Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6473073810338983
cohesive_energy=4.1514735882010125
mass=55.845
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=[0.0, 0.0, 0.0, 2.7774533038707e-21, 1.0382729437207259e-19, 2.5036413171201e-19, 3.75348328753716e-19, 4.6550441012553e-19, 5.233237604933219e-19, 5.542970391818099e-19, 5.7220937394993e-19, 5.88013244267706e-19, 6.019201374508259e-19, 6.14103088575762e-19, 6.24709497892842e-19, 6.3386113082624995e-19, 6.41666935387098e-19, 6.48215031290256e-19, 6.535903338973259e-19, 6.578617368035699e-19, 6.610933270743479e-19, 6.633427830684839e-19, 6.646581700849979e-19, 6.6508755342291e-19, 6.646245243756839e-19, 6.631280913995279e-19, 6.60407595474996e-19, 6.562419362265959e-19, 6.503587436265479e-19, 6.424359801714179e-19, 6.3208271476251e-19, 6.188231009395259e-19, 6.02077150760958e-19, 5.81002119317322e-19, 5.52515418764802e-19, 5.1395583371432395e-19, 4.64419736544312e-19, 4.0325824571799595e-19, 3.29577346673604e-19, 2.416082364072e-19, 1.3621064871614399e-19, 8.601493542591419e-21, -1.477492043988852e-19, -3.4521298844481e-19, -5.99861340476136e-19, -9.32925023505324e-19, -1.436897694613194e-18, -2.21840581096908e-18, -3.24051439462938e-18, -4.576777772684399e-18, -6.56919656942778e-18, -9.898103048954939e-18, -1.577701783739016e-17, -2.7572819000486398e-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: 0.01572806206123458
Energy: 0.0163177041825738
Energy: 1.1783353465366546
Energy: 0.1286314141580193
Energy: 0.0163177041825738
Energy: 1.5743944302547643
Energy: 0.1286314141580193
Energy: 1.5743944302541482
Energy: 1.1783353465366546
Energy: 0.1286314141574031
Energy: 0.01572806206123458
Energy: 0.016317704183155722
Energy: 0.1286314141580193
Energy: 1.5743944302535664
Energy: 0.016317704183155722
Energy: 1.5743944302553805

minimum gb energy = 0.01572806206123458 eV
minimum distance =  2.56325625395394 Angstroms
sigma value = 1


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

Energy: 1.9614254112712102
Energy: 1.180637730198383
Energy: 1.1762829192656508
Energy: 1.2287855994962336
Energy: 1.2578612382403873
Energy: 1.1609524007229164
Energy: 1.1929288498604464
Energy: 1.1609524007274
Energy: 1.1793617289457141
Energy: 1.3043901468007484
Energy: 2.133592484779057
Energy: 1.3043901467947703
Energy: 1.2217429691614823
Energy: 1.2189463080220038
Energy: 1.192759549040199
Energy: 1.218946308016773
Energy: 1.8107144636025478
Energy: 1.2241926471267606
Energy: 1.1358803530158137
Energy: 1.2241926471275077
Energy: 1.2211653654732015
Energy: 1.1551853329421355
Energy: 1.1797069816631625
Energy: 1.1551853329443773
Energy: 1.2546670065601033
Energy: 1.4001233951282568
Energy: 1.8110853753600216
Energy: 1.4001233951297516
Energy: 1.2019492403467436
Energy: 1.2858242582203498
Energy: 1.2032796912247794
Energy: 1.285824258673734
Energy: 1.526000208525988
Energy: 1.416064821027338
Energy: 1.3667313912952093
Energy: 1.4160648210280853
Energy: 1.2132624819099742
Energy: 1.337602456649413
Energy: 1.2080009340489972
Energy: 1.3376024566516551
Energy: 1.414274730420899
Energy: 1.3999834886199183
Energy: 1.5265784135567322
Energy: 1.3999834886206655
Energy: 1.1996226327471218
Energy: 1.3782909123557865
Energy: 1.2060049190649307
Energy: 1.3782909123565337
Energy: 1.287805093945879
Energy: 1.3862911232048696
Energy: 1.3071725959708052
Energy: 1.3862911232063637
Energy: 1.2233607592909352
Energy: 1.3709081763713433
Energy: 1.199030674563232
Energy: 1.3709081763720905
Energy: 1.4968094578101248
Energy: 1.2302579049947688
Energy: 1.1549840974197079
Energy: 1.2302579049925273
Energy: 1.1790790288808415
Energy: 1.2215614783436664
Energy: 1.2293847674225373
Energy: 1.221561478233819
Energy: 1.1769261040680132
Energy: 1.1326660224866534
Energy: 1.277354637869218
Energy: 1.1326660224836642
Energy: 1.1929545780322395
Energy: 1.2586851921627642
Energy: 1.2471973718112417
Energy: 1.2586851921620172
Energy: 2.133335252593035
Energy: 1.3036880807105093
Energy: 1.188960393105406
Energy: 1.3036880807082674
Energy: 1.207137009829589
Energy: 1.221736278162613
Energy: 1.1882811605829964
Energy: 1.2217362781618657
Energy: 1.1382083181061653
Energy: 1.2242129238023334
Energy: 1.8109025460141257
Energy: 1.224212923798597
Energy: 1.1790355941248885
Energy: 1.2227304098352572
Energy: 1.220683412055264
Energy: 1.2227304098345102
Energy: 1.8109044464239492
Energy: 1.4002095917626023
Energy: 1.1835774270318666
Energy: 1.4002095917603605
Energy: 1.1957194870886956
Energy: 1.3789108770622438
Energy: 1.1985218893524556
Energy: 1.3789108770622438
Energy: 1.3591903751109948
Energy: 1.4168232640507266
Energy: 1.5259959331644164
Energy: 1.4168232640507266
Energy: 1.235060379308626
Energy: 1.4057426618824833
Energy: 1.215512069153021
Energy: 1.4057426618817361
Energy: 1.5264304475616144
Energy: 1.3947001108214692
Energy: 1.3984195206159462
Energy: 1.3947001108214692
Energy: 1.2082255183887394
Energy: 1.4061494642466568
Energy: 1.2001125600020544
Energy: 1.4061494642481513
Energy: 1.2989161462494974
Energy: 1.386784756898182
Energy: 1.28700955504004
Energy: 1.386784756898182
Energy: 1.1918281177449492
Energy: 1.4083733179817821
Energy: 1.2235521485154934
Energy: 1.4083733179825293
Energy: 1.1541689293735606
Energy: 1.2228910901697698
Energy: 1.485271734262653
Energy: 1.2228910901720116
Energy: 1.2309828628162969
Energy: 1.2511550272610874
Energy: 1.2355268055538868
Energy: 1.2511550272588454
Energy: 1.2768089706794665
Energy: 1.1839576896773218
Energy: 1.1878054394197288
Energy: 1.1839576896780692

minimum gb energy = 1.1326660224836642 eV
minimum distance =  2.3104052526301 Angstroms
sigma value = 1


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

Energy: 2.2199880240561054
Energy: 1.1120248818897884
Energy: 1.2488026148475173
Energy: 1.1743435895843988
Energy: 1.3000893028259846
Energy: 1.2256956569882644
Energy: 1.2663042783420528
Energy: 1.2256956569899684
Energy: 1.2097222342967413
Energy: 1.3756876605867012
Energy: 2.031736940203757
Energy: 1.3756876605875534
Energy: 1.3071507542414773
Energy: 1.2884870626818827
Energy: 1.2652444093571973
Energy: 1.2884870626810305
Energy: 2.036281265745666
Energy: 1.302292874471065
Energy: 1.2101505000769517
Energy: 1.3022928744693612
Energy: 1.2953381063050835
Energy: 1.2278508570159548
Energy: 1.2534405046297998
Energy: 1.227850857018511
Energy: 1.3469186790930263
Energy: 1.4979085599021038
Energy: 1.6815091806389044
Energy: 1.4979085599029556
Energy: 1.2728326958795357
Energy: 1.3560911434556089
Energy: 1.2824468814576402
Energy: 1.3560911434343088
Energy: 1.6853994444643154
Energy: 1.4970013984658788
Energy: 1.4286277285188185
Energy: 1.4970013984658788
Energy: 1.306281686193369
Energy: 1.4488823272626636
Energy: 1.273501289750408
Energy: 1.4488823272609597
Energy: 1.5228727181333637
Energy: 1.494887789193888
Energy: 1.3899423089106628
Energy: 1.494887789193888
Energy: 1.2881242683105973
Energy: 1.4563470364255549
Energy: 1.3022271107591754
Energy: 1.4563470364255549
Energy: 1.227603172189841
Energy: 1.469210577649318
Energy: 1.391225834975629
Energy: 1.46921057765017
Energy: 1.3043810453139286
Energy: 1.2981018598606369
Energy: 1.2517918069214904
Energy: 1.2981018598623408
Energy: 1.3611770404834398
Energy: 1.1745161482617497
Energy: 1.2471669454654117
Energy: 1.1745161482617497
Energy: 1.3228368933778172
Energy: 1.215660195415445
Energy: 1.2658110699757719
Energy: 1.2156601954145931
Energy: 1.2193916012877815
Energy: 1.3914565100951086
Energy: 2.0320565963252206
Energy: 1.3914565100951086
Energy: 1.287249108857883
Energy: 1.2174918558057637
Energy: 1.2783922321985666
Energy: 1.2174918558083199
Energy: 2.035899840337861
Energy: 1.300786770742785
Energy: 1.2087489803465827
Energy: 1.300786770741933
Energy: 1.2953774841540984
Energy: 1.3298501551858295
Energy: 1.254002314875496
Energy: 1.3298501551866815
Energy: 1.2636915865646172
Energy: 1.497898276487384
Energy: 1.6819478594333472
Energy: 1.497898276488236
Energy: 1.2866642415091727
Energy: 1.5166806270717323
Energy: 1.2875093800611013
Energy: 1.5166806270717323
Energy: 1.6867494504874472
Energy: 1.496550869766268
Energy: 1.425638915383079
Energy: 1.496550869766268
Energy: 1.2960705920799096
Energy: 1.516426445651746
Energy: 1.3208680710345284
Energy: 1.516426445651746
Energy: 1.520446764200932
Energy: 1.4947986376828846
Energy: 1.3891887506989438
Energy: 1.4947986376820324
Energy: 1.262971549061965
Energy: 1.5080362993386163
Energy: 1.3017898816999824
Energy: 1.5080362993386163
Energy: 1.2268125832741872
Energy: 1.299772213147358
Energy: 1.5530206561413722
Energy: 1.2997722131379859
Energy: 1.303735410003852
Energy: 1.3166946358478366
Energy: 1.3112097929495747
Energy: 1.3166946358469847
Energy: 1.6593137023530988
Energy: 1.1917355561212961
Energy: 1.248240405483975
Energy: 1.1917355561212961

minimum gb energy = 1.1120248818897884 eV
minimum distance =  2.30855557983774 Angstroms
sigma value = 25


