Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
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=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01784507639462038
Energy: 0.41358246547350014
Energy: 0.4135824654720801
Energy: 0.01784507639462038
Energy: 0.41358246547350014
Energy: 0.41358246547350014
Energy: 0.017845076393200363
Energy: 0.41358246547350014
Energy: 0.41358246547350014
Energy: 0.01784507639462038
Energy: 0.41219935408168595
Energy: 0.02140826952764066
Energy: 0.41154077446946546
Energy: 0.41219935408168595
Energy: 0.021408269526220644
Energy: 0.41154077446946546
Energy: 0.41219935408168595
Energy: 0.02140826952764066
Energy: 0.41154077446804543
Energy: 0.41219935408168595
Energy: 1.9177622772945297
Energy: 0.9023525265634494
Energy: 0.5356720141938209
Energy: 1.1449812332089853
Energy: 0.9023525265634494
Energy: 0.9023525265634494
Energy: 0.8593867095275161
Energy: 0.7065554355195421
Energy: 1.082290517354861
Energy: 0.8593893975524498
Energy: 0.41219935408168595
Energy: 0.41154077446804543
Energy: 0.021408269526220644
Energy: 0.41219935408168595
Energy: 0.41154077446804543
Energy: 0.021408269526220644
Energy: 0.4121993540802659
Energy: 0.41154077446946546
Energy: 0.02140826952764066
Energy: 0.4121993540802659
Energy: 0.01784507639462038
Energy: 0.41358246547350014
Energy: 0.41358246547350014
Energy: 0.01784507639462038
Energy: 0.41358246547350014
Energy: 0.41358246547350014
Energy: 0.017845076393200363
Energy: 0.41358246547350014
Energy: 0.41358246547350014
Energy: 0.01784507639462038
Energy: 0.41219935408168595
Energy: 0.021408269526220644
Energy: 0.41154077446804543
Energy: 0.41219935408168595
Energy: 0.02140826952764066
Energy: 0.41154077446946546
Energy: 0.41219935408168595
Energy: 0.02140826952764066
Energy: 0.41154077446804543
Energy: 0.41219935408168595
Energy: 0.859395558149154
Energy: 0.2433485770851715
Energy: 0.018636258794187444
Energy: 0.8593893664735961
Energy: 0.2433485770851715
Energy: 0.018636258794187444
Energy: 0.8593867904622864
Energy: 0.2433485770851715
Energy: 0.5356720141938209
Energy: 0.8593865279583217

minimum gb energy = 0.017845076393200363 eV
minimum distance =  2.31873869926209 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.0720295710816894
Energy: 1.6181136011674848
Energy: 1.5261705848664469
Energy: 0.9276803386802437
Energy: 1.618113601163311
Energy: 1.5261705848674587
Energy: 1.072029571080614
Energy: 1.6181136011622357
Energy: 1.526170584873024
Energy: 0.927680338681635
Energy: 1.4595995152513193
Energy: 1.0145899277862465
Energy: 1.3725470898719738
Energy: 1.4595995152481571
Energy: 1.0145899277855508
Energy: 1.3725470898729855
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Energy: 1.4595995152530268
Energy: 1.5564212876009642
Energy: 1.6565540742791058
Energy: 1.508206529648605
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Energy: 1.6565540742822682
Energy: 1.5082065296388656
Energy: 1.5564212876058339
Energy: 1.6565540742798017
Energy: 1.508206529639245
Energy: 1.5555217537320305
Energy: 1.6983482206791436
Energy: 1.89126959980056
Energy: 0.937671797254371
Energy: 1.6983482206777525
Energy: 1.8912695997987894
Energy: 0.9376717972539914
Energy: 1.6983482206840133
Energy: 1.891269599802647
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Energy: 0.8722085368036434
Energy: 1.5332346095075664
Energy: 1.4894985041785436
Energy: 0.8722085368043391
Energy: 1.537204229016479
Energy: 1.276861244978143
Energy: 0.8722085368074378
Energy: 1.5332346095086418
Energy: 1.4894985041785436
Energy: 0.8722085368032638
Energy: 1.7387135838985794
Energy: 1.086525904629778
Energy: 1.6707643702443347
Energy: 1.7387135838988956
Energy: 1.0865259038095914
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Energy: 1.6707643702425639
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Energy: 1.3213815476667419
Energy: 1.7687546552691522
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Energy: 1.3213815476692081
Energy: 1.7687546552716187
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Energy: 1.2733286141526678
Energy: 1.5084184234505946
Energy: 1.0124415156430475
Energy: 1.2733286141610158
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Energy: 1.8913327572541003
Energy: 0.9534650328800811
Energy: 1.7896059252994239
Energy: 1.8429213083955822
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Energy: 1.8429213083938745
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Energy: 1.8429213083914084
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Energy: 1.6432034430259241
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Energy: 1.6977549396225837
Energy: 0.940816438542089
Energy: 1.4862462505209715
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Energy: 0.9408164385396859
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Energy: 1.3300116637910615
Energy: 1.9278656880236238
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Energy: 1.9278656880243192
Energy: 1.0147872228600259
Energy: 1.330011663790366
Energy: 1.2409490805139054
Energy: 1.4733540985017992
Energy: 1.8811876047778744
Energy: 1.2409490805128305
Energy: 1.473354098502811
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Energy: 1.9982410660099041
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Energy: 0.9265808395465772
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Energy: 1.3666050043673754
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Energy: 1.3666050043676916
Energy: 1.0124525336500416
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Energy: 1.3666050043663005
Energy: 1.7708303914416883
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Energy: 1.303952673399605
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Energy: 1.7079316501285353
Energy: 1.3039526733947353
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Energy: 1.7079316504549908
Energy: 1.3039526733965061
Energy: 1.770830391442384
Energy: 1.6224201695645994
Energy: 1.6770791920469408
Energy: 0.950166062791738
Energy: 1.6224201695635876
Energy: 1.6281995791499029
Energy: 0.9501660627871846
Energy: 1.622420169562196
Energy: 1.6770791920487114
Energy: 0.9501660627910424
Energy: 1.6224201695639038
Energy: 0.8820826405963248
Energy: 1.237645319752891
Energy: 1.5223693489134436
Energy: 0.8820826405931628
Energy: 1.2484219841885091
Energy: 1.5346665239219548
Energy: 0.8820826405980324
Energy: 1.237645319749792
Energy: 1.5223693489134436
Energy: 0.8820826405956292
Energy: 1.5583167501327184
Energy: 0.9540591011083007
Energy: 1.7771578194842121
Energy: 1.5583167501393589
Energy: 0.9540591011083007
Energy: 1.7771578194811133
Energy: 1.5583167501470112
Energy: 0.9540591011093759
Energy: 1.7771578194845914
Energy: 1.558316750135501
Energy: 1.4953640569512983
Energy: 1.9164375070208903
Energy: 1.4679935078522832
Energy: 1.4953640569499067
Energy: 1.9164375070254438
Energy: 1.4679935078536748
Energy: 1.495364056945733
Energy: 1.9164375070184871
Energy: 1.467993507852663
Energy: 1.4953640569454165
Energy: 1.3521050574151974
Energy: 1.5029075209145408
Energy: 1.01934987349376
Energy: 1.3521050574461229
Energy: 1.5029075209190308
Energy: 1.0188624438020897
Energy: 1.3521050574589613
Energy: 1.5029075209176397
Energy: 1.0193498734979343
Energy: 1.3521050575149303
Energy: 1.0239210301291066
Energy: 1.6181136011691923
Energy: 1.526170584943286
Energy: 0.9276803386778406
Energy: 1.6181136011643227
Energy: 1.5261705849523297
Energy: 1.0239210301298025
Energy: 1.6181136011636272
Energy: 1.52617058495682
Energy: 0.9276803386774611
Energy: 1.459599515249928
Energy: 1.0145899277876378
