.006584218605375905
Energy: -0.03314137171424537
Energy: -0.0071041420812604904
Energy: -0.006719533427802659

minimum gb energy = -0.03459001330215619 eV
minimum distance =  2.52951020166024 Angstroms
sigma value = 3


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

Energy: 0.32717253932680607
Energy: 0.362606843378108
Energy: -0.4841158697603465
Energy: 0.281248973986008
Energy: 0.3671085466168622
Energy: -0.5558037154777762
Energy: 0.49715077915025396
Energy: 0.3513854795362027
Energy: 0.3323099314110459
Energy: 0.327064762611024
Energy: 0.3521387329501014
Energy: 0.3288104783729152
Energy: 0.3831304074643835
Energy: -0.9015542065414612
Energy: -0.8866682722374103
Energy: 0.3467040924614499
Energy: -0.9350885346292399
Energy: 0.34227208799953235
Energy: 0.47363051005217444
Energy: -0.653968327875372
Energy: -0.8870606449681152
Energy: 0.4177847454927155
Energy: -0.5811101345412268
Energy: 0.33773922084432406
Energy: 0.3859758882312169
Energy: 0.3443151233901798
Energy: 0.3317086733999877
Energy: 0.37933102675727426
Energy: 0.34955694716718005
Energy: 0.32881388459488575
Energy: 0.39495230701920614
Energy: 0.3510849359486566
Energy: -1.0049794760972441
Energy: 0.36182531476020696
Energy: 0.3449418914469708
Energy: -0.7471954912387809
Energy: 0.48406539502875434
Energy: 0.43095400466977013
Energy: 0.344706697742786
Energy: 0.4835020482806159
Energy: 0.4330932883204834
Energy: 0.3591993735818888
Energy: 0.42265848260205074
Energy: -0.9009806106911034
Energy: -0.6334021647138712
Energy: 0.41075443383765076
Energy: 0.37604287058343117
Energy: -0.8080289143581322
Energy: 0.3816255309130633
Energy: -0.5910234986255396
Energy: 0.31237639949220797
Energy: 0.35917732954903014
Energy: -0.9795384439534848
Energy: 0.35066783593608464
Energy: 0.361720874596345
Energy: 0.3524861819159728
Energy: 0.35253253260576334
Energy: 0.3463673909692541
Energy: 0.3878948723728772
Energy: 0.34415453538260216
Energy: 0.34975055505679514
Energy: 0.3373340572937662
Energy: -0.6207409188780134
Energy: 0.3741850091291037
Energy: 0.3398180557347234
Energy: -0.6230983605513041
Energy: 0.41568284418247564
Energy: 0.35119468446515095
Energy: 0.34444341227284003
Energy: 0.416741745259706
Energy: 0.35119938126105715
Energy: 0.3330306644203537
Energy: 0.40320629480709086
Energy: 0.3123251887955261
Energy: -0.6205451628777583
Energy: 0.40604981080981806
Energy: 0.3144781137417193
Energy: -0.9980606657336373
Energy: 0.35842880861705856
Energy: -1.023951672652896
Energy: 0.3243479976690206
Energy: 0.33993237886430405
Energy: -0.9560894111249973
Energy: 0.3237895903848291
Energy: 0.3581991301697196
Energy: 0.33485790435267193
Energy: 0.32989876234389937
Energy: -0.6871441884282727
Energy: 0.33111862882961796
Energy: 0.32740712018225326
Energy: 0.3539339225184324
Energy: 0.30865499777172295
Energy: 0.30422606242078665
Energy: 0.3199080632229823
Energy: -0.9526455823705525
Energy: 0.30501598267344726
Energy: 0.31371523937840795
Energy: 0.31219890716473186
Energy: 0.3130884885938217
Energy: 0.3152946088649945
Energy: 0.31224192144209384
Energy: 0.32068964100845937
Energy: 0.31136117342137204
Energy: 0.32911905100813144
Energy: 0.31139577414732494
Energy: 0.3122766698187131
Energy: 0.3218999406405478
Energy: 0.31477377132523143
Energy: 0.35113873495864045
Energy: 0.295389136540797
Energy: 0.3036836429622638
Energy: 0.34136860830839927
Energy: 0.3666281572093764
Energy: 0.3047072294342288
Energy: 0.3721435655043271
Energy: 0.3278015184743833
Energy: 0.3277517609974639
Energy: 0.3247927014122294
Energy: 0.32324765184788684
Energy: 0.32313247448649224
Energy: 0.3701918324010403
Energy: 0.3053225434669427
Energy: 0.31049882776535254
Energy: 0.3261041303349847
Energy: -0.8538549739092961
Energy: 0.3093590877306994
Energy: 0.3244478943112803
Energy: 0.3092456016790785
Energy: 0.3207917869208552
Energy: 0.3275095759647515
Energy: 0.29654267893297137
Energy: 0.32626109163013217
Energy: 0.3469963600039275
Energy: 0.357924910142153
Energy: 0.35467512365758413
Energy: 0.3473697269301221
Energy: 0.36943331726917733
Energy: 0.35305635476452707
Energy: 0.36991229814467075
Energy: -0.6400809252573504
Energy: -1.072978108343654
Energy: 0.4049247486991462
Energy: -0.6678677027924559
Energy: 0.3799049577386604
Energy: 0.38015886565669366
Energy: 0.33993986790838754
Energy: 0.3343702416513558
Energy: 0.3396623765950211
Energy: 0.37670754915833377
Energy: 0.3341604626746329
Energy: 0.3770790978904385
Energy: -0.5748727720080049
Energy: -0.5351011425839742
Energy: 0.3387073071484686
Energy: -1.0823490023333926
Energy: 0.340011814571883
Energy: 0.4089760081565937
Energy: -0.534089485367469
Energy: -0.54401637343217
Energy: 0.399143985157009
Energy: -0.7443568343461923
Energy: 0.3449126369394095
Energy: 0.4109665286280164
Energy: 0.34383269837140146
Energy: 0.3471975993462056
Energy: 0.36820357222393885
Energy: 0.3421514917886112
Energy: 0.35101520895487753
Energy: 0.3452880796475984
Energy: 0.35346463852895627
Energy: -0.8257029273886662
Energy: 0.42268879655011576
Energy: 0.40050686145797787
Energy: -0.6093316209881241
Energy: 0.3990327394326126
Energy: 0.3482457441841815
Energy: 0.3479037883130686
Energy: 0.38872379286648917
Energy: 0.4087407815664537
Energy: 0.34925891729400327
Energy: 0.3565300614250396
Energy: 0.321321911217265
Energy: -0.8676104569052624
Energy: 0.3464467620958149
Energy: 0.43762129237720176
Energy: -0.623492117519043
Energy: 0.3800596818478003
Energy: -0.5964178380923276
Energy: 0.34907679051364277
Energy: 0.3549767719038101
Energy: 0.2903687006112951
Energy: 0.33315690468308634
Energy: 0.3870724852630949
Energy: 0.3632900154951086
Energy: 0.4210891060288949
Energy: 0.37192530158653586
Energy: 0.4173705679199891
Energy: 0.3396899375038423

minimum gb energy = -1.0823490023333926 eV
minimum distance =  2.37102208381534 Angstroms
sigma value = 67


