Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665045946836467
cohesive_energy=13.884706401845953
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.05218828843766161
Energy: 0.6194790585703253
Energy: 0.05218828843766161
Energy: 0.6194790585703253
Energy: 0.05218828843766161
Energy: 0.6194790585703253
Energy: 0.05218828843766161
Energy: 0.05354993876868476
Energy: 0.6720061344161453
Energy: 0.05354993876868476
Energy: 0.6720061344161453
Energy: 0.05354993876868476
Energy: 0.6720061344161453
Energy: 0.05354993876868476
Energy: 0.5113396311481286
Energy: 0.5959345784713759
Energy: 0.5113396311441468
Energy: 0.5959345784713759
Energy: 0.5113396311401649
Energy: 0.5959345784713759
Energy: 0.5113396311481286
Energy: 0.05354993876868476
Energy: 0.6720061344161453
Energy: 0.05354993876868476
Energy: 0.6720061344161453
Energy: 0.05354993876868476
Energy: 0.6720061344161453
Energy: 0.05354993876868476
Energy: 0.05218828843766161
Energy: 0.6194790585703253
Energy: 0.05218828843766161
Energy: 0.6194790585703253
Energy: 0.05218828843766161
Energy: 0.6194790585703253
Energy: 0.05218828843766161
Energy: 0.05354993876868476
Energy: 0.6720061344161453
Energy: 0.05354993877266669
Energy: 0.6720061344161453
Energy: 0.05354993876868476
Energy: 0.6720061344161453
Energy: 0.05354993876868476

minimum gb energy = 0.05218828843766161 eV
minimum distance =  2.47482469430862 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.6978043810126644
Energy: 2.0592963496806482
Energy: 1.6978043810126644
Energy: 2.0592963496758716
Energy: 1.6978043810126644
Energy: 2.0592963496806482
Energy: 1.6978043810126644
Energy: 1.5892009801191878
Energy: 1.5645446935567728
Energy: 1.5892009801191878
Energy: 1.564544693561726
Energy: 1.5892009801142344
Energy: 1.5645446935567728
Energy: 1.5892009801191878
Energy: 1.5021357964695454
Energy: 1.5383000453682167
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Energy: 1.5383000453682167
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Energy: 1.5383000453682167
Energy: 1.5021357964695454
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Energy: 1.4862594340169022
Energy: 1.6360795100589958
Energy: 1.4862594340218553
Energy: 1.6360795100589958
Energy: 1.4862594340169022
Energy: 1.4754144460462832
Energy: 1.6181615978871922
Energy: 1.4754144460462832
Energy: 1.6181615978871922
Energy: 1.4754144460462832
Energy: 1.6181615978919681
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Energy: 1.6616939402855175
Energy: 1.7157685331702912
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Energy: 1.6737458562951482
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Energy: 1.7155760324709388
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Energy: 1.5984539169012666
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Energy: 1.598453916906043
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Energy: 1.6633704383263377
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Energy: 1.6633704383213845
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Energy: 1.6633704383166084
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Energy: 1.5798565614250635
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Energy: 1.513403315688177
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Energy: 1.7481419946158352
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Energy: 1.506508335136225
Energy: 1.5387107354895122
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Energy: 1.506508335136225
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Energy: 1.5362503274991264