Energy: 1.3725470898729855
Energy: 1.459599515252015
Energy: 1.0145899277865629
Energy: 1.3725470898740608
Energy: 1.4595995152551138
Energy: 1.0145899277883335
Energy: 1.3725470898782346
Energy: 1.4595995152513193
Energy: 1.5512232050561225
Energy: 1.6565540742784104
Energy: 1.508206529620462
Energy: 1.570924680798431
Energy: 1.6565540742825844
Energy: 1.5082065296197664
Energy: 1.551223205055427
Energy: 1.6565540742811928
Energy: 1.5082065296155924
Energy: 1.5709246807977353
Energy: 1.6983482206798395
Energy: 1.8912695997984732
Energy: 0.9376717972443154
Energy: 1.6983482206791436
Energy: 1.8912695997991689
Energy: 0.9376717972418488
Energy: 1.69834822068161
Energy: 1.8912695998019513
Energy: 0.9376717972439359
Energy: 1.69834822068161

minimum gb energy = 0.8722085368032638 eV
minimum distance =  2.29955393134839 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.31447750280931
Energy: 1.0898911215215874
Energy: 1.0920338986095903
Energy: 1.2161005113978929
Energy: 1.0898911215232847
Energy: 1.0920338986095903
Energy: 1.314477502807613
Energy: 1.089891121524982
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Energy: 1.514609421846322
Energy: 1.5871600416707705
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minimum gb energy = 1.067680725493081 eV
minimum distance =  2.29523801325876 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.5897079393917672
Energy: 1.5577110984543057
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Energy: 1.5897079393898526
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Energy: 1.5577110984543057
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Energy: 1.5897079393898526
Energy: 1.3411174430128032
Energy: 1.5091404456800452
Energy: 1.5815983859819598
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Energy: 1.5091404456934485
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Energy: 1.3411174430147181
Energy: 1.509140445689619
Energy: 1.5815983859819598
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Energy: 1.4991411630358678
Energy: 1.4602492970502163
Energy: 1.5179986783318995
Energy: 1.499141163033953
Energy: 1.4602492970502163
Energy: 1.5179986783318995
Energy: 1.4991411630377824
Energy: 1.4602492970502163
Energy: 1.5179986783299846
Energy: 1.4991411630358678
Energy: 1.5539506012816007
Energy: 1.5292539423920661
Energy: 1.5777338146849258
Energy: 1.5539506012816007
Energy: 1.5292539423920661
Energy: 1.5777338147059878
Energy: 1.5539506012816007
Energy: 1.5292539423920661
Energy: 1.5777338146868407
Energy: 1.553950601279686
Energy: 1.532263468195517
Energy: 1.422751416549311
Energy: 1.2869190175731255
Energy: 1.532263468195517
Energy: 1.422751416549311
Energy: 1.286919017569296
Energy: 1.532263468195517
Energy: 1.422751416549311
Energy: 1.2869190175731255
Energy: 1.5322634681936023
Energy: 1.3527775575058032
Energy: 1.611502152394756
Energy: 1.4118185353116337
Energy: 1.3527775575058032
Energy: 1.6115021523928412
Energy: 1.4118185348465584
Energy: 1.3527775575038883
Energy: 1.6115021523928412
Energy: 1.4118185344159488
Energy: 1.3527775575058032
Energy: 1.5087223122780689
Energy: 1.675625570624576
Energy: 1.6361031769792567
Energy: 1.5087223122780689
Energy: 1.6756255706264906
Energy: 1.6361031769811716
Energy: 1.5087223122799838
Energy: 1.6756255706264906
Energy: 1.6361031769792567
Energy: 1.5087223122761542
Energy: 1.5133210985285654
Energy: 1.2573799655577436
Energy: 1.5537845925539178
Energy: 1.5133210985285654
Energy: 1.2573799655577436
Energy: 1.5537845925520029
Energy: 1.5133210985285654
Energy: 1.2573799655577436
Energy: 1.5537845925539178
Energy: 1.5133210985285654

minimum gb energy = 1.245369817349282 eV
minimum distance =  2.28283362976787 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.2451963834696558
Energy: 1.4673511815249793
Energy: 1.4602672404392683
Energy: 1.2451963834689985
Energy: 1.467351181524322
Energy: 1.4602672404399255
Energy: 1.2451963834709705
Energy: 1.4673511815256366
Energy: 1.4602672404386108
Energy: 1.2451963834689985
Energy: 1.3100458194950906
Energy: 1.8075744162140357
Energy: 1.5848364103734431
Energy: 1.310045819489832
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Energy: 1.3100458194359896
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Energy: 1.5848364103681845
Energy: 1.3100458194261297
Energy: 1.2851666837133626
Energy: 1.726988020324345
Energy: 1.4975986723420875
Energy: 1.2851666837146773
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Energy: 1.28516668371402
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Energy: 1.4298026966376618
Energy: 1.9493646246633511
Energy: 1.2280521889947982
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Energy: 1.4165356221675554
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Energy: 1.416535622164926
Energy: 1.5822103909563092
Energy: 1.324789080399604
Energy: 1.4165356221668979
Energy: 1.5822103909556517
Energy: 1.324789080400919
Energy: 1.4165356221662406
Energy: 1.2893482562675025
Energy: 1.5108096506000048
Energy: 1.5259588090415896
Energy: 1.2893482562799918
Energy: 1.5108096506039488
Energy: 1.5259588090507623
Energy: 1.2893482562582996
Energy: 1.5108096506013196
Energy: 1.5259588090389604
Energy: 1.289348256280649
Energy: 1.4263454718793904
Energy: 1.5622880151698524
Energy: 1.5695544034426794
Energy: 1.4263454718793904
Energy: 1.5622880151698524
Energy: 1.569554403447938
Energy: 1.4263454718800477
Energy: 1.5622880151705094
Energy: 1.5695544034472808
Energy: 1.4263454718793904
Energy: 1.5253485844524874
Energy: 1.212768287962093
Energy: 1.6481770324291454
Energy: 1.52534858445183
Energy: 1.2127682879607782
Energy: 1.6481770324311174
Energy: 1.5253485844511727
Energy: 1.212768287960121
Energy: 1.6481770324311174
Energy: 1.5253485844524874
Energy: 1.2847439476676192
Energy: 1.497531790296592
Energy: 1.7275810832973835
Energy: 1.284743947666962
Energy: 1.4975317902992213
Energy: 1.7275810832980407
Energy: 1.2847439476676192
Energy: 1.4975317902985639
Energy: 1.7275810832993554
Energy: 1.2847439476689342
Energy: 1.3095426572553595
Energy: 1.593304628746
Energy: 1.808103481907778
Energy: 1.3095426572533875
Energy: 1.593304628740084
Energy: 1.8081034819090924
Energy: 1.3095426572744224
Energy: 1.5933046287584895
Energy: 1.8081034819071204
Energy: 1.309542657250758
Energy: 1.2451963834703133
Energy: 1.467351181524322
Energy: 1.4602672404392683
Energy: 1.245196383466369
Energy: 1.4673511815230074
Energy: 1.4602672404386108
Energy: 1.245196383468341
Energy: 1.4673511815236646
Energy: 1.4602672404392683
Energy: 1.2451963834709705

minimum gb energy = 1.212768287960121 eV
minimum distance =  2.33700640049212 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.4689416324625577
Energy: 1.2162046519012832
Energy: 1.2249614604103207
Energy: 1.3930719182069622
Energy: 1.2162046519038339
Energy: 1.2249614604103207
Energy: 1.4689416324600073
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Energy: 1.2374669113691181
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Energy: 1.332365969137733
Energy: 1.315900863945642
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Energy: 1.3323659691402832
Energy: 1.3159008639481926
Energy: 1.2595332533747086
Energy: 1.3323659691402832
Energy: 1.315900863945642
Energy: 1.259533253377259
Energy: 1.2209550297039742
Energy: 1.3520243856019931
Energy: 1.2392373579462161
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Energy: 1.3520243856019931
Energy: 1.2657124991768138
Energy: 1.2209550297090752
Energy: 1.3520243856045435
Energy: 1.2392373579411153
Energy: 1.2209550297065246
Energy: 1.2639735596718242