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

Energy: 0.4306295397806102
Energy: -0.76885873617077
Energy: -1.9519735861965404
Energy: -0.8794660066158393
Energy: -1.4811573857656803
Energy: -1.2479084611458582
Energy: 0.6350374963774533
Energy: 0.5417109696191397
Energy: -0.835882228840964
Energy: 0.4090801210636401
Energy: 0.5391488355581633
Energy: -1.116388919682855
Energy: 0.511087190358159
Energy: -1.6928900387032355
Energy: 0.3674442290709401
Energy: 0.4001521129224998
Energy: -1.768256437812847
Energy: -0.9300158161970415
Energy: 0.46292192239663255
Energy: -1.3012901001497834
Energy: -1.1897678005417853
Energy: -1.656196482219614
Energy: -1.8489976628952016
Energy: -1.5094522574073703
Energy: 0.4623581507382768
Energy: 0.41467575545453716
Energy: -2.4952189233435207
Energy: -2.1975783423202944
Energy: 0.41504486827443504
Energy: -1.1742824769668763
Energy: 0.3495563959743699
Energy: -0.8098426829249852
Energy: -1.6148707530991742
Energy: -1.7168396097634628
Energy: -0.7606839921154473
Energy: -1.2182759576642157
Energy: 0.6145842252210783
Energy: -0.7180630675941048
Energy: -0.7919847758853182
Energy: 0.5023667298453705
Energy: 0.4148321096790422
Energy: -2.323134431582298
Energy: 0.4874613469684878
Energy: -1.1058142988163968
Energy: -1.1026822408411754
Energy: -1.9774637268395387
Energy: -1.0567987023006997
Energy: -1.1675703220577345
Energy: 0.4508682137152709
Energy: -1.065721926207394
Energy: -1.0663378800417613
Energy: -0.7858535390171945
Energy: 0.5176637254290114
Energy: -1.2591977257403957
Energy: 0.4511503202330869
Energy: -1.4024990121238285
Energy: -1.2611980609160092
Energy: -1.1412880762328181
Energy: -2.077806281756578
Energy: -1.1596829395596187
Energy: 0.41635570882343803
Energy: -0.8985283915703508
Energy: -0.8661743334592876
Energy: -0.9379939492830529
Energy: -0.8263316466001208
Energy: -0.8370117529175133
Energy: 0.5661135578214849
Energy: -0.975046866891492
Energy: -0.911737408554882
Energy: -0.9914289399441762
Energy: -0.9715605680008241
Energy: -0.9487569406401752
Energy: 0.4621443308959295
Energy: -0.8371822365054411
Energy: -0.9237705166940204
Energy: -0.8868106980172464
Energy: -0.9560911651224366
Energy: -0.9002656851339169
Energy: 0.42885360930990035
Energy: -0.8342677255135209
Energy: -0.8293863186955028
Energy: -0.9607848027280634
Energy: -0.8642479860693628
Energy: -0.8557429762024884
Energy: 0.4594329737626821
Energy: -0.8383078635312777
Energy: -0.825875469546383
Energy: -0.8803277768151885
Energy: -0.9633206278212715
Energy: -0.825579390550287
Energy: 0.46004595844461643
Energy: -0.9745809237067938
Energy: -0.8464491686869428
Energy: -0.9611581938588656
Energy: -1.224774408958621
Energy: -1.1681553656737123
Energy: 0.5353435294371748
Energy: -0.9430569686922153
Energy: -0.9510846016451506
Energy: -2.0896583903815467
Energy: -0.9429814109806965
Energy: -0.7126813491246934
Energy: 0.5799865756651307
Energy: -2.328271152742942
Energy: -0.7815274121630029
Energy: -1.9686873622198373
Energy: 0.41609897974468274
Energy: -1.3787415102528906
Energy: 0.3775987664986922
Energy: -1.2159291269447174
Energy: -1.394876868537038
Energy: -1.5251076829686163
Energy: -0.8105374134410591
Energy: -0.9733592086388936
Energy: 0.4248385841745466
Energy: -1.2546233587351585
Energy: -1.2176333678363003
Energy: -2.141323007714364
Energy: -1.9661819488944354
Energy: -0.947329007002795
Energy: 0.4324366188590477
Energy: 0.37354823380088703
Energy: -1.532510245878461
Energy: -0.7802615572697191
Energy: -2.0020207971138877
Energy: -1.2412782262347635
Energy: 0.5096604178520567
Energy: -1.762922923771889
Energy: 0.3720415314504887
Energy: -2.7530040579254855
Energy: -1.6767199767524257
Energy: -1.538074791396601
Energy: 0.6356287097414943
Energy: 0.4835554289672385
Energy: -0.8169916611228852
Energy: -1.5461768145731758
Energy: 0.5406016142635535
Energy: -1.11492832397182

minimum gb energy = -2.7530040579254855 eV
minimum distance =  2.36162094571028 Angstroms
sigma value = 33