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

Energy: 2.1021741449969844
Energy: 1.1702161575754997
Energy: 1.3301750508249688
Energy: 1.241126216521542
Energy: 1.3826637435436084
Energy: 1.2904201174973677
Energy: 1.3015890473311038
Energy: 1.2904201175052914
Energy: 1.2757618385861191
Energy: 1.4762797544694557
Energy: 1.8983426229793714
Energy: 1.476279754470446
Energy: 1.2586470615155905
Energy: 1.3692360811064817
Energy: 1.3933983846740343
Energy: 1.3692360811084623
Energy: 1.896981666975264
Energy: 1.40383720092958
Energy: 1.2892249839294103
Energy: 1.4038372009285895
Energy: 1.3841475556360885
Energy: 1.296632509276171
Energy: 1.340371845369979
Energy: 1.2966325092751805
Energy: 1.3617700913749227
Energy: 1.6098891964496789
Energy: 1.5258460872635777
Energy: 1.6098891964496789
Energy: 1.3505008538542218
Energy: 1.4769293681915712
Energy: 1.3536554282798956
Energy: 1.4769293681915712
Energy: 1.5253110289468281
Energy: 1.606263817883966
Energy: 1.5734365620732702
Energy: 1.606263817883966
Energy: 1.3989607820118493
Energy: 1.5321238651346853
Energy: 1.3530365907515496
Energy: 1.5321238651346853
Energy: 1.4643221433759113
Energy: 1.579173691018067
Energy: 1.2615478510880367
Energy: 1.579173691018067
Energy: 1.3396554804826537
Energy: 1.4044404605020482
Energy: 1.3785800962498909
Energy: 1.4044404605030387
Energy: 1.3300218116807485
Energy: 1.2375259117575688
Energy: 1.4533105148430232
Energy: 1.237525911755588
Energy: 1.3784516253970391
Energy: 1.2873822761397973
Energy: 1.3837487514381894
Energy: 1.287382276138807
Energy: 1.896615949671337
Energy: 1.494406040116541
Energy: 1.2767669077969723
Energy: 1.4944060401175316
Energy: 1.358061420615783
Energy: 1.2877931891796564
Energy: 1.2595916302745935
Energy: 1.2877931891796564
Energy: 1.2856757511944759
Energy: 1.441216918587472
Energy: 1.8975116734143338
Energy: 1.4412169185864814
Energy: 1.3121514556740126
Energy: 1.297777868140396
Energy: 1.3837683755370667
Energy: 1.2977778681384151
Energy: 1.525789058727063
Energy: 1.6164725198276781
Energy: 1.3617723516842828
Energy: 1.6164725198286687
Energy: 1.3546669888988558
Energy: 1.635716729665586
Energy: 1.379083727546443
Energy: 1.6357167296665764
Energy: 1.4055624193850664
Energy: 1.607240767259372
Energy: 1.524153416170581
Energy: 1.6072407672603624
Energy: 1.4059629172956039
Energy: 1.6062812310079757
Energy: 1.3980855662449523
Energy: 1.6062812310069852
Energy: 1.2601279253516815
Energy: 1.389937981718563
Energy: 1.4509049222633321
Energy: 1.3899379817175725
Energy: 1.390832093715426
Energy: 1.3953080086073668
Energy: 1.398276961752541
Energy: 1.3953080086053857
Energy: 1.44271585040307
Energy: 1.239168671903265
Energy: 1.317978435458586
Energy: 1.239168671903265

minimum gb energy = 1.1702161575754997 eV
minimum distance =  2.29593195868787 Angstroms
sigma value = 9


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

Energy: 1.9274676535499142
Energy: 1.2294102401329587
Energy: 1.3602763630420391
Energy: 1.3156386243684024
Energy: 1.478274646981621
Energy: 1.362938286333008
Energy: 1.4707646929816836
Energy: 1.3629382863318265
Energy: 1.3596794139823702
Energy: 1.3593456189282418
Energy: 2.227814683289219
Energy: 1.3593456189282418
Energy: 1.363032822788872
Energy: 1.484389702303006
Energy: 1.5228764564626378
Energy: 1.4843897023018247
Energy: 1.7079986392862991
Energy: 1.466188646926971
Energy: 1.314452753089309
Energy: 1.4661886469257894
Energy: 1.4449805322976625
Energy: 1.3859764112475956
Energy: 1.4235381436483485
Energy: 1.3859764112475956
Energy: 1.4114256801805922
Energy: 1.73923991507822
Energy: 1.7195635806040332
Energy: 1.73923991507822
Energy: 1.4762045003778859
Energy: 1.6437039133887608
Energy: 1.5261338071797992
Energy: 1.6437039133887608
Energy: 1.353483699520085
Energy: 1.4964643370372217
Energy: 1.522037831924569
Energy: 1.4964643370384034
Energy: 1.4693653151156774
Energy: 1.7701515980309015
Energy: 1.4483871592737447
Energy: 1.7701515980309015
Energy: 1.929692008847813
Energy: 1.301278276091939
Energy: 1.3587452991126225
Energy: 1.3012782760907573
Energy: 1.4779468995073657
Energy: 1.3023080887114038
Energy: 1.4705326932937448
Energy: 1.3023080887137668
Energy: 1.365277567135674
Energy: 1.5749721984973217
Energy: 1.5245790669346873
Energy: 1.5749721984973217
Energy: 1.330503961228208
Energy: 1.3663365253558601
Energy: 1.4108967031151327
Energy: 1.3663365253570416
Energy: 1.7085218013873313
Energy: 1.4971196009656134
Energy: 1.316955140031085
Energy: 1.4971196009644319
Energy: 1.4443056239999237
Energy: 1.388991788843826
Energy: 1.4091536759690562
Energy: 1.3889917888426442
Energy: 1.3995557179488343
Energy: 1.7380763831432193
Energy: 1.71906801749918
Energy: 1.7380763831432193
Energy: 1.4002036228534753
Energy: 1.7213381371112477
Energy: 1.4276618557718348
Energy: 1.7213381371112477
Energy: 1.35241915121698
Energy: 1.4952355337713945
Energy: 1.5272522969311388
Energy: 1.4952355337690317
Energy: 1.4693556899442273
Energy: 1.4991435415176952
Energy: 1.5184032460932229
Energy: 1.499143541516514
Energy: 1.533806246245747
Energy: 1.3013139161369747
Energy: 1.4022362209295833
Energy: 1.3013139161369747

minimum gb energy = 1.2294102401329587 eV
minimum distance =  2.30021928174819 Angstroms
sigma value = 25


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

Energy: 1.686575074458287
Energy: 1.2789571589527275
Energy: 1.4072082116144407
Energy: 1.405852357134163
Energy: 1.642552223310809
Energy: 1.4105763202308654
Energy: 1.8049391379438802
Energy: 1.4105763202294044
Energy: 1.4514021059468993
Energy: 1.403969062338637
Energy: 2.0206748961309975
Energy: 1.403969062338637
Energy: 1.4104144653557042
Energy: 1.3722375503191435
Energy: 1.8046991365293914
Energy: 1.372237550176014
Energy: 1.4760063701908708
Energy: 1.5755551691530834
Energy: 1.4047989468116002
Energy: 1.5755551691530834
Energy: 1.6086227464132994
Energy: 1.5722110839679229
Energy: 1.407026810620424
Energy: 1.5722110839679229
Energy: 1.52893739849316
Energy: 1.571345633569854
Energy: 1.4726136963668521
Energy: 1.571345633569854
Energy: 1.5291849026157274
Energy: 1.486712437558043
Energy: 1.7552571313782466
Energy: 1.486712437558043
Energy: 1.3690754917483754
Energy: 1.3704668282342953
Energy: 1.6483865234762196
Energy: 1.3704668282342953
Energy: 1.5328914165507952
Energy: 1.3679560951313279
Energy: 1.5857292160290144
Energy: 1.3679560951079823
Energy: 1.7113737618741043
Energy: 1.678739937533217
Energy: 1.5633283932520674
Energy: 1.678739937533217
Energy: 1.6305144136706982
Energy: 1.4103907397933217
Energy: 1.4104569604292458
Energy: 1.4103907397933217
Energy: 1.4067543739357948
Energy: 1.5726831892797644
Energy: 1.4760930401232513
Energy: 1.5726831892812254
Energy: 1.4040938266824547
Energy: 1.6273489999700386
Energy: 1.6092998760820307
Energy: 1.6273489999714998
Energy: 1.4708651347987798
Energy: 1.570291422315957
Energy: 1.5283412116728696
Energy: 1.570291422314496
Energy: 1.5593911341809092
Energy: 1.616829424120162
Energy: 1.5302726410259222
Energy: 1.616829424121623
Energy: 1.6467060166933216
Energy: 1.4579684910407658
Energy: 1.3738772830606714
Energy: 1.4579684910407658

minimum gb energy = 1.2789571589527275 eV
minimum distance =  2.28751534999925 Angstroms
sigma value = 17