Energy: 1.5462305353840187
Energy: 1.2200208913417159
Energy: 1.2639735596718242
Energy: 1.5462305353865688
Energy: 1.219982497086062
Energy: 1.2639735596718242
Energy: 1.5462305353891193
Energy: 1.2200208913391655
Energy: 1.2639735596718242
Energy: 1.2538335003067775
Energy: 1.52763579982359
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Energy: 1.2538335003067775
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Energy: 1.2538335003093282
Energy: 1.5276357998286911
Energy: 1.4087945816486669
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Energy: 1.1678863315845402
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Energy: 1.1678863315845402
Energy: 1.361401416384018
Energy: 1.1825237849545385
Energy: 1.1678863315870907
Energy: 1.2482257770121818
Energy: 1.2825661615580641
Energy: 1.2448317642189946
Energy: 1.2482257770070808
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Energy: 1.2448317642215447
Energy: 1.2482257770121818
Energy: 1.2825661615606145
Energy: 1.2448317642240951
Energy: 1.2482257770121818
Energy: 1.3489598505881053
Energy: 1.438101946227248
Energy: 1.321038012958025
Energy: 1.3489598505881053
Energy: 1.438101946227248
Energy: 1.3210380129605293
Energy: 1.348959850585555
Energy: 1.438101946227248
Energy: 1.321038012958025
Energy: 1.3489598505881053
Energy: 1.2491475771763096
Energy: 1.2260561622025121
Energy: 1.4331784339696108
Energy: 1.24914757717886
Energy: 1.2260561622050623
Energy: 1.3936893332414078
Energy: 1.24914757717886
Energy: 1.2260561622050623
Energy: 1.4331784339721612
Energy: 1.2491475771814105
Energy: 1.288827239267003
Energy: 1.3238660164561207
Energy: 1.3230565029413461
Energy: 1.2888272392619018
Energy: 1.3190523861223133
Energy: 1.2944209269048494
Energy: 1.2888272392619018
Energy: 1.32386601645357
Energy: 1.3230565029438965
Energy: 1.2888272392619018
Energy: 1.1098577078176441
Energy: 1.3696856425719643
Energy: 1.288066130860716
Energy: 1.1098577078125436
Energy: 1.3425636579243696
Energy: 1.3007893836502737
Energy: 1.1098577078125436
Energy: 1.3696856425745148
Energy: 1.2880661308581656
Energy: 1.1098577078150937
Energy: 1.3151988663876388
Energy: 1.204166020998203
Energy: 1.2784355260633329
Energy: 1.3151988663850882
Energy: 1.2063227088072233
Energy: 1.278435526065883
Energy: 1.3151988663876388
Energy: 1.204166020998203
Energy: 1.278435526065883
Energy: 1.3151988663876388
Energy: 1.3626140721202058
Energy: 1.197035792949309
Energy: 1.3969511118068516
Energy: 1.362614072122756
Energy: 1.1581242080485594
Energy: 1.3969511118068516
Energy: 1.3626140721202058
Energy: 1.1970357929518594
Energy: 1.3969511118119524
Energy: 1.3626140721176554
Energy: 1.2938821393129376
Energy: 1.2206764867689561
Energy: 1.1521351471703452
Energy: 1.2938821393154878
Energy: 1.2206764867664057
Energy: 1.1521351471677947
Energy: 1.2938821393180382
Energy: 1.2206764867664057
Energy: 1.1521351471652443
Energy: 1.3301619855768243

minimum gb energy = 1.0972580082837446 eV
minimum distance =  2.30250384895599 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.042136448658206
Energy: 0.7122659964379587
Energy: 0.6872270187207983
Energy: 0.7146779950520658
Energy: 0.7122659964367479
Energy: 0.6872270187226147
Energy: 1.0421364486600226
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Energy: 0.6872270187216789
Energy: 0.7146779950517355
Energy: 0.9807820974338585
Energy: 0.6819904157924234
Energy: 0.8961627492675938
Energy: 0.9371455160738847
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Energy: 0.9660051531465175
Energy: 0.980782097433253
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Energy: 0.7486254084833852
Energy: 0.6946709940680046
Energy: 0.7364251480110594
Energy: 0.8296727062596773
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Energy: 0.6652335513361107
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Energy: 0.8296727062572553
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Energy: 0.826952377994979
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Energy: 0.705130781875971
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Energy: 0.6858751332967034
Energy: 0.6264750522099067
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Energy: 0.9499409295493965
Energy: 0.7864756240283436
Energy: 0.9890930018671872
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Energy: 0.9894136679415102
Energy: 0.6899443479004219
Energy: 0.6495070445163816
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Energy: 0.6372076736186673
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Energy: 0.9894136679423908
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Energy: 0.756723535913894
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Energy: 0.7954109527894633
Energy: 0.7711068000097796
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Energy: 0.7126500002314385
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Energy: 0.7711068000088437
Energy: 0.7310958731914393
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Energy: 0.7126500002314385
Energy: 0.9376455485433456
Energy: 0.9606007559411918
Energy: 0.6825083558024059
Energy: 0.9200819636145217
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Energy: 0.7122659964370781
Energy: 0.687227018720468
Energy: 0.7109508541410393
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Energy: 0.6872270187228898
Energy: 0.7109298015122788
Energy: 0.7122659964355369
Energy: 0.6872270187216789
Energy: 0.7109508541407641
Energy: 0.919538283206522
Energy: 0.6819904157914876
Energy: 0.9152080492596814
Energy: 0.8838704189658235
Energy: 0.6819904157906068
Energy: 0.8652266524045894
Energy: 0.9195382832061917
Energy: 0.6819904157936343
Energy: 0.9152080492588006
Energy: 0.883870418968851
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Energy: 0.6946709940661882
Energy: 0.6264146610490335
Energy: 0.7126989536721174
Energy: 0.6946709940689403
Energy: 0.6828908012282625
Energy: 0.7711956279954065
Energy: 0.6946709940659128
Energy: 0.6264146610499143
Energy: 0.7126989536733286
Energy: 1.0237196895513716
Energy: 0.6842506913115286
Energy: 0.780369676821926
Energy: 1.0237196895516467
Energy: 0.6842506913109231
Energy: 0.780369676823137
Energy: 1.0237196895492249
Energy: 0.6842506913115286
Energy: 0.7803696768249534
Energy: 1.0237196895498304
Energy: 0.7051307818756408
Energy: 0.685875133298795
Energy: 0.6371211881620988
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Energy: 0.6858751332985198
Energy: 0.6902406495221513
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Energy: 0.6858751332957675
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Energy: 0.7051307818768517
Energy: 0.9890930018671872
Energy: 0.9126283360602572
Energy: 0.7864756240280684
Energy: 0.9890930018665818
Energy: 1.0047916301610775
Energy: 0.8309277652323251
Energy: 0.9890930018675175
Energy: 0.9126283360608628
Energy: 0.7864756240292795
Energy: 0.9890930018663066
Energy: 0.7035105493090618
Energy: 0.8368608628580242
Energy: 1.0051655894505915
Energy: 0.7035105493087316
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Energy: 1.0051655894526834
Energy: 0.703510549306915
Energy: 0.8368608628601709
Energy: 1.005165589453289
Energy: 0.703510549306915
Energy: 0.9894136679417854
Energy: 0.6263253646453698
Energy: 0.6495070445196844
Energy: 0.9894136679423908
Energy: 0.6363583412076049
Energy: 0.6495070445184734
Energy: 0.9894136679429963
Energy: 0.6263253646453698
Energy: 0.6495070445172625
Energy: 0.9894136679448129
Energy: 0.7234450898005255
Energy: 0.884118877990723
Energy: 0.7028532800933073
Energy: 0.7565612052284034