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

Energy: 0.3166160939996338
Energy: -0.16525112156662522
Energy: 0.47968145715326244
Energy: -1.503500307026872
Energy: -1.968951305440842
Energy: -1.5415099911872185
Energy: 0.740300889270623
Energy: -2.1291015688413326
Energy: -0.29099597701895674
Energy: -0.15513437283646736
Energy: -0.06809058733056882
Energy: -0.842045786629759
Energy: 0.7036909054172704
Energy: -0.3350499177504922
Energy: -0.3392005858336485
Energy: -2.3072321283084154
Energy: -0.9130101703737009
Energy: -0.2571771585643156
Energy: 0.6385898225596817
Energy: -0.2745369970068197
Energy: -0.2455760580912244
Energy: -2.066567108911867
Energy: -0.8383448549420458
Energy: -0.24130877355720481
Energy: 0.6429285564045142
Energy: -0.10224718072246217
Energy: -0.10657819642556997
Energy: -1.1190038796357527
Energy: -0.5581449182416964
Energy: -1.0489043207025088
Energy: 0.4885483522485224
Energy: -0.07532763035803222
Energy: 0.5139101658006177
Energy: -0.22671677053268946
Energy: -0.07809950506056428
Energy: -0.2767650448041757
Energy: 0.7147413366198294
Energy: -0.30623852972114957
Energy: -0.3066069108181217
Energy: 0.5960769479624883
Energy: -0.19133253444515427
Energy: -0.2264509144858807
Energy: 0.6669781507519547
Energy: 0.5298035995785269
Energy: 0.5276172557201756
Energy: 0.5103558776538958
Energy: -0.04750752425083953
Energy: 0.5215781193931937
Energy: 0.5653801581290009
Energy: 0.5272939537274326
Energy: 0.5280456855255145
Energy: -2.3311593742879113
Energy: -0.8506272005615101
Energy: 0.526229315584927
Energy: 0.566461787561001
Energy: -0.043210587329036584
Energy: 0.5137500758434093
Energy: -0.5381027696201897
Energy: -0.20743992897929067
Energy: 0.5189765846535492
Energy: 0.5427801039177778
Energy: 0.5122834370111784
Energy: 0.5145813452940201
Energy: -0.12501781907920081
Energy: -0.1868461281585065
Energy: 0.5136056029534167
Energy: 0.5773323498761543
Energy: 0.5054948103160898
Energy: 0.537585748250057
Energy: -0.05143272158797766
Energy: -0.28662709700443134
Energy: -1.7488371618145941
Energy: 0.6403847457439079
Energy: 0.511913380902864
Energy: 0.5134410693915656
Energy: -1.830900111932513
Energy: -2.3028797861180283
Energy: -1.8599453573861051
Energy: 0.514697106765812
Energy: 0.5011435638337728
Energy: 0.5051881551804702
Energy: -0.13192637635392612
Energy: 0.4972572401599084
Energy: -0.1409393091526261
Energy: 0.5513672762341361
Energy: 0.5115468736170877
Energy: 0.5271699406528378
Energy: -0.2095806066800469
Energy: 0.511993584721593
Energy: 0.5254467261410394
Energy: 0.5500794141878349
Energy: -0.28645764529282614
Energy: -0.2358568502332284
Energy: -0.9295432701465558
Energy: -0.892127406079093
Energy: -1.002222101222435
Energy: 0.7039811891042917
Energy: 0.5051141277723263
Energy: 0.49995769634567927
Energy: -0.11168869232940247
Energy: 0.4913742786530359
Energy: 0.49255008400544326
Energy: 0.704397916128388
Energy: -0.926050605082151
Energy: -1.058659284652212
Energy: -0.13039584571509705
Energy: 0.6433011413656452
Energy: -0.15769565325140295
Energy: 0.44792818273606533
Energy: -0.5807111516891337
Energy: -0.5585226024349927
Energy: -0.37206352577543045
Energy: -0.047605508229266694
Energy: -0.4336021510582947
Energy: 0.7262750789109202
Energy: -0.7249520955015678
Energy: -2.096792459190107
Energy: -0.2869861440441446
Energy: 0.6475452248868862
Energy: -0.6306961229605106
Energy: 0.7023930560075426
Energy: -0.2517679169685264
Energy: -0.2543276691515713
Energy: -2.3243755969763633
Energy: -0.874964106910629
Energy: -0.254479377341012
Energy: 0.6342415230693779
Energy: -0.3335349469330518
Energy: -0.3338116088022759
Energy: -1.1116542809340668
Energy: -0.8758869907200952
Energy: -0.25329362322678384
Energy: 0.6448781179835888
Energy: -0.10570270117399001
Energy: -0.29363056554523675
Energy: -1.2265831162491059
Energy: -0.8430468970889323
Energy: -1.051201763794592
Energy: 0.4871290617345003
Energy: -2.3280046454880523
Energy: 0.514525510047444
Energy: -0.22905869163389714
Energy: -0.5933532623529338
Energy: -0.22879967846269225
Energy: 0.7092261320945138
Energy: -0.1014830642889684
Energy: -0.3167014558324213
Energy: -2.3068056047097474
Energy: -0.9527851615887087
Energy: 0.519898306840578
Energy: 0.6661487848700837
Energy: 0.5306709716286307
Energy: 0.5283130376698619
Energy: 0.5058235128662256
Energy: 0.4998876670280479
Energy: 0.5267419595553572
Energy: 0.5646882489246203
Energy: 0.5306549844980273
Energy: 0.5287596147806901
Energy: -2.3250349401927903
Energy: -2.0620497654422385
Energy: 0.5262803220703052
Energy: 0.5680141320807349
Energy: -0.05270180354640486
Energy: -0.054905141040517656
Energy: -0.5859593663237537
Energy: -0.1573405964341339
Energy: 0.5082345463759648
Energy: 0.5410035184296014
Energy: -0.7870929870611679
Energy: 0.5018015604344406
Energy: -0.05846870229321224
Energy: -0.4480932327339537
Energy: -1.7207577556232103
Energy: 0.5794135661727798
Energy: -1.8307938883370218
Energy: 0.508468527894387
Energy: -0.052263784803646615
Energy: -0.28264858869181875
Energy: 0.5030217562082264
Energy: 0.6386721840439423
Energy: 0.5135186491863902
Energy: 0.5230005653384239
Energy: -1.9389201546933783
Energy: -2.33058062842875
Energy: -1.7002236259375356
Energy: 0.5174212117014181
Energy: 0.520776554557572
Energy: 0.5238634616993144
Energy: -0.13969688632221244
Energy: 0.49646393804049943
Energy: 0.5278487559811852
Energy: 0.5483993288583425
Energy: 0.5123537519140615
Energy: 0.5264238281599625
Energy: -0.20907315905931523
Energy: 0.5121534426842232
Energy: 0.5287064243967197
Energy: 0.5547176195918615
Energy: -0.21039005186530588
Energy: -1.2216988185228668
Energy: -0.8954956112020382
Energy: -1.8911902429906078
Energy: -1.2793046547938784
Energy: 0.7017474039609406
Energy: 0.5042978792243163
Energy: 0.49874227630235995
Energy: -0.2698638062559111
Energy: -0.22100191067235336
Energy: 0.4915593779646113
Energy: 0.7944626713887725
Energy: -1.1890697151349578
Energy: -1.0941404894124533
Energy: -0.906709019990867
Energy: -1.335840864569564
Energy: -0.16342621852384828
Energy: 0.4469691973824615
Energy: -0.11670755255016829
Energy: 0.4732874835305954
Energy: -0.3913089218804069
Energy: -0.047254859522288584
Energy: -0.4339632999063104

minimum gb energy = -2.3311593742879113 eV
minimum distance =  2.38197674030659 Angstroms
sigma value = 41


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

Energy: 0.7292146750052977
Energy: 0.6702101436424989
Energy: 0.6704288303231173
Energy: 0.6518376906000466
Energy: 0.01954145028304104
Energy: 0.675000454226712
Energy: 0.8090328431905954
Energy: 0.8131880381600217
Energy: -0.7884549323735011
Energy: -0.0020220148077744154
Energy: 0.8153081568224089
Energy: -0.0020843920003947303
Energy: 1.0258088402307328
Energy: 0.6703170073645309
Energy: 0.6682027198145626
Energy: 0.759972572149081
Energy: 0.6725885474405683
Energy: 0.6683715303492703
Energy: 0.8709361167605265
Energy: 0.6686415210145163
Energy: 0.6665067959103336
Energy: 0.7591098490516742
Energy: -0.06629297124613616
Energy: 0.7393026008309334
Energy: 0.7401790602620993
Energy: 0.7059111878587766
Energy: 0.7039526814729646
Energy: 0.019447046931594873
Energy: 0.67159338561209
Energy: 0.7038042842069198
Energy: 0.713074709300524
Energy: 0.6747617908437307
Energy: 0.6818123694563545
Energy: 0.6513271363487187
Energy: 0.6739155140062065
Energy: 0.6716454978526953
Energy: 0.8281839157088282
Energy: 0.7178378228039681
Energy: 0.7082448688339229
Energy: 0.7271395799488808
Energy: 0.720042601280739
Energy: 0.6959712665097514
Energy: 0.848582240821523
Energy: 0.6883995147247937
Energy: 0.686300602091378
Energy: 0.6914719592207748
Energy: 0.6923546358065532
Energy: 0.6736278268378622
Energy: 0.7380977634856889
Energy: 0.6873892344930183
Energy: 0.6859226987168452
Energy: 0.6632337678881794
Energy: 0.6749151313983552
Energy: 0.6950966437008117
Energy: 0.7424938282079566
Energy: 0.689076442860908
Energy: 0.686630420405752
Energy: 0.6804180921244399
Energy: 0.6901392601679917
Energy: 0.6864637354378087
Energy: 0.7415800001018908
Energy: 0.6990287298053228
Energy: 0.7027455924235952
Energy: 0.6873175755187266
Energy: 0.6628815858570383
Energy: 0.6959354043454551
Energy: 0.9738953491880762
Energy: 0.6646279027209891
Energy: 0.6638189024155234
Energy: 0.7047093864047657
Energy: 0.6645722242707324
Energy: 0.6628847109137217
Energy: 0.9746057370099807
Energy: 0.7672823841615126
Energy: -0.9265407367400771
Energy: 0.6763951721852548
Energy: 0.6846336076088452
Energy: 0.6857536743980711
Energy: 0.6853419373866018
Energy: 0.6866755191453916
Energy: 0.6630608925658973
Energy: 0.6412452654750016
Energy: 0.6882434167614777
Energy: 0.6625891189811672