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

Energy: 2.2711884433669947
Energy: 1.5931951074335726
Energy: 1.59216644111158
Energy: 1.5571001411942536
Energy: 1.6873545114474322
Energy: 1.4271608101260858
Energy: 1.7367641269794252
Energy: 1.4271608101649427
Energy: 1.4196109499238119
Energy: 1.384153570435516
Energy: 2.0771325667515224
Energy: 1.3841535704346883
Energy: 1.4693944988457281
Energy: 1.6318233053311593
Energy: 1.656246752250325
Energy: 1.6318233053311593
Energy: 1.5665852303559307
Energy: 1.8229510925638484
Energy: 1.473426394430709
Energy: 1.8229510925638484
Energy: 1.6446912580432782
Energy: 1.7228636083762412
Energy: 1.6333006354185018
Energy: 1.7228636083762412
Energy: 1.7703533713085329
Energy: 1.3554960983214002
Energy: 1.3532948256741386
Energy: 1.3554960983189175
Energy: 1.6238092168765377
Energy: 1.3498598642016792
Energy: 1.5305453739285915
Energy: 1.349859864205817
Energy: 1.656087491058103
Energy: 1.7616733486571312
Energy: 1.7338470047525079
Energy: 1.7616733486579585
Energy: 1.5768862807474748
Energy: 1.6320348050589872
Energy: 1.6756335741602413
Energy: 1.6320348050581595
Energy: 1.7107657806753087
Energy: 1.8402427344333405
Energy: 1.4547232652699074
Energy: 1.8402427344333405
Energy: 1.722098265774208
Energy: 1.5546973702496825
Energy: 1.4673091891237644
Energy: 1.5546973702505098
Energy: 1.6459609887432503
Energy: 1.5129620584285033
Energy: 1.4270058639889833
Energy: 1.5129620584293308
Energy: 1.6479236060524858
Energy: 1.6521556303518532
Energy: 1.4988510399026378
Energy: 1.652155630348543
Energy: 1.5188997280943313
Energy: 1.4696035652907156
Energy: 1.7685266889137723
Energy: 1.4696035652915433
Energy: 1.5747235948061995
Energy: 1.4694554482646076
Energy: 1.7386601565114654
Energy: 1.4694554482646076
Energy: 1.6962428637127331
Energy: 1.355779507536842
Energy: 1.5003902151534474
Energy: 1.3557795075351868
Energy: 1.7111814990130174
Energy: 1.3498215856862712
Energy: 1.3842414016076827
Energy: 1.3498215856862712
Energy: 1.645117200430567
Energy: 1.8889414505092685
Energy: 1.562870512330278
Energy: 1.8889414505092685
Energy: 1.5407389903535262
Energy: 1.8359685038099776
Energy: 1.5648858706845334
Energy: 1.8359685038108051
Energy: 1.460964687391612
Energy: 1.3871338991672306
Energy: 1.7733009032023344
Energy: 1.3871338991672306
Energy: 1.4189208757194625
Energy: 1.8648101189730926
Energy: 1.8761959658482696
Energy: 1.8648101189730926
Energy: 1.6287954592031568
Energy: 1.6016983955539899
Energy: 1.7231433780931518
Energy: 1.6016983955548174
Energy: 1.7390741848619016
Energy: 1.5188623040233467
Energy: 1.5911524982289464
Energy: 1.5188623040250016
Energy: 1.616477941044093
Energy: 1.6666125047130134
Energy: 1.6788284051515685
Energy: 1.6666125047146683
Energy: 1.3942820402494416
Energy: 1.6490287889136792
Energy: 1.623506113973122
Energy: 1.6490287889136792
Energy: 1.5788972759826594
Energy: 1.4828353021879443
Energy: 1.7127144313927762
Energy: 1.482835302188772
Energy: 1.3966398830228774
Energy: 1.6073987440130357
Energy: 1.7745348859038048
Energy: 1.6073987440146906
Energy: 1.5543941418925848
Energy: 1.6528227438403806
Energy: 1.6409318251827945
Energy: 1.6528227438403806
Energy: 2.2718401011762177
Energy: 1.478319245371147
Energy: 1.5903449336376831
Energy: 1.4783192453719747

minimum gb energy = 1.3498215856862712 eV
minimum distance =  2.30053559048549 Angstroms
sigma value = 53


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

Energy: 2.0580713989846897
Energy: 2.0144294227867627
Energy: 1.463364170961063
Energy: 1.8480357590068355
Energy: 1.7427840245367034
Energy: 1.390596620925589
Energy: 1.416296024507976
Energy: 1.390596620925589
Energy: 1.5961203772986614
Energy: 1.4623080387794802
Energy: 1.663418668071933
Energy: 1.4623080387794802
Energy: 1.5842152949337645
Energy: 1.365946538679685
Energy: 1.5642008747083014
Energy: 1.365946538679685
Energy: 1.5234911592804001
Energy: 1.3644457625187232
Energy: 1.2685444621272068
Energy: 1.3644457625187232
Energy: 1.6176372421631215
Energy: 1.36477772778334
Energy: 1.2688554438591864
Energy: 1.364777727785245
Energy: 1.7399318329458742
Energy: 1.3916585917091264
Energy: 1.3913249457065664
Energy: 1.3916585917110311
Energy: 1.7401764725235809
Energy: 1.391702905097596
Energy: 1.415407348374005
Energy: 1.391702905099458
Energy: 1.6001641708603325
Energy: 1.3918611450425333
Energy: 1.6643315179774507
Energy: 1.3918611450425333
Energy: 1.481314304565617
Energy: 1.390656270198864
Energy: 1.5657945753889666
Energy: 1.390656270196959
Energy: 1.6671898003543566
Energy: 1.6711647449837417
Energy: 1.2686879806761344
Energy: 1.6711647449837417
Energy: 1.6146799106480687
Energy: 1.363451381432228
Energy: 1.2704982401873512
Energy: 1.363451381432228
Energy: 1.739681360380044
Energy: 1.3913280504021537
Energy: 1.3894247344447554
Energy: 1.3913280504021537

minimum gb energy = 1.2685444621272068 eV
minimum distance =  2.29948410151437 Angstroms
sigma value = 9


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

Energy: 1.992758229007262
Energy: 1.6046940377922096
Energy: 1.7129094117057104
Energy: 1.674833084851056
Energy: 1.6921891957749449
Energy: 2.158093295238916
Energy: 1.7500954487722362
Energy: 2.158093295238916
Energy: 1.4679691998394928
Energy: 1.378135431362312
Energy: 1.8349474948192
Energy: 1.3781354313559657
Energy: 1.413180885965175
Energy: 1.3787710363571226
Energy: 1.8410595950575523
Energy: 1.3787710363571226
Energy: 1.3794223901580487
Energy: 1.3776366033774798
Energy: 1.7931017398932345
Energy: 1.3776366033767748
Energy: 1.541754311657301
Energy: 1.73019586668827
Energy: 1.791360549958031
Energy: 1.7301958666932058
Energy: 1.9433880609858603
Energy: 1.5510964000584788
Energy: 1.744854797389792
Energy: 1.5510964000556582
Energy: 1.8668650671364713
Energy: 1.5214256796355148
Energy: 1.5922174899743264
Energy: 1.52142567963622
Energy: 1.5183123808405452
Energy: 2.0397692957785787
Energy: 1.544756787385978
Energy: 2.0397692957785787
Energy: 1.4031601889284033
Energy: 1.70514540685896
Energy: 1.6020040478277684
Energy: 1.70514540685896
Energy: 1.4047558007878536
Energy: 1.3927698392587347
Energy: 1.8913142241673717
Energy: 1.3927698392580292
Energy: 1.6139667851487314
Energy: 1.665803339964268
Energy: 1.8949969630861503
Energy: 1.6658033399614474
Energy: 1.813455177485389
Energy: 1.3943305666327226
Energy: 1.7789165985174358
Energy: 1.3943305666327226
Energy: 1.8719213684873166
Energy: 1.393843450340572
Energy: 1.4080306797718891
Energy: 1.3938434503412773
Energy: 1.6908959906330343
Energy: 1.6009303491014593
Energy: 1.5557869989214794
Energy: 1.6009303491007543
Energy: 1.6051427005681353
Energy: 1.7124848740797
Energy: 1.5407788863955239
Energy: 1.7124848740768797
Energy: 1.5504604195079672
Energy: 1.7800980895501386
Energy: 1.5707150289646645
Energy: 1.7800980900258438
Energy: 1.7105219262669324
Energy: 1.6109859769719543
Energy: 1.9946936406868234
Energy: 1.6109859769733645
Energy: 1.730759742633986
Energy: 2.138822032509288
Energy: 1.7713486015112576
Energy: 2.138822032505057
Energy: 1.8338004901442753
Energy: 1.3787119426318883
Energy: 1.4110557894546625
Energy: 1.3787119426325936
Energy: 1.8428555989394717
Energy: 1.3778304586701098
Energy: 1.3869538710750224
Energy: 1.3778304586701098
Energy: 1.7359974280877382
Energy: 1.3776814806186921
Energy: 1.3773668680840732
Energy: 1.3776814806201025
Energy: 1.7927601741532517
Energy: 1.7273638100255155
Energy: 1.5422055748397416
Energy: 1.7273638100234001
Energy: 1.8329286869347774
Energy: 1.5043184668699692
Energy: 1.8716619490431914
Energy: 1.5043184668720846
Energy: 1.5925413533505353
Energy: 1.5158939721291755
Energy: 1.8665379292588056
Energy: 1.5158939721305855
Energy: 1.5114921920031044
Energy: 2.048202750954253
Energy: 1.5138016264244483
Energy: 2.048202750955663
Energy: 1.6139085062932852
Energy: 1.6938867611324901
Energy: 1.4022237908515929
Energy: 1.6938867611331954
Energy: 1.9048693172269664
Energy: 1.392212163854072
Energy: 1.4054396750560814
Energy: 1.3922121638519567
Energy: 1.9842579021240478
Energy: 1.4089332108386932
Energy: 1.6002044231136858
Energy: 1.408933206510425
Energy: 1.7805691412346283
Energy: 1.806042113147432
Energy: 1.8148531800796217
Energy: 1.806042113147432
Energy: 1.4112305396712737
Energy: 1.3929146975113487
Energy: 1.761736415385521
Energy: 1.3929146975106435
Energy: 1.4561273412458813
Energy: 1.770467501687935
Energy: 1.6922140833867734
Energy: 1.770467501687935
Energy: 1.5163031996872596
Energy: 1.7127900540353906
Energy: 1.6050265585508214
Energy: 1.7127900540353906
Energy: 1.5695508704658667
Energy: 1.9809439455950548
Energy: 1.5206868358423298
Energy: 1.98094394559576
Energy: 1.996823275273563
Energy: 1.5928421157907453
Energy: 1.6875483237330455
Energy: 1.5928421157907453

minimum gb energy = 1.3773668680840732 eV
minimum distance =  2.27165830345847 Angstroms
sigma value = 73