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Energy: 1.6590996817778267
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Energy: 1.659099681782603
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Energy: 1.649264937058582
Energy: 1.6851755696254753
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Energy: 1.6851755696254753
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Energy: 1.685175569620699
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Energy: 1.4637744859945694
Energy: 1.6088728524560811
Energy: 1.4637744859945694
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Energy: 1.6088728524560811
Energy: 1.4637744859945694
Energy: 1.6769789281544907
Energy: 1.6162254492979224
Energy: 1.6769789281497147
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Energy: 1.6162254492979224
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Energy: 1.5068742420192225
Energy: 1.5252885908195402
Energy: 1.5068742420192225
Energy: 1.5252885908243163
Energy: 1.5068742420192225
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Energy: 1.5549433696608854
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Energy: 1.5638776124844467
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Energy: 1.5011679120429122
Energy: 1.5956548221359066
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Energy: 1.5956548221311304
Energy: 1.5011679120379593
Energy: 1.5956548221311304
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Energy: 1.490634382568675
Energy: 1.6584265198814867
Energy: 1.490634382568675
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Energy: 1.490634382568675
Energy: 1.6584265198814867
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Energy: 1.6505275439918041
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Energy: 1.6505275439967573
Energy: 1.629239996952304
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Energy: 1.7467710029104995
Energy: 1.737834287995452
Energy: 1.7467710029104995
Energy: 1.7378342879906759
Energy: 1.7467710029055465
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Energy: 1.7467710029055465
Energy: 1.5414305709932792
Energy: 1.6292960216975099
Energy: 1.541430570988503
Energy: 1.629296021692557
Energy: 1.5414305709932792
Energy: 1.629296021692557
Energy: 1.5414305709932792
Energy: 1.6525348958450692
Energy: 1.6652136423488784
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Energy: 1.6652136423488784
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Energy: 1.6652136423441022
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Energy: 1.5045283232806619
Energy: 1.4989868307862877
Energy: 1.5045283232854385
Energy: 1.4989868307910639
Energy: 1.5045283232854385
Energy: 1.4989868307862877
Energy: 1.5045283232806619
Energy: 1.6114361569195235
Energy: 1.5724204933775543
Energy: 1.6114361569195235
Energy: 1.572420493372601
Energy: 1.6114361569147473
Energy: 1.572420493372601
Energy: 1.6114361569195235
Energy: 1.5459426786702781
Energy: 1.5728500368865277
Energy: 1.5459426786752313
Energy: 1.5728500368817515
Energy: 1.5459426786752313
Energy: 1.5728500368865277
Energy: 1.5459426786752313
Energy: 1.646992573350478
Energy: 1.6599105715513678
Energy: 1.6469925733554316
Energy: 1.6599105715513678
Energy: 1.6469925733554316
Energy: 1.6599105715513678
Energy: 1.6469925733554316
Energy: 1.5129663317675295
Energy: 1.6067074923064615
Energy: 1.5129663317675295
Energy: 1.6067074923064615
Energy: 1.512966331762576
Energy: 1.6067074923064615
Energy: 1.5129663317675295
Energy: 1.4986422002456465
Energy: 1.5940389142819602
Energy: 1.4986422002456465
