Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1435002833604813
cohesive_energy=6.694239684074787
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.34331150135572e-19, 3.4944754128847197e-19, 4.4317006784757e-19, 5.230594013487119e-19, 5.92787730637026e-19, 6.544298744535419e-19, 7.09280391518532e-19, 7.5829257692922595e-19, 8.02310777771742e-19, 8.419149819875879e-19, 8.77581036037062e-19, 9.09528438119022e-19, 9.379830951388619e-19, 9.631917422982179e-19, 9.853578560296079e-19, 1.0046608801160399e-18, 1.0212578278676458e-18, 1.0352848842983159e-18, 1.0469102779546199e-18, 1.0563150547961999e-18, 1.0634879995866179e-18, 1.06851562986411e-18, 1.071478054460376e-18, 1.072450575677214e-18, 1.0713931390987738e-18, 1.067948459335674e-18, 1.061735218349022e-18, 1.052219891319696e-18, 1.03861901387367e-18, 1.020099454161264e-18, 9.956486365497898e-19, 9.64015261088094e-19, 9.236500229710979e-19, 8.72631912414636e-19, 8.085384383480999e-19, 7.28375132642544e-19, 6.282567169605179e-19, 5.03117108785314e-19, 3.4643865356982e-19, 1.502143133679576e-19, -9.712843364765519e-20, -4.11373270369206e-19, -8.138400408300059e-19, -1.334078009126244e-18, -2.0151376614134998e-18, -2.9193901318767598e-18, -4.14245973073968e-18, -5.83310855846916e-18, -8.232352046117819e-18, -1.175440091887368e-17, -1.71522621729504e-17, -2.5909279001404198e-17, -4.12634183380164e-17, -7.141798476653039e-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: 0.017071116287865853
Energy: -1.710840295358251
Energy: -0.7112345007346949
Energy: 0.017231300839953466
Energy: -1.7108633187673414
Energy: -2.737325543001724
Energy: -1.6695502893575938
Energy: -2.737325543001724
Energy: -0.7239453788587674
Energy: -1.6695507172060082
Energy: -0.9802100429058423
Energy: -1.6695385914640948
Energy: 0.017231300839953466
Energy: -2.7373255430025534
Energy: -1.669545667291841
Energy: -2.7373255429993275

minimum gb energy = -2.7373255430025534 eV
minimum distance =  2.76303506487124 Angstroms
sigma value = 1


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

Energy: 2.275925286272391
Energy: 1.0487630390205773
Energy: 0.9246679157253453
Energy: 1.337807188685719
Energy: 2.7709270217804187
Energy: 0.9271954913625592
Energy: 0.9333258322431907
Energy: 0.9271954913595413
Energy: 2.752771213627284
Energy: 0.9237079202983253
Energy: 0.9270742242506371
Energy: 0.9237079202973192
Energy: 2.6529426507914713
Energy: 0.931338631077187
Energy: 0.9264360723928423
Energy: 0.931338629571871
Energy: 2.063316511633045
Energy: 0.9339759440548355
Energy: 1.1554794602060026
Energy: 0.9339759440659012
Energy: 2.743185673772701
Energy: 0.9191758624107091
Energy: 1.3179191575101734
Energy: 0.9191758624097032
Energy: 2.08503168086388
Energy: 0.9264935091130041
Energy: 1.3153429283498506
Energy: 0.926493509115016
Energy: 1.993128398128103
Energy: 0.9213110157438151
Energy: 1.3179948390395568
Energy: 0.9213110157639349
Energy: 1.6341908653225636
Energy: 0.9900955930113606
Energy: 1.315086953207782
Energy: 0.9900955930153845
Energy: 2.0744142377932566
Energy: 1.0469660559456635
Energy: 2.0886134433803183
Energy: 1.0469660559476757
Energy: 1.898031736853899
Energy: 0.9233391088000817
Energy: 1.8620788287987307
Energy: 0.9233391088141655
Energy: 1.3197143496872492
Energy: 0.9109758145312374
Energy: 2.1088630142465052
Energy: 0.9109758145332495
Energy: 1.3278767467492463
Energy: 0.9184309979632433
Energy: 2.0437127508883024
Energy: 0.918430997916968
Energy: 1.2919023302624182
Energy: 0.9212102097953013
Energy: 2.746242374530498
Energy: 0.9212102098184388
Energy: 1.3119141424889162
Energy: 0.9362640849474746
Energy: 2.3094144867036164
Energy: 0.9362640849404327
Energy: 0.9241724922388687
Energy: 0.9286510255899249
Energy: 2.687298128708004
Energy: 0.9286510255909309
Energy: 0.9317257791267016
Energy: 0.92342220461201
Energy: 2.634019371861226
Energy: 0.9234222045818304
Energy: 0.926842035874193
Energy: 0.9255168963669425
Energy: 2.767983827071816
Energy: 0.9255168963679485
Energy: 0.9251132679594009
Energy: 0.9365222345802651
Energy: 2.504846052400547
Energy: 0.9365222345993787
Energy: 1.0406475288474666
Energy: 0.923607742532328
Energy: 2.7075228536790945
Energy: 0.9236077424971186
Energy: 1.0662495413751252
Energy: 0.9268165654682786
Energy: 2.4558180739983286
Energy: 0.9268165654662667
Energy: 1.070637077346982
Energy: 0.9261197296485448
Energy: 2.5518009357487985
Energy: 0.9261197296495508
Energy: 1.0615853316565342
Energy: 0.9179031866759615
Energy: 2.1042389442038996
Energy: 0.9179031866789794
Energy: 1.6350778459358009
Energy: 0.9255166356706586
Energy: 2.5518915707086713
Energy: 0.9255166357239757
Energy: 1.6629492561670765
Energy: 1.0583990198058961
Energy: 1.8668555023158762
Energy: 1.0583990198038842
Energy: 1.6543144021473708
Energy: 1.0473753629981382
Energy: 1.6194849024836515
Energy: 1.047375363002162
Energy: 1.6182366653833635
Energy: 1.0005868839545673
Energy: 1.6496517100601238
Energy: 1.000586890896762
Energy: 2.542082813153873
Energy: 0.9223152276577437
Energy: 1.6393812707206026
Energy: 0.9223152277472302
Energy: 2.3437054717918433
Energy: 0.9168267321778317
Energy: 1.6300732206192707
Energy: 0.9168267321918698
Energy: 2.2805430497047934
Energy: 0.7527944435130886
Energy: 1.0552064835385455
Energy: 0.7551311018486058
Energy: 2.5048217259636965
Energy: 0.9247083107762414
Energy: 1.2386407743663892
Energy: 0.9247083107661817
Energy: 2.7313670218529564
Energy: 0.9142215347993269
Energy: 1.0589916696784922
Energy: 0.9142215347782012
Energy: 2.7091156015116686
Energy: 0.9388401965565776
Energy: 1.0528723092972516
Energy: 0.9388401965565776

minimum gb energy = 0.7527944435130886 eV
minimum distance =  2.60589577764105 Angstroms
sigma value = 1


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

Energy: 3.9636171990996956
Energy: 1.0481461322264018
Energy: 1.0415934448578892
Energy: 1.0124824221640933
Energy: 2.6326292820265165
Energy: 1.0511183266589197
Energy: 1.0550783690077956
Energy: 1.0511183266566257
Energy: 2.5901572410181215
Energy: 0.9896010382070032
Energy: 1.0388933158544478
Energy: 0.9896010154022068
Energy: 2.620749025377501
Energy: 0.9091482273275051
Energy: 1.054239286664456
Energy: 0.8276865727558822
Energy: 2.1465032485655535
Energy: 1.0476105174207673
Energy: 1.380512046587328
Energy: 1.0476105175400028
Energy: 2.651316761992005
Energy: 1.037526272945721
Energy: 1.3880700024668344
Energy: 1.0375262733103097
Energy: 2.1224025003751605
Energy: 1.2098631648282565
Energy: 1.407038311004843
Energy: 1.2098631648294036
Energy: 2.1882576688750186
Energy: 1.0334759331831809
Energy: 1.408662083832653
Energy: 1.033475933177446
Energy: 2.0978361053648014
Energy: 1.0411833957274634
Energy: 1.6587091101319238
Energy: 1.0411833957286105
Energy: 2.1803864674459703
Energy: 1.1967947740069946
Energy: 2.0627347614525777
Energy: 1.1967947740081415
Energy: 1.7733434917797928
Energy: 1.0417961912751965
Energy: 1.5990653637417067
Energy: 1.0417961912763436
Energy: 1.4155887097916504
Energy: 0.9032699759315224
Energy: 1.610537554588399
Energy: 0.9032119246280892
Energy: 1.4024023592739778
Energy: 1.1999854295009855
Energy: 2.173833724517564
Energy: 1.1999854295101615
Energy: 1.3721944801107542
Energy: 1.0344063323486519
Energy: 2.6593028781464954
Energy: 1.0344063323497987
Energy: 1.3962259775374013
Energy: 1.0464823984127074
Energy: 2.5889280028900035
Energy: 1.0464823984150013
Energy: 1.0479409019451975
Energy: 1.0542762564875927
Energy: 2.4001090939086263
Energy: 1.0542762564887396
Energy: 1.045718744452468
Energy: 1.0473699844617053
Energy: 2.6314432083684705
Energy: 1.0473699844628523
Energy: 1.042788401337793
Energy: 0.920768734801143
Energy: 2.6305002125024615
Energy: 0.889972646466264
Energy: 1.031361840999543
Energy: 1.0514607051490743
Energy: 2.145693673946128
Energy: 1.0514607051513682
Energy: 1.3162946515114389
Energy: 1.0480522212597194
Energy: 2.674382948427735
Energy: 1.0480522212631604
Energy: 1.386138327353789
Energy: 1.0462794620705809
Energy: 2.5839811356629587
Energy: 1.046279462039664
Energy: 1.3958421333401454
Energy: 1.0065860924542467
Energy: 2.178990376130651
Energy: 1.006586092445071
Energy: 1.389930313177165
Energy: 0.9993239340782621
Energy: 2.122407838273921
Energy: 0.9993239321819638
Energy: 2.130054816956191
Energy: 1.1922583646916498
Energy: 2.1148461426670693
Energy: 1.1922583646732976
Energy: 1.6157213796987417
Energy: 1.0401179581535864
Energy: 1.7508021260437958
Energy: 1.0401179581581743
Energy: 1.6204080434822183
Energy: 1.037419803570046
Energy: 1.3844751630577283
Energy: 1.037419803570046
Energy: 2.171737895268896
Energy: 1.2025159678389135
Energy: 1.404428122184515
Energy: 1.2025159678526254
Energy: 2.6146183539631824
Energy: 1.05623534244138
Energy: 1.379127019154395
Energy: 1.05623534244138
Energy: 2.538980640815477
Energy: 1.0484309889584966
Energy: 1.3936719728659617
Energy: 1.0484309889688195

minimum gb energy = 0.8276865727558822 eV
minimum distance =  2.61016576873436 Angstroms
sigma value = 25