minimum gb energy = -0.9265407367400771 eV
minimum distance =  2.37847037887853 Angstroms
sigma value = 11


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

Energy: 0.910419614170422
Energy: 0.9543048568268787
Energy: 0.834271585295454
Energy: 0.860084894944402
Energy: 0.8700474530175814
Energy: 0.9104337641728864
Energy: 1.1183315007431545
Energy: -0.23336993128105502
Energy: -0.39386715271291073
Energy: 0.7428410758442494
Energy: -0.6181792142791368
Energy: 0.8191826756363282
Energy: 1.1955760331145244
Energy: 0.8201798240039966
Energy: 0.8191896850389774
Energy: 0.7905528672281559
Energy: 0.8216896556744527
Energy: 0.8220912547076831
Energy: 0.9023821611574259
Energy: 0.824310190510424
Energy: 0.797745216173275
Energy: 0.7906269975641967
Energy: 0.825421874878918
Energy: 0.7963930863612104
Energy: 0.9176632476435088
Energy: 0.830628971451536
Energy: 0.8300043862781014
Energy: 0.4743052579366611
Energy: 0.8136039333009467
Energy: 0.829318053151567
Energy: 0.9027214939036625
Energy: 0.8322616385496008
Energy: 0.8332504746648588
Energy: 0.8293700902187112
Energy: 0.832209872510629
Energy: 0.8339800681957675
Energy: 0.9317430363415015
Energy: 0.8332074090499029
Energy: 0.8342995767724847
Energy: 0.8297015548273777
Energy: 0.8274721676539978
Energy: 0.8245866116702956
Energy: 1.0226091367453793
Energy: 0.8299215318045943
Energy: 0.829722523770106
Energy: 0.7767663248946546
Energy: 0.8208853018624211
Energy: 0.8297451440314896
Energy: 0.8950609016352977
Energy: 0.8257048719209814
Energy: 0.823654331480883
Energy: 0.8273047875653485
Energy: 0.8288563353068226
Energy: 0.824720918603911
Energy: 0.8918228131961908
Energy: 0.7952444543502812
Energy: 0.7959762833286635
Energy: 0.8256640433487517
Energy: 0.7889516750732378
Energy: 0.8244325074047616
Energy: 0.9772440889247858
Energy: -0.13983998346158924
Energy: 0.404481378449125
Energy: -0.18511545231123996
Energy: 0.5490572312316242
Energy: 0.8330407592858933
Energy: 0.9031002001350534
Energy: 0.821316831127175
Energy: 0.79990936608493
Energy: -1.3099554415635946
Energy: 0.8009841634719528
Energy: 0.8108494735044298
Energy: 0.9160499971919498
Energy: 0.7394957593349493
Energy: 0.7957793889885227
Energy: 0.8191830158756558
Energy: 0.7388971269215127
Energy: 0.5244596921113541
Energy: 0.8907704514876206
Energy: 0.8513380100959053
Energy: 0.8310521628725945
Energy: 0.8232625673365301
Energy: 0.820883840937311
Energy: 0.8337342881512969
Energy: 0.9173240647626264
Energy: 0.8317982187118866
Energy: 0.8296453447547653
Energy: -0.5157772040415649
Energy: 0.830277192633688
Energy: 0.8292013025762481
Energy: 0.9739557458631867
Energy: 0.8327563283753217
Energy: 0.8314106096548847
Energy: 0.7538106623566532
Energy: 0.8306834923027493
Energy: 0.8313760200905442
Energy: 0.958247832770472
Energy: 0.832023845821036
Energy: 0.8308177447813152
Energy: 0.849276043156048
Energy: 0.8321033403039936
Energy: 0.8308452610774346
Energy: 0.8773064211783724
Energy: 0.7965710602458154
Energy: 0.8365340540587761
Energy: 0.8495069061842024
Energy: 0.7982592636875381
Energy: 0.8199380717844531
Energy: 0.924627969714929
Energy: 0.8315715994722168
Energy: 0.8306471323173492
Energy: 0.7958977450976572
Energy: 0.7960809136706256
Energy: 0.8300083737968214
Energy: 0.9094590822170271
Energy: 0.8199077953715352
Energy: 0.819076671593952
Energy: 0.8199639818126461
Energy: 0.8213454330366767
Energy: 0.8043048583890844
Energy: 1.0740354631358833
Energy: 0.825525942602316
Energy: 0.7545104409459441
Energy: 0.2981962242224313
Energy: 0.8237778546653544
Energy: -0.14747439755639352
Energy: 0.9423248034710353
Energy: 0.7990889210849013
Energy: 0.7977362035548111
Energy: 0.7738395458042392
Energy: -0.2577861114020618
Energy: 0.7595992305445091
Energy: 0.8950256813044782
Energy: 0.8390706474230241
Energy: 0.811293442826984
Energy: 0.8119934438085675
Energy: 0.8407511049325905
Energy: 0.8352473014773064
Energy: 1.0996480874048873
Energy: 0.334466484005398
Energy: 0.8309053073126109
Energy: 0.12538595921464082
Energy: 0.8637120701963477
Energy: 0.8317600345338854
Energy: 0.9446785409765043
Energy: 0.8607128867901084
Energy: 0.8448276019145664
Energy: -0.3460373750230848
Energy: 0.8347954480628512
Energy: 0.8284197882969602
Energy: 0.912243347110641
Energy: 0.1079538066608494
Energy: 0.8299090504866905
Energy: 0.8318359814083296
Energy: 0.7639926864100506
Energy: 0.8297967319496519
Energy: 0.9158769387339144
Energy: 0.8320970125023729
Energy: 0.8315704568439866
Energy: 0.8298547537563068
Energy: 0.813974017528346
Energy: 0.830804922901888
Energy: 0.9105751758809931
Energy: 0.8451293782428203
Energy: 0.8291910422950376
Energy: 0.8297129468916182
Energy: -0.234377807389822
Energy: 0.8286744518309921
Energy: 0.9248147337030964
Energy: 0.8246003447129804
Energy: 0.8241752662707713
Energy: -0.1465438176545699
Energy: 0.8228332692132795
Energy: 0.8229018918945371
Energy: 1.1925801385527004
Energy: 0.7684695619677295
Energy: 0.8510293844281044
Energy: 0.7372398894304635
Energy: 0.7772192161617262
Energy: 0.8318984939805056
Energy: 0.8607839215976972
Energy: 0.8477709374570496
Energy: 0.8442333542531458
Energy: 0.8067303098694091
Energy: 0.8512699677830357
Energy: 0.8441023806966863

minimum gb energy = -1.3099554415635946 eV
minimum distance =  2.34439084871686 Angstroms
sigma value = 57