Energy: 1.5940389142819602
Energy: 1.4986422002456465
Energy: 1.5940389142819602
Energy: 1.4986422002456465
Energy: 1.4865970192263673
Energy: 1.6253122303452996
Energy: 1.4865970192313203
Energy: 1.6253122303452996
Energy: 1.4865970192313203
Energy: 1.6253122303452996
Energy: 1.4865970192313203
Energy: 1.5419907809181785
Energy: 1.61466201819214
Energy: 1.541990780923132
Energy: 1.61466201819214
Energy: 1.541990780923132
Energy: 1.6146620181969167
Energy: 1.541990780923132

minimum gb energy = 1.4637744859945694 eV
minimum distance =  2.28778193870894 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.7629785050999687
Energy: 1.7482267468863606
Energy: 1.7629785050999687
Energy: 1.7482267468863606
Energy: 1.7629785050999687
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Energy: 1.7584003892270461
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Energy: 1.6176851208050933
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Energy: 1.563239265307896
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Energy: 1.563239265307896
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Energy: 1.563239265307896
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Energy: 1.7629785050999687
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Energy: 1.7482267468863606
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Energy: 1.577508666065325
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Energy: 1.5615263404709676
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Energy: 1.520112561776837
Energy: 1.4994585764562098
Energy: 1.6260105363679203
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Energy: 1.696135069740136
Energy: 1.6527557747581938
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Energy: 1.6527557747581938
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Energy: 1.6527557747581938
Energy: 1.6352529304116332
Energy: 1.7516277703579803
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Energy: 1.7516277703579803
Energy: 1.6352529304116332
Energy: 1.7516277703579803
Energy: 1.6352529304116332
Energy: 1.6943825957720566
Energy: 1.7580289302621657
Energy: 1.6943825957720566
Energy: 1.7580289302621657
Energy: 1.6943825957720566
Energy: 1.7580289302621657
Energy: 1.6943825957720566
Energy: 1.6827602929899868
Energy: 1.7589108439141297
Energy: 1.6827602929899868
Energy: 1.7589108439141297
Energy: 1.6827602929954084
Energy: 1.7589108439141297
Energy: 1.6827602929899868
Energy: 1.552712414093335
Energy: 1.594236691612481
Energy: 1.552712414093335
Energy: 1.594236691612481
Energy: 1.552712414093335
Energy: 1.594236691612481
Energy: 1.552712414093335
Energy: 1.5966910001311703
Energy: 1.6176851208050933
Energy: 1.5966910001311703
Energy: 1.6176851208050933
Energy: 1.5966910001311703
Energy: 1.6176851208105145
Energy: 1.5966910001311703
Energy: 1.5216534842265705
Energy: 1.593923043509803
Energy: 1.5216534842211489
Energy: 1.5939230435043816
Energy: 1.5216534842265705
Energy: 1.5939230435043816
Energy: 1.5216534842265705
Energy: 1.6207673982474629
Energy: 1.563239265307896
Energy: 1.6207673982474629
Energy: 1.563239265307896
Energy: 1.6207673982474629
Energy: 1.5632392653024745
Energy: 1.6207673982474629
Energy: 1.6959011458910374
Energy: 1.7438336739088536
Energy: 1.695901145896459
Energy: 1.7438336739088536
Energy: 1.6959011458910374
Energy: 1.7438336739088536
Energy: 1.6959011458910374
Energy: 1.612176439596217
Energy: 1.6137967020603392
Energy: 1.6121764396018392
Energy: 1.6137967020657609
Energy: 1.6121764396018392
Energy: 1.6137967020603392