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

Energy: 1.8976491002162217
Energy: 2.0689007614886235
Energy: 1.6286391865385945
Energy: 1.5493965371428382
Energy: 2.015558598328372
Energy: 2.1201018723930853
Energy: 1.7761414196376528
Energy: 2.120101872394204
Energy: 1.4306963236471029
Energy: 1.3872417997006672
Energy: 1.6624255678772928
Energy: 1.3872417997006672
Energy: 1.4285773918483318
Energy: 1.3864418362440771
Energy: 1.809077042856517
Energy: 1.3864418362429582
Energy: 1.3870460679319154
Energy: 1.38609304776614
Energy: 1.7428141040509162
Energy: 1.3860930477650213
Energy: 1.5669052490678304
Energy: 1.7056488582413096
Energy: 1.7442404154882736
Energy: 1.705648858240191
Energy: 1.8923781004325022
Energy: 1.4434340877662302
Energy: 1.6933471256579744
Energy: 1.4434340877662302
Energy: 1.7905453818077843
Energy: 1.443982194283375
Energy: 1.4510921759333644
Energy: 1.4439821942822562
Energy: 1.550950019045029
Energy: 1.9255680619860325
Energy: 1.5945228370072575
Energy: 1.9255680619871511
Energy: 1.425551314018513
Energy: 1.5377524474872941
Energy: 1.5099510059128902
Energy: 1.5377524474861755
Energy: 1.45190691560958
Energy: 1.4433706563849908
Energy: 2.0014743461194366
Energy: 1.4433706563827533
Energy: 1.594284162651851
Energy: 1.565821673532775
Energy: 1.9017798519059712
Energy: 1.565821673533894
Energy: 1.556187245986873
Energy: 1.7409367267793228
Energy: 1.6628225731377728
Energy: 1.7409367267793228
Energy: 1.598404228056986
Energy: 1.3864236328010742
Energy: 1.391261295288767
Energy: 1.3864236328021928
Energy: 1.808239329598161
Energy: 1.4495917292785712
Energy: 1.4886259207339911
Energy: 1.4495917292785712
Energy: 1.74485303314992
Energy: 1.388444472605452
Energy: 1.3873417707138707
Energy: 1.388444472605452
Energy: 1.599386114938898
Energy: 1.7359287623772317
Energy: 1.669765589318606
Energy: 1.7359287623739008
Energy: 1.6778207636129001
Energy: 1.8989965941325915
Energy: 2.356119811330378
Energy: 1.8989965941325915
Energy: 1.4692953503599204
Energy: 1.820185033686485
Energy: 1.793208516220873
Energy: 1.8201850336876038
Energy: 1.6680922000559826
Energy: 1.7810271951666212
Energy: 1.5583017796954413
Energy: 1.7810271951655023
Energy: 1.7414466769013905
Energy: 1.8121198281287914
Energy: 1.427056927808971
Energy: 1.8121198281287914
Energy: 1.7626743416123878
Energy: 1.4437428403684167
Energy: 1.4416959861552112
Energy: 1.4437428403684167

minimum gb energy = 1.3860930477650213 eV
minimum distance =  2.28295397366918 Angstroms
sigma value = 7


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

Energy: 2.464275178123284
Energy: 1.6245805782064462
Energy: 1.7003569759114578
Energy: 1.6843925793214567
Energy: 1.7452170545423435
Energy: 2.0439726589520477
Energy: 1.6692025360229414
Energy: 2.0439726589520477
Energy: 1.538055721236546
Energy: 1.7591593845408582
Energy: 1.6435439189573156
Energy: 1.7591593845400673
Energy: 1.4706178930678504
Energy: 1.4385110284819889
Energy: 1.8986651395705199
Energy: 1.4385110284827798
Energy: 1.3880190406894435
Energy: 1.3839350382591251
Energy: 1.715753214847433
Energy: 1.3839350382591251
Energy: 1.7332634543557615
Energy: 1.686991132234294
Energy: 1.7172647436518012
Energy: 1.6869911322319209
Energy: 1.8568687915093904
Energy: 1.380933471149457
Energy: 1.8667499996280967
Energy: 1.380933471149457
Energy: 1.7894559184439418
Energy: 1.3782503337493612
Energy: 1.4227484252894287
Energy: 1.3782503337501522
Energy: 1.6452556977093151
Energy: 1.934599939089838
Energy: 1.4404922546661416
Energy: 1.934599939089838
Energy: 1.8122794575894694
Energy: 2.0584208027320305
Energy: 1.5470394827956662
Energy: 2.0584208027320305
Energy: 1.6377331598721268
Energy: 1.4492653031058234
Energy: 1.8475484915393066
Energy: 1.4492653031050324
Energy: 1.6255758890172443
Energy: 1.4504030260688394
Energy: 1.9034368181242542
Energy: 1.4504030260656748
Energy: 1.5431582465948137
Energy: 1.6745162040377948
Energy: 1.5062103202483417
Energy: 1.6745162040377948
Energy: 1.6279586626961453
Energy: 1.9490958519638022
Energy: 1.4812546181084478
Energy: 1.9490958519638022
Energy: 1.6422291007148795
Energy: 1.761048186374827
Energy: 1.5115785565734472
Energy: 1.761048186374827
Energy: 1.9762989499586205
Energy: 1.4526772656150753
Energy: 1.6773070205107656
Energy: 1.4526772656150753
Energy: 1.8923361295258763
Energy: 1.506986203476563
Energy: 1.6653118276527041
Energy: 1.506986203476563
Energy: 1.5365805619275577
Energy: 1.4382093313305073
Energy: 1.641305745052652
Energy: 1.4382093313297162
Energy: 1.4351354748578047
Energy: 1.6785788441660854
Energy: 1.669402962632072
Energy: 1.6785788441645033
Energy: 1.3822319599707538
Energy: 1.379235134752023
Energy: 1.800245953000624
Energy: 1.379235134738575
Energy: 1.6245266638261917
Energy: 1.7004546723554843
Energy: 1.7140092791708865
Energy: 1.7004546723570664
Energy: 1.8108625882515874
Energy: 1.677796048783736
Energy: 1.7653906019381134
Energy: 1.6777960487758252
Energy: 1.8528896149820455
Energy: 1.3796807074084467
Energy: 1.3879491747923198
Energy: 1.3796807074076558
Energy: 1.7534550710417673
Energy: 1.440045663508088
Energy: 1.4432706117174687
Energy: 1.440045663508088
Energy: 1.71741034633886
Energy: 1.7701874622998148
Energy: 1.5672190585049945
Energy: 1.7701874622990237
Energy: 1.5985870185362654
Energy: 1.8195052908015572
Energy: 1.5523664285021546
Energy: 1.8195052908031033
Energy: 1.7103908471623483
Energy: 1.6850341364871917
Energy: 2.1345427969182453
Energy: 1.6850341364856092
Energy: 1.4654499334542126
Energy: 1.4606801429962444
Energy: 1.462196634317393
Energy: 1.4606801429835874
Energy: 1.602000574810892
Energy: 2.027434844015237
Energy: 1.5469055734417085
Energy: 2.027434844014446
Energy: 1.6402230073998199
Energy: 1.7684532134406248
Energy: 1.4807604346866978
Energy: 1.7684532129258894
Energy: 1.9749851710545157
Energy: 1.446921704895724
Energy: 1.4557014530207468
Energy: 1.446921704895724

minimum gb energy = 1.3782503337493612 eV
minimum distance =  2.27483203370852 Angstroms
sigma value = 29


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

Energy: 1.4415523800419499
Energy: 1.9808550573361965
Energy: 1.561012481896076
Energy: 1.834383795767277
Energy: 1.3669893354002844
Energy: 1.6497167369997563
Energy: 1.2831782078337335
Energy: 1.649716737000583
Energy: 1.4365723982096001
Energy: 1.6508609482240462
Energy: 1.3558662237998527
Energy: 1.6508609482245669
Energy: 1.357690996317892
Energy: 1.6498969612818508
Energy: 1.296043513683052
Energy: 1.6498969612837493
Energy: 1.3560383213787555
Energy: 1.6511572127537892
Energy: 1.442750475125637
Energy: 1.6511572127529932
Energy: 1.2968165783617296
Energy: 1.3638733394622393
Energy: 1.4424865239373486
Energy: 1.3638733394619638
Energy: 1.3580556823203964
Energy: 1.6503606498830545
Energy: 1.4406430613204797
Energy: 1.6503606498828098
Energy: 1.2828723020246882
Energy: 1.649223048198102
Energy: 1.251917780183339
Energy: 1.6492230481986534
Energy: 1.3670754411237547
Energy: 1.983715600511601
Energy: 1.3516690847683803
Energy: 1.9837156005121521

minimum gb energy = 1.251917780183339 eV
minimum distance =  2.31872724837243 Angstroms
sigma value = 5