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

Energy: 2.3543659429317234
Energy: 1.0523286288848541
Energy: 1.0607072602800642
Energy: 1.113764369726988
Energy: 2.1818039346390856
Energy: 1.085628454195805
Energy: 1.085593734812301
Energy: 1.085628454255776
Energy: 2.2112085796027054
Energy: 0.9880617064714239
Energy: 1.1059535568022671
Energy: 0.9953389147408103
Energy: 2.287548154315553
Energy: 1.0240785459740125
Energy: 1.0634291792932042
Energy: 1.0240855533915834
Energy: 1.7307695435615975
Energy: 0.940782193274704
Energy: 1.3197450588101463
Energy: 0.9407783450049335
Energy: 2.1809562006926098
Energy: 1.0682161670999504
Energy: 1.6210058617990417
Energy: 1.0682161426623733
Energy: 1.7718247534425688
Energy: 1.169153548735429
Energy: 1.663999432840891
Energy: 1.1691535477838366
Energy: 1.5469965647978117
Energy: 0.933152858015676
Energy: 1.7035884775845695
Energy: 0.9928299119948881
Energy: 1.592985265344088
Energy: 1.1441600805747283
Energy: 1.6524202978034326
Energy: 1.1441600466305615
Energy: 1.5279789944146709
Energy: 1.028220503010592
Energy: 2.1694765905908304
Energy: 1.0282204867722182
Energy: 1.287777307357394
Energy: 0.6360457641028556
Energy: 2.2981706645657916
Energy: 1.0249681839166183
Energy: 1.0960794208916438
Energy: 1.082380595475655
Energy: 2.323112892830456
Energy: 1.0823805955023218
Energy: 1.0117067348847224
Energy: 1.0307882951095
Energy: 2.183106007310972
Energy: 1.0307880899863524
Energy: 0.7775116532764687
Energy: 1.087606093221446
Energy: 2.1370890341806965
Energy: 1.0876060932360825
Energy: 1.0978871779518196
Energy: 0.9361592270143405
Energy: 1.8682733346038327
Energy: 0.9452232142669592
Energy: 1.2249737772913045
Energy: 1.1122525166902493
Energy: 2.167297137866673
Energy: 1.1122525166556125
Energy: 1.2321407668085802
Energy: 1.042679653492182
Energy: 2.287931421782649
Energy: 1.0426741312967773
Energy: 1.1545914133426967
Energy: 1.0859630823277564
Energy: 1.9455219400152595
Energy: 1.0859630823517263
Energy: 1.1751653390731347
Energy: 1.0592718105748855
Energy: 1.62221916697791
Energy: 1.0592719417575638
Energy: 1.8722405490491234
Energy: 1.2729962245672377
Energy: 2.043856221764776
Energy: 1.2729962245672377
Energy: 1.6057886375038415
Energy: 0.9702998163515156
Energy: 2.0728775649452786
Energy: 0.9703000364429241
Energy: 1.8987636992206383
Energy: 0.9611967908611554
Energy: 1.3779942755128922
Energy: 1.0127750167989182
Energy: 2.019916447355812
Energy: 1.0037762151683052
Energy: 1.232120245363437
Energy: 1.0037761630932165
Energy: 2.1869368235857247
Energy: 1.0816209457578443
Energy: 1.2003610741936086
Energy: 1.0816209454099899
Energy: 2.0356419334874882
Energy: 1.0785367811158593
Energy: 1.1746693432822268
Energy: 1.0785367813064384

minimum gb energy = 0.6360457641028556 eV
minimum distance =  2.61764918734828 Angstroms
sigma value = 9


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

Energy: 0.56941297027767
Energy: -0.7147012119723684
Energy: -0.8453668791203651
Energy: -0.2749570167731149
Energy: 0.36809106133747754
Energy: 1.0944813871793213
Energy: -0.6876337398764387
Energy: 1.1127936525995246
Energy: 0.43507218646882445
Energy: -0.8393037183685438
Energy: -0.7453860918445352
Energy: -0.8495121629269222
Energy: 0.29909945702261226
Energy: -0.7611844629434644
Energy: -0.9713490676364344
Energy: -0.6765186695402868
Energy: 0.23645897475913177
Energy: -0.7333575511246003
Energy: -0.8585996966432445
Energy: -0.6553028220918435
Energy: 0.3421562369335362
Energy: -0.6937461903079447
Energy: 1.3152877645255807
Energy: -0.7332384741745952
Energy: 0.4177820054079823
Energy: -0.6721014137430072
Energy: -1.3685222523802996
Energy: -0.6305224425991538
Energy: 0.14019692645003015
Energy: -0.658426339479268
Energy: 1.1955647531824285
Energy: -0.6152008703272729
Energy: 1.2806920322579634
Energy: -0.7284290203516819
Energy: 1.2720907661550374
Energy: -0.8564382664912952
Energy: -0.18646630178108653
Energy: -0.8513216482414147
Energy: 0.40497331565808425
Energy: -0.8921026319656419
Energy: -0.09035276906144514
Energy: 0.9223937525477839
Energy: 1.8073140914785961
Energy: 1.031969236854503
Energy: -0.6552171198513858
Energy: -0.7313016308191986
Energy: 1.8609970179003983
Energy: -0.8198337993218523
Energy: -0.7327405703084696
Energy: -0.7819566661729583
Energy: 0.311079824085992
Energy: -0.8554859709794411
Energy: 1.0833519624728782
Energy: 0.31929726247416246
Energy: 0.4394901004257444
Energy: 1.0458707371130136
Energy: -0.6943777520985058
Energy: 1.0371679629869015
Energy: 0.17308055381077378
Energy: 0.10791424900203558
Energy: -0.06895951472215892
Energy: -0.8307192519279938
Energy: 0.29610596351795715
Energy: -0.5116628160823822
Energy: -1.5333322076955231
Energy: -0.7357293800595727
Energy: 0.400129362609314
Energy: -0.7744321768165243
Energy: -1.4407259601836888
Energy: -0.6473387612346994
Energy: -0.20915291118499924
Energy: -0.7924108450536159
Energy: -0.0909176537045966
Energy: -0.5457786471459642
Energy: 1.4357458509401269
Energy: -0.8063561551952636
Energy: 0.3585972686699933
Energy: -0.8396435490905761
Energy: 0.025986826451319812
Energy: -0.7782419994060428
Energy: 1.8860892272230922
Energy: -0.6536492720906546
Energy: -0.18335578354952178
Energy: -0.7519027651653446

minimum gb energy = -1.5333322076955231 eV
minimum distance =  2.63170710203011 Angstroms
sigma value = 25


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

Energy: 1.4165718663646258
Energy: 1.5701407284509286
Energy: 1.5594117678994301
Energy: -1.9472150801412729
Energy: 1.4252824437432818
Energy: 0.4569021035232103
Energy: 1.3129552429558242
Energy: 1.420760684231919
Energy: -0.6520209791105727
Energy: 1.482076832683994
Energy: 1.451544027873509
Energy: 1.4820768327803366
Energy: 1.168050122361539
Energy: 1.5649791244936013
Energy: 1.4119476111286438
Energy: 1.564979124511305
Energy: 1.2482201367138945
Energy: 1.6214252552377113
Energy: 1.3282756445931745
Energy: 1.621425215801451
Energy: 1.4438655977364896
Energy: 1.4052212703714855
Energy: 1.4870322797393098
Energy: 1.3947677514465087
Energy: 1.2376294209075624
Energy: 1.6257750406235385
Energy: 1.4620146473836864
Energy: 1.6257750408162233
Energy: 1.4350461848730371
Energy: 1.3311952211136324
Energy: 1.3989360739114234
Energy: 1.2614892055114488
Energy: 1.4130655136573944
Energy: 1.2733912321610859
Energy: 1.2712863262937402
Energy: 1.3310017977574646
Energy: 1.4051592095998606
Energy: 1.3962663153653003
Energy: 1.3912073798943903
Energy: 1.3962423772533068
Energy: 1.5836244947679292
Energy: 1.5126926842596704
Energy: 1.40887342746088
Energy: 1.5126947202364278
Energy: -0.768740048876981
Energy: 1.3926303668065927
Energy: 1.2193240650315564
Energy: 1.3926303879708415
Energy: 1.603595575548442
Energy: 1.4007126066093087
Energy: 1.4321769617118039
Energy: 1.4007162237785378
Energy: 1.605072014971407
Energy: 1.6373522395014597
Energy: 1.3472288272371642
Energy: 1.6373522394975257
Energy: 1.3663923290072848
Energy: 1.6257522982384416
Energy: 1.5944156777193834
Energy: 1.6257522935686761
Energy: 1.3962637246735758
Energy: 1.4694177849259416
Energy: 1.1771783836278893
Energy: 1.469417784935777
Energy: 1.1442985840970459
Energy: 1.4153664777670873
Energy: 1.5662670620541737
Energy: 1.4153664789291418

minimum gb energy = -1.9472150801412729 eV
minimum distance =  2.62511114419276 Angstroms
sigma value = 17