Energy: 0.8290952709753125
Energy: 0.7028532800969403
Energy: 0.7234450898008558
Energy: 0.8841188779880258
Energy: 0.7028532800966099
Energy: 0.7565612052268622
Energy: 0.7485672827899948
Energy: 0.7062587193019076
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Energy: 0.8295874466865583
Energy: 0.7783803678619329
Energy: 0.687453652868761
Energy: 0.7485672827885087
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Energy: 0.960600755941522
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Energy: 0.7122659964370781
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Energy: 0.7146779950514602
Energy: 0.9807820974338585
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Energy: 0.8961627492633553
Energy: 0.937145516074215
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Energy: 0.9371455160726738
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Energy: 0.7364251480107842
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Energy: 0.6946709940683348
Energy: 0.6652335513355053
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Energy: 1.0237196895498304
Energy: 0.6842506913111983
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Energy: 1.023719689550436
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Energy: 0.8710832485806306
Energy: 1.023719689550436
Energy: 0.6842506913109231
Energy: 0.8269523779931626
Energy: 1.0237196895501603
Energy: 0.7051307818768517
Energy: 0.685875133298795
Energy: 0.6363858825134593
Energy: 0.7051307818780628
Energy: 0.6858751332979144
Energy: 0.6264750522093012
Energy: 0.7051307818786683
Energy: 0.6858751332973089
Energy: 0.6363858825137895
Energy: 0.7051307818768517
Energy: 0.9890930018669121
Energy: 0.9499409295466993
Energy: 0.7864756240286739
Energy: 0.9890930018675175
Energy: 0.9159890561008212
Energy: 0.8380887944193554
Energy: 0.9890930018687285
Energy: 0.9499409295491213
Energy: 0.7864756240289491
Energy: 0.9890930018663066
Energy: 0.7035105493090618
Energy: 0.7864982975341787
Energy: 1.0051655894502614
Energy: 0.7035105493096673
Energy: 0.8368608628592351
Energy: 1.005165589453289
Energy: 0.703510549306915
Energy: 0.7864982975335733
Energy: 1.005165589452078
Energy: 0.7035105493075204
Energy: 0.9894136679415102
Energy: 0.6899443479004219
Energy: 0.6495070445188037
Energy: 0.9894136679417854
Energy: 0.6372076736186673
Energy: 0.6495070445184734
Energy: 0.9894136679423908
Energy: 0.6899443478988807
Energy: 0.6495070445175927
Energy: 0.9894136679433266
Energy: 0.7567235359132883
Energy: 0.838710152631486
Energy: 0.7028532800935825
Energy: 0.7954109527876468
Energy: 0.8394564335961873
Energy: 0.7028532800960045
Energy: 0.7567235359114718
Energy: 0.8387101526284585
Energy: 0.7028532800975458
Energy: 0.7954109527885275
Energy: 0.7711068000100548
Energy: 0.7310958731908339
Energy: 0.6874536528684858
Energy: 0.7126500002320441
Energy: 0.6812790188859016
Energy: 0.6874536528681555
Energy: 0.771106800009174
Energy: 0.7310958731911091
Energy: 0.68745365286755
Energy: 0.7126500002311082
Energy: 0.9376455485433456
Energy: 0.9606007559411918
Energy: 0.6825083558120938
Energy: 0.920081963614852
Energy: 0.9606007559403112
Energy: 0.6825083558102774
Energy: 0.9376455485473089
Energy: 0.9606007559399808
Energy: 0.6825083558139103
Energy: 0.9200819636166685

minimum gb energy = 0.6263253646453698 eV
minimum distance =  2.42152762154309 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.1697547593404045
Energy: 1.1690053517551178
Energy: 1.192294280734461
Energy: 1.1417871002626574
Energy: 1.1690053517551178
Energy: 1.192294280734461
Energy: 1.1697547593404045
Energy: 1.169005351753456
Energy: 1.1922942807294752
Energy: 1.1417871002643196
Energy: 1.2007995552605808
Energy: 1.0902816390041843
Energy: 1.1273100569918038
Energy: 1.2007995552589188
Energy: 1.0902816390041843
Energy: 1.1273100569901418
Energy: 1.2007995552589188
Energy: 1.0902816390041843
Energy: 1.1273100569901418
Energy: 1.2007995552572568
Energy: 1.2270621967660467
Energy: 1.104521752474923
Energy: 1.18111210355774
Energy: 1.2456606074107244
Energy: 1.104521752476585
Energy: 1.1595214261940228
Energy: 1.207957963062771
Energy: 1.104521752476585
Energy: 1.1595214261906985
Energy: 1.207957963062771
Energy: 1.3676246188586676
Energy: 1.1032718749115746
Energy: 1.2888005940217007
Energy: 1.3676246188602994
Energy: 1.1032718749099129
Energy: 1.2888005940200387
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Energy: 1.1032718749132366
Energy: 1.2888005940183767
Energy: 1.3676246188602994
Energy: 1.2466597047331225
Energy: 1.1162681809528185
Energy: 1.1184725998147411
Energy: 1.2466597047347845
Energy: 1.1162681809544803
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Energy: 1.2466597047364465
Energy: 1.1162681809561423
Energy: 1.1184725998164031
Energy: 1.2466597047331225
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Energy: 1.155943964935456
Energy: 1.272183477877313
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Energy: 1.272183477873989
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Energy: 1.1834229184344451
Energy: 1.1347166266625228
Energy: 1.1615996930476034
Energy: 1.2485978501910668
Energy: 1.138453628501668
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Energy: 1.0697705202515249
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Energy: 1.0697705202531866
Energy: 1.1354905813898097
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Energy: 1.2701735576042334
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Energy: 1.1780671118799333
Energy: 1.2628191195567922
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Energy: 1.1780671118832575
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Energy: 1.2628191195551302
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Energy: 1.1156700076184163
Energy: 1.1280214047505779
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Energy: 1.115670007620078
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Energy: 1.2721414218892855
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Energy: 1.197039975393871
Energy: 1.1776454701868542
Energy: 1.1977246498360967
Energy: 1.197039975392209
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Energy: 1.1978162332984013
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Energy: 1.1776454701868542
Energy: 1.197724649832773
Energy: 1.197039975393871
Energy: 1.1120703774196525
Energy: 1.2864261711285858
Energy: 1.2725317280056647
Energy: 1.1120703774163283
Energy: 1.2836857167546378
Energy: 1.2777080146287543
Energy: 1.1120703774196525
Energy: 1.286426171126924
Energy: 1.2725317280040027
Energy: 1.1120703774179905
Energy: 1.1429694446844083
Energy: 1.1649813713451203
Energy: 1.149751057462684
Energy: 1.1429694446844083
Energy: 1.1693555844070347
Energy: 1.1504605083340689
Energy: 1.1429694446810843
Energy: 1.1649813713534303
Energy: 1.1497510574460945
Energy: 1.1429694446810843
Energy: 1.0757993422185779
Energy: 1.1920653209575887
Energy: 1.1466063092796728
Energy: 1.0757993422185779
Energy: 1.1920653209592507
Energy: 1.1466063092813348
Energy: 1.0757993422202397
Energy: 1.1920653209592507
Energy: 1.1466063092829966
Energy: 1.0757993422235637
Energy: 1.2116330154171848
Energy: 1.1430263883620064
Energy: 1.1854868015045643
Energy: 1.2116330154171848
Energy: 1.1430263883603444
Energy: 1.1854868015045643
Energy: 1.2116330154188466
Energy: 1.1430263883636684
Energy: 1.1854868015045643
Energy: 1.2116330154188466
Energy: 1.0919995192620717
Energy: 1.1804596372167682
Energy: 1.1197450136416687
Energy: 1.0919995192637337
Energy: 1.1804596372151062
Energy: 1.119745013643331