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

Energy: 1.6385910225036213
Energy: 0.9592487853855655
Energy: 0.9560918898516567
Energy: 0.9556329557810089
Energy: 1.0178244498893867
Energy: 0.9543687425782984
Energy: 1.070967718488417
Energy: 0.9669669395437513
Energy: 0.966279633918863
Energy: 0.9642457789054083
Energy: 0.9675912228032292
Energy: 0.9247267165794045
Energy: 1.2155995269220479
Energy: 0.9044882593969658
Energy: 0.9038336992425813
Energy: 1.0169531149644735
Energy: 0.9056960200025321
Energy: 0.968602791546421
Energy: 1.0519160428302594
Energy: 0.9250887366861348
Energy: 0.9244795430654855
Energy: 0.9665604383655667
Energy: 0.9093260279612762
Energy: 0.9235909992349202
Energy: 1.0222467828960828
Energy: 0.9256560629651062
Energy: 0.9223752933570918
Energy: 0.9641324126922706
Energy: 0.966708592384216
Energy: 0.9211627281629016
Energy: 1.0510281439564333
Energy: 0.9700928085829083
Energy: 0.9255762114225089
Energy: 0.9279483740324005
Energy: 0.9640727447681882
Energy: 0.9240661060780355
Energy: 1.0687401517951705
Energy: 0.911347543655396
Energy: 0.9094735013237188
Energy: 0.9637860078841158
Energy: 0.9100843087322046
Energy: 0.9229733917884386
Energy: 1.1988160541646806
Energy: 0.9279420330606756
Energy: 0.9235978575995474
Energy: 0.96574944752949
Energy: 0.9286483019932631
Energy: 0.9240900630512231
Energy: 1.089741448112914
Energy: 0.9671246972741415
Energy: 0.9101818643590482
Energy: 0.9125097325354422
Energy: 1.0155968350732412
Energy: 0.9094864467457289
Energy: 1.0905195306551834
Energy: 0.9670852823797306
Energy: 0.9101871720952144
Energy: 0.9121252757103886
Energy: 0.9673694406031524
Energy: 0.9092074073987225
Energy: 1.1983565570901002
Energy: 0.9250060829697524
Energy: 0.9239916719686658
Energy: 0.9649729226200735
Energy: 0.928868059284781
Energy: 0.9257969538208664
Energy: 1.0520220758600558
Energy: 0.9040298955148335
Energy: 0.9044644283074176
Energy: 0.9678195110110955
Energy: 0.9057180077573265
Energy: 0.9672450016565781
Energy: 1.0524929622780432
Energy: 0.9651910781318628
Energy: 0.9247802780957582
Energy: 0.9681867553213273
Energy: 0.9675222668895996
Energy: 0.9225961631042676
Energy: 1.0520477343240662
Energy: 0.925423320276002
Energy: 0.9227080153911018
Energy: 0.9279007742959671
Energy: 0.9968473102984396
Energy: 0.9230935559446568
Energy: 1.0194008933590906
Energy: 0.9094784484556186
Energy: 0.9211082826904662
Energy: 0.9287671035504039
Energy: 0.9097302472236576
Energy: 0.9209001400903163
Energy: 1.2036310847364202
Energy: 0.9118944958394135
Energy: 0.9108650807133768
Energy: 0.9277586302166875
Energy: 0.9089128374694773
Energy: 0.9236272128357609
Energy: 1.0697399320820145
Energy: 0.9679180737674886
Energy: 0.9668795834204551
Energy: 0.9486846830713067
Energy: 0.9676324826532261
Energy: 0.9260847034177476

minimum gb energy = 0.9038336992425813 eV
minimum distance =  2.36068281591737 Angstroms
sigma value = 9


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

Energy: 1.1082189958764934
Energy: 0.9424974375486131
Energy: 0.962657676173433
Energy: 0.4251603426879978
Energy: 0.1268382100504583
Energy: 0.962336195721486
Energy: 1.183244069468357
Energy: 0.8702304756098936
Energy: 0.9338974076211052
Energy: -0.8878206458654706
Energy: 0.9009986383593375
Energy: 0.9108296704080034
Energy: 1.0670427345761622
Energy: -0.04069003558385333
Energy: 0.8971397223114342
Energy: 0.9554599082507673
Energy: -0.0006055080735146933
Energy: 0.8678466371163152
Energy: 1.044007458792671
Energy: 0.9018890910389927
Energy: 0.785796242011053
Energy: 0.8399265402329787
Energy: 0.9234935420051212
Energy: 0.5192302112768097
Energy: 0.9968617620382754
Energy: 0.9091768392109432
Energy: 0.933099016979099
Energy: 0.8684038417296739
Energy: 0.9451460493714592
Energy: 0.8715850920835269
Energy: 0.9969295222905413
Energy: 0.8223771348619565
Energy: 0.9103587610896081
Energy: 0.7769725324692962
Energy: 0.9074837679056145
Energy: 0.9106719586936343
Energy: 1.0508878224317817
Energy: 0.8827172254988341
Energy: 0.9534946880436281
Energy: 0.2929506559422795
Energy: 0.9259686019681931
Energy: 0.9543061511246335
Energy: 1.133111856784893
Energy: 0.8650463521259002
Energy: 0.8434342098631817
Energy: 0.9040235046571401
Energy: 0.9011237430254504
Energy: 0.8916872888841983
Energy: 1.1010909866287544
Energy: 0.9062000995238992
Energy: 0.892299219317847
Energy: 0.9228496103841206
Energy: 0.9256903503597539
Energy: 0.873642183378171
Energy: 1.0997108282213375
Energy: 0.8960877429790923
Energy: 0.9352846255742131
Energy: 0.9550003179393629
Energy: 0.8705743199723364
Energy: 0.8594055987798123
Energy: 1.1309463224211613
Energy: 0.916545832112975
Energy: 0.9567998959086221
Energy: 0.6678298325695016
Energy: 0.9287095980246454
Energy: 0.9568873511488261
Energy: 1.0657314497993968
Energy: 0.6389138812058405
Energy: -1.0042165979201785
Energy: 0.8942805181626368
Energy: 0.6880512199565171
Energy: 0.9101452007849614
Energy: 1.019124978123425
Energy: 0.8281753040875559
Energy: 0.9182915190827157
Energy: 0.9669176562151689
Energy: 0.7497039995546129
Energy: 0.8288055872056376
Energy: 1.1619621978514174
Energy: 0.5381524416715052
Energy: 0.9009217243179414
Energy: 0.9654486971283008
Energy: 0.8926480275119365
Energy: 0.9630484246682296
Energy: 1.0626922484817545
Energy: 0.8881662080679175
Energy: 0.44495105937363805
Energy: 0.8248626234419688
Energy: 0.9034823742747872
Energy: 0.9439304135937566
Energy: 1.0115754540374493
Energy: 0.8773903488644024
Energy: 0.863249448349472
Energy: -0.9982902678835673
Energy: 0.9298970470665078
Energy: 0.8606672728241728
Energy: 1.0012926851113844
Energy: 0.29446961048299464
Energy: 0.2975400448024741
Energy: 0.8607611263969983
Energy: -0.8867506816939337
Energy: 0.8504554208860986
Energy: 1.0102419397612818
Energy: 0.8965208464476747
Energy: 0.8497915350299674
Energy: 0.27652563996205637
Energy: 0.8642224492666514
Energy: 0.932442102749109
Energy: 1.0492954262976195
Energy: 0.7361099614643641
Energy: 0.8623767905168537
Energy: -0.872873646455829
Energy: -0.9326248093686974
Energy: 0.8606026942914952
Energy: 1.0677185573840666
Energy: 0.7340092541083953
Energy: 0.9095557952710367
Energy: 0.9064225939489328
Energy: 0.9369859671138958
Energy: 0.9011139668017879
Energy: 1.092292899804116
Energy: 0.9348190035622695
Energy: 0.9333827535788922
Energy: 0.9007900613864631
Energy: 0.9059841710623735
Energy: 0.9628463110437545