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

Energy: 1.8501839932769004
Energy: 1.7760346867011472
Energy: 1.6010706175573828
Energy: 1.7673987130426811
Energy: 1.7425908525246692
Energy: 1.264058423664302
Energy: 1.3937795400699309
Energy: 1.264056218887267
Energy: 1.6039047527395343
Energy: 1.7401574856582023
Energy: 1.766087262514271
Energy: 1.740157485686054
Energy: 1.7375140826807582
Energy: 1.7326509110038468
Energy: 1.725001996190445
Energy: 1.732650912948138
Energy: 1.7792089091214525
Energy: 1.7755695856944678
Energy: 1.490390184598901
Energy: 1.7755695387475554
Energy: 1.4734616802788671
Energy: 1.5393548943180575
Energy: 1.5338540977195902
Energy: 1.586763699893034
Energy: 1.7259343442379877
Energy: 1.7110855195731318
Energy: 1.448042800739839
Energy: 1.7110855196488375
Energy: 1.5700825171210318
Energy: 1.5794755920743804
Energy: 1.5920645745775384
Energy: 1.5794755920498709
Energy: 1.6213246258132732
Energy: 1.6778996507280242
Energy: 1.6256920224764877
Energy: 1.6779169380512395
Energy: 1.6746108945646854
Energy: 1.67701367111432
Energy: 1.5929928136835343
Energy: 1.6770139360964673
Energy: 1.5865212596148044
Energy: 1.7654881422543887
Energy: 1.5951740182881637
Energy: 1.7654881421920516
Energy: 1.4994427103853434
Energy: 1.6546676542822518
Energy: 1.6851337570506908
Energy: 1.6546676543279282
Energy: 1.544601238783851
Energy: 1.6509731800534233
Energy: 1.565970815063501
Energy: 1.650973180047853
Energy: 1.5487081630630966
Energy: 1.7328870447900082
Energy: 1.526956848218246
Energy: 1.7328870447900082
Energy: 1.728322944366477
Energy: 1.7432923137312983
Energy: 1.680524055510123
Energy: 1.7432923137502372
Energy: 1.598642642780775
Energy: 1.789752278978984
Energy: 1.5457936121432807
Energy: 1.7897522789778697
Energy: 1.3981802453752032
Energy: 1.5707124585658574
Energy: 1.3744734941984105
Energy: 1.5707124584790113
Energy: 1.4592689105912702
Energy: 1.537407814086837
Energy: 1.6809699668792788
Energy: 1.537407819073377
Energy: 1.5024605327312905
Energy: 1.7922909995300407
Energy: 1.5486471167194373
Energy: 1.791585006259172
Energy: 1.3970323612300035
Energy: 1.7261838284290394
Energy: 1.8102876483019223
Energy: 1.726183827480264
Energy: 1.7276011720499815
Energy: 1.7323897806075144
Energy: 1.7918657666553697
Energy: 1.7323897806175408
Energy: 1.5252073835828042
Energy: 1.7175985362816533
Energy: 1.6509435669584587
Energy: 1.717598533112452
Energy: 1.4094076765657402
Energy: 1.4348527326533904
Energy: 1.5050982787247393
Energy: 1.4348527326500482
Energy: 1.8298389940722746
Energy: 1.7461060914079791
Energy: 1.4206590951908626
Energy: 1.7461060914803423
Energy: 1.3452568443388946
Energy: 1.4246026370775733
Energy: 1.617934753326246
Energy: 1.4246026372401754
Energy: 1.8128038799551331
Energy: 1.768056841053563
Energy: 1.647707235992408
Energy: 1.7680568409087856
Energy: 1.810219434239009
Energy: 1.9071043439803963
Energy: 1.7768822037115881
Energy: 1.9071043439937654
Energy: 1.6088553907489727
Energy: 1.7611619198895279
Energy: 1.7684538527919833
Energy: 1.7611619198683608
Energy: 1.7195992135924785
Energy: 1.1906410335926996
Energy: 1.5034079731990428
Energy: 1.13851369781307
Energy: 1.3497534590670472
Energy: 1.767702670155544
Energy: 1.820629540585696
Energy: 1.7677026700998917

minimum gb energy = 1.13851369781307 eV
minimum distance =  2.6327828703032 Angstroms
sigma value = 53


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

Energy: 2.1125343321361174
Energy: -1.7103527725715737
Energy: -1.546540432987379
Energy: 2.132619281674045
Energy: -1.694854515360684
Energy: -1.6607986199898077
Energy: -1.7435234660452923
Energy: -1.7032408147728708
Energy: -1.484215924588802
Energy: -1.6481420525401567
Energy: -1.6767164859247135
Energy: -1.7661525219955205
Energy: -1.5783440250588445
Energy: -1.737114716374414
Energy: -1.6398212401249823
Energy: -1.6625956372888644
Energy: -1.6847469384934308
Energy: -1.7127373498606586
Energy: -1.612581290874498
Energy: -1.683128745419672
Energy: -1.608997955137433
Energy: -1.4693175858705056
Energy: -1.601331407989457
Energy: 1.4221788707537708
Energy: -1.6064569490333447
Energy: -1.7448641623603043
Energy: -2.629290728890885
Energy: -1.7501183396808753
Energy: -1.6694582461752363
Energy: -1.6568961400223552
Energy: -2.5694435521609615
Energy: -1.6741628346895836
Energy: -1.7498654080939582
Energy: -1.7263429743065821
Energy: -1.587268202820351
Energy: -1.647836384124088
Energy: -1.7907273718682866
Energy: -1.6977248353192653
Energy: -1.595344717949086
Energy: -1.7823388025594735
Energy: -1.7084842454745324
Energy: -1.636170578444624
Energy: -1.6502722247841484
Energy: -1.5888033356504434
Energy: -1.5876212631559365
Energy: -1.7257961928018217
Energy: -1.6358477880668498
Energy: -1.5933127584705256
Energy: -2.532306110741356
Energy: -1.6663847138454992
Energy: -1.6022653171297927
Energy: -1.7196515484083201

minimum gb energy = -2.629290728890885 eV
minimum distance =  2.64626469692564 Angstroms
sigma value = 9


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

Energy: 1.6125187615250172
Energy: 1.6566096190732247
Energy: 1.6731794052980016
Energy: 1.5371373675778335
Energy: 1.6162266640907081
Energy: 1.5775208398388414
Energy: 1.3405496442732288
Energy: 1.5775208398787106
Energy: 1.377900283457627
Energy: 1.815853188696774
Energy: 1.5348546712995041
Energy: 1.8158531886977232
Energy: 1.568591463342533
Energy: 1.9544414003716875
Energy: 1.6857695878054975
Energy: 1.9544414003897235
Energy: 1.849050947973833
Energy: 1.925039822598686
Energy: 1.4339755082292676
Energy: 1.925039822595838
Energy: 1.4644376922574105
Energy: 1.5519291776382165
Energy: 1.5649307019182737
Energy: 1.5519291780386324
Energy: 1.2878411657660973
Energy: 1.3542997029054977
Energy: 1.588608951320885
Energy: 1.3556197832807708
Energy: 1.4842972664700893
Energy: 1.419528595907546
Energy: 1.5974494539900332
Energy: 1.419528615003877
Energy: 1.5151512594774017
Energy: 1.7848582928055354
Energy: 1.4228557900658205
Energy: 1.7848582928064844
Energy: 1.728158841040868
Energy: 1.7115921811107369
Energy: 1.5228228599407332
Energy: 1.7115921811202293
Energy: 1.2711305599209348
Energy: 1.8689038823463286
Energy: 1.8826074861921513
Energy: 1.8689038823700168
Energy: 1.569981560589263
Energy: 1.6675523336948328
Energy: 1.4663557559473126
Energy: 1.6675523333380402
Energy: 1.5415964620640994
Energy: 1.5621852685525843
Energy: 1.5008486749440388
Energy: 1.5621852686208881
Energy: 1.5698595081501439
Energy: 1.5317383946573486
Energy: 1.699709768942672
Energy: 1.531738394628871
Energy: 1.47184614377745
Energy: 1.7930080641253574
Energy: 1.6566071254075374
Energy: 1.79300806413485
Energy: 1.7122792546970678
Energy: 1.6327391941678688
Energy: 1.795517818355782
Energy: 1.632739194172615
Energy: 1.5899955560629695
Energy: 1.7546910508795757
Energy: 1.5709434450891517
Energy: 1.7546910508824232
Energy: 1.5400060392648913
Energy: 1.5167689206744313
Energy: 1.4262854334289463
Energy: 1.5167689207882993
Energy: 1.676155305416563
Energy: 1.6798466433718005
Energy: 1.49137709528841
Energy: 1.679846643369902
Energy: 1.5119390222159887
Energy: 1.5692700156978934
Energy: 1.6664984898576718
Energy: 1.5692700156656616
Energy: 1.581584599065068
Energy: 1.661986582168276
Energy: 1.5538236378328392
Energy: 1.6619865821625803
Energy: 1.5646343748700997
Energy: 1.6617049610978312
Energy: 1.5179384123839679
Energy: 1.661704961096882
Energy: 1.5299983804035526
Energy: 1.6560522197015313
Energy: 1.5674909968265058
Energy: 1.6560522197148209
Energy: 1.4453479701249228
Energy: 1.6852305895735211
Energy: 1.6697509573031348
Energy: 1.6852305884709975
Energy: 1.528478850534382
Energy: 1.7095212074746418
Energy: 1.7542473751673486
Energy: 1.7095212298605942
Energy: 1.6703312985631389
Energy: 1.6037349910185064
Energy: 1.5557044621308738
Energy: 1.6037349909444643
Energy: 1.5542561179779828
Energy: 1.632912429112786
Energy: 1.5217741141047363
Energy: 1.6329124291146848
Energy: 1.5523698872764615
Energy: 1.470397797414722
Energy: 1.5385471342052945
Energy: 1.470407799096594
Energy: 1.5079264474121614
Energy: 1.5693871143452807
Energy: 1.403773466528913
Energy: 1.5693871143709108
Energy: 1.536780316524534
Energy: 1.5401651032832864
Energy: 1.522577543550581
Energy: 1.540165103227323
Energy: 1.6291386209436427
Energy: 1.7580309141863333
Energy: 1.5051243176194193
Energy: 1.758030914184435
Energy: 1.5126857393531665
Energy: 1.6526906797577783
Energy: 1.5352669913467036
Energy: 1.6526906797682201
Energy: 1.5822921010745052
Energy: 1.6082972134208549
Energy: 1.7655521169360182
Energy: 1.6082972134056666
Energy: 1.572276226426534
Energy: 1.4585210528041115
Energy: 1.5180033703834117
Energy: 1.2954609858635644
Energy: 1.6801215060043444
Energy: 1.4650552188434198
Energy: 1.6322627859539038
Energy: 1.465055218866202

minimum gb energy = 1.2711305599209348 eV
minimum distance =  2.62521777960799 Angstroms
sigma value = 73