Energy: 1.091999519265396
Energy: 1.1804596372184304
Energy: 1.1197450136416687
Energy: 1.0919995192637337
Energy: 1.1499971417263706
Energy: 1.2737541948454159
Energy: 1.1219089055948401
Energy: 1.1499971417230466
Energy: 1.2737541948454159
Energy: 1.121908905591516
Energy: 1.1499971417263706
Energy: 1.2737541948437539
Energy: 1.121908905589854
Energy: 1.1499971417280326
Energy: 1.2750996495206322
Energy: 1.3139283145716691
Energy: 1.0965056339587596
Energy: 1.2750996495189701
Energy: 1.3139283145733311
Energy: 1.0965056339570978
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Energy: 1.2494881311952661
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Energy: 1.1921007961985355
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Energy: 1.34871811733764
Energy: 1.1921007962001977
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Energy: 1.1921007962018597
Energy: 1.1270230167612816
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Energy: 1.1913361101490434
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Energy: 1.122686622418799
Energy: 1.1913361101473814
Energy: 1.1270230167629436
Energy: 1.122686622418799
Energy: 1.1913361101490434
Energy: 1.1270230167612816
Energy: 1.1204563046376375
Energy: 1.1785903597884175
Energy: 1.2043604052268324
Energy: 1.1204563046376375
Energy: 1.1785903597834617
Energy: 1.2043604052284944
Energy: 1.1204563046392995
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Energy: 1.261221059080112
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Energy: 1.2272513697800163
Energy: 1.2612210590767883
Energy: 1.117840826020089
Energy: 1.2272513697800163
Energy: 1.2612210590767883
Energy: 1.1178408260234127

minimum gb energy = 1.0695649854644727 eV
minimum distance =  2.32677970816343 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.3211854992613028
Energy: 1.5345928479577773
Energy: 1.5347860105916216
Energy: 1.3211854992602028
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Energy: 1.2845175285792245
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Energy: 1.4028040192497708
Energy: 1.437840682206773
Energy: 1.4011646263376742
Energy: 1.4028040192497708
Energy: 1.437840682205673
Energy: 1.3372247056042945
Energy: 1.5478193072221267
Energy: 1.6367961354463136
Energy: 1.3372247056042945
Energy: 1.5478193072221267
Energy: 1.6367961354463136
Energy: 1.3372247056042945
Energy: 1.5478193072221267
Energy: 1.6367961354474136
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Energy: 1.424661638759335
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Energy: 1.6106003211683717
Energy: 1.5188173411479695
Energy: 1.4246616387604352
Energy: 1.6106003211683717
Energy: 1.5188173411490697
Energy: 1.4246616387604352

minimum gb energy = 1.2347661071834395 eV
minimum distance =  2.30886374576745 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.7583449067553183
Energy: 1.5188683868017296
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Energy: 1.63314260726372
Energy: 1.6885141907321375
Energy: 1.7144765736061351
Energy: 1.6331426072698427
Energy: 1.6885141907280805
Energy: 1.7144765735939635
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minimum gb energy = 1.3819217347974693 eV
minimum distance =  2.2773349437782 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.4450055974681615
Energy: 1.5134957132042475
Energy: 1.4983081956029984
Energy: 1.4450055974729046
Energy: 1.5134957132074547
Energy: 1.6647705230433076
Energy: 1.5910753882790962
Energy: 1.495718692499358
Energy: 1.664770523041591
Energy: 1.5910753882798643
Energy: 1.4957186924986352
Energy: 1.6647705230403713
Energy: 1.5910753882785993
Energy: 1.495718692499358
Energy: 1.6647705230386096
Energy: 1.527932097324951
Energy: 1.7358532642136462
Energy: 1.7360200854206917
Energy: 1.5279320973237316
Energy: 1.7358532642146398
Energy: 1.7360200854236731
Energy: 1.5279320973252222
Energy: 1.735853264214414
Energy: 1.7360200854231762
Energy: 1.527932097325448
Energy: 1.6520238337875333
Energy: 1.4946810205096395
Energy: 1.584791129821718
Energy: 1.6520238337860427
Energy: 1.4946810205101364
Energy: 1.5847911298207242
Energy: 1.6520238337868107
Energy: 1.4946810205106333
Energy: 1.5847911298202275
Energy: 1.6520238337875333
Energy: 1.5019220020025026
Energy: 1.467085608415213
Energy: 1.547163401687051
Energy: 1.501922002001509
Energy: 1.4670856084184203
Energy: 1.5471634016880451
Energy: 1.5019220020022768
Energy: 1.4670856084176975
Energy: 1.547163401688271
Energy: 1.5019220020005148
Energy: 1.5952841272767633
Energy: 1.45336456317458
Energy: 1.8925269972765038
Energy: 1.5952841272767633
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Energy: 1.892526997269547
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Energy: 1.4533645631760705
Energy: 1.8925269972770007
Energy: 1.5952841272765377
Energy: 1.7861437845057184
Energy: 1.4035249599270059
Energy: 1.6254253894539978
Energy: 1.7861437845057184
Energy: 1.4035249599326978
Energy: 1.625425389454766
Energy: 1.7861437845019692
Energy: 1.4035249599329689
Energy: 1.6254253894530042
Energy: 1.7861437845062154
Energy: 1.682612533104566
Energy: 1.6628586233949219
Energy: 1.4692993107927907
Energy: 1.6826125331057857
Energy: 1.6628586233924374
Energy: 1.4692993107925647
Energy: 1.6826125331052888
Energy: 1.662858623393657
Energy: 1.4692993107930616
Energy: 1.6826125331057857
Energy: 1.4039372814085074
Energy: 1.5949493543140203
Energy: 1.6493940583337607
Energy: 1.4039372814127085
Energy: 1.594949354315285
Energy: 1.6493940583297853
Energy: 1.4039372813871405
Energy: 1.5949493543123037
Energy: 1.6493940583337607
Energy: 1.403937281384656
Energy: 1.6219900833196819
Energy: 1.5429838108368161
Energy: 1.5417065387395485
Energy: 1.62199008332045
Energy: 1.5429838108341056
Energy: 1.5417065387423041
Energy: 1.6219900833226635
Energy: 1.5429838108323441
Energy: 1.5417065387460085
Energy: 1.6219900833159777
Energy: 1.4565915505779674
Energy: 1.6552849745925644
Energy: 1.5932062483958016
Energy: 1.4565915505749858
Energy: 1.6552849745975333
Energy: 1.5932062483940397
Energy: 1.4565915505771994
Energy: 1.6552849745873697
Energy: 1.5932062483967955
Energy: 1.4565915505784643
Energy: 1.6752313925127027
Energy: 1.4700183731237015
Energy: 1.663474717461163
Energy: 1.6752313925129287
Energy: 1.4700183731256893
Energy: 1.6634747174594464
Energy: 1.675231392512206
Energy: 1.470018373125463
Energy: 1.6634747174576845
Energy: 1.6752313925127027
Energy: 1.7911775569356627
Energy: 1.6105283443972676
Energy: 1.406956606755158
Energy: 1.791177556837321
Energy: 1.6105283443967706
Energy: 1.4069566067534414
Energy: 1.791177556852725
Energy: 1.6105283443960476
Energy: 1.406956606755158
Energy: 1.7911775568191617
Energy: 1.5952817551951264
Energy: 1.8983145601416607
Energy: 1.4685788160331836
Energy: 1.5952817551946297
Energy: 1.898314560141435
Energy: 1.4685788160349003
Energy: 1.5952817551948553
Energy: 1.898314560140441
Energy: 1.4685788160334092
Energy: 1.5952817551943583

minimum gb energy = 1.4035249599270059 eV
minimum distance =  2.31273424393882 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.3595589681974936
Energy: 1.4332474852334074
Energy: 1.4224829669938654
Energy: 1.3595589681965956
Energy: 1.4332474852378978
Energy: 1.4224829670239107
Energy: 1.3595589681965956
Energy: 1.4332474852387962
Energy: 1.422482967027503
Energy: 1.3595589681965956
Energy: 1.9172476401538137
Energy: 1.4288253586860593
Energy: 1.9202172374861488
Energy: 1.9172476401538137
Energy: 1.4288253586887538
Energy: 1.9202172374856996
Energy: 1.9172476401529157
Energy: 1.4288253586851614