minimum gb energy = -1.0042165979201785 eV
minimum distance =  2.3393385769487 Angstroms
sigma value = 27


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

Energy: 1.3897164272078555
Energy: 0.9630159259056055
Energy: 0.961706433068317
Energy: 0.958896853664295
Energy: 0.9472385826796244
Energy: 0.9712859959747236
Energy: 1.086065471038762
Energy: 0.9672401062183077
Energy: 0.9679150980858272
Energy: 0.9116827258303655
Energy: 0.9179607652602085
Energy: 0.9952267614090756
Energy: 1.0608497884892172
Energy: 0.906431586923024
Energy: 0.9299196934913716
Energy: 0.9706587094722404
Energy: 0.9871969150097524
Energy: 0.9551029033729433
Energy: 1.0922163674654384
Energy: 0.9634286961242217
Energy: 0.9621285513924928
Energy: 0.24028734705191088
Energy: 0.9638006631926617
Energy: 0.482989686431562
Energy: 1.0492879704374876
Energy: 0.9729944975720254
Energy: 0.9713439895954695
Energy: 0.9945837992684671
Energy: 0.9670006467814691
Energy: 0.9686932169503643
Energy: 1.0640333460095153
Energy: 0.39269039296787533
Energy: 0.3592708925974471
Energy: 0.9772819502337815
Energy: 0.42013359837004016
Energy: 0.9270834701316745
Energy: 1.0898930466728398
Energy: 1.0041259630680244
Energy: 1.005076849291618
Energy: 0.9077191131183591
Energy: 0.9950819472760135
Energy: 0.9972047273841936
Energy: 1.053365855895241
Energy: 0.9756709755917601
Energy: 0.8142834557121549
Energy: 0.7356288489062192
Energy: 0.9744163185466153
Energy: 0.4734185976484662
Energy: 1.3079879744120984
Energy: 0.9170935473138893
Energy: 0.9650707166750271
Energy: 0.9559623500458048
Energy: 0.9644265559471952
Energy: 0.9630117859295959
Energy: 1.3079634658757815
Energy: 0.852442594969904
Energy: 0.9558588770435269
Energy: 0.9588149023787841
Energy: 0.8950532571490014
Energy: 0.9569603742354877
Energy: 1.070941090248674
Energy: 0.941019645357975
Energy: 0.9896737886225295
Energy: 0.9719603140398352
Energy: 0.9150245878786216
Energy: 0.9892785590482762
Energy: 1.1053708130089581
Energy: 0.981085629086257
Energy: 0.9858876793153829
Energy: 0.6514331576689614
Energy: 0.9273758046281717
Energy: 0.9813108428484776
Energy: 1.0481884996056592
Energy: 0.9312788428315574
Energy: 0.9987302293776104
Energy: 0.997007769817443
Energy: 1.0138788547657367
Energy: 1.0053889272462764
Energy: 1.0422563811599368
Energy: 0.9045138502030516
Energy: 0.9852375600526445
Energy: 0.9741492648676957
Energy: 0.9032576303941301
Energy: 0.9942586500194295
Energy: 1.1313623105001647
Energy: 0.9210270207021493
Energy: 0.9882100658278479
Energy: 0.495616078052906
Energy: 0.9253044514401395
Energy: 0.9877069071611835
Energy: 1.0818715273535535
Energy: 0.921570075726202
Energy: 0.6576894807684867
Energy: 0.905036215857955
Energy: 0.9119462641401274
Energy: 0.9598178361876298
Energy: 1.0502404555238338
Energy: 0.9844057740377973
Energy: 0.9698977065139901
Energy: 0.932675652424593
Energy: 0.9569672385205844
Energy: 0.967334776461178
Energy: 1.10649101012293
Energy: 0.979342058254916
Energy: 0.9619900959830562
Energy: 0.9550125316368716
Energy: 0.9607753055124121
Energy: 0.9564682617174952
Energy: 1.0483685239878737
Energy: 0.9925029853731242
Energy: 0.9946012854093663
Energy: -0.12361092812354432
Energy: 0.995634674974293
Energy: 0.9958583707513122
Energy: 1.0587398833816595
Energy: 0.992565415896518
Energy: 0.9941422041377587
Energy: 0.9639942560697872
Energy: 0.9944691190051809
Energy: 0.9968972361086431
Energy: 1.2843871637265092
Energy: 0.9742159500616406
Energy: 0.971886675814905
Energy: 0.968395190333421
Energy: 0.8816853722669452
Energy: 0.9597629861650434
Energy: 1.0466763997204291
Energy: 0.9397594759345832
Energy: 1.005151915970844
Energy: 0.9923304310113087
Energy: 0.9114686576614864
Energy: 0.9932766856349367
Energy: 1.0720042492475437
Energy: 0.964400647006806
Energy: 0.9799795025697482
Energy: 0.9393770044055745
Energy: 0.9554233951720309
Energy: -1.1616360963347656
Energy: 1.097780579861052
Energy: 0.9652348546549612
Energy: 0.963876929259734
Energy: 0.9526411868754082
Energy: 0.964743659452512
Energy: -0.7797762852455018
Energy: 1.1036009209975075
Energy: -0.04050550950155932
Energy: 0.9565220785966784
Energy: 0.9883682414721919
Energy: 0.23775962448375693
Energy: 0.9517078270918521

minimum gb energy = -1.1616360963347656 eV
minimum distance =  2.32053735155888 Angstroms
sigma value = 19