Energy: 1.6121764396018392

minimum gb energy = 1.4994585764562098 eV
minimum distance =  2.27873392773717 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.5356763548629881
Energy: 1.5875497939804541
Energy: 1.5356763548622925
Energy: 1.587549793982425
Energy: 1.5356763548617127
Energy: 1.58754979398115
Energy: 1.5356763548617127
Energy: 1.550791629298183
Energy: 1.5415974271991777
Energy: 1.550791629300733
Energy: 1.5415974271998734
Energy: 1.550791629298183
Energy: 1.541597427200453
Energy: 1.5507916292994581
Energy: 1.4480683586691179
Energy: 1.5881237149682876
Energy: 1.4480683586709728
Energy: 1.5881237149682876
Energy: 1.4480683586696974
Energy: 1.5881237149663168
Energy: 1.4480683586709728
Energy: 1.6584383235484217
Energy: 1.6449857631781115
Energy: 1.6584383235477256
Energy: 1.644985763180662
Energy: 1.6584383235477256
Energy: 1.6449857631761406
Energy: 1.6584383235477256
Energy: 1.602034339446963
Energy: 1.7098831166671822
Energy: 1.6020343394456877
Energy: 1.7098831166666024
Energy: 1.6020343394463832
Energy: 1.7098831166666024
Energy: 1.602034339446963
Energy: 1.5637421509000307
Energy: 1.6932407737659507
Energy: 1.5637421508987555
Energy: 1.6932407737659507
Energy: 1.5637421508993352
Energy: 1.6932407737659507
Energy: 1.5637421509000307
Energy: 1.594154510413769
Energy: 1.692565589031119
Energy: 1.5941545104124937
Energy: 1.692565589031119
Energy: 1.594154510413769
Energy: 1.6925655890318148
Energy: 1.5941545104106392
Energy: 1.6265184000886774
Energy: 1.6778787752248847
Energy: 1.626518400091228
Energy: 1.6778787752248847
Energy: 1.6265184000906483
Energy: 1.677878775224189
Energy: 1.6265184000886774
Energy: 1.6074056256822657
Energy: 1.6376917999604346
Energy: 1.6074056256822657
Energy: 1.6376917999617095
Energy: 1.6074056256829614
Energy: 1.6376917999617095
Energy: 1.6074056256842366
Energy: 1.4369113195044934
Energy: 1.5796882260441913
Energy: 1.436911319503798
Energy: 1.5796882260434957
Energy: 1.4369113195044934
Energy: 1.5796882260429161
Energy: 1.4369113195044934
Energy: 1.507269500622691
Energy: 1.5975553513304226
Energy: 1.5072695006232706
Energy: 1.5975553513297271
Energy: 1.5072695006265164
Energy: 1.5975553513297271
Energy: 1.5072695006245456
Energy: 1.7084424045449587
Energy: 1.70304773974406
Energy: 1.7084424045455382
Energy: 1.7030477397453352
Energy: 1.7084424045468134
Energy: 1.7030477397434802
Energy: 1.7084424045468134
Energy: 1.6379452159208292
Energy: 1.6691567251080226
Energy: 1.6379452159182786
Energy: 1.6691567251074433
Energy: 1.6379452159195538
Energy: 1.6691567251080226
Energy: 1.637945215918974
Energy: 1.537895351558688
Energy: 1.616714250656115
Energy: 1.5378953515593834
Energy: 1.6167142506554195
Energy: 1.5378953515593834
Energy: 1.6167142506548398
Energy: 1.5378953515581084
Energy: 1.6333982684091142
Energy: 1.7539067030313655
Energy: 1.6333982684091142
Energy: 1.753906703030786
Energy: 1.6333982684103896
Energy: 1.753906703030786
Energy: 1.6333982684103896
Energy: 1.5375480601183835
Energy: 1.6400706493579122
Energy: 1.5375480601196585
Energy: 1.6400706493579122
Energy: 1.5375480601176879
Energy: 1.6400706493586081
Energy: 1.5375480601196585
Energy: 1.5214915162264733
Energy: 1.5426059705647344
Energy: 1.5214915162245024
Energy: 1.5426059705653141
Energy: 1.5214915162239226
Energy: 1.5426059705634592
Energy: 1.5214915162257778
Energy: 1.4597309835395895
Energy: 1.5843066692390761
Energy: 1.4597309835415604
Energy: 1.5843066692390761
Energy: 1.4597309835408647
Energy: 1.584306669237801
Energy: 1.4597309835402852
Energy: 1.68974246412478
Energy: 1.7052322489608298