Energy: 1.9202172374852504
Energy: 1.9172476401542629
Energy: 1.4862942720177823
Energy: 1.4592695562694227
Energy: 1.4711863584292797
Energy: 1.4862942720159862
Energy: 1.4592695562685245
Energy: 1.4711863584297284
Energy: 1.4862942720159862
Energy: 1.4592695562703208
Energy: 1.4711863584283813
Energy: 1.486294272015537
Energy: 1.687823582315812
Energy: 1.4248318382977903
Energy: 1.4202931780254273
Energy: 1.687823582315812
Energy: 1.424831838267255
Energy: 1.4202931781129509
Energy: 1.6878235823162613
Energy: 1.4248318383884575
Energy: 1.4202931778750778
Energy: 1.6878235823162613
Energy: 1.9215372472485135
Energy: 1.4502564869282057
Energy: 1.917243180628717
Energy: 1.9215372472471663
Energy: 1.4502564869282057
Energy: 1.917243180628717
Energy: 1.9215372472471663
Energy: 1.4502564869282057
Energy: 1.917243180628268
Energy: 1.9215372472476155
Energy: 1.4332474852369999
Energy: 1.4224829669023005
Energy: 1.3595589682001472
Energy: 1.433247485237449
Energy: 1.4224829669184251
Energy: 1.3595589681952485
Energy: 1.4332474852387962
Energy: 1.422482966926508
Energy: 1.3595589681974936
Energy: 1.433247485237449
Energy: 1.4288253586896518
Energy: 1.9202172374852504
Energy: 1.9172476401529157
Energy: 1.4288253586869575
Energy: 1.9202172374856996
Energy: 1.9172476401538137
Energy: 1.4288253586927953
Energy: 1.9202172374861488
Energy: 1.9172476401533647
Energy: 1.4288253586887538
Energy: 1.4592695562694227
Energy: 1.4711863584288303
Energy: 1.486294272015537
Energy: 1.4592695562689737
Energy: 1.4711863584288303
Energy: 1.486294272015088
Energy: 1.4592695562698716
Energy: 1.4711863584301776
Energy: 1.486294272015537
Energy: 1.4592695562689737
Energy: 1.4248318383543295
Energy: 1.4202931782534212
Energy: 1.6878235823149141
Energy: 1.424831838447242
Energy: 1.420293177960356
Energy: 1.687823582315812
Energy: 1.4248318384239322
Energy: 1.4202931780272232
Energy: 1.68782358231671
Energy: 1.4248318384355665
Energy: 1.450256486929553
Energy: 1.917243180628717
Energy: 1.9215372472471663
Energy: 1.450256486929553
Energy: 1.917243180628717
Energy: 1.9215372472480647
Energy: 1.4502564869286547
Energy: 1.9172431806278192
Energy: 1.9215372472476155
Energy: 1.4502564869286547
Energy: 1.4224829668937682
Energy: 1.3595589681956974
Energy: 1.433247485237449
Energy: 1.4224829669112813
Energy: 1.3595589681979428
Energy: 1.4332474852378978
Energy: 1.422482966917527
Energy: 1.359558968198351
Energy: 1.433247485238347
Energy: 1.4224829668933194
Energy: 1.9202172374861488
Energy: 1.9172476401529157
Energy: 1.4288253586847122
Energy: 1.9202172374856996
Energy: 1.9172476401524665
Energy: 1.4288253586874067
Energy: 1.9202172374856996
Energy: 1.9172476401533647
Energy: 1.4288253586896518
Energy: 1.9202172374852504
Energy: 1.4711863584297284
Energy: 1.4862942720168841
Energy: 1.4592695562694227
Energy: 1.4711863584292797
Energy: 1.4862942720177823
Energy: 1.4592695562698716
Energy: 1.4711863584292797
Energy: 1.4862942720177823
Energy: 1.4592695562698716
Energy: 1.4711863584288303
Energy: 1.4202931780258763
Energy: 1.687823582315812
Energy: 1.4248318382919525
Energy: 1.420293177985462
Energy: 1.687823582315812
Energy: 1.424831838402827
Energy: 1.420293178107562
Energy: 1.6878235823176084
Energy: 1.424831838458019
Energy: 1.4202931779746848
Energy: 1.91724318062737
Energy: 1.9215372472467176
Energy: 1.4502564869300019
Energy: 1.9172431806291663
Energy: 1.9215372472485135
Energy: 1.4502564869291037
Energy: 1.9172431806278192
Energy: 1.9215372472485135
Energy: 1.450256486929553
Energy: 1.917243180629615
Energy: 1.3595589681979428
Energy: 1.4332474852334074
Energy: 1.4224829667842414
Energy: 1.3595589681939013
Energy: 1.4332474852329584
Energy: 1.422482966805347
Energy: 1.3595589681961466
Energy: 1.4332474852293662
Energy: 1.4224829668219614
Energy: 1.3595589681970448
Energy: 1.9172476401533647
Energy: 1.4288253586847122
Energy: 1.9202172374848019
Energy: 1.9172476401538137
Energy: 1.4288253586856106
Energy: 1.9202172374856996
Energy: 1.9172476401529157
Energy: 1.4288253586833652
Energy: 1.9202172374856996
Energy: 1.9172476401533647
Energy: 1.4862942720164354
Energy: 1.4592695562685245
Energy: 1.4711863584292797
Energy: 1.4862942720164354
Energy: 1.4592695562689737
Energy: 1.4711863584297284
Energy: 1.4862942720177823
Energy: 1.4592695562689737
Energy: 1.4711863584306266
Energy: 1.4862942720177823
Energy: 1.6878235823153631
Energy: 1.4248318383323673
Energy: 1.4202931780146502
Energy: 1.6878235823153631
Energy: 1.4248318383776803
Energy: 1.4202931779527221
Energy: 1.687823582315812
Energy: 1.4248318384010308
Energy: 1.420293177886712
Energy: 1.687823582315812
Energy: 1.9215372472480647
Energy: 1.4502564869291037
Energy: 1.917243180629615
Energy: 1.9215372472471663
Energy: 1.4502564869286547
Energy: 1.917243180628268
Energy: 1.9215372472480647
Energy: 1.4502564869277565
Energy: 1.917243180628268
Energy: 1.9215372472476155
Energy: 1.4332474852352037
Energy: 1.4224829667272532
Energy: 1.3595589681987998
Energy: 1.4332474852338568
Energy: 1.4224829667370913
Energy: 1.3595589681965956
Energy: 1.4332474852298152
Energy: 1.42248296677077
Energy: 1.3595589681992493
Energy: 1.4332474852316115
Energy: 1.4288253586883046
Energy: 1.9202172374848019
Energy: 1.9172476401542629
Energy: 1.4288253586869575
Energy: 1.9202172374852504
Energy: 1.9172476401533647
Energy: 1.4288253586869575
Energy: 1.9202172374852504
Energy: 1.9172476401538137
Energy: 1.4288253586856106

minimum gb energy = 1.3595589681939013 eV
minimum distance =  2.33733343356298 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.499291573862914
Energy: 1.5999741621608732
Energy: 1.6509009307888098
Energy: 1.4205412976934677
Energy: 1.5999778902787976
Energy: 1.6509009303839246
Energy: 1.499291573862914
Energy: 1.5999802824594402
Energy: 1.6509009312913636
Energy: 1.4205412976914322
Energy: 1.7229588560251463
Energy: 1.3833320594631004
Energy: 1.6120555898942937
Energy: 1.7229588560231106
Energy: 1.383332059461065
Energy: 1.6120555899004003
Energy: 1.7229588560231106
Energy: 1.3833320594590295
Energy: 1.6120555898963291
Energy: 1.7229588560231106
Energy: 1.6908251298732182
Energy: 1.484235005755443
Energy: 1.7104154202167954
Energy: 1.6908251298752535
Energy: 1.4842350057574785
Energy: 1.71041542021476
Energy: 1.6908251298752535
Energy: 1.484235005759514
Energy: 1.71041542021476
Energy: 1.6908251298772892
Energy: 1.4261198625782765
Energy: 1.4806497115866646
Energy: 1.4017174867491087
Energy: 1.4261198625803122
Energy: 1.4806497115907358
Energy: 1.4017174867491087
Energy: 1.4261198625803122
Energy: 1.4806497115907358
Energy: 1.4017174867470734
Energy: 1.4261198625803122
Energy: 1.6643851799926523
Energy: 1.3575199096887747
Energy: 1.6872299637758443
Energy: 1.664385179994688
Energy: 1.357519909684704
Energy: 1.6872299637738088
Energy: 1.664385179994688
Energy: 1.3575199096908104
Energy: 1.6872299637717731
Energy: 1.6643851799926523
Energy: 1.4896277645514304
Energy: 1.8821517293928944
Energy: 1.3504128102816229
Energy: 1.4896277645514304
Energy: 1.8821517293949297
Energy: 1.3504128102795874
Energy: 1.4896277645493947
Energy: 1.8821517293969654
Energy: 1.3504128102816229
Energy: 1.4896277645514304
Energy: 1.4648668398540803
Energy: 1.6150635350011688
Energy: 1.5917801908357758
Energy: 1.4439420651805928
Energy: 1.615063535003204
Energy: 1.5917801908337401
Energy: 1.4648668398520446
Energy: 1.615063535003204
Energy: 1.5917801908337401
Energy: 1.4439420651826285
Energy: 1.3847665559741629
Energy: 1.7028307120989261
Energy: 1.6382053323682109
Energy: 1.3847665559721272
Energy: 1.7028307121009618
Energy: 1.6382053323702463