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

Energy: 1.1565450797891224
Energy: 0.8920207649434805
Energy: 0.8285751763622217
Energy: 0.8788971372985476
Energy: 0.8742715864879498
Energy: 0.8526671991192799
Energy: 1.1682621846864316
Energy: 0.25895808736941756
Energy: 0.8576808413257085
Energy: 0.8478295549830683
Energy: 0.17859880586478738
Energy: 0.835476705902399
Energy: 1.031669815279029
Energy: 0.8801146867004095
Energy: 0.8791384682829091
Energy: 0.7893581632987782
Energy: 0.85065597667617
Energy: 0.8792779928758657
Energy: 1.0433164257258467
Energy: 0.8059606809074265
Energy: 0.8588581120030326
Energy: 0.864373448212466
Energy: 0.8610224160200886
Energy: 0.8751886411296942
Energy: 1.0412450385318686
Energy: 0.6719996209203513
Energy: 0.8185933293293518
Energy: 0.9007496827895598
Energy: 0.11220094911947137
Energy: 0.8176034209918597
Energy: 1.0459667665498058
Energy: 0.8075914870666856
Energy: 0.8850923031168136
Energy: 0.22556048680763013
Energy: 0.8052946318939299
Energy: 0.8620220866591286
Energy: 1.0275633326568567
Energy: 0.8827498947586213
Energy: 0.8763430416273948
Energy: 0.8778783434337206
Energy: 0.8833035912262908
Energy: 0.8840456414591699
Energy: 1.0167755841702875
Energy: 0.8569829249830438
Energy: 0.8046201913358969
Energy: 0.7496003299803203
Energy: 0.8571111167726999
Energy: 0.8090994007320634
Energy: 1.050405888347907
Energy: 0.8506951036423668
Energy: 0.36106721247940954
Energy: 0.3455665885350834
Energy: 0.8875913587312102
Energy: 0.6489311405944125
Energy: 1.0377421912998652
Energy: 0.8353603710307829
Energy: 0.8346104315637759
Energy: 0.8221303078297652
Energy: 0.8340832214459889
Energy: 0.8401019044636082
Energy: 1.0058381717452796
Energy: 0.8482842842420888
Energy: 0.8734496927276517
Energy: 0.8624790755637477
Energy: 0.8544451313377599
Energy: 0.8724384579137369
Energy: 1.1141945583251112
Energy: 0.8953147631236047
Energy: 0.8846289063390408
Energy: 0.8454149358246504
Energy: 0.820517595940578
Energy: 0.8863669599485773
Energy: 1.059723499924273
Energy: 0.9020070312168448
Energy: 0.8492795651849862
Energy: 0.809597651688307
Energy: -0.9012805599382041
Energy: 0.8489976431795301
Energy: 1.1043738572777198
Energy: 0.7408812169380532
Energy: 0.786214386776891
Energy: 0.7592788290297683
Energy: 0.7114605396932606
Energy: 0.784614224045637
Energy: 1.0120144620248304
Energy: 0.4306896552349895
Energy: 0.08168887760809483
Energy: 0.7896785056629774
Energy: 0.3778072631312489
Energy: 0.8648841620044131
Energy: 1.0928780072221604
Energy: 0.8810304289847192
Energy: 0.8760339224861134
Energy: 0.8543177504960865
Energy: 0.559252751743169
Energy: 0.8401451333838642
Energy: 1.0552203286379183
Energy: 0.8798199045928803
Energy: 0.883614044586624
Energy: 0.8246357689155671
Energy: 0.8572763024440883
Energy: 0.8809517839102806
Energy: 1.079494602424068
Energy: 0.8329272781720732
Energy: 0.8303356094571736
Energy: 0.9143435081911963
Energy: 0.8534884494402348
Energy: 0.8382737444459339
Energy: 1.0562565001593556
Energy: 0.8636228464971177
Energy: 0.8635033891568988
Energy: 0.7729275392162483
Energy: 0.8686495429690823
Energy: 0.8679321806284884
Energy: 1.011789939767757
Energy: 0.8462344296968771
Energy: 0.8633421396279242
Energy: 0.8125836694684387
Energy: 0.8694215793868004
Energy: 0.8742819069173837
Energy: 1.0401573258849925
Energy: 0.8318450057268457
Energy: 0.833624917602416
Energy: 0.41933089330372875
Energy: 0.8692441026188127
Energy: 0.9580253080298129
Energy: 1.0372359527650237
Energy: 0.8590474729005954
Energy: 0.8396960150988617
Energy: 0.5310797610660023
Energy: 0.848222821299806
Energy: 0.8893664209730655
Energy: 0.9871810578487842
Energy: 0.3385526883777251
Energy: 0.8441613014209679
Energy: 0.08176177204817484
Energy: 0.7370883219551997
Energy: 0.8779147951941708
Energy: 1.0111848788013402
Energy: 0.7990592458815687
Energy: 0.8607049619955559
Energy: 0.4150462406211628
Energy: 0.8997446864460791
Energy: 0.8460366946802681
Energy: 1.0724828655466727
Energy: 0.843479541646353
Energy: 0.8631213730424806
Energy: 0.8712292922350934
Energy: 0.8480882759605137
Energy: 0.8623029561899537
Energy: 1.057344865425782
Energy: 0.8421287116494723
Energy: 0.8627069876218325
Energy: 0.769184202159353
Energy: 0.8370533101421525
Energy: 0.8623366897632716
Energy: 1.0366982983802002
Energy: 0.8546471897768386
Energy: 0.850141407938675
Energy: 0.832418932335126
Energy: 0.8608482081921988
Energy: 0.8391460252644402
Energy: 1.0446672837990378
Energy: 0.8183998808890225
Energy: 0.8164120370466315
Energy: 0.8802253421623271
Energy: 0.3139472207280164
Energy: 0.8486274038819779
Energy: 1.0681803534146417
Energy: 0.522751213194809
Energy: 0.7676222253856636
Energy: 0.9233647059283431
Energy: 0.7471321328709176
Energy: 0.8871975839316092

minimum gb energy = -0.9012805599382041 eV
minimum distance =  2.32717350665599 Angstroms
sigma value = 101