Energy: 1.7427549846036843
Energy: 1.7052322489595548
Energy: 1.6765859118287065
Energy: 1.7052322489615255
Energy: 1.676585911828127
Energy: 1.6334387323912238
Energy: 1.6477835147155993
Energy: 1.6334387323912238
Energy: 1.647783514716295
Energy: 1.6334387323912238
Energy: 1.647783514716295
Energy: 1.6334387323918034
Energy: 1.5718571267936479
Energy: 1.5864804807226707
Energy: 1.5718571267923727
Energy: 1.586480480721975
Energy: 1.5718571267929522
Energy: 1.586480480721975
Energy: 1.5718571267936479
Energy: 1.6099947728588646
Energy: 1.6879376089698575
Energy: 1.6099947728588646
Energy: 1.687937608969162
Energy: 1.6099947728588646
Energy: 1.6879376089678866
Energy: 1.6099947728588646
Energy: 1.6220757310573573
Energy: 1.592157391956236
Energy: 1.683161955575652
Energy: 1.5921573919568153
Energy: 1.5939778492338572
Energy: 1.5921573919568153
Energy: 1.5939778492351324
Energy: 1.6197464243439494
Energy: 1.680059820743635
Energy: 1.6197464243432538
Energy: 1.6800598207429394
Energy: 1.6197464243458042
Energy: 1.6800598207429394
Energy: 1.6197464243439494
Energy: 1.4529154437515
Energy: 1.5907904122052148
Energy: 1.4529154437496452
Energy: 1.5907904122052148
Energy: 1.4529154437502247
Energy: 1.590790412204635
Energy: 1.4529154437509202
Energy: 1.5836070765783614
Energy: 1.6996461228909374
Energy: 1.583607076578941
Energy: 1.6996461228896622
Energy: 1.5836070765796366
Energy: 1.6996461228909374
Energy: 1.583607076577666
Energy: 1.6545470281314847
Energy: 1.6429642836459797
Energy: 1.6545470281302093
Energy: 1.6429642836452838
Energy: 1.618579070104664
Energy: 1.6429642836465592
Energy: 1.6185790701040843
Energy: 1.659472522348126
Energy: 1.7653563236404524
Energy: 1.6594725223494013
Energy: 1.7653563236430028
Energy: 1.659472522348126
Energy: 1.7653563236417278
Energy: 1.6594725223494013
Energy: 1.5734115309790924
Energy: 1.5846890026624874
Energy: 1.5734115309796721
Energy: 1.5846890026624874
Energy: 1.5734115309783967
Energy: 1.5846890026637626
Energy: 1.5734115309796721
Energy: 1.6238366728239648
Energy: 1.7475712595419237
Energy: 1.6238366728232692
Energy: 1.747571259541344
Energy: 1.6238366728226898
Energy: 1.7475712595406485
Energy: 1.6238366728232692
Energy: 1.6402751683110288
Energy: 1.6436145932711068
Energy: 1.6402751683097534
Energy: 1.6436145932716866
Energy: 1.640275168312304
Energy: 1.6436145932711068
Energy: 1.6402751683110288
Energy: 1.484831900652983
Energy: 1.5873294553699349
Energy: 1.4848319006535629
Energy: 1.5873294553692392
Energy: 1.484831900652983
Energy: 1.5873294553699349
Energy: 1.4848319006522877
Energy: 1.4616158775280406
Energy: 1.4824316003390614
Energy: 1.461615877527345
Energy: 1.4824316003403366
Energy: 1.4616158775280406
Energy: 1.4824316003397568
Energy: 1.4616158775286203
Energy: 1.677141448293464
Energy: 1.7095509629247894
Energy: 1.677141448293464
Energy: 1.709550962925369
Energy: 1.677141448292189
Energy: 1.7095509629247894
Energy: 1.677141448293464
Energy: 1.6890826572084054
Energy: 1.7259288291836152
Energy: 1.6890826572096804
Energy: 1.7259288291830355
Energy: 1.6890826572096804
Energy: 1.7259288291830355
Energy: 1.6890826572096804
Energy: 1.5491406796311573
Energy: 1.616720611834577
Energy: 1.5491406796304616
Energy: 1.6167206118352724
Energy: 1.549140679629882
Energy: 1.6167206118358521
Energy: 1.549140679628607

minimum gb energy = 1.436911319503798 eV
minimum distance =  2.2512878700512 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.5233323676738504
Energy: 1.6250015262472177
Energy: 1.5233323676746713
Energy: 1.6250015262480386
Energy: 1.5233323676746713