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

Energy: 1.4658935706598986
Energy: 1.2919877626628096
Energy: 1.1979791429298856
Energy: 0.7362941175993276
Energy: 1.506232727456469
Energy: 0.4391481863744448
Energy: 0.3713910986533179
Energy: 0.28076835818590945
Energy: 0.6008282891127529
Energy: 1.9856429218742977
Energy: 0.18563548264142982
Energy: 1.9856160710446036
Energy: 1.0025832966814883
Energy: 2.02888305528359
Energy: 1.6402935314575684
Energy: 2.0288830500101525
Energy: 1.31635034433471
Energy: 2.0397111630042777
Energy: 0.5636034369300411
Energy: 2.0397111630569564
Energy: 0.1236875531381208
Energy: 0.5653544725439891
Energy: 1.340605524683938
Energy: 1.672157028333835
Energy: 0.4558129204021403
Energy: 0.09280349867767404
Energy: 0.4834961643641186
Energy: 0.0050440189239738835
Energy: 0.09971588345815467
Energy: 0.21632781501704326
Energy: 0.4984773655690724
Energy: 0.09731859937500331
Energy: 0.12986681555561227
Energy: 1.3523667040450849
Energy: 1.5899151266128164
Energy: -0.03878731362490234
Energy: 1.3661635533446543
Energy: -0.09827096354599746
Energy: 1.1481742921038198
Energy: 1.2108944302341116
Energy: 0.282866730141567
Energy: 1.6876559780233362
Energy: 1.5916284097786704
Energy: 1.687656283265139
Energy: 1.0429857180933804
Energy: 1.201915198378287
Energy: 1.2987765845061847
Energy: 1.2674652469594634
Energy: 0.3345097731722065
Energy: 0.05300437405381013
Energy: 0.1386073870832797
Energy: 0.08566663165892006
Energy: 0.4632195332614826
Energy: 0.09300550350309379
Energy: 0.6610414033034689
Energy: 0.05487327913759514
Energy: 0.6758481138151934
Energy: 1.4823627059243079
Energy: 1.0076316827996237
Energy: 1.5523777873785272
Energy: 1.5119110094016948
Energy: 1.0436148688635822
Energy: 1.4368650546464128
Energy: 0.021582216873015887
Energy: 0.13448051793207894
Energy: -0.052626618372960246
Energy: 0.5625860970956867
Energy: 1.2114418410508814
Energy: 1.3762605957699723
Energy: 1.2903896722694153
Energy: -0.24823180127925923
Energy: 1.2603159626255662
Energy: 0.019278155882656453
Energy: 1.4362503794075645
Energy: 0.015160912879202742
Energy: -0.20685088997673004
Energy: 1.0985089152383893
Energy: 0.2865578089093576
Energy: 0.9943588296354164
Energy: 0.2630265223470925
Energy: 0.4655847753884388
Energy: 1.5662432395346075
Energy: 0.17753305712568954
Energy: 1.5452610958490198
Energy: 0.5576092742090459
Energy: 1.4879629763543785
Energy: 0.39156384640890246
Energy: 1.1611071283963776

minimum gb energy = -0.24823180127925923 eV
minimum distance =  2.59503927754273 Angstroms
sigma value = 7


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

Energy: 3.355304139880557
Energy: 1.4291794052959503
Energy: 1.5742312752958876
Energy: 1.4573506694693643
Energy: 1.5433609709403373
Energy: 1.644451442112752
Energy: 1.4352670674715056
Energy: 1.644451444139564
Energy: 1.3475020441973629
Energy: 1.733568843572333
Energy: 1.6919538825586475
Energy: 1.7335688435638135
Energy: 1.7578344279754405
Energy: 1.7309064880733127
Energy: 1.8131981108189725
Energy: 1.7309064880743779
Energy: 1.620527151106346
Energy: 1.694821514285466
Energy: 1.4423521799770513
Energy: 1.6948215143227394
Energy: 1.3091056917642787
Energy: 1.6597351211913027
Energy: 1.708854516872029
Energy: 1.659735121182783
Energy: 1.1483857455250157
Energy: 1.1185030937909344
Energy: 1.3708464319731632
Energy: 1.3372102613271155
Energy: 1.3839878958157723
Energy: 0.9323044364881019
Energy: 1.4468426556689167
Energy: 1.0811110211289863
Energy: 1.562264531748604
Energy: 1.5633758626714962
Energy: 1.6146657578125092
Energy: 1.5633758626480672
Energy: 1.6046587479479326
Energy: 1.4117915243242423
Energy: 1.492463027313633
Energy: 1.4118318630528095
Energy: 1.6762832537819963
Energy: 1.5516482315359703
Energy: 1.5655381498775283
Energy: 1.5516482299679624
Energy: 1.580804453121993
Energy: 1.627166563776748
Energy: 1.423121892988447
Energy: 1.6271564545206614
Energy: 1.7261240810124934
Energy: 1.6575454316738816
Energy: 1.6833461060575718
Energy: 1.6575454278321364
Energy: 1.9698316221478953
Energy: 1.5439267150517757
Energy: 1.4630101235287074
Energy: 1.5439269680472758
Energy: 1.579939028660973
Energy: 1.4998813739379513
Energy: 1.3458801634668525
Energy: 1.4998814414274475
Energy: 1.6520801425086655
Energy: 1.3629737280968603
Energy: 1.5144596733814295
Energy: 1.362973731210512
Energy: 1.5100859597116756
Energy: 1.5013395527755302
Energy: 1.5017149314598925
Energy: 1.5013395533641627
Energy: 1.6704490636181073
Energy: 1.8180771163401004
Energy: 1.3944013946154818
Energy: 1.8180771163454252
Energy: 1.7227251696555554
Energy: 1.7494872039630045
Energy: 1.5918692465599744
Energy: 1.7494872039576796
Energy: 1.6270600923104754
Energy: 1.8277696179357317
Energy: 1.4735098222040064
Energy: 1.8277696179357317
Energy: 1.6580665010270015
Energy: 1.5334506028761525
Energy: 1.2005087597443518
Energy: 1.5334506028814774
Energy: 1.6046163308247436
Energy: 1.4633317641081502
Energy: 1.2567745028513873
Energy: 1.4633317641060204
Energy: 1.4759708217051735
Energy: 1.1766198071619174
Energy: 1.2353101595633134
Energy: 1.2211967457286035
Energy: 1.6062297997144368
Energy: 1.558517193457634
Energy: 1.5039058266279437
Energy: 1.5585171934555042
Energy: 1.5851283377741956
Energy: 1.558553467451684
Energy: 1.6234549460897962
Energy: 1.558553467460204
Energy: 1.5207105575132027
Energy: 1.5205150857820766
Energy: 1.9568427253025553
Energy: 1.5205150857948564
Energy: 1.5835099552061964
Energy: 1.5537946884225162
Energy: 1.6542610151390382
Energy: 1.5537946883682519
Energy: 1.5102160076821065
Energy: 1.5718058220965463
Energy: 1.5499934387047298
Energy: 1.571805822079507
Energy: 1.549292119302541
Energy: 1.515407057328202
Energy: 1.5728620991416855
Energy: 1.515407058004161
Energy: 1.5193889240194596
Energy: 1.5553076479298975
Energy: 1.6223817429483192
Energy: 1.5553076477329286
Energy: 1.5115254588406937
Energy: 1.2308433013216606
Energy: 1.507957375580874
Energy: 1.2242645808540962

minimum gb energy = 0.9323044364881019 eV
minimum distance =  2.5899487461903 Angstroms
sigma value = 29


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

Energy: 1.7936541912821868
Energy: -0.6459810376643157
Energy: -0.5995340928936135
Energy: -0.35462328134608995
Energy: 0.2208226701780976
Energy: -0.23319742268661808
Energy: -0.5921707573019976
Energy: -0.24700540596701157
Energy: 0.22617471407411463
Energy: 0.6458611482532122
Energy: 0.17032818833618887
Energy: 0.7860491352874034
Energy: 0.2969522372586369
Energy: 0.8849175404678616
Energy: -0.38250149083983376
Energy: 0.11974897166620053
Energy: 0.17108451364177255
Energy: 0.9833989940034439
Energy: 0.1430884471520168
Energy: 0.03710781691154649
Energy: -0.6414087309927774
Energy: -0.12722467972998258
Energy: -0.5775982633509337
Energy: -0.17681791046280057
Energy: -0.6629752062422207
Energy: -0.6204266401636704
Energy: -0.5152917253132985
Energy: -0.652871835328666
Energy: -0.6302138359677765
Energy: -0.11589221693673445
Energy: -0.6351135301052803
Energy: -0.1718798006845017
Energy: 1.7717795547284803
Energy: -0.21325027610381136
Energy: -0.5897376880445501
Energy: -0.23583506483181618

minimum gb energy = -0.6629752062422207 eV
minimum distance =  2.67708345144243 Angstroms
sigma value = 5