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

Energy: 1.65994252719276
Energy: 0.9695328582494921
Energy: 0.8273719242817453
Energy: 0.877105730537146
Energy: -0.1941376946602843
Energy: 0.8676287222088206
Energy: 1.0429554929463956
Energy: 0.8451889283302584
Energy: 0.8817666463272679
Energy: 0.8545921519703826
Energy: 0.06476272071492334
Energy: 0.850340904161604
Energy: 0.9874980719457164
Energy: 0.8493206748197512
Energy: 0.847098372735606
Energy: 0.84262515051681
Energy: 0.8528777079049262
Energy: 0.8461859292333659
Energy: 0.9842446654070529
Energy: 0.8515835067902707
Energy: 0.8491308772640949
Energy: 0.8471323845918354
Energy: 0.8544501452288843
Energy: 0.8434450786206075
Energy: 1.0135281655767328
Energy: 0.8469771068247371
Energy: 0.8491419385327847
Energy: 0.8522505019634286
Energy: 0.842538630120349
Energy: 0.8231435437723627
Energy: 1.021911713667227
Energy: 0.8448481381190149
Energy: 0.8439257647121158
Energy: 0.15236024302222606
Energy: 0.8469847627659983
Energy: 0.8436905097330444
Energy: 1.0452110589930927
Energy: 0.8485307463692845
Energy: 0.844743922675305
Energy: 0.8294733242979305
Energy: 0.8479908822077379
Energy: 0.8420188389884817
Energy: 1.008482272204703
Energy: 0.8509649133254846
Energy: 0.8517660025591024
Energy: 0.0685896081711754
Energy: 0.8544683847448621
Energy: 0.8423286884005111
Energy: 1.0077664894126475
Energy: 0.8762918117372104
Energy: 0.8843127286778153
Energy: -0.1988658805529194
Energy: 0.8427587619919609
Energy: 0.8587615711552247
Energy: 1.0096740477715045
Energy: 0.8409527345138514
Energy: 0.8404041326774374
Energy: 0.8766186181700043
Energy: 0.84312456678274
Energy: 0.8403268006922747
Energy: 1.0166889342238163
Energy: 0.8565889888866808
Energy: 0.8519907550950458
Energy: 0.8465833004306305
Energy: 0.8593815645248346
Energy: 0.8494096703419389
Energy: 0.9792930134324208
Energy: 0.8559230885015193
Energy: 0.8493420082428389
Energy: 0.8624527273235301
Energy: 0.8504528339431311
Energy: 0.8481019613257474
Energy: 1.0189255092955527
Energy: 0.8665262173795479
Energy: 0.8469589584309669
Energy: 0.850138307441046
Energy: 0.8454627742031557
Energy: 0.8490784326164851
Energy: 1.0143228466584817
Energy: -0.2760214210711329
Energy: -0.27565541081337724
Energy: 0.8461766544607181
Energy: -0.06988192803871417
Energy: 0.8306093895208878
Energy: 0.9776751039089637
Energy: -0.03609809883462278
Energy: 0.8564660837431596
Energy: 0.8499230808967084
Energy: -0.1299603025841948
Energy: 0.8723099676084995
Energy: 0.9876278046982773
Energy: 0.8743501617556642
Energy: 0.8421386493611525
Energy: 0.8469954718917878
Energy: -0.040344386277562184
Energy: 0.8436936624612615
Energy: 1.0152829427631358
Energy: 0.8111231860482376
Energy: 0.8387723210020404
Energy: 0.8569480738041962
Energy: 0.8145391722102692
Energy: 0.8518663316950534
Energy: 1.0419803278736546
Energy: 0.06368021900706611
Energy: 0.06463890691895649
Energy: 0.8584552471525729
Energy: 0.06424357366817716
Energy: 0.8374228079615009
Energy: 0.9884894237924132
Energy: 0.8521026899843178
Energy: 0.8491450454415201
Energy: 0.8419221496914905
Energy: 0.8525887546796498
Energy: 0.8461024900716724
Energy: 0.9782978477144727
Energy: 0.8518138832547861
Energy: 0.8494685576589377
Energy: 0.8491228012797041
Energy: 0.8528914417758575
Energy: 0.8496345225289005
Energy: 1.0134715286571847
Energy: 0.8454265142532373
Energy: 0.8486256639194246
Energy: 0.8394339799454263
Energy: 0.8459149498585993
Energy: 0.8415858470678131
Energy: 1.0212048132240552
Energy: 0.8454286164645196
Energy: 0.8486753912333392
Energy: 0.15312956184482196
Energy: 0.8801768449495028
Energy: 0.8495394037673625
Energy: 0.9972921614291446
Energy: 0.8706551202105488
Energy: 0.871854154039555
Energy: -0.05733661327146379
Energy: -0.6343986065394089
Energy: 0.8650182743390028
Energy: 0.9722479300052029
Energy: 0.8253531388121166
Energy: -0.6328733084980153
Energy: 0.8336012080974526
Energy: 0.8576205813898448
Energy: -0.3960387314652135
Energy: 1.0069523091046846
Energy: 0.8749271634309985
Energy: 0.872014856441116
Energy: 0.8771239194744861
Energy: 0.8546201732439018
Energy: 0.8721010103196063
Energy: 1.0072954005376529
Energy: 0.8475048941570767
Energy: 0.8759464833821341
Energy: 0.856343613547044
Energy: 0.851177727593138
Energy: 0.8748961234454874
Energy: 1.0161332486138934
Energy: 0.8557780206503423
Energy: 0.8545129869327859
Energy: 0.8449056611796797
Energy: 0.8571809236369037
Energy: 0.8512172119940197
Energy: 0.9771634817163163
Energy: 0.8581796155880436
Energy: 0.8570055254583638
Energy: 0.8517457359412236
Energy: 0.8590233179576356
Energy: 0.8474667528286398
Energy: 1.0202236156392368
Energy: -0.16643142213008955
Energy: 0.09168906641451918
Energy: 0.8461624028049037
Energy: -0.0142291267657653
Energy: 0.09127252748314836
Energy: 1.0215252571120894
Energy: -0.014058750086687112
Energy: 0.8730469696263238
Energy: 0.8474465961182649
Energy: -0.014035145987044605
Energy: 0.09037624173044309
Energy: 0.9766125159398072
Energy: 0.871821468578884
Energy: 0.87440459395417
Energy: 0.8503451060668179
Energy: 0.8763739818515567
Energy: 0.8746850661300729
Energy: 0.9876795972384019
Energy: 0.873042960917584
Energy: 0.8716251177151634
Energy: 0.8560251935616525
Energy: 0.8757893691374998
Energy: 0.8724416952278538
Energy: 1.0152343583404735
Energy: -0.12635746800890332
Energy: 0.4228528011204892
Energy: 0.8561617548229811
Energy: -0.12656213202673225
Energy: 0.42236526871979807

minimum gb energy = -0.6343986065394089 eV
minimum distance =  2.39309873214085 Angstroms
sigma value = 33


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

Energy: 0.018552585244116057
Energy: 0.01932937429737681
Energy: 0.019408367132230063
Energy: 0.020311000774872936
Energy: 1.0935139486370846
Energy: 0.02624936718784885
Energy: 0.01913509042882817
Energy: 0.10865604206025077
Energy: 0.11061042468244477
Energy: 0.11219755244455068
Energy: 0.11054456514200449
Energy: 0.10801449440075792
Energy: 1.4371495073430003
Energy: 1.0849454982262314
Energy: 1.0835302231627324
Energy: 1.0876577488514472
Energy: 1.086481016891479
Energy: 1.0848602539980838
Energy: 0.01913509042882817
Energy: 0.10865604206025077
Energy: 0.11061042468283984
Energy: 0.11219755244539022
Energy: 0.11054456514244895
Energy: 0.10801449440036284

minimum gb energy = 0.018552585244116057 eV
minimum distance =  2.51700086229221 Angstroms
sigma value = 1