Energy: 1.6250015262472177
Energy: 1.5233323676716615
Energy: 1.588306348756952
Energy: 1.4299164603737209
Energy: 1.588306348755447
Energy: 1.4299164603737209
Energy: 1.588306348755447
Energy: 1.4299164603737209
Energy: 1.588306348755447
Energy: 1.503904210085989
Energy: 1.4636331458850589
Energy: 1.5039042100874942
Energy: 1.463633145883554
Energy: 1.5039042100889992
Energy: 1.46363314588588
Energy: 1.503904210085989
Energy: 1.6488366619846528
Energy: 1.4047866602253418
Energy: 1.648836661983969
Energy: 1.4047866602246577
Energy: 1.648836661986158
Energy: 1.4047866602246577
Energy: 1.6488366619846528
Energy: 1.6037678700105509
Energy: 1.4339663094479738
Energy: 1.603767870008225
Energy: 1.4339663094479738
Energy: 1.6037678700075408
Energy: 1.4339663094494788
Energy: 1.603767870008225
Energy: 1.6392228392202868
Energy: 1.488158542332691
Energy: 1.6392228392196024
Energy: 1.4881585423318702
Energy: 1.6392228392211075
Energy: 1.4881585423333754
Energy: 1.6392228392202868
Energy: 1.68321784956133
Energy: 1.5459479009813573
Energy: 1.6832178495590042
Energy: 1.5459479009813573
Energy: 1.6832178495590042
Energy: 1.5459479009828623
Energy: 1.683217849557499
Energy: 1.5721130133373042
Energy: 1.4991127807627695
Energy: 1.5721130133396302
Energy: 1.4991127807627695
Energy: 1.5721130133396302
Energy: 1.4991127807612645
Energy: 1.5721130133366201
Energy: 1.7081494608306402
Energy: 1.5087485575637969
Energy: 1.7081494608321452
Energy: 1.5087485575644812
Energy: 1.7081494608313241
Energy: 1.5087485575629762
Energy: 1.7081494608306402
Energy: 1.4972833519272848
Energy: 1.6465259320783283
Energy: 1.4972833519287898
Energy: 1.6465259320783283
Energy: 1.497283351924275
Energy: 1.6465259320783283
Energy: 1.497283351927969
Energy: 1.5913643191044013
Energy: 1.5873549449031934
Energy: 1.5913643191050852
Energy: 1.5873549448993622
Energy: 1.5913643191065905
Energy: 1.5873549449008673
Energy: 1.5913643191065905
Energy: 1.563995881550132
Energy: 1.4369476505439196
Energy: 1.563995881549448
Energy: 1.4369476505424146
Energy: 1.563995881550132
Energy: 1.4369476505447405
Energy: 1.563995881550132
Energy: 1.6659560439469367
Energy: 1.4096385218531562
Energy: 1.6659560439477576
Energy: 1.409638521852335
Energy: 1.6659560439492627
Energy: 1.4096385218531562
Energy: 1.6659560439499466
Energy: 1.4971845724520332
Energy: 1.4420041197591027
Energy: 1.4971845724520332
Energy: 1.4420041197582816
Energy: 1.4971845724543589
Energy: 1.4420041197582816
Energy: 1.497184572452854
Energy: 1.5797139617959512
Energy: 1.6164549717414234
Energy: 1.57971396178911
Energy: 1.6164549717399184
Energy: 1.579713961793625
Energy: 1.6164549717406027
Energy: 1.5797139617876053
Energy: 1.4929099214472537
Energy: 1.4971008657818055
Energy: 1.492909921444928
Energy: 1.4971008657833107
Energy: 1.4929099214457486
Energy: 1.4971008657803004
Energy: 1.4929099214457486
Energy: 1.67543051269712
Energy: 1.4888537778020496
Energy: 1.6754305127001303
Energy: 1.4888537778005446
Energy: 1.6754305126994464
Energy: 1.4888537778020496
Energy: 1.6754305126979414
Energy: 1.577360584559485
Energy: 1.5118949736325018
Energy: 1.577360584559485
Energy: 1.511894973634007
Energy: 1.57736058456099
Energy: 1.511894973633186
Energy: 1.57736058455798
Energy: 1.5914324113406895
Energy: 1.5471270442144636
Energy: 1.5914324113443834
Energy: 1.5471270442084433
Energy: 1.5914324113443834
Energy: 1.5471270442136427
Energy: 1.5914324113398686
Energy: 1.4974022250710302
Energy: 1.6392341676719575
Energy: 1.49740222506802
Energy: 1.6392341676719575
Energy: 1.4974022250710302