Energy: 1.3847665559741629
Energy: 1.7028307121029973
Energy: 1.638205332372282
Energy: 1.3847665559700917
Energy: 2.062886622490653
Energy: 1.480753030839884
Energy: 1.4780970067002828
Energy: 2.0628866224886178
Energy: 1.437638484517718
Energy: 1.3953782598510003
Energy: 2.062886622490653
Energy: 1.4807530308459904
Energy: 1.4780970067002828
Energy: 2.062886622490653
Energy: 1.3989196823890404
Energy: 1.9536216856612016
Energy: 1.737108417729147
Energy: 1.3993076182355122
Energy: 1.9536216856632374
Energy: 1.7080651590640736
Energy: 1.3989196823890404
Energy: 1.9536216856612016
Energy: 1.737108417733218
Energy: 1.3993076182355122
Energy: 1.4842477625041421
Energy: 1.4470351414645428
Energy: 1.5273886062373985
Energy: 1.4842477625102486
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Energy: 1.5273886062373985
Energy: 1.4842477625061774
Energy: 1.4470351414665785
Energy: 1.5273886062354
Energy: 1.484247762508213
Energy: 1.5374678339314243
Energy: 1.3686965952263728
Energy: 1.6692410989152322
Energy: 1.53746783393346
Energy: 1.374315916622202
Energy: 1.669241098917268
Energy: 1.537467833945673
Energy: 1.3686965952284083
Energy: 1.6692410989152322
Energy: 1.5374678339436374
Energy: 1.5867000798971038
Energy: 1.3946774715577417
Energy: 1.4994664977356298
Energy: 1.5867000798991397
Energy: 1.3946774715557062
Energy: 1.499466497733594
Energy: 1.58670007989307
Energy: 1.3946774715577417
Energy: 1.499466497733594
Energy: 1.5867000798971038
Energy: 1.3769712617237684
Energy: 1.3751418959640023
Energy: 2.0027308952162883
Energy: 1.3769712617237684
Energy: 1.3751418959599315
Energy: 2.0027308952162883
Energy: 1.3769712617237684
Energy: 1.375141895961967
Energy: 2.0027308952162883
Energy: 1.3769712617237684
Energy: 1.7164670196497964
Energy: 1.6005450535793966
Energy: 1.402845884759308
Energy: 1.7164670196477612
Energy: 1.60054505359161
Energy: 1.4028597203035917
Energy: 1.7164670196497964
Energy: 1.600545053577361
Energy: 1.4028458847552367
Energy: 1.7164670196518321
Energy: 1.3762072552862148
Energy: 1.7841780988236617
Energy: 1.5663262149220107
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Energy: 1.7841780988236617
Energy: 1.5663262149260817
Energy: 1.3762072552821436
Energy: 1.7841780988256974
Energy: 1.566326214924046
Energy: 1.3762072552862148
Energy: 1.4286372513489225
Energy: 1.8779479452716976
Energy: 1.5658703473240354
Energy: 1.4823943146705367
Energy: 1.8779479452716976
Energy: 1.565870347326071
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Energy: 1.877947945273733
Energy: 1.5658703473240354
Energy: 1.4823943146705367
Energy: 1.793294476553246
Energy: 1.3650390579650191
Energy: 1.6716679058284698
Energy: 1.7932944765512104
Energy: 1.3650390579629836
Energy: 1.671667905830505
Energy: 1.7932944765552816
Energy: 1.3650390579670546
Energy: 1.671667905826434
Energy: 1.793294476549175
Energy: 1.3904662934929304
Energy: 1.786350030065196
Energy: 1.54201493094793
Energy: 1.3904662934929304
Energy: 1.7863500300672317
Energy: 1.5420149309458946
Energy: 1.3904662934949659
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Energy: 1.3904662934929304
Energy: 1.7764234077245031
Energy: 1.3948821476701054
Energy: 1.694411420782725
Energy: 1.7764234077204322
Energy: 1.3948821476701054
Energy: 1.6944114207888317
Energy: 1.7764234077224679
Energy: 1.3948821476701054
Energy: 1.6944114207847605
Energy: 1.7764234077204322
Energy: 1.4999367921276843
Energy: 1.392678887264388
Energy: 1.5755950911198326
Energy: 1.4999367921337907
Energy: 1.392678887264388
Energy: 1.575595091109655
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Energy: 1.3926788872664237
Energy: 1.575595091113726
Energy: 1.4999367921297198
Energy: 1.695368063754513
Energy: 2.0029551429629926
Energy: 1.3504998450074674
Energy: 1.6953680637524775
Energy: 2.002955142958921
Energy: 1.3504998450074674
Energy: 1.6953680637484065
Energy: 2.0029551429629926
Energy: 1.3504998450074674
Energy: 1.6953680637524775
Energy: 1.4430377070413938
Energy: 1.506185167384828
Energy: 1.5505157001053766
Energy: 1.4668919948597707
Energy: 1.492456133167062
Energy: 1.5505157000016017
Energy: 1.4430377070413938
Energy: 1.5061851673807571
Energy: 1.550515700264074
Energy: 1.4668919948618064
Energy: 1.4100895349538383
Energy: 1.5306109424211547
Energy: 1.3972298919524984
Energy: 1.4100895349538383
Energy: 1.5306109424211547
Energy: 1.3972298919524984
Energy: 1.4100895349579095
Energy: 1.5306109424211547
Energy: 1.3972298919463921
Energy: 1.4100895349579095
Energy: 1.4971264899531376
Energy: 1.5461212846446903
Energy: 1.4822101003146162
Energy: 1.497126489955173
Energy: 1.5461212846487613
Energy: 1.4822101003146162
Energy: 1.497126489955173
Energy: 1.5461212846426546
Energy: 1.4822101003166517
Energy: 1.497126489955173
Energy: 1.3723789904825108
Energy: 1.7342887559098046
Energy: 1.5909218431506436
Energy: 1.3716321589208225
Energy: 1.7342887559098046
Energy: 1.6111638684672542
Energy: 1.372378990486582
Energy: 1.734288755922018
Energy: 1.590921843140466
Energy: 1.3716321589208225
Energy: 1.5263283191798669
Energy: 1.4307259047158107
Energy: 1.4993555146713764
Energy: 1.526328324036492
Energy: 1.4307259047158107
Energy: 1.4993555146693411
Energy: 1.5263283204514806
Energy: 1.4307259047158107
Energy: 1.4993555146693411
Energy: 1.526328315069911
Energy: 1.7918324079975188
Energy: 1.5825930678883289
Energy: 1.650962078534875
Energy: 1.7918324079975188
Energy: 1.5825930678883289
Energy: 1.6509620785287686
Energy: 1.7918324079975188
Energy: 1.5825930678903644
Energy: 1.6509620785308041
Energy: 1.7918324079954833
Energy: 1.5562207250027973
Energy: 1.37197122100297
Energy: 1.5144652516838348
Energy: 1.4850469536109356
Energy: 1.372092685660901
Energy: 1.5144652516817996
Energy: 1.5562207250048326
Energy: 1.371971221007041
Energy: 1.5144652516858705
Energy: 1.4850469535844737
Energy: 1.5685204862927005
Energy: 1.36926450167767
Energy: 1.5639139759169662
Energy: 1.568520486290665
Energy: 1.369264501673599
Energy: 1.5639139759230358
Energy: 1.568520486294736
Energy: 1.3692645016797054
Energy: 1.5639139759291425
Energy: 1.568520486294736
Energy: 1.8070202960017294
Energy: 1.670156429947414
Energy: 1.406087400196946
Energy: 1.807020295727044
Energy: 1.670156429947414
Energy: 1.4061113224877209
Energy: 1.8070202961665334
Energy: 1.67015642994945
Energy: 1.406087400196946
Energy: 1.8070202956476955
Energy: 1.463959627682382
Energy: 1.6814836327159834
Energy: 1.5532823147971295
Energy: 1.463959627682382
Energy: 1.6814836327200544
Energy: 1.5532823148012007
Energy: 1.463959627682382
Energy: 1.6814836327200544
Energy: 1.5532823147971295
Energy: 1.4639596276844176
Energy: 1.4989334553503226
Energy: 1.5674483108239665
Energy: 1.7141141715054589
Energy: 1.452115952267861
Energy: 1.5674483108239665
Energy: 1.7141141715054589
Energy: 1.4989334553503226
Energy: 1.5674483108198956
Energy: 1.7141141715034234
Energy: 1.452115952267861
Energy: 1.5014245075821546
Energy: 1.7859782612407218
Energy: 1.7649762216360747
Energy: 1.4253731482597152
Energy: 1.785978261238686
Energy: 1.7200586815097259
Energy: 1.50142450758419
Energy: 1.7859782612407218
Energy: 1.7649762216360747
Energy: 1.4253731482597152
Energy: 1.364467997573275
Energy: 1.9019144451960401
Energy: 1.8222327977154684
Energy: 1.364467997573275
Energy: 1.9019144451960401
Energy: 1.8222327977154684
Energy: 1.3644679975712395
Energy: 1.9019144451919694
Energy: 1.8222327977175041
Energy: 1.364467997573275
Energy: 1.7513634412061798
Energy: 1.4120299461871157
Energy: 1.5994179022105786
Energy: 1.7513634412061798
Energy: 1.4120299461891515
Energy: 1.599417902200401