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

Energy: 2.094625226019137
Energy: 1.967729845877444
Energy: 1.5536614701809708
Energy: 1.9140552487306748
Energy: 1.686078569942413
Energy: 1.6457317798543056
Energy: 1.5735433850236058
Energy: 1.6457317798856905
Energy: 1.6074868008306382
Energy: 1.7919971168735696
Energy: 1.675548797838166
Energy: 1.7919971168728221
Energy: 1.539573662581774
Energy: 1.71237169391671
Energy: 1.7462089080490448
Energy: 1.7123716939196991
Energy: 1.5838042600194921
Energy: 1.3148195105828102
Energy: 2.1967993296602284
Energy: 1.3148195105828102
Energy: 1.3485265651003162
Energy: 1.312729536145565
Energy: 2.1959580422011644
Energy: 1.312729536145565
Energy: 1.38170182686411
Energy: 1.3718334911701071
Energy: 1.900965579432226
Energy: 1.3718334911633816
Energy: 1.380805116819798
Energy: 1.70366728709686
Energy: 2.043144495114986
Energy: 1.70366728355416
Energy: 1.8222027143727695
Energy: 1.9181820020051403
Energy: 1.8471372844444678
Energy: 1.9181820020081293
Energy: 1.8087521829013007
Energy: 2.063331494951209
Energy: 1.32903762533647
Energy: 2.0633314949504618
Energy: 1.7572425562654892
Energy: 1.3322191436058661
Energy: 1.3427234870773828
Energy: 1.3322191436170752
Energy: 1.9132089060206552
Energy: 1.3128978004779481
Energy: 1.3267099643728237
Energy: 1.3128978004032896
Energy: 2.0311265940620578
Energy: 1.8710872879662874
Energy: 1.6615737669517086
Energy: 1.8710872879677816
Energy: 1.7202790637550542
Energy: 1.9710642168619497
Energy: 1.7966791767949586
Energy: 1.9710642168619497
Energy: 1.4466563681026097
Energy: 1.5141345432691706
Energy: 1.7317904307905863
Energy: 1.5141345432392803
Energy: 1.4281926077058604
Energy: 1.4816574215321126
Energy: 1.688109204995933
Energy: 1.4816574215433216
Energy: 1.449755946621622
Energy: 2.0548971011725152
Energy: 2.5228109198164774
Energy: 2.0548971011725152
Energy: 1.66097839008656
Energy: 1.7212979165794868
Energy: 1.6861010056475652
Energy: 1.7212979165794868
Energy: 1.7759936277700792
Energy: 1.859906599670199
Energy: 1.4867333197870802
Energy: 1.8599065996679571
Energy: 1.7016753316698556
Energy: 1.6121175852276501
Energy: 1.5436215205410329
Energy: 1.6121175852269027
Energy: 2.1491309126532148
Energy: 1.5319861539826813
Energy: 1.4322037086252541
Energy: 1.5319861539819344
Energy: 2.223319971969795
Energy: 1.3239983671274842
Energy: 1.3693234492825663
Energy: 1.3239983671289788
Energy: 1.8581638318916807
Energy: 1.3757800912453508
Energy: 1.3980171907378725
Energy: 1.3757800912483398
Energy: 1.9613569428139683
Energy: 2.0343210939377134
Energy: 1.3844643123029883
Energy: 2.0343210939377134
Energy: 1.8445203776024315
Energy: 1.9387658752411547
Energy: 1.8618201556590601
Energy: 1.9387658752404076
Energy: 1.3187822158140632
Energy: 2.045799461393299
Energy: 1.8085121582764032
Energy: 2.0457994613940462
Energy: 1.3526661967826967
Energy: 1.314039699857424
Energy: 1.84759088757864
Energy: 1.3140396998559294
Energy: 1.3143150523082532
Energy: 1.2976364791113923
Energy: 1.7605615903331517
Energy: 1.2976364791076562
Energy: 1.685289199906871
Energy: 1.659363476463681
Energy: 2.0444259873389288
Energy: 1.6593634764651757
Energy: 1.7285594277247776
Energy: 1.9967040932629092
Energy: 1.6384516715793862
Energy: 1.9967040932636566
Energy: 1.8010051327501249
Energy: 1.3781772403322898
Energy: 1.365509751390818
Energy: 1.378177240577324
Energy: 1.8241508141575327
Energy: 1.3730717075124688
Energy: 1.3880234906515174
Energy: 1.3730717075139633
Energy: 2.208434285965215
Energy: 1.31954510655162
Energy: 1.3358947875115765
Energy: 1.3195451065531143

minimum gb energy = 1.2976364791076562 eV
minimum distance =  2.28217671171813 Angstroms
sigma value = 1


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

Energy: 2.075208868429558
Energy: 2.1127047805423227
Energy: 1.5021355542713708
Energy: 1.9326118142396707
Energy: 1.62912212357218
Energy: 1.655127827398427
Energy: 1.5719946739229977
Energy: 1.65512782739946
Energy: 1.5767243061060339
Energy: 1.7474966142841466
Energy: 1.6975872413121817
Energy: 1.7474966142862132
Energy: 1.3315480276334595
Energy: 1.9288990268800996
Energy: 1.7875489598313967
Energy: 1.9288990268800996
Energy: 1.6190808614723995
Energy: 1.2683500552197595
Energy: 2.193749190042763
Energy: 1.2683500552187261
Energy: 1.3086550181896017
Energy: 1.268957983525515
Energy: 2.193208884834571
Energy: 1.2689579835265483
Energy: 1.2884222116689363
Energy: 1.2880308723746248
Energy: 1.7601640785560868
Energy: 1.2880308723766913
Energy: 1.2849619832997543
Energy: 1.2939292052706988
Energy: 2.053009901211019
Energy: 1.293929201932856
Energy: 1.7508099697126382
Energy: 1.6661548152602434
Energy: 1.8516709294190397
Energy: 1.6661548152612766
Energy: 1.706592609045239
Energy: 2.065725756479703
Energy: 1.2883822584744271
Energy: 2.065725756479703
Energy: 1.7125130696727422
Energy: 1.3087086369411662
Energy: 1.2863581118876117
Energy: 1.3087086369411662
Energy: 1.969111323776617
Energy: 1.2714754352822721
Energy: 1.2700609109531165
Energy: 1.2714754352822721
Energy: 2.047272795572858
Energy: 1.6510295508044284
Energy: 1.5285162586228191
Energy: 1.6510295508054613
Energy: 1.7378413021799743
Energy: 1.6873957610544987
Energy: 1.6108703038588925
Energy: 1.6873957610544987
Energy: 1.335673510219206
Energy: 1.4406490083839278
Energy: 1.6089236250311927
Energy: 1.4406490083828947
Energy: 1.3186268322979775
Energy: 1.740066939451878
Energy: 1.7624655561218656
Energy: 1.7400669394498114
Energy: 1.5939595652886231
Energy: 1.6114114653218319
Energy: 2.287754688768537
Energy: 1.611411465322865
Energy: 1.2807742941993046
Energy: 1.2673576309446979
Energy: 1.7601338084204008
Energy: 1.2673576309436647
Energy: 1.2880237456762245
Energy: 1.2871608088298174
Energy: 1.8510154938933654
Energy: 1.287160808828784
Energy: 1.317402067986487
Energy: 1.9666161914215106
Energy: 2.052705618111002
Energy: 1.966616191423577
Energy: 1.6050816994436952
Energy: 1.6987284048393967
Energy: 1.7113255986394238
Energy: 1.698728404841463
Energy: 1.6930666223247122
Energy: 1.2910853207492554
Energy: 1.2840670262886227
Energy: 1.2910853207492554
Energy: 1.7110612297381453
Energy: 1.2965441600763046
Energy: 1.3120755135795488
Energy: 1.2965441600763046
Energy: 2.047415257270879
Energy: 1.2706911980015745
Energy: 1.2681902277879404
Energy: 1.2706911980026074

minimum gb energy = 1.2673576309436647 eV
minimum distance =  2.28194796002545 Angstroms
sigma value = 17


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

Energy: 2.2147690650411227
Energy: 1.9835409301204026
Energy: 1.5246806985619448
Energy: 1.8753953301049524
Energy: 1.7804634518631126
Energy: 1.5146205293509645
Energy: 1.459477323373767
Energy: 1.5146205295520099
Energy: 1.6648257525147898
Energy: 1.6365975667352588
Energy: 1.5232377210809642
Energy: 1.6365975667384518
Energy: 1.737215339858251
Energy: 2.0015590194781416
Energy: 1.624829671279189
Energy: 2.0015590194781416
Energy: 1.8644966424607452
Energy: 1.8410864102064246
Energy: 1.8697594511750513
Energy: 1.8410864102083402
Energy: 1.2773247405533075
Energy: 1.2544426325906066
Energy: 2.1382870145074584
Energy: 1.2544426325912452
Energy: 1.2763725769826173
Energy: 1.2711319473778722
Energy: 1.7743351620733658
Energy: 1.271131946414619
Energy: 1.2607640166405734
Energy: 1.2577620652630408
Energy: 2.1832508290041477
Energy: 1.2577620652700654
Energy: 1.7445836364403733
Energy: 1.49247114217448
Energy: 1.7843342268181428
Energy: 1.4924711421738412
Energy: 1.5266049785513738
Energy: 2.076955333728868
Energy: 1.476899553378922
Energy: 2.076955333730145
Energy: 1.7906406479717576
Energy: 1.592142157117675
Energy: 1.3001668480476214
Energy: 1.5921421571361947
Energy: 2.211001676173581
Energy: 1.2684227178740806
Energy: 1.4516188475925107
Energy: 1.2684227178281007
Energy: 2.3346481337169793
Energy: 1.2678138065218807
Energy: 1.287535361831959
Energy: 1.267813806523796
Energy: 1.9235485500671297
Energy: 1.2747183830046978
Energy: 1.2901789309383944
Energy: 1.2747183823306183
Energy: 1.7443229522658152
Energy: 1.2821302954507103
Energy: 1.2950753127974681
Energy: 1.2821302973031385
Energy: 1.9772503943772104
Energy: 1.9842079936511567
Energy: 1.8499209180046903
Energy: 1.9842079936511567
Energy: 1.3094146170558145
Energy: 2.1186133556427156
Energy: 1.9945927106327253
Energy: 2.1186133556427156
Energy: 1.2715053517520736
Energy: 1.2859936237691385
Energy: 1.8676100827018474
Energy: 1.285993623774886
Energy: 1.2898974353494377
Energy: 1.2670637476314552
Energy: 2.0446329977084763
Energy: 1.267063747630178
Energy: 1.4658682550334623
Energy: 1.5245974889037928
Energy: 2.2152023665835916
Energy: 1.5245974888999614
Energy: 1.4581337413912407
Energy: 1.5227534993025897
Energy: 1.8355014443516573
Energy: 1.5227534993102532
Energy: 1.4861659118097936
Energy: 1.636544134826748
Energy: 1.6650608802519908
Energy: 1.6365441348261096
Energy: 1.6658935572953146
Energy: 1.9140404328497809
Energy: 1.6676047629703752
Energy: 1.9140404328491423
Energy: 1.9577336635216622
Energy: 1.8493655100080126
Energy: 1.8642065297527766
Energy: 1.8493655100099287
Energy: 2.0431907033990226
Energy: 1.2446821102556425
Energy: 1.2733741109077548
Energy: 1.2446821102575585
Energy: 1.7769797717592761
Energy: 1.2813037463402295
Energy: 1.2780320533518486
Energy: 1.2813037463306503
Energy: 2.2292911379050357
Energy: 1.6302782006425314
Energy: 1.274109736255301
Energy: 1.6302782006987289
Energy: 1.7783376811963143
Energy: 1.623734232253367
Energy: 1.774089013433557
Energy: 1.6237342322821045
Energy: 1.4736424900861411
Energy: 2.0516250423781273
Energy: 1.5209292950620328
Energy: 2.051625042379405
Energy: 1.3019854814727612
Energy: 1.7813366887167532
Energy: 1.7930432664603908
Energy: 1.7813366887173918
Energy: 1.4557565633866696
Energy: 1.275904375214795
Energy: 2.213121355530319
Energy: 1.2759043752339534
Energy: 1.2819190614419762
Energy: 1.2669477537358897
Energy: 2.280119164922579
Energy: 1.2669477537339742
Energy: 1.2876226716985517
Energy: 1.2902178386184806
Energy: 1.9219226558697686
Energy: 1.2902178385865504
Energy: 1.3026928105519777
Energy: 2.013035492815044
Energy: 1.7430940379017825
Energy: 2.0130354928156824
Energy: 1.8535541665678756
Energy: 1.6415032879667597
Energy: 1.9328386807065423
Energy: 1.6415032879757006
Energy: 1.9947604011092273
Energy: 1.7274446204029155
Energy: 1.304787686577906
Energy: 1.727444620934644
Energy: 1.8659810580490035
Energy: 1.3064237243792334
Energy: 1.2928163029847481
Energy: 1.3064237244111638
Energy: 2.048066519382481
Energy: 1.263482464761106
Energy: 1.2935602176084189
Energy: 1.2634824647636602

minimum gb energy = 1.2446821102556425 eV
minimum distance =  2.27074896201968 Angstroms
sigma value = 89