Energy: 1.6392341676689473
Energy: 1.497402225069525
Energy: 1.6579096859852518
Energy: 1.4263560263337032
Energy: 1.657909685986073
Energy: 1.4263560263337032
Energy: 1.6579096859852518
Energy: 1.426356026333019
Energy: 1.657909685984568
Energy: 1.5614513205817964
Energy: 1.4224814537868389
Energy: 1.5614513205826173
Energy: 1.422481453786018
Energy: 1.5614513205802913
Energy: 1.4224814537853336
Energy: 1.5614513205817964
Energy: 1.6311746880864608
Energy: 1.476833323948618
Energy: 1.631174688087282
Energy: 1.4768333239493021
Energy: 1.631174688089471
Energy: 1.4768333239471128
Energy: 1.631174688087282
Energy: 1.6004630230343564
Energy: 1.4323766646374736
Energy: 1.6004630230366823
Energy: 1.4323766646374736
Energy: 1.6004630230358614
Energy: 1.4323766646359684
Energy: 1.6004630230366823
Energy: 1.6221526927408463
Energy: 1.4859051480742462
Energy: 1.6221526927393413
Energy: 1.4859051480750674
Energy: 1.6221526927401624
Energy: 1.4859051480757512
Energy: 1.6221526927393413
Energy: 1.589064368246958
Energy: 1.485123681950775
Energy: 1.5890643682477792
Energy: 1.4851236819515958
Energy: 1.5890643682477792
Energy: 1.4851236819500908
Energy: 1.589064368246958
Energy: 1.5623443388280158
Energy: 1.5451079866116775
Energy: 1.562344338827195
Energy: 1.5451079866131827
Energy: 1.5623443388265108
Energy: 1.5451079866123616
Energy: 1.562344338827195
Energy: 1.5884556587004617
Energy: 1.4950184307369687
Energy: 1.5884556586982723
Energy: 1.4950184307384735
Energy: 1.5884556587012826
Energy: 1.4950184307369687
Energy: 1.5884556586989567
Energy: 1.5233323676716615
Energy: 1.6250015262487225
Energy: 1.5233323676738504
Energy: 1.6250015262495436
Energy: 1.5233323676731663
Energy: 1.6250015262495436
Energy: 1.5233323676731663
Energy: 1.588306348755447
Energy: 1.4299164603745418
Energy: 1.5883063487562679
Energy: 1.4299164603745418
Energy: 1.5883063487577729
Energy: 1.4299164603730365
Energy: 1.588306348755447

minimum gb energy = 1.4047866602246577 eV
minimum distance =  2.2428270306104 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.6045939947346992
Energy: 1.6038568374742879
Energy: 1.604593994735613
Energy: 1.6038568374733742
Energy: 1.604593994735613
Energy: 1.6038568374742879
Energy: 1.6045939947365264
Energy: 1.479899116061427
Energy: 1.3898111787828689
Energy: 1.4798991160623405
Energy: 1.3898111787837821
Energy: 1.4798991160605135
Energy: 1.3898111787837821
Energy: 1.4798991160577728
Energy: 1.645949374101432
Energy: 1.5119027899518478
Energy: 1.645949374101432
Energy: 1.5119027899582425
Energy: 1.645949374101432
Energy: 1.5119027899600694
Energy: 1.6459493741005182
Energy: 1.568109612624576
Energy: 1.3879558400104204
Energy: 1.5681096126291434
Energy: 1.3879558400113337
Energy: 1.56810961262823
Energy: 1.3879558400122474
Energy: 1.56810961262823
Energy: 1.3495291514900623
Energy: 1.5579975938417867
Energy: 1.3495291514900623
Energy: 1.5579975938417867
Energy: 1.3495291514900623
Energy: 1.5579975938408732
Energy: 1.3495291514882353
Energy: 1.3795765752616507
Energy: 1.411669408626024
Energy: 1.3795765752607372
Energy: 1.4116694086251105
Energy: 1.3795765752598237
Energy: 1.411669408626024
Energy: 1.3795765752598237
Energy: 1.3672994307526456
Energy: 1.6729991652220186
Energy: 1.3672994307535593
Energy: 1.6729991652174512
Energy: 1.3672994307535593
Energy: 1.6729991652201917
Energy: 1.3672994307535593
Energy: 1.356632180548884
Energy: 1.3757634250221236
Energy: 1.3566321805470567
Energy: 1.3757634250212099
Energy: 1.356632180548884
Energy: 1.3757634250230368
Energy: 1.356632180548884
Energy: 1.4091717420464396