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

Energy: 1.748999956506539
Energy: 1.4677706489796387
Energy: 1.437465345118659
Energy: 1.4567832616789917
Energy: 0.8027442381045823
Energy: 0.8592144173396852
Energy: 1.4588368160033751
Energy: 0.8592144173688586
Energy: 0.8623651499409845
Energy: 0.8734990199842603
Energy: 1.3652030683449279
Energy: 0.8734990195579064
Energy: 0.720991855506515
Energy: 0.730334199772171
Energy: 1.6452592917730586
Energy: 0.7303319849383446
Energy: 0.8465388596363264
Energy: 0.8885265624190338
Energy: 1.5530785745277051
Energy: 0.88852656240998
Energy: 1.1191041366389671
Energy: 1.1443263033618156
Energy: 1.5932943856488877
Energy: 1.1443262820816247
Energy: 0.9469632159237681
Energy: 1.1032264391116648
Energy: 1.6521325039593804
Energy: 1.1032259601979941
Energy: 1.1736395925540832
Energy: 1.1798345779787367
Energy: 1.6678885261422987
Energy: 1.1798345779877906
Energy: 1.133533138560096
Energy: 1.0597028677569849
Energy: 1.0058084439992778
Energy: 1.0597016941858306
Energy: 1.5336968370302935
Energy: 1.334683822964952
Energy: 1.2255383935424238
Energy: 1.3346838229508684
Energy: 1.2069499116902518
Energy: 1.1342400975592384
Energy: 1.2759115586078584
Energy: 1.1342400977794573
Energy: 1.0107305643548385
Energy: 1.12313460556698
Energy: 1.7731218816759562
Energy: 1.1231346055458546
Energy: 1.1976919624493763
Energy: 1.3029515150993247
Energy: 1.774669182944927
Energy: 1.302951515062149
Energy: 1.0910167650816127
Energy: 1.1122484187263009
Energy: 1.1844379558220421
Energy: 1.1122484171395464
Energy: 1.6896499096419575
Energy: 1.0403469929360236
Energy: 1.1455942429716655
Energy: 1.0403468478995292
Energy: 1.6457572281649184
Energy: 1.101307887237908
Energy: 1.1576792440609676
Energy: 1.1013083321584196
Energy: 1.35770762832639
Energy: 1.1621012199375103
Energy: 1.1877425592647992
Energy: 1.1621012199857972
Energy: 1.2213623790087123
Energy: 0.8655855480201594
Energy: 0.8062172285428248
Energy: 0.8655855480121115
Energy: 1.7902340126727967
Energy: 0.9634772916409488
Energy: 0.8506515439791807
Energy: 0.9634772915122288
Energy: 1.1207268564022193
Energy: 0.8680680185662063
Energy: 0.6436523481694149
Energy: 0.8680680186024214
Energy: 1.478347068503165
Energy: 1.1873420847581297
Energy: 1.2718339553960978
Energy: 1.1873420847571237
Energy: 1.6745224708966993
Energy: 1.504005634312264
Energy: 1.145781053439117
Energy: 1.5040056339814332
Energy: 1.3183309082483778
Energy: 0.8124262886922115
Energy: 0.8645464544574696
Energy: 0.8124262887223909
Energy: 1.5313956008124174
Energy: 0.8437817379329475
Energy: 0.8009600317280602
Energy: 0.8437802335082805
Energy: 1.3620164344688235
Energy: 0.8609196902732924
Energy: 0.7844316510033239
Energy: 0.8609196900269637
Energy: 1.3191868814516594
Energy: 1.152273660539735
Energy: 0.8149245337009696
Energy: 1.1522726887022565
Energy: 1.4675069066068873
Energy: 1.3408217052831441
Energy: 1.4621782807770334
Energy: 1.3408217052881741
Energy: 1.2623196910212033
Energy: 1.1482765528960677
Energy: 1.3836012006955043
Energy: 0.850288886145062
Energy: 0.8507044356625377
Energy: 1.057681251491815
Energy: 1.3353981127589516
Energy: 1.057681252176569
Energy: 0.7507696633962779
Energy: 0.9043068640862096
Energy: 1.708199032107155
Energy: 0.9043068642329916
Energy: 0.9280922299495804
Energy: 0.982660406585394
Energy: 1.624579312433617
Energy: 0.9826604065773463
Energy: 0.8038822295126035
Energy: 0.8038502224711034
Energy: 1.1894874290618478
Energy: 0.8038502227928807
Energy: 1.2239848631594876
Energy: 1.3627077792078057
Energy: 1.5579063318554642
Energy: 1.4351555703411474

minimum gb energy = 0.6436523481694149 eV
minimum distance =  2.5844740260741 Angstroms
sigma value = 1


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

Energy: -1.1068289304733412
Energy: -0.10009535956171725
Energy: -0.019606065427145877
Energy: -1.785239178716293
Energy: 0.6628722455135491
Energy: 0.06358476976476676
Energy: -0.5894212163827023
Energy: -0.5747334266223328
Energy: -0.49425375707691405
Energy: -0.835809776290028
Energy: 1.2109975362046879
Energy: -0.916313902055047
Energy: 0.5223009795318185
Energy: 0.7079463707027996
Energy: -1.7769662309358245
Energy: -0.6936476650676119
Energy: 0.7822720015150115
Energy: -0.7797563592376954
Energy: 1.226014117503615
Energy: -0.8815774965435377
Energy: -0.597410168988759
Energy: -0.7266768975389097
Energy: -0.09620794766936511
Energy: 0.7705169253368743
Energy: -0.43880944971725355
Energy: -0.8834132797461132
Energy: 1.1888176129697534
Energy: -0.6683908845670059
Energy: -0.35120146852070994
Energy: -0.9034102007338869
Energy: 1.0983845724220538
Energy: -0.8424082112320825
Energy: -0.6924442115463002
Energy: -0.27961304217193145
Energy: 0.8952205686128454
Energy: 0.13710548049976523
Energy: -0.17596473565240814
Energy: -0.41609667538055495
Energy: 0.040707702475755995
Energy: 0.07958838043534931
Energy: -0.6251517860570498
Energy: -0.3344966978977258
Energy: -0.5219524960239499
Energy: -0.6710811211570896
Energy: -0.6905768153408879
Energy: -0.665617161475341
Energy: -1.7164791500680323
Energy: -0.7675522236818928
Energy: 0.8256036546219494
Energy: -0.8273600577181465
Energy: -1.7501377318008402
Energy: -0.8745566814889847
Energy: -0.7815500703307569
Energy: -0.614540471531555
Energy: -0.8236376441125695
Energy: -0.4617158175075524
Energy: -1.806570518640301
Energy: -0.23410937889544967
Energy: 0.8888378277202104
Energy: 0.5658170982618055
Energy: -1.6888229014638458
Energy: 0.4535784242891936
Energy: 0.4748139809714487
Energy: -0.1677717488829963
Energy: 1.2098642048261947
Energy: -0.7870917660564469
Energy: -0.8472599262950882
Energy: -0.7620794792269461
Energy: 0.9673838382906819
Energy: -0.7877255612464453
Energy: -0.37718479168603397
Energy: -0.7033451132754334
Energy: 0.9533493760317775
Energy: -0.9413542737843315
Energy: 0.8835668137752047
Energy: -0.8207311809317687
Energy: -0.4281794634176476
Energy: -0.7786947318138595
Energy: -0.8685763821569328
Energy: -0.8252657391481303
Energy: 0.09317284069892012
Energy: -1.2046680780681114
Energy: -0.20908307718180436
Energy: 0.339205864235042
Energy: 0.28549506361247984
Energy: 0.36938198607610506
Energy: -0.11426135147877983
Energy: 0.3718550720728184
Energy: -0.6784727960057101
Energy: -0.17054744333196528
Energy: -0.610861294557968
Energy: -0.6491291353012214
Energy: -1.771168345332418
Energy: -0.8369809560087693
Energy: -0.7577295436091179
Energy: -0.956867165453494

minimum gb energy = -1.806570518640301 eV
minimum distance =  2.60603508183709 Angstroms
sigma value = 17


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

Energy: 1.273993064600033
Energy: 1.483719623021586
Energy: 1.4809984888677064
Energy: 1.4438361982079855
Energy: 0.7525486173947241
Energy: 0.759665689981046
Energy: 1.15015651262581
Energy: 0.7596656899586934
Energy: 0.7466245586401439
Energy: 0.7703845102408313
Energy: 1.4371766248896247
Energy: 0.7703845102373926
Energy: 0.747182314350263
Energy: 0.7499066033188352
Energy: 1.4266616959114526
Energy: 0.749906603446854
Energy: 0.7874578456339598
Energy: 0.6692058379578212
Energy: 1.40197829389098
Energy: 0.6692057484930791
Energy: 1.399631590521564
Energy: 1.1779604524340008
Energy: 1.325948075678295
Energy: 1.1779604532409564
Energy: 1.3488626182318764
Energy: 1.2039163775383597
Energy: 1.2949881980580813
Energy: 1.2039163775013924
Energy: 1.316017048675936
Energy: 1.1731382963456116
Energy: 1.3969287571258937
Energy: 1.1731382966781634
Energy: 1.3682067738819952
Energy: 0.7523445253670693
Energy: 0.7312578740148131
Energy: 0.7523445254152129
Energy: 1.4305246838067265
Energy: 0.7186097681688282
Energy: 0.7590288244910931
Energy: 0.7186097681533533
Energy: 1.1034421921567237
Energy: 0.653570183716068
Energy: 0.760379743179196
Energy: 0.6535701499814244
Energy: 1.1514430754966465
Energy: 1.0153218534758084
Energy: 1.1440845964473731
Energy: 1.0153218525674854
Energy: 1.3608014124077232
Energy: 1.2613009981096368
Energy: 1.1489334578953285
Energy: 1.2613000394881198
Energy: 1.1847864767216076
Energy: 0.6965301362965275
Energy: 0.7529114534388137
Energy: 0.6965301363025455
Energy: 1.4154985407540177
Energy: 0.7916824031467375
Energy: 0.8247256110250598
Energy: 0.7916824031501764
Energy: 1.3402319654458497
Energy: 0.7917130445322932
Energy: 0.7709125792417012
Energy: 0.7917130445056422
Energy: 1.1899729423476169
Energy: 1.1777253751811187
Energy: 0.7794610757726507
Energy: 1.1777253750762342
Energy: 1.2355721047472685
Energy: 1.2197059753038944
Energy: 1.4269391415406032
Energy: 1.2197059753004555
Energy: 1.1890038284773148
Energy: 1.1763293143985263
Energy: 1.439654705499701
Energy: 1.1763293143985263
Energy: 0.9171740214066917
Energy: 1.280656295964855
Energy: 1.2537020999033213
Energy: 1.2806562958874812
Energy: 0.9452192805737001
Energy: 0.969881750124229
Energy: 1.399300210962937
Energy: 0.9698817502325525
Energy: 0.9757096484774811
Energy: 0.9283300991641567
Energy: 1.4012057777502709
Energy: 0.9283301126968575
Energy: 0.9883305958648114
Energy: 1.0277143237234996
Energy: 0.9623156674221741
Energy: 1.0277143237338162
Energy: 1.2226353484389316
Energy: 1.1715341604791545
Energy: 1.1643367114238887
Energy: 1.1715341603210458
Energy: 1.1480089355717902
Energy: 0.7242533231175746
Energy: 1.0712951487963034
Energy: 0.7242533437174071
Energy: 1.0158990139597919
Energy: 0.9820999411411363
Energy: 1.02773848782732
Energy: 0.9820999411514528
Energy: 1.261179586423135
Energy: 1.2222427467071284
Energy: 1.3028945364324842
Energy: 1.2222427469073627
Energy: 0.9867431460041035
Energy: 0.8646486382292551
Energy: 1.0828699264034214
Energy: 0.8646486382301148
Energy: 1.3401794452091544
Energy: 0.9330595628508118
Energy: 0.9789003446653894
Energy: 0.9330595883316889
Energy: 1.4300157705217091
Energy: 0.9116059091584187
Energy: 0.9970670655066887
Energy: 0.9116059086393881
Energy: 1.5083752115185018
Energy: 0.977993600840557
Energy: 0.9622439660411137
Energy: 0.9779936045262134
Energy: 1.3743091828123055
Energy: 1.2050492457434268
Energy: 1.2362693901564392
Energy: 1.2050492458156425
Energy: 1.3631111910774643
Energy: 1.2281665759556983
Energy: 1.2217334788877205
Energy: 1.2281665759608567
Energy: 1.3165371118538172
Energy: 1.1773341622473859
Energy: 1.179456524807615
Energy: 1.177334162229332
Energy: 0.7229720689575594
Energy: 0.7662320579652439
Energy: 1.2348494364587017
Energy: 0.7662320579600856
Energy: 0.8379748026023943
Energy: 0.7711941916416938
Energy: 1.1616636413123385
Energy: 0.7711937786054204
Energy: 0.7259143970332455
Energy: 0.6277240634001251
Energy: 1.1840792243965756
Energy: 0.6277239571269513
Energy: 0.9899938374195502
Energy: 0.9642450987152893
Energy: 1.3292272162651744
Energy: 0.9642450987230267

minimum gb energy = 0.6277239571269513 eV
minimum distance =  2.62871358837616 Angstroms
sigma value = 89