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

Energy: 2.3914712170041565
Energy: 2.1014888155924627
Energy: 1.43950677972882
Energy: 1.9024272085928813
Energy: 1.9391035602118456
Energy: 1.650194620142021
Energy: 1.5607931698030497
Energy: 1.6501946201436921
Energy: 1.1907480842379559
Energy: 1.6342415099971475
Energy: 1.74956885739769
Energy: 1.6342415099971475
Energy: 1.1633081530231717
Energy: 1.6826987796947939
Energy: 1.5624683970816098
Energy: 1.6826987796947939
Energy: 1.6152419000701987
Energy: 1.668284404710552
Energy: 1.7379133724837454
Energy: 1.6682844047122232
Energy: 1.1811993764043542
Energy: 1.1921685497177354
Energy: 1.7387212489988926
Energy: 1.1921685497194063
Energy: 1.1715273749790884
Energy: 1.1799393226235364
Energy: 1.9400625940591965
Energy: 1.1799393226218657
Energy: 1.1860514018392054
Energy: 1.6268631907193136
Energy: 2.3160492785047366
Energy: 1.6268631907193136
Energy: 1.5572190783913726
Energy: 1.6331251278285956
Energy: 1.9442808413357682
Energy: 1.6331251278285956
Energy: 1.740042840538769
Energy: 1.6190794097811392
Energy: 1.6401782816274617
Energy: 1.6190794097761263
Energy: 1.557592496407828
Energy: 1.6834788967658094
Energy: 1.1588538187205106
Energy: 1.6834788967658094
Energy: 1.7399814708906467
Energy: 1.7020012432229306
Energy: 1.6148526410085813
Energy: 1.7020012432229306
Energy: 1.7243669885656014
Energy: 1.1817760978551397
Energy: 1.177220040997722
Energy: 1.1817760978551397
Energy: 1.9384550409786616
Energy: 1.16670560656147
Energy: 1.1757372123371137
Energy: 1.16670560656147
Energy: 1.9376368456266957
Energy: 1.6238134468593517
Energy: 1.1936325091953328
Energy: 1.6238134468593517

minimum gb energy = 1.1588538187205106 eV
minimum distance =  2.2065079339033 Angstroms
sigma value = 13


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

Energy: 2.078114943180509
Energy: 1.9026811260447847
Energy: 1.4027053231775615
Energy: 1.8116453142775286
Energy: 2.1079722443367763
Energy: 1.3357748516930357
Energy: 1.3105921221443182
Energy: 1.335774851691635
Energy: 1.8753362742891322
Energy: 1.3369535745796977
Energy: 1.3407206165678704
Energy: 1.3369535745775964
Energy: 1.5668494200500729
Energy: 1.91151565993641
Energy: 1.494455153005027
Energy: 1.9115156599357097
Energy: 1.7910411848640604
Energy: 1.9535409989583796
Energy: 1.7216289252079382
Energy: 1.9535409989583796
Energy: 1.3111454490858732
Energy: 1.382878734289967
Energy: 1.719152246406131
Energy: 1.3828787343361266
Energy: 1.3102876113890811
Energy: 1.3357640223612903
Energy: 2.1404862481326914
Energy: 1.335764022362691
Energy: 1.4150895723849324
Energy: 1.3977162187014482
Energy: 2.2564316012763728
Energy: 1.3977162187063508
Energy: 1.108829047415596
Energy: 1.1178124162220346
Energy: 2.135478589607355
Energy: 1.1178124162220346
Energy: 1.0959097752785951
Energy: 1.087782412377038
Energy: 2.122618380716953
Energy: 1.0877824123763378
Energy: 1.1294022326469884
Energy: 1.8029056293723125
Energy: 2.086727593641527
Energy: 1.8029056293695112
Energy: 1.6568349223616885
Energy: 1.5503508841994635
Energy: 2.153122117298806
Energy: 1.550350884204366
Energy: 1.7237676568061042
Energy: 1.7848019150689018
Energy: 1.658797711760635
Energy: 1.7848019150682015
Energy: 1.835974348657368
Energy: 1.752436823803938
Energy: 1.580648558024717
Energy: 1.7524368238046386
Energy: 2.1272479774173045
Energy: 1.6285907780478022
Energy: 1.6591569152456618
Energy: 1.6285907780478022
Energy: 2.0413001395447057
Energy: 1.104506855658596
Energy: 1.1071015502744392
Energy: 1.1045068556599966
Energy: 2.1314931022509533
Energy: 1.0902778434676021
Energy: 1.0950644898001505
Energy: 1.0902778434669018
Energy: 2.0624107859682614
Energy: 1.3957868628355503
Energy: 1.130008965119052
Energy: 1.3957868628362509
Energy: 2.2181623394175944
Energy: 1.382997074194262
Energy: 1.3152098482088952
Energy: 1.382997074199865
Energy: 2.0495980654952812
Energy: 1.334395886503128
Energy: 1.3315760801994978
Energy: 1.334395886569661
Energy: 1.5749973605619778
Energy: 2.0329049991626076
Energy: 1.3280178369192714
Energy: 2.032904999163308
Energy: 1.9819199909905907
Energy: 1.906743465267751
Energy: 1.7186232100379548
Energy: 1.9067434652663506
Energy: 1.3121038795751259
Energy: 1.5277197474698303
Energy: 1.8081809721939
Energy: 1.5277197474684294
Energy: 1.097446281432094
Energy: 1.3303060504528021
Energy: 1.9723645033037944
Energy: 1.3303060498304482
Energy: 1.3207820356234046
Energy: 1.3958193000066323
Energy: 2.1256173097095905
Energy: 1.3958193000094337
Energy: 1.1123264424144852
Energy: 1.1415941652803552
Energy: 2.0432017690043063
Energy: 1.141594165262146
Energy: 1.0861161498015817
Energy: 1.0864619774249107
Energy: 2.122143231284591
Energy: 1.0864619774256108
Energy: 1.1210110269166174
Energy: 1.3885757719627252
Energy: 2.038352730011189
Energy: 1.3885757719620249
Energy: 1.6525135263432027
Energy: 1.562434859209121
Energy: 2.1593084513333145
Energy: 1.5624348592084207
Energy: 1.3349161894733201
Energy: 1.7274389055462152
Energy: 1.6610746963270144
Energy: 1.7274389055469155
Energy: 1.7279209788104968
Energy: 1.8069368639050822
Energy: 1.592260472703137
Energy: 1.8069368639050822
Energy: 2.059379463382328
Energy: 1.8548159454433597
Energy: 1.6825712870766116
Energy: 1.8548159454454607
Energy: 2.1270965231440395
Energy: 1.1007006784704683
Energy: 1.1170088145085164
Energy: 1.1007006784648656
Energy: 2.129635605117231
Energy: 1.0912853243016705
Energy: 1.081270378276508
Energy: 1.0912853243002696
Energy: 2.312243569827886
Energy: 1.1216979595983352
Energy: 1.12661804807452
Energy: 1.121697959599736

minimum gb energy = 1.081270378276508 eV
minimum distance =  2.26683606903353 Angstroms
sigma value = 37


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

Energy: 1.8167127144125077
Energy: 2.0234740650689185
Energy: 1.30618780034362
Energy: 1.8170357548350315
Energy: 2.236930580497376
Energy: 1.372335118043285
Energy: 1.3453889354875623
Energy: 1.372335118043285
Energy: 1.6455032198408224
Energy: 1.3658066903057857
Energy: 1.3887536509250238
Energy: 1.3658066903069905
Energy: 1.8039174091156973
Energy: 1.7692242262069784
Energy: 1.346390198972714
Energy: 1.7692242262069784
Energy: 1.653470593903329
Energy: 1.7915203740754382
Energy: 1.3863296659864062
Energy: 1.7915203740754382
Energy: 1.32479546045511
Energy: 1.4209944253193019
Energy: 1.6131305393646846
Energy: 1.4209944253193019
Energy: 0.9887378151358417
Energy: 1.3645970157514975
Energy: 1.9312750616660612
Energy: 1.3645970157514975
Energy: 1.0726705317022853
Energy: 1.4443776707156486
Energy: 2.0284585456434185
Energy: 1.4443776707144436
Energy: 0.991250150190396
Energy: 1.0165121200979292
Energy: 1.9395367169508972
Energy: 1.0165121200979292
Energy: 1.0120840484872402
Energy: 0.9899055080361912
Energy: 2.2400701817091706
Energy: 0.9899055080361912
Energy: 1.3062322845507532
Energy: 1.8170357548350315
Energy: 1.8167127144125077
Energy: 2.023474065067713
Energy: 1.3453889354875623
Energy: 1.3723351180444898
Energy: 2.236930580497376
Energy: 1.37233511804208
Energy: 1.3887536509250238
Energy: 1.3658066903033759
Energy: 1.6455032198396173
Energy: 1.3658066903009658
Energy: 1.3463901989715092
Energy: 1.7692242262069784
Energy: 1.8039174091156973
Energy: 1.7692242262069784
Energy: 1.3863296659864062
Energy: 1.7915203740742334
Energy: 1.653470593903329
Energy: 1.7915203740754382
Energy: 1.6131305393646846
Energy: 1.4209944253193019
Energy: 1.3247954604539052
Energy: 1.420994425320507
Energy: 1.9312750616636514
Energy: 1.3645970157514975
Energy: 0.9887378151358417
Energy: 1.3645970157514975
Energy: 2.028458545633779
Energy: 1.4443776707144436
Energy: 1.0726705317034901
Energy: 1.4443776707144436
Energy: 1.939536716952102
Energy: 1.016512120099134
Energy: 0.991250150190396
Energy: 1.016512120099134
Energy: 2.2400701817091706
Energy: 0.9899055080361912
Energy: 1.0120840484872402
Energy: 0.9899055080349862

minimum gb energy = 0.9887378151358417 eV
minimum distance =  2.34120243222596 Angstroms
sigma value = 25