Energy: 1.7513634412082153
Energy: 1.4120299461871157
Energy: 1.599417902200401
Energy: 1.7513634412061798
Energy: 1.7242421532316732
Energy: 1.541962903407963
Energy: 1.3679718697019974
Energy: 1.724242153227602
Energy: 1.541962903407963
Energy: 1.3712219148847244
Energy: 1.724242153227602
Energy: 1.5419629034099984
Energy: 1.3679718696999619
Energy: 1.7242421532296377
Energy: 1.7600555895609569
Energy: 1.63240195536444
Energy: 1.3729994391506917
Energy: 1.7600555895568855
Energy: 1.6324019553664757
Energy: 1.3729994391506917
Energy: 1.7600555895589212
Energy: 1.63240195536444
Energy: 1.3729994391527272
Energy: 1.7600555895568855
Energy: 1.6129406515801181
Energy: 1.5931302560570222
Energy: 1.5246908109922348
Energy: 1.6129406515801181
Energy: 1.5931302560570222
Energy: 1.5246908109861281
Energy: 1.6129406515841893
Energy: 1.5931302560549865
Energy: 1.524690810990199
Energy: 1.6129406515841893
Energy: 1.9983162189712356
Energy: 1.6084412686198721
Energy: 1.4769437079459984
Energy: 1.9983162189712356
Energy: 1.6084412686178367
Energy: 1.4769437079459984
Energy: 1.998316218973271
Energy: 1.6084412686178367
Energy: 1.4769437079459984
Energy: 1.9983162189712356
Energy: 1.3575384132279753
Energy: 1.8051562105730254
Energy: 1.4939908714215477
Energy: 1.3575384132320465
Energy: 1.8051562105750611
Energy: 1.4939908714134054
Energy: 1.3575384132320465
Energy: 1.8051562105750611
Energy: 1.4939908714134054
Energy: 1.3575384132279753
Energy: 1.5898034341573186
Energy: 1.4973640457244983
Energy: 1.4826202855114046
Energy: 1.5898034341552831
Energy: 1.4437233641059781
Energy: 1.4282380702380884
Energy: 1.5898034341532474
Energy: 1.4973640457244983
Energy: 1.4826202855317228
Energy: 1.5898034341552831
Energy: 1.9979665094791847
Energy: 1.3923302641790252
Energy: 1.5100628473565703
Energy: 1.997966509477149
Energy: 1.3923302641790252
Energy: 1.5100628473586057
Energy: 1.997966509477149
Energy: 1.3923302641790252
Energy: 1.5100628473606414
Energy: 1.9979665094791847
Energy: 1.4477463367950698
Energy: 2.067385312501871
Energy: 1.4970250803361793
Energy: 1.4477463367950698
Energy: 2.0673853125059423
Energy: 1.4970250803382146
Energy: 1.4477463367950698
Energy: 2.0673853125059423
Energy: 1.4970250803361793
Energy: 1.4477463367930343
Energy: 1.5506330321903499
Energy: 1.3764830062683961
Energy: 2.0875234669843454
Energy: 1.5506330321883142
Energy: 1.371860864127672
Energy: 2.087523466982347
Energy: 1.5506330321944208
Energy: 1.3764830062704316
Energy: 2.087523466982347
Energy: 1.5506330321964563
Energy: 1.794696424563299
Energy: 1.5062703410811524
Energy: 1.561683833610689
Energy: 1.794696424563299
Energy: 1.5062703410811524
Energy: 1.561683833606618
Energy: 1.794696424563299
Energy: 1.5062703410811524
Energy: 1.561683833606618
Energy: 1.7946964245652972
Energy: 1.7001070480851617
Energy: 1.431827906076087
Energy: 1.403571727081566
Energy: 1.700107048074984
Energy: 1.4318279060781227
Energy: 1.4168857700134987
Energy: 1.7001070480770195
Energy: 1.431827906076087
Energy: 1.4035717270836015
Energy: 1.7001070480688774
Energy: 1.4329016781180628
Energy: 1.4843570574354858
Energy: 1.6837207283289357
Energy: 1.4329016781180628
Energy: 1.4843570574375213
Energy: 1.6837207294764562
Energy: 1.4329016781180628
Energy: 1.4843570574354858
Energy: 1.683720729026789
Energy: 1.4329016781180628
Energy: 1.4265973549917217
Energy: 1.5315747931538606
Energy: 1.599739727194168
Energy: 1.478584912495075
Energy: 1.531574793155896
Energy: 1.5997397271982392
Energy: 1.4265973549835795
Energy: 1.531574793155896
Energy: 1.5997397271982392
Energy: 1.4785849124930395

minimum gb energy = 1.3504128102795874 eV
minimum distance =  2.27434675681893 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.3313600034924418
Energy: 1.5081521497528985
Energy: 1.4578390648916317
Energy: 1.331360003495408
Energy: 1.5081521497603143
Energy: 1.4578390647249113
Energy: 1.3313600034931834
Energy: 1.5081521497469657
Energy: 1.4578390648405304
Energy: 1.331360003495408
Energy: 1.7124442617354223
Energy: 1.2811388797669814
Energy: 1.5489037458272994
Energy: 1.7124442617331976
Energy: 1.2811388797684646
Energy: 1.5489037458272994
Energy: 1.712444261733939
Energy: 1.2811388797669814
Energy: 1.5489037458272994
Energy: 1.712444261733939
Energy: 1.551919126755322
Energy: 1.2776242359933971
Energy: 1.7304168700338158
Energy: 1.5519191267568053
Energy: 1.2776242359926557
Energy: 1.7304168700352993
Energy: 1.5519191267530974
Energy: 1.2776242359941388
Energy: 1.7304168700345575
Energy: 1.5519191267560637
Energy: 1.4603118530771975
Energy: 1.6303898001686925
Energy: 1.6752469172335775
Energy: 1.4603118530757142
Energy: 1.6303897997232055
Energy: 1.6752469172335775
Energy: 1.4603118530764558
Energy: 1.6303898000404666
Energy: 1.6752469172350606
Energy: 1.4603118530757142
Energy: 1.5543457192799948
Energy: 1.3767090097401773
Energy: 1.9975880776592518
Energy: 1.5543457192785115
Energy: 1.3767090097394357
Energy: 1.9975880776577688
Energy: 1.5543457192792531
Energy: 1.3767090097409187
Energy: 1.9975880776592518
Energy: 1.5543457192785115
Energy: 1.5066342818333132
Energy: 1.6193946929359966
Energy: 1.3147487704987002
Energy: 1.5066342818340548
Energy: 1.619394692940446
Energy: 1.3147487705009249
Energy: 1.5066342818340548
Energy: 1.6193946929345135
Energy: 1.3147487704987002
Energy: 1.5066342818347964
Energy: 1.5409016280771644
Energy: 1.3756160012950682
Energy: 1.2758720836269721
Energy: 1.5409016280853218
Energy: 1.3756160012950682
Energy: 1.2758720836277138
Energy: 1.5409016281046028
Energy: 1.3756160012950682
Energy: 1.2758720836277138
Energy: 1.5409016281446481
Energy: 1.4424816261566253
Energy: 1.789435379183927
Energy: 1.653557297167239
Energy: 1.4424816261566253
Energy: 1.7894353791817026
Energy: 1.653557297167239
Energy: 1.4424816261536593
Energy: 1.789435379182444
Energy: 1.653557297168722
Energy: 1.4424816261566253
Energy: 1.8416956302181466
Energy: 1.5587371259439755
Energy: 1.3603594345099674
Energy: 1.8416956302285288
Energy: 1.5587371259432337
Energy: 1.360359434510709
Energy: 1.8416956302307532
Energy: 1.5587371259432337
Energy: 1.360359434510709
Energy: 1.8416956302255625
Energy: 1.4673999602329393
Energy: 1.5383673451513016
Energy: 1.6151730358171394
Energy: 1.4673999602336807
Energy: 1.5383673451505602
Energy: 1.6151730358149146
Energy: 1.4673999602344225
Energy: 1.538367345152785
Energy: 1.6151730358171394
Energy: 1.4673999602329393
Energy: 1.4058846227924018
Energy: 1.2733996621837453
Energy: 1.5273107689667886
Energy: 1.4058846227938853
Energy: 1.273399662168172
Energy: 1.527310768964564
Energy: 1.4058846227938853
Energy: 1.273399662180779
Energy: 1.52731076896753
Energy: 1.4058846227938853
Energy: 1.747369132985456
Energy: 1.3080583516806832
Energy: 1.5381556882738263
Energy: 1.747369132983973
Energy: 1.3080583516836497
Energy: 1.5381556882538037
Energy: 1.747369132983973
Energy: 1.3080583516821664
Energy: 1.5381556882634442
Energy: 1.747369132985456
Energy: 1.320269948624059
Energy: 1.7390000339125955
Energy: 1.3603283534876487
Energy: 1.32026994861516
Energy: 1.739000033918528
Energy: 1.3603283534876487
Energy: 1.3202699486129355
Energy: 1.7390000339111125
Energy: 1.360328353486907
Energy: 1.3202699486055194
Energy: 1.7380588289332168
Energy: 1.4117306335062785
Energy: 1.8502207891494453
Energy: 1.7380588289339585
Energy: 1.411730633503312
Energy: 1.8502207891494453
Energy: 1.7380588289339585
Energy: 1.4117306335040536
Energy: 1.8502207891501867
Energy: 1.7380588289347

minimum gb energy = 1.273399662168172 eV
minimum distance =  2.28846485425222 Angstroms
sigma value = 33