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

Energy: 2.0913264945466237
Energy: -0.41396187337564067
Energy: -0.35509120519456966
Energy: 0.586982871697943
Energy: -0.38979055487365705
Energy: -0.29335299143944127
Energy: -0.3741435036811301
Energy: -0.3086975304697419
Energy: -0.271474721300568
Energy: -0.4873341013872137
Energy: 0.07951174682464295
Energy: -0.549829232956704
Energy: -0.5320458433048136
Energy: -0.512442571107825
Energy: 0.011255557801593935
Energy: -0.3329244351220568
Energy: -0.5172411895466223
Energy: -0.02025211430060242
Energy: -0.341032206582639
Energy: -0.1502139329399031
Energy: 0.6001672752772947
Energy: 0.1002292306598095
Energy: 0.5820431804342726
Energy: 0.0467271282186781
Energy: 0.5862316656614089
Energy: -0.003670090335390651
Energy: -0.6431249629425836
Energy: 0.1955117369239991
Energy: 0.5549215016918816
Energy: 0.126737058997513
Energy: -0.6143067711145003
Energy: 0.14148580193635268
Energy: -0.38444480927959546
Energy: -0.5209891901284958
Energy: -0.5635987733492585
Energy: -0.45511419313833773
Energy: -0.2271735541899357
Energy: -0.3042705702340487
Energy: -0.6508439705402417
Energy: -0.4201812490328794
Energy: -0.6335298603761457
Energy: -0.5516212013443503
Energy: -0.3940122896494877
Energy: -0.575181041766688
Energy: -0.4059262361665419
Energy: -0.3211310212730827
Energy: -0.6617166277027571
Energy: -0.25156141899852047
Energy: -0.2870951099988232
Energy: -0.29455047342667984
Energy: -0.6431513398322689
Energy: -0.31600320454434544
Energy: -0.46309014973939167
Energy: 0.07064569578341882
Energy: -0.30649861055963074
Energy: -0.021301668513997094
Energy: -0.26230722838034537
Energy: -0.4577266828203403
Energy: -0.4437941338780345
Energy: -0.5210705153607211

minimum gb energy = -0.6617166277027571 eV
minimum distance =  2.63984849935656 Angstroms
sigma value = 13


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

Energy: 0.597546294261972
Energy: 0.6468982533580978
Energy: 0.5972980491998849
Energy: 0.5670224053054673
Energy: 0.389077809394871
Energy: 0.649787128424951
Energy: 0.5704340874322281
Energy: 0.6497871284240082
Energy: 0.5774274321625187
Energy: 0.6066449320693947
Energy: 0.4935560087703871
Energy: 0.6066449322993585
Energy: 0.5594117432583924
Energy: 0.6462451672242483
Energy: 0.46255243396842394
Energy: 0.6462451672270768
Energy: 0.5201417116040854
Energy: 1.0167531834686818
Energy: 1.0061304873053187
Energy: 1.0167531834686818
Energy: 0.7212062891273882
Energy: 1.0143390896519748
Energy: 0.9839313361242589
Energy: 1.014339088653994
Energy: 0.6964605851000358
Energy: 1.0206741729438293
Energy: 0.9893124269909576
Energy: 1.0206741729353437
Energy: 1.1553609829885212
Energy: 0.9789758709103683
Energy: 0.9154003033409396
Energy: 0.978975870921682
Energy: 1.0973928576924883
Energy: 0.987409084890186
Energy: 0.968268067244554
Energy: 0.987409085073994
Energy: 0.7051766446656228
Energy: 1.0418821197768342
Energy: 0.9933672032876281
Energy: 1.0418821197730628
Energy: 0.6201410924423988
Energy: 1.0263900079649166
Energy: 1.0107760090870055
Energy: 1.0263900079668025
Energy: 0.6258444550996703
Energy: 0.658691119160798
Energy: 0.5269530686490312
Energy: 0.6586911191589123
Energy: 0.6001060266993429
Energy: 0.614911746960007
Energy: 0.6043724506757787
Energy: 0.6149117469534072
Energy: 0.6144336771113438
Energy: 0.6059280798021146
Energy: 0.5636857711530598
Energy: 0.6059280797936292
Energy: 0.686548230744562
Energy: 0.5894101736836763
Energy: 0.6201002881973893
Energy: 0.5894101736808908
Energy: 0.723662533923434
Energy: 0.6354736708300082
Energy: 0.6218446214646385
Energy: 0.6354736708300082
Energy: 0.5847219700697036
Energy: 0.5881195599559123
Energy: 0.608650298830554
Energy: 0.5881195600011678
Energy: 0.5425208455177793
Energy: 0.58521192221954
Energy: 0.5088596366292347
Energy: 0.5852119222308538
Energy: 0.5458307993296654
Energy: 0.4629003237646748
Energy: 0.6896855977085072
Energy: 0.4629003238702284
Energy: 0.5216980331638953
Energy: 0.5760771882601946
Energy: 0.5707964105271415
Energy: 0.5760771880538016
Energy: 0.5292255866391888
Energy: 0.5980488521675558
Energy: 0.5332324502552964
Energy: 0.598048852155299
Energy: 0.9754592182930556
Energy: 0.5964885099344013
Energy: 0.628413223982605
Energy: 0.59648850993063
Energy: 0.9750964260350369
Energy: 0.9881813642681108
Energy: 0.7319182080220409
Energy: 0.988181364267168
Energy: 1.0127414302903996
Energy: 1.0182006780159076
Energy: 1.1085713300825195
Energy: 1.0182006779668806
Energy: 0.9842830218591494
Energy: 1.0053313437139655
Energy: 1.1196742218929667
Energy: 1.0053313437092515
Energy: 0.9576656754049037
Energy: 1.0338609402105647
Energy: 1.0280192767112473
Energy: 1.0338609402190502
Energy: 0.9323882379188818
Energy: 0.9319075359447841
Energy: 0.5756819646030868
Energy: 0.9319075358722294
Energy: 1.0077730661557418
Energy: 1.0169871192046975
Energy: 0.7202745134673356
Energy: 1.0169871191811697
Energy: 0.9474061389449543
Energy: 0.6243836834193441
Energy: 0.5768144208544905
Energy: 0.6243836834561143
Energy: 0.6298630786851762
Energy: 0.6554235300556833
Energy: 0.5810525160860843
Energy: 0.6554235300566261
Energy: 0.4970109711673234
Energy: 0.6296442326226803
Energy: 0.5488582936797494
Energy: 0.6296442326273944
Energy: 0.5919061154973825
Energy: 0.6345873930100966
Energy: 0.7025765281195524
Energy: 0.6345873930091538
Energy: 0.5716418159142063
Energy: 0.6252235371978104
Energy: 0.7282163480325794
Energy: 0.625223537194982
Energy: 0.5443207427858304
Energy: 0.5618286489486221
Energy: 0.5574784215280558
Energy: 0.5618286489542791
Energy: 0.7852254939576971
Energy: 0.5371722603523585
Energy: 0.5393743875967165
Energy: 0.5371720287351562

minimum gb energy = 0.389077809394871 eV
minimum distance =  2.60502369040899 Angstroms
sigma value = 37


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

Energy: 0.10881186350050343
Energy: 0.7460575587386608
Energy: 0.6599296630087984
Energy: 0.41408667239153196
Energy: 0.47282205274977773
Energy: 0.32389798905582246
Energy: 0.450303576862311
Energy: 0.6976018543176579
Energy: 0.4356981963572626
Energy: 0.5021346562060109
Energy: 0.29460771221014426
Energy: 0.5512792082004708
Energy: 0.19786608947065865
Energy: 0.48698726603997206
Energy: 0.4503235534896132
Energy: 0.5716324988245929
Energy: -0.32149987487320875
Energy: -0.43670985129983136
Energy: -0.0296513652979248
Energy: 0.06099223491369379
Energy: 0.6221076083698056
Energy: -0.27130916841796976
Energy: -0.2142883434388778
Energy: -0.5807935469416003
Energy: 0.6366925101059866
Energy: -0.5725508193128597
Energy: -0.2653881441175526
Energy: -0.5248203287791717
Energy: 0.048027589302174746
Energy: -0.09728724337526272
Energy: -0.37040167405984403
Energy: -0.32668595958767616
Energy: -0.360191234964266
Energy: 0.215149967965571
Energy: -0.3087019743148246
Energy: 0.5748830774435257
Energy: -0.11304465132557916
Energy: 0.629457919864247
Energy: 0.08962334119078756
Energy: 0.5969966171896754
Energy: 0.14439272003028533
Energy: 0.20272609205154227
Energy: -0.12779586919392347
Energy: 0.7124575588371025
Energy: -0.47029735516590027
Energy: -0.2796416259181039
Energy: -0.07266900047676199
Energy: -0.3888909831467483
Energy: 0.46589047875739126
Energy: -0.4933070682276348
Energy: -0.145061853550646
Energy: -0.5454056172876385
Energy: 0.11996985463398054
Energy: -0.38285050520548836
Energy: 0.6245807974910471
Energy: -0.19295251207082612
Energy: 0.17560131374784646
Energy: 0.6228772485265188
Energy: 0.6055665641314654
Energy: 0.20799541697273227
Energy: 0.02606529913449754
Energy: 0.5645386336300648
Energy: 0.4324024555862149
Energy: 0.42398566646492497
Energy: 0.03473551287040861
Energy: -0.19769793303473526
Energy: 0.5036888280973157
Energy: -0.29033740017873044
Energy: 0.6874983192003489
Energy: 0.7084263710957709
Energy: 0.2531131776607323
Energy: 0.5644664239616287
Energy: 0.31315098761564153
Energy: 0.4541979563397983
Energy: 0.024280156832674673
Energy: 0.6529162578747942
Energy: -0.26547957581572657
Energy: 0.6901130415414329
Energy: 0.4309829534258891
Energy: 0.4790146229045772

minimum gb energy = -0.5807935469416003 eV
minimum distance =  2.60365334508697 Angstroms
sigma value = 25