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

Energy: 2.168531310575897
Energy: 1.8564386236572816
Energy: 1.211808160032586
Energy: 1.6972206867701107
Energy: 2.38243409195904
Energy: 1.1789349517546417
Energy: 1.1788940486449275
Energy: 1.1789349517537009
Energy: 1.905835459767928
Energy: 1.1712838000687626
Energy: 1.1742542759574188
Energy: 1.1712838000537085
Energy: 1.4884211925985427
Energy: 1.614872697998255
Energy: 1.2111756696639238
Energy: 1.614872697999196
Energy: 1.9411390828627753
Energy: 1.5589436913225767
Energy: 1.6743298023258042
Energy: 1.5589436913225767
Energy: 1.4588003955269973
Energy: 1.6226430399980065
Energy: 1.6671733949850476
Energy: 1.6226430399980065
Energy: 1.4761094551739506
Energy: 1.5743009854613923
Energy: 1.9404953552555355
Energy: 1.574300985460451
Energy: 1.1529959600839943
Energy: 1.615188021335009
Energy: 1.7729081859451408
Energy: 1.61518802133595
Energy: 1.147338721404536
Energy: 1.2515997393388636
Energy: 2.1815258936717585
Energy: 1.2515997393388636
Energy: 1.152535030092727
Energy: 1.1717405220699666
Energy: 2.3856106581851204
Energy: 1.1717405220671437
Energy: 1.2417331996120844
Energy: 1.6971356709093093
Energy: 1.8331783913007706
Energy: 1.697135670908368
Energy: 0.8677570593380244
Energy: 0.8652126883878353
Energy: 2.374034858663627
Energy: 0.8652126883878353
Energy: 0.9031739241282654
Energy: 0.8673498869215029
Energy: 2.3892751224165165
Energy: 0.8673498869215029
Energy: 0.9404722528833265
Energy: 1.2715373644990755
Energy: 2.069818914254657
Energy: 1.2715373645009576
Energy: 1.1721968159065148
Energy: 1.169910479093167
Energy: 2.1474143644809613
Energy: 1.169910479091285
Energy: 1.1797700587974562
Energy: 1.262718083519695
Energy: 1.9099928553896133
Energy: 1.262718083519695
Energy: 1.7400318872109417
Energy: 1.6343324536776223
Energy: 1.9187747057429791
Energy: 1.6343324536766815
Energy: 1.1831115766931077
Energy: 1.6210502727854272
Energy: 1.6708427540558364
Energy: 1.6210502727854272
Energy: 1.665436459187789
Energy: 1.55260092659084
Energy: 1.4778028962533114
Energy: 1.5526009265889584
Energy: 2.177113528747678
Energy: 1.5942368304748624
Energy: 1.4539681836575942
Energy: 1.5942368304758032
Energy: 1.834465886128222
Energy: 1.8318866694192586
Energy: 1.1623550966521023
Energy: 1.8318866694192586
Energy: 2.1457922858093976
Energy: 1.2523757653572885
Energy: 0.865200999308034
Energy: 1.2523757653563474
Energy: 2.133046736476041
Energy: 1.2532959837994353
Energy: 1.151343594245578
Energy: 1.2532959837984943
Energy: 1.796533908249956
Energy: 1.2360402515818767
Energy: 0.9339258463235156
Energy: 1.2360402514981803
Energy: 2.3689439701212263
Energy: 0.8604336343680686
Energy: 0.8640288617372054
Energy: 0.8604336343680686
Energy: 1.9899645145541163
Energy: 0.8670767672375679
Energy: 0.9093846814497977
Energy: 0.8670767672375679

minimum gb energy = 0.8604336343680686 eV
minimum distance =  2.34235745038875 Angstroms
sigma value = 41


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

Energy: 2.4169140481906206
Energy: 1.7446431434853176
Energy: 1.1406315026623208
Energy: 1.6097017778190486
Energy: 2.465141675542639
Energy: 1.0511144848552885
Energy: 1.0290517618224504
Energy: 1.0511144848529743
Energy: 2.0928863040714987
Energy: 1.1229070154145335
Energy: 1.0272561369515785
Energy: 1.1229070154137972
Energy: 1.753038762539126
Energy: 1.4455490840556517
Energy: 1.0266999431890205
Energy: 1.4455490840548806
Energy: 2.1203997072426866
Energy: 1.3796418211029744
Energy: 1.454987340701004
Energy: 1.379641821102203
Energy: 1.6574561637967027
Energy: 1.472832910933625
Energy: 1.454024032272603
Energy: 1.4728329109343965
Energy: 1.7072950853765751
Energy: 1.486268376117552
Energy: 1.9226308458340888
Energy: 1.4862683761167808
Energy: 1.4729553956167678
Energy: 1.4722413813382913
Energy: 1.5126600839825446
Energy: 1.4722413813367485
Energy: 1.2724497348272235
Energy: 1.461082587383927
Energy: 1.8643617173179363
Energy: 1.461082587383927
Energy: 1.2636706005807912
Energy: 1.3966435072685355
Energy: 2.290027953095284
Energy: 1.3966435072693069
Energy: 1.042127689431168
Energy: 1.7322264340831866
Energy: 2.140175487235322
Energy: 1.7322264340855007
Energy: 1.0222186268720446
Energy: 1.113543463467304
Energy: 2.2888211106312317
Energy: 1.113543463469618
Energy: 1.0286486202676839
Energy: 1.106990278879189
Energy: 2.286787304174652
Energy: 1.1069902788753319
Energy: 0.8173727778119203
Energy: 1.099604923328213
Energy: 1.9920055093355893
Energy: 1.0996049232997072
Energy: 0.7787631593210452
Energy: 0.7691086664771736
Energy: 2.4632757799731344
Energy: 0.7691086664771736
Energy: 0.8287199450123005
Energy: 0.7804831341277125
Energy: 2.0701593587864906
Energy: 0.7804831341277125
Energy: 1.0614598570416003
Energy: 1.1124284322221973
Energy: 2.150771206210998
Energy: 1.1124284322221973
Energy: 1.0184550823474732
Energy: 1.0276887292531391
Energy: 2.264550222014918
Energy: 1.0276887292662524
Energy: 1.0372693097516748
Energy: 1.428740689014225
Energy: 1.705470436611182
Energy: 1.4287406890157675
Energy: 1.457895638468524
Energy: 1.4476333958977003
Energy: 1.7048850606711365
Energy: 1.4476333958969287
Energy: 1.577772612018267
Energy: 1.4509407860074075
Energy: 1.8890815259902185
Energy: 1.4509407860066366
Energy: 1.4607027588540107
Energy: 1.4706994930316735
Energy: 1.7523080986837518
Energy: 1.4706994930316735
Energy: 1.917136932316875
Energy: 1.4635076205529065
Energy: 1.65643937075465
Energy: 1.463507620552135
Energy: 1.511069556697896
Energy: 1.461729860321122
Energy: 1.4773215143263652
Energy: 1.461729860321122
Energy: 1.8639191740758603
Energy: 1.3735576350811636
Energy: 1.2908654697865605
Energy: 1.373557635080392
Energy: 1.8644385549410207
Energy: 1.4620055421295803
Energy: 1.486986566892681
Energy: 1.4620055421311233
Energy: 1.912835969575748
Energy: 1.4396361373149091
Energy: 1.0293732138296812
Energy: 1.4396361373172233
Energy: 2.2878414389786514
Energy: 1.142131929417661
Energy: 1.0409323864613738
Energy: 1.1421319294192036
Energy: 1.9430458819512697
Energy: 1.1123213578370985
Energy: 1.0361510067735447
Energy: 1.1123213578394129
Energy: 1.9109933179833432
Energy: 0.7822444437930162
Energy: 0.7913860620282412
Energy: 0.7822444437937873
Energy: 2.4628138960986465
Energy: 0.773444442432265
Energy: 0.7776770702223319
Energy: 0.773444442432265
Energy: 2.155547210174978
Energy: 1.0971185635305065
Energy: 0.8092153210241835
Energy: 1.097118563539763

minimum gb energy = 0.7691086664771736 eV
minimum distance =  2.25819407227838 Angstroms
sigma value = 15