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

Energy: 0.2519839608706199
Energy: 0.6563351367588467
Energy: 0.6032998739874653
Energy: 0.3362886290572058
Energy: 0.5260352376737051
Energy: 0.5595791404598299
Energy: 0.5416362101461484
Energy: 0.5595793001269407
Energy: 0.5503529253425969
Energy: 0.5637178035266414
Energy: 0.6641290315367722
Energy: 0.5637178035747163
Energy: 0.5345105002366659
Energy: 0.5626032046135726
Energy: 0.4937833002772637
Energy: 0.5626032043350255
Energy: 0.6459924117678069
Energy: 0.6165231648122406
Energy: 0.7126371970203976
Energy: 0.6165111059612364
Energy: 0.7378969175222212
Energy: 0.6312449595399552
Energy: 0.5855068262569089
Energy: 0.6315039490729868
Energy: 0.623972392415441
Energy: 0.6659924049940525
Energy: 0.7338745653898648
Energy: 0.6639893134263811
Energy: 0.5519755306638094
Energy: 0.8579156622068881
Energy: 0.7030975376812704
Energy: 0.8579156621980214
Energy: 0.7494601647653755
Energy: 0.8890600756001917
Energy: 0.4689447679183612
Energy: 0.8890600759673464
Energy: 0.7552667007320687
Energy: 0.8929777043658994
Energy: 0.8102818702790605
Energy: 0.8929777043506998
Energy: 0.7134317188960196
Energy: 0.8688532719469865
Energy: 0.8359565808717448
Energy: 0.8688533053791847
Energy: 0.6622361805201937
Energy: 0.9583024471423424
Energy: 0.8498131160380424
Energy: 0.9583024470929431
Energy: 0.7842797649403028
Energy: 0.9440802005146818
Energy: 0.7772581876966198
Energy: 0.9440802011515169
Energy: 0.5968484797160964
Energy: 0.838730603515284
Energy: 0.6769196502448392
Energy: 0.8387300031207359
Energy: 0.602001404205503
Energy: 0.8711097579572658
Energy: 0.7647889400108729
Energy: 0.8711097512432362
Energy: 0.5237487447154482
Energy: 0.8916114253367311
Energy: 0.7174292003351841
Energy: 0.8916114256697438
Energy: 0.7544539500713101
Energy: 0.6382956029086434
Energy: 0.6698952168203997
Energy: 0.6382952219478945
Energy: 0.5268411796167966
Energy: 0.5509771990907547
Energy: 0.6913682509592245
Energy: 0.5509773602454835
Energy: 0.6390635195243118
Energy: 0.6904916742830892
Energy: 0.7740565177644889
Energy: 0.6904916741198069
Energy: 0.7234903227925725
Energy: 0.6483063116979306
Energy: 0.6049866179985394
Energy: 0.6483643646152579
Energy: 0.4064683105455024
Energy: 0.38268842966857397
Energy: 0.5199428126204743
Energy: 0.38268853874670966
Energy: 0.6477810048578391
Energy: 0.5697933192234168
Energy: 0.5448209365173172
Energy: 0.5697933192259501
Energy: 0.7101623785757367
Energy: 0.6894302727403577
Energy: 0.6476086839985121
Energy: 0.6894313489076149
Energy: 0.5942213316639564
Energy: 0.5646200882208414
Energy: 0.21118825292891572
Energy: 0.5646200882183081
Energy: 0.5532291881811191
Energy: 0.5904962382303786
Energy: 0.4755854760822729
Energy: 0.5904962382329119
Energy: 0.42137707676877817
Energy: 0.5579897168392828
Energy: 0.5619160989180845
Energy: 0.5579897168266164

minimum gb energy = 0.21118825292891572 eV
minimum distance =  2.56518397232755 Angstroms
sigma value = 41


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

Energy: 0.18721768137224545
Energy: 0.5496980268113072
Energy: 0.4685508338719406
Energy: 0.2352362744741164
Energy: 0.46435851747367807
Energy: 0.6982997852600484
Energy: 0.6216932685476453
Energy: 0.6982997852579715
Energy: 0.44091934227537677
Energy: 0.40870704721044465
Energy: 0.6283067538003226
Energy: 0.4087070472021372
Energy: 0.44573329371174975
Energy: 0.4300054481541312
Energy: 0.3696874358353458
Energy: 0.43000544814275554
Energy: 0.6195523974837089
Energy: 0.7362050430095084
Energy: 0.6220053217498283
Energy: 0.7362050430053545
Energy: 0.7704841161048335
Energy: 0.6149243850959352
Energy: 0.6066972754006567
Energy: 0.6149243850980122
Energy: 0.723666112168906
Energy: 0.6136394140518427
Energy: 0.6249093862185373
Energy: 0.6136394138920171
Energy: 0.6485760457050073
Energy: 0.8518169887339805
Energy: 0.727867760344499
Energy: 0.8518169887360576
Energy: 0.5856051735621194
Energy: 0.861195012376997
Energy: 0.7190465961212552
Energy: 0.8611950123759585
Energy: 0.6614101156347937
Energy: 0.8367725210179731
Energy: 0.8284504881765915
Energy: 0.8367725219376078
Energy: 0.7876571364044851
Energy: 0.9099349290321063
Energy: 0.7638970069302125
Energy: 0.9099349290331447
Energy: 0.6509506935882985
Energy: 0.9050215931000769
Energy: 0.7537994240670669
Energy: 0.905021593088654
Energy: 0.7949203379657505
Energy: 0.9149254811645692
Energy: 0.848341358626998
Energy: 0.9149254811666463
Energy: 0.8878644862457928
Energy: 0.9342748577252008
Energy: 0.8717821810886112
Energy: 0.9342748577241623
Energy: 0.8214766343032944
Energy: 0.9103421987776401
Energy: 0.8182645228029498
Energy: 0.9103421988004388
Energy: 0.8745786719088267
Energy: 0.947929265610706
Energy: 0.8700136961905715
Energy: 0.947929265610706
Energy: 0.9649739007213678
Energy: 0.8999834920211857
Energy: 0.8858052519428333
Energy: 0.8999834920357238
Energy: 0.7202817894854392
Energy: 0.925690791392779
Energy: 0.6743552582562229
Energy: 0.925690791392779
Energy: 0.7367247728815667
Energy: 0.9173374548897639
Energy: 0.7681625956476056
Energy: 0.9173374548845717
Energy: 0.8095954466990859
Energy: 0.8463540176865528
Energy: 0.8006111934254154
Energy: 0.8463540176875913
Energy: 0.5859245593637805
Energy: 0.8036220336259248
Energy: 0.6822751397913271
Energy: 0.8036220336269633
Energy: 0.7653886622502883
Energy: 0.8619948866492839
Energy: 0.6629895532357429
Energy: 0.8619948866523992
Energy: 0.6063439867172783
Energy: 0.6040682604327473
Energy: 0.6570097570841625
Energy: 0.6040682606029574
Energy: 0.5964863747688213
Energy: 0.5829239706088604
Energy: 0.461310365165935
Energy: 0.5829239708496845
Energy: 0.5619079968408203
Energy: 0.6834820061492051
Energy: 0.6363370131356706
Energy: 0.6834820057277864
Energy: 0.5751175842012117
Energy: 0.4054182580702311
Energy: 0.4079754005961729
Energy: 0.40541825806711573
Energy: 0.47780790590812366
Energy: 0.41853650733110503
Energy: 0.4611349420134609
Energy: 0.4185365073352589
Energy: 0.614241080408126
Energy: 0.6238615736257407
Energy: 0.44077484137696876
Energy: 0.6238615736579324
Energy: 0.43905810042331805
Energy: 0.394453211719184
Energy: 0.5546061425545589
Energy: 0.39445321170879954
Energy: 0.4045060641154606
Energy: 0.43751879011144756
Energy: 0.39090697954169035
Energy: 0.4375187901083322
Energy: 0.4657108481008653
Energy: 0.4575272916661447
Energy: 0.42747976116876224
Energy: 0.4575272916651063
Energy: 0.31923998391359854
Energy: 0.44483232155694524
Energy: 0.44921485089135665
Energy: 0.44483232155798363

minimum gb energy = 0.18721768137224545 eV
minimum distance =  2.60580741381459 Angstroms
sigma value = 15


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

Energy: 0.23388320271388632
Energy: 0.43848504577512243
Energy: 0.4228176800389108
Energy: 0.3484073807430113
Energy: 0.32223860119562264
Energy: 0.5651806577996817
Energy: 0.5751651838556571
Energy: 0.5651806577161096
Energy: 0.3732627488150332
Energy: 0.4974308509300365
Energy: 0.5400711160879156
Energy: 0.4974308509300365
Energy: 0.3730640364389295
Energy: 0.4904657808656896
Energy: 0.28517119196319135
Energy: 0.4904657808656896
Energy: 0.6214405937215515
Energy: 0.7149493221192299
Energy: 0.4981824988755063
Energy: 0.7149493221165907
Energy: 0.6491419914490135
Energy: 0.6532672839101491
Energy: 0.5591001101166866
Energy: 0.6532672839101491
Energy: 0.5618057868918713
Energy: 0.6593739176011745
Energy: 0.5727904588045748
Energy: 0.6593739176002948
Energy: 0.6433113604893385
Energy: 0.7058146276622501
Energy: 0.6736819273375076
Energy: 0.7058146296055211
Energy: 0.6600694165481378
Energy: 0.7749803122554387
Energy: 0.646828249930573
Energy: 0.7749803122554387
Energy: 0.7046279759878572
Energy: 0.7756755905725436
Energy: 0.7133923871737092
Energy: 0.7756755905681451
Energy: 0.6852585013754219
Energy: 0.8097047420607634
Energy: 0.7084637457503508
Energy: 0.8097047420563648
Energy: 0.6550750217995072
Energy: 0.839876928535983
Energy: 0.7536371390336334
Energy: 0.8398769285298252
Energy: 0.7573167447124344
Energy: 0.8327566959549106
Energy: 0.8039352059044199
Energy: 0.8327566959496323
Energy: 0.7877476336586384
Energy: 0.8513671045279935
Energy: 0.7441745898065718
Energy: 0.8513671045297528
Energy: 0.8370441711779638
Energy: 0.866079533785832
Energy: 0.740032730851208
Energy: 0.8660795337867117
Energy: 0.8497080923897622
Energy: 0.87129286048954
Energy: 0.8037401285878797
Energy: 0.8712928604842619
Energy: 0.8505948104251715
Energy: 0.8775418840919978
Energy: 0.8054099286955338
Energy: 0.8775418840902384
Energy: 0.8033113046880984
Energy: 0.90850945370027
Energy: 0.8229625808276013
Energy: 0.9085094536967512
Energy: 0.8161797439589384
Energy: 0.8800318076165116
Energy: 0.8458083063330143
Energy: 0.8800318076165116
Energy: 0.7908900852289606
Energy: 0.86777958016581
Energy: 0.8506831766294068
Energy: 0.8677795801640508
Energy: 0.7371690123679329
Energy: 0.8630031187869345
Energy: 0.8301738302222708
Energy: 0.8630031187816564
Energy: 0.7883089435048066
Energy: 0.852372263592803
Energy: 0.7856722150377058
Energy: 0.8523722635945623
Energy: 0.8060792145373807
Energy: 0.8334841034977581
Energy: 0.7412628970382202
Energy: 0.8334841035003973
Energy: 0.7196469704904266
Energy: 0.8387390159455631
Energy: 0.6088776103375033
Energy: 0.8387390159411645
Energy: 0.7110783725191007
Energy: 0.810647207226211
Energy: 0.7107509648862933
Energy: 0.8106472072358878
Energy: 0.6947645501588964
Energy: 0.7727970482084342
Energy: 0.7051757072576617
Energy: 0.7727970482066747
Energy: 0.6620611403771918
Energy: 0.7762849212440895
Energy: 0.6546551661133505
Energy: 0.7762849212388114
Energy: 0.7157211484559847
Energy: 0.7467039794539001
Energy: 0.644248370898844
Energy: 0.74670397945478
Energy: 0.5640734843688656
Energy: 0.6580215429688284
Energy: 0.6549107032402676
Energy: 0.6580215429705878
Energy: 0.5748296842327605
Energy: 0.6519455589960683
Energy: 0.5899765006152277
Energy: 0.6519455589925496
Energy: 0.4526108563892754
Energy: 0.6574247567992123
Energy: 0.648096536140382
Energy: 0.6574247567992123
Energy: 0.3473289361357893
Energy: 0.4137064985415844
Energy: 0.40633860194428134
Energy: 0.4137064985442236
Energy: 0.5709632400705618
Energy: 0.4985527106745764
Energy: 0.37324568173297606
Energy: 0.49855271068073426
Energy: 0.5130866347003166
Energy: 0.6517769646555828
Energy: 0.36079642368451575
Energy: 0.651776964652064
Energy: 0.4293743757415138
Energy: 0.501152951469648
Energy: 0.13038318449205036
Energy: 0.5011529514661291
Energy: 0.37173677564767077
Energy: 0.495283687686065
Energy: 0.4398023056233137
Energy: 0.4952836876887041
Energy: 0.4542740516905549
Energy: 0.49621430705654546
Energy: 0.37369503873649457
Energy: 0.49621430705654546

minimum gb energy = 0.13038318449205036 eV
minimum distance =  2.60926202580253 Angstroms
sigma value = 85


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

Energy: 0.16222180321239035
Energy: 0.42800549447173597
Energy: 0.4262758601886303
Energy: 0.14412253459775104
Energy: 0.2692785363563472
Energy: 0.4192369773261159
Energy: 0.411511325183636
Energy: 0.41923697737189414
Energy: 0.3110787421275756
Energy: 0.28237242150662617
Energy: 0.3639321159248693
Energy: 0.28237242155771053
Energy: 0.28912510139170267
Energy: 0.26608918201818915
Energy: 0.33325130476500264
Energy: 0.2660891820471474
Energy: 0.4818261420779531
Energy: 0.44380445289528053
Energy: 0.44725831763957696
Energy: 0.4438043878274973
Energy: 0.3742863416376917
Energy: 0.455239786793091
Energy: 0.4325871729957995
Energy: 0.45523978678240945
Energy: 0.5238674545705673
Energy: 0.42955575740512464
Energy: 0.44101596483412064
Energy: 0.42955575740741353
Energy: 0.5349730700583077
Energy: 0.6334617708002542
Energy: 0.590034347619957
Energy: 0.6334617712181888
Energy: 0.5081189560213164
Energy: 0.5984024429955634
Energy: 0.529947544454928
Energy: 0.5984024429978524
Energy: 0.5740916901294243
Energy: 0.5942798080497705
Energy: 0.5216924656037769
Energy: 0.5942798080581633
Energy: 0.5264346506907919
Energy: 0.6997786273815494
Energy: 0.5612580439652437
Energy: 0.6997786273807862
Energy: 0.5550591502971709
Energy: 0.6645360342001537
Energy: 0.6179102732477033
Energy: 0.6645360341993908
Energy: 0.5932096379781864
Energy: 0.6538861896650882
Energy: 0.5332682519427024
Energy: 0.653886189667377
Energy: 0.5584396576027689
Energy: 0.6882298063801983
Energy: 0.6380643377763731
Energy: 0.6882298063748574
Energy: 0.6750119298537655
Energy: 0.6909723265985968
Energy: 0.546396556058078
Energy: 0.6909723266657383
Energy: 0.6728972325804461
Energy: 0.6617543308893673
Energy: 0.582911733352152
Energy: 0.6617543310060325
Energy: 0.679588667179988
Energy: 0.7201368392878181
Energy: 0.5172803695297556
Energy: 0.7201368391970593
Energy: 0.6493025303421763
Energy: 0.7139987309408878
Energy: 0.6783592646989163
Energy: 0.7139987309492806
Energy: 0.6030195476437559
Energy: 0.7082737885610685
Energy: 0.6354987794790737
Energy: 0.7082737885260065
Energy: 0.5860703972049386
Energy: 0.7133829493786065
Energy: 0.6117273921345422
Energy: 0.7133829493808954
Energy: 0.6513471929126877
Energy: 0.7117134139741719
Energy: 0.6488765943797041
Energy: 0.7117134139703571
Energy: 0.5642422469862299
Energy: 0.7140090873376139
Energy: 0.5854822800305535
Energy: 0.7140090874108245
Energy: 0.6149477628819086
Energy: 0.6892273575174254
Energy: 0.5472809251015305
Energy: 0.6892273574709188
Energy: 0.6572162290376518
Energy: 0.7017152571650589
Energy: 0.6425720741162395
Energy: 0.7017152571795553
Energy: 0.5709752949494759
Energy: 0.7366199014296888
Energy: 0.6510118856093633
Energy: 0.7366199014304516
Energy: 0.6023267460293178
Energy: 0.6528384915381981
Energy: 0.6485183249780979
Energy: 0.6528384915153089
Energy: 0.6187100401540994
Energy: 0.6663297990630528
Energy: 0.627904775461245
Energy: 0.6663297988563917
Energy: 0.6484579117356383
Energy: 0.6993053741201615
Energy: 0.5425848203527839
Energy: 0.6993053741209244
Energy: 0.6057058670821691
Energy: 0.6617091698640966
Energy: 0.5517501938062558
Energy: 0.6617091698618076
Energy: 0.5552055052384618
Energy: 0.6619650948920336
Energy: 0.6172213274637824
Energy: 0.6619650948927965
Energy: 0.5707350240885511
Energy: 0.5312487251801862
Energy: 0.5874677745994976
Energy: 0.5312487251801862
Energy: 0.4267117454479866
Energy: 0.5879022307152507
Energy: 0.5113748639656212
Energy: 0.5879022307450066
Energy: 0.5895897695642203
Energy: 0.5927479665931601
Energy: 0.5254552813739193
Energy: 0.5927479665969749
Energy: 0.5728034837395565
Energy: 0.536452554915475
Energy: 0.5087498947349318
Energy: 0.536452554917001
Energy: 0.4431391528215951
Energy: 0.4415481339868526
Energy: 0.40009267745354177
Energy: 0.4415481339845983
Energy: 0.43099520642368466
Energy: 0.482962610641506
Energy: 0.5003224469456947
Energy: 0.482962610641506
Energy: 0.4480968329006978
Energy: 0.40987274349239095
Energy: 0.5316181592488096
Energy: 0.40987274346110913
Energy: 0.29332736958752803
Energy: 0.27426450372293554
Energy: 0.30062874167283515
Energy: 0.27426450384265255
Energy: 0.3989502868091723
Energy: 0.2747140809678112
Energy: 0.3090091420327053
Energy: 0.2747140809662852
Energy: 0.43600444413525924
Energy: 0.45580660415553104
Energy: 0.3974893565447217
Energy: 0.4558066042836407
Energy: 0.3132473342560197
Energy: 0.31374242692209825
Energy: 0.3020744561587868
Energy: 0.3137424269205723
Energy: 0.2433697144107648
Energy: 0.40502104180288145
Energy: 0.29095275751226973
Energy: 0.4050210417960148
Energy: 0.40323915100247765
Energy: 0.27218397649197357
Energy: 0.28229054675966103
Energy: 0.27218397641342224

minimum gb energy = 0.14412253459775104 eV
minimum distance =  2.53247631710033 Angstroms
sigma value = 113


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

Energy: 0.019313763334487942
Energy: 0.2553512366812306
Energy: 1.536331516416129
Energy: 0.02024378979755063
Energy: -0.010340201005305305
Energy: 0.22586727597318496
Energy: -0.0017731269313401416
Energy: 0.2258672759685904
Energy: -0.002648158407482339
Energy: 0.2356655400770378
Energy: 0.014016186458301856
Energy: 0.23566554007475687
Energy: -0.016275115705105318
Energy: 0.25332312267008494
Energy: 0.020157487683355877
Energy: 0.2533231226694984
Energy: -0.005398670770757526
Energy: 0.2176134201176493
Energy: -0.010138710758182838
Energy: 0.21761342011996287
Energy: 0.014853601763000945
Energy: 0.24060721615165898
Energy: -0.0017940040192926492
Energy: 0.24060721615338596

minimum gb energy = -0.016275115705105318 eV
minimum distance =  2.69584497963009 Angstroms
sigma value = 1