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

Energy: 2.0573411119242535
Energy: 1.657930689100899
Energy: 1.083835804407117
Energy: 1.5441130939243448
Energy: 2.516603212966991
Energy: 0.9271400133837882
Energy: 0.9201326475354602
Energy: 0.9271400136019254
Energy: 2.219468364162869
Energy: 1.011293830949057
Energy: 0.9192942727346053
Energy: 1.01129383094775
Energy: 1.9356015338497135
Energy: 1.2935440740465403
Energy: 0.9141995378319621
Energy: 1.293544074047847
Energy: 2.218852036686224
Energy: 1.2369437055585497
Energy: 1.295138569287631
Energy: 1.2369437055546288
Energy: 1.8232982654074645
Energy: 1.335987858150235
Energy: 1.2996981436097745
Energy: 1.3359878581508884
Energy: 1.5283253979126046
Energy: 1.357251861393848
Energy: 1.7110669448947042
Energy: 1.3572518613931945
Energy: 1.6616019327337779
Energy: 1.3371322252533946
Energy: 1.3267463174727385
Energy: 1.3371322252520874
Energy: 1.4957741403668683
Energy: 1.3371964066649407
Energy: 1.6456700805569286
Energy: 1.3371964066649407
Energy: 1.4994851249037884
Energy: 1.3379830583647225
Energy: 2.0469042169722402
Energy: 1.3379830583640693
Energy: 1.3191398656855924
Energy: 1.5962383912510802
Energy: 1.8246261926809495
Energy: 1.5962383912484666
Energy: 1.1230529599898074
Energy: 1.2493341268609375
Energy: 2.0472888010167405
Energy: 1.2493341268635514
Energy: 1.292950732333906
Energy: 1.265509516920774
Energy: 2.0239369399401195
Energy: 1.2655095169214277
Energy: 0.9364513971485958
Energy: 1.284214632253739
Energy: 1.7333700950019164
Energy: 1.2842146322511254
Energy: 0.9184093343539678
Energy: 0.9364970472480765
Energy: 2.3630039631242994
Energy: 0.9364970534002971
Energy: 0.9224451442005109
Energy: 0.9956179909565832
Energy: 2.002496849711157
Energy: 0.9956179909611573
Energy: 0.7150325969527568
Energy: 0.7109311962978929
Energy: 2.0605490152216532
Energy: 0.7109311963011602
Energy: 0.6986407163318923
Energy: 0.7052171905559371
Energy: 2.5103808524656164
Energy: 0.7052171905552835
Energy: 0.7545739927905152
Energy: 0.7017674643664835
Energy: 1.8814029956819622
Energy: 0.7017674643697509
Energy: 0.952705265498076
Energy: 0.9974414144726641
Energy: 2.185201999131184
Energy: 0.9974414144674364
Energy: 0.9258729173242386
Energy: 0.9560919799961055
Energy: 2.4083679858885865
Energy: 0.9560919799934915
Energy: 0.932351990932883
Energy: 1.28835563984265
Energy: 1.933918661378154
Energy: 1.2883556398387292
Energy: 1.2937033719320612
Energy: 1.2970750518400505
Energy: 1.8208049123678862
Energy: 1.2970750518420109
Energy: 1.326033042420411
Energy: 1.30341593103194
Energy: 2.019988268216475
Energy: 1.3034159310312865
Energy: 1.3041589507932312
Energy: 1.59965662838489
Energy: 1.5766952677459085
Energy: 1.599656628386197
Energy: 1.6459275189252653
Energy: 1.3377020807530773
Energy: 2.045411481806051
Energy: 1.3377020807530773
Energy: 1.3273505950188147
Energy: 1.326805568280938
Energy: 1.6708941017544714
Energy: 1.326805568280938
Energy: 1.659266116387101
Energy: 1.3388195938683936
Energy: 1.5326893658183076
Energy: 1.3388195938677403
Energy: 1.6964062634995718
Energy: 1.339377830039854
Energy: 1.6781191204044301
Energy: 1.339377830039854
Energy: 1.6772353583713802
Energy: 1.3307106684840095
Energy: 1.3028506048228259
Energy: 1.3307106684840095
Energy: 2.010164137259914
Energy: 1.258972337576318
Energy: 1.1228511527465752
Energy: 1.258972337576318
Energy: 1.7320629287849996
Energy: 1.3014722148663453
Energy: 1.3286348414264169
Energy: 1.3014722148643847
Energy: 1.9995939573141441
Energy: 1.0124362216452154
Energy: 0.9154871792592848
Energy: 1.0124362216465224
Energy: 2.3731889028095967
Energy: 0.9347104427028653
Energy: 0.9152681748018627
Energy: 0.9347104427074395
Energy: 2.136869772541524
Energy: 1.544683052820402
Energy: 1.0855154732195593
Energy: 1.544683052819095
Energy: 2.366317108374894
Energy: 0.7027759715518951
Energy: 0.7065111672749533
Energy: 0.7027759715518951
Energy: 2.196125811598154
Energy: 0.6992337029322452
Energy: 0.7046884978863018
Energy: 0.6992337029322452

minimum gb energy = 0.6986407163318923 eV
minimum distance =  2.32148174149035 Angstroms
sigma value = 85


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

Energy: 2.207694122082091
Energy: 1.5507228623153697
Energy: 1.000990975334092
Energy: 1.4454913404270042
Energy: 2.6123101232502584
Energy: 0.8282573834437797
Energy: 0.8180004090167892
Energy: 0.8282573834437797
Energy: 1.9303456897521398
Energy: 0.90824586223532
Energy: 0.8163863236090358
Energy: 0.9082458622341865
Energy: 1.696794010898771
Energy: 0.9078605137339899
Energy: 0.8111498480684324
Energy: 0.9078605137345567
Energy: 2.2933529483681543
Energy: 1.1023646539600653
Energy: 1.1745247323956058
Energy: 1.1023646539594985
Energy: 1.6540284477803657
Energy: 1.196425312788043
Energy: 1.174194922550956
Energy: 1.1964253127863431
Energy: 1.6562095980427354
Energy: 1.2193389711347489
Energy: 1.5073866657231392
Energy: 1.2193389711353158
Energy: 1.8092952643193214
Energy: 1.1997102438394576
Energy: 1.1707704742536262
Energy: 1.1997102438394576
Energy: 1.6147282547084536
Energy: 1.2188411622638105
Energy: 1.462937927927953
Energy: 1.2188411622638105
Energy: 1.6170957013782583
Energy: 1.2235098555168973
Energy: 1.8202666376219454
Energy: 1.223509855518031
Energy: 1.4603525045919903
Energy: 1.3550059308518156
Energy: 1.6014496722065097
Energy: 1.3550059308518156
Energy: 1.3483822055508696
Energy: 1.1972087374162963
Energy: 1.7766308171455416
Energy: 1.1972087374157296
Energy: 1.4815085213339863
Energy: 1.2011140849325053
Energy: 1.773354032040627
Energy: 1.2011140849325053
Energy: 1.1543272870316703
Energy: 1.1981847165927855
Energy: 1.5220252883715109
Energy: 1.1981847165927855
Energy: 1.0098410805976277
Energy: 1.1111766162730534
Energy: 2.1311719474294417
Energy: 1.1111766162736203
Energy: 1.1535224701756221
Energy: 1.1350793899401637
Energy: 1.825503939582716
Energy: 1.135079389941864
Energy: 0.8111952402469625
Energy: 0.9113311020678849
Energy: 1.8162857223902606
Energy: 0.9113311020678849
Energy: 0.8256023026445727
Energy: 0.8320559889668879
Energy: 2.438534741718736
Energy: 0.8320559889634874
Energy: 0.8227763264099905
Energy: 0.8871563091894165
Energy: 2.0850496983066416
Energy: 0.8871563091916834
Energy: 0.6227047684805633
Energy: 0.6246796074973185
Energy: 2.0864924847464597
Energy: 0.6246796074967517
Energy: 0.6325962135753044
Energy: 0.6324617006302843
Energy: 2.638629063174034
Energy: 0.6324617006302843
Energy: 0.6604589408059829
Energy: 0.6225308317064566
Energy: 2.0340135311469627
Energy: 0.62253083170589
Energy: 0.8097029385984813
Energy: 0.8399933335400348
Energy: 2.261480605147714
Energy: 0.8399933335406017
Energy: 0.8109092508845139
Energy: 0.8228723883366073
Energy: 2.4810154698812896
Energy: 0.822872388337174
Energy: 0.8101099955477242
Energy: 1.542657757414369
Energy: 1.7507416614576294
Energy: 1.542657757414369
Energy: 1.1483377847532226
Energy: 1.1024645109515345
Energy: 2.2722797651700604
Energy: 1.1024645109515345
Energy: 1.1753261265762345
Energy: 1.1763742669482744
Energy: 1.9526219486013041
Energy: 1.1763742669477077
Energy: 1.1539906427916573
Energy: 1.5130267790135874
Energy: 1.6945816266322913
Energy: 1.5130267790141543
Energy: 1.4620651795500696
Energy: 1.207820996010847
Energy: 2.123965653130961
Energy: 1.2078209960102806
Energy: 1.4588054519517437
Energy: 1.218091796327119
Energy: 1.6150584881407992
Energy: 1.218091796326552
Energy: 1.8748468664384603
Energy: 1.2327253274387673
Energy: 1.3453599464363157
Energy: 1.2327253274399006
Energy: 1.5238033224005028
Energy: 1.2365122890126683
Energy: 1.6571935735335888
Energy: 1.2365122890121016
Energy: 1.7742704417607296
Energy: 1.2080496193173451
Energy: 1.3267708807599399
Energy: 1.2080496193173451
Energy: 2.123824174780322
Energy: 1.2048946178711044
Energy: 1.324722358840745
Energy: 1.2048946178711044
Energy: 1.550994461665119
Energy: 1.5151062741238128
Energy: 1.1571880560236434
Energy: 1.5151062741249464
Energy: 2.123864265310867
Energy: 1.149598184574506
Energy: 1.174194739579878
Energy: 1.1495981845750727
Energy: 2.12477565720357
Energy: 1.118037718948244
Energy: 1.1556486208544303
Energy: 1.1180377189488107
Energy: 1.8654366125064143
Energy: 0.9080694057078345
Energy: 0.8368703316600739
Energy: 0.908069405708968
Energy: 2.4804390831631595
Energy: 0.8882556039485747
Energy: 0.8106913971430196
Energy: 0.8882556039497082
Energy: 2.0897048404909935
Energy: 0.887064449429104
Energy: 0.8091447032169818
Energy: 0.887064449429104
Energy: 1.8650941408192117
Energy: 0.6241777545114636
Energy: 0.6264636181355692
Energy: 0.6241777545131638
Energy: 2.6482725981516615
Energy: 0.6209444682424298
Energy: 0.6327378841688427
Energy: 0.6209444682429966
Energy: 1.9848080334516323
Energy: 0.6244212772467431
Energy: 0.6585886970607661
Energy: 0.6244212772462021

minimum gb energy = 0.6209444682424298 eV
minimum distance =  2.32340792211594 Angstroms
sigma value = 113


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

Energy: 0.01779427094410843
Energy: 0.018595803559873746
Energy: 1.676658625061838
Energy: 0.5210384952218753
Energy: 0.01875566429598277
Energy: 0.13823590035076372
Energy: 1.2906351330241768
Energy: 0.13823590035119937
Energy: 0.018555508328183368
Energy: 0.1363609496396399
Energy: 1.2890966148841285
Energy: 0.13636094963881695
Energy: 0.01991002411974525
Energy: 0.13904824785323217
Energy: 1.6756501315474501
Energy: 0.13904824785405512
Energy: 1.6772739074417202
Energy: 0.1384338815568661
Energy: 1.2909187241058904
Energy: 0.13843388155599473
Energy: 0.01841550368497925
Energy: 0.13641877018197815
Energy: 1.2890563158720334
Energy: 0.13641877018197815

minimum gb energy = 0.01779427094410843 eV
minimum distance =  2.54475101331107 Angstroms
sigma value = 1