Energy: 1.3619964643050817
Energy: 1.409171742045526
Energy: 1.3619964643050817
Energy: 1.4091717420464396
Energy: 1.3619964643041682
Energy: 1.409171742045526
Energy: 1.4012507644810905
Energy: 1.449514997806311
Energy: 1.4012507644810905
Energy: 1.449514997806311
Energy: 1.4012507644792633
Energy: 1.449514997806311
Energy: 1.4012507644810905
Energy: 1.3655242708986062
Energy: 1.3856678081839116
Energy: 1.3655242708976927
Energy: 1.3856678081811709
Energy: 1.3655242708976927
Energy: 1.3856678081820846
Energy: 1.3655242708967792
Energy: 1.3527935241053082
Energy: 1.4214737220799976
Energy: 1.3527935241053082
Energy: 1.4214737220799976
Energy: 1.3527935241053082
Energy: 1.4214737220818248
Energy: 1.3527935241043945
Energy: 1.3949178892535667
Energy: 1.3743794065870967
Energy: 1.3949178892544802
Energy: 1.3743794065861832
Energy: 1.3949178892544802
Energy: 1.3743794065870967
Energy: 1.3949178892544802
Energy: 1.4517761853191589
Energy: 1.4803840311997343
Energy: 1.4517761853136775
Energy: 1.4803840311979073
Energy: 1.451776185312764
Energy: 1.4803840311997343
Energy: 1.4517761853155045
Energy: 1.4836196958278984
Energy: 1.3731491044983286
Energy: 1.483619695826985
Energy: 1.3731491045001556
Energy: 1.483619695826985
Energy: 1.3731491045001556
Energy: 1.483619695828812
Energy: 1.5658698656713879
Energy: 1.529535223268056
Energy: 1.5658698656723014
Energy: 1.5295352232707966
Energy: 1.5658698656741286
Energy: 1.5295352232781048
Energy: 1.5658698656723014
Energy: 1.4567167255426867
Energy: 1.3813293099847461
Energy: 1.4567167255426867
Energy: 1.3813293099829194
Energy: 1.4567167255426867
Energy: 1.381329309981092
Energy: 1.4567167255436002
Energy: 1.5847944630560855
Energy: 1.477883365366827
Energy: 1.5847944630551722
Energy: 1.4778833653622596
Energy: 1.5847944630551722
Energy: 1.4778833653686543
Energy: 1.5847944630560855
Energy: 1.468952250850712
Energy: 1.3758189384350443
Energy: 1.4689522508497985
Energy: 1.3758189384350443
Energy: 1.4689522508479715
Energy: 1.3758189384350443
Energy: 1.468952250850712
Energy: 1.3523710861510931
Energy: 1.378975438003926
Energy: 1.3523710861510931
Energy: 1.3789754380048396
Energy: 1.3523710861510931
Energy: 1.3789754380030124
Energy: 1.3523710861510931
Energy: 1.391627384932991
Energy: 1.505580757919353
Energy: 1.3916273849320775
Energy: 1.5055807579202665
Energy: 1.391627384932991
Energy: 1.5055807579166125
Energy: 1.3916273849320775
Energy: 1.395897229835681
Energy: 1.49840972988305
Energy: 1.395897229835681
Energy: 1.4984097298821366
Energy: 1.3958972298365946
Energy: 1.4984097298848769
Energy: 1.395897229835681
Energy: 1.3784035564534396
Energy: 1.3801023525807499
Energy: 1.3784035564534396
Energy: 1.3801023525816636
Energy: 1.3784035564516126
Energy: 1.3801023525807499
Energy: 1.3784035564534396
Energy: 1.3816888406294656
Energy: 1.3805038023209208
Energy: 1.381688840628552
Energy: 1.3805038023190939
Energy: 1.3816888406294656
Energy: 1.3805038023200074
Energy: 1.3816888406294656
Energy: 1.412222330815888
Energy: 1.4460311520226452
Energy: 1.4122223308149744
Energy: 1.4460311520208182
Energy: 1.4122223308149744
Energy: 1.446031152021732
Energy: 1.412222330815888

minimum gb energy = 1.3495291514882353 eV
minimum distance =  2.30747388349151 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.3214252152268393
Energy: 1.5509697686532447
Energy: 1.3214252152218333
Energy: 1.5509697686430481
Energy: 1.3214252152268393
Energy: 1.5509697686532447
Energy: 1.3214252152268393
Energy: 1.2790376634542038
Energy: 1.2115172563174696
Energy: 1.2790376634542038
Energy: 1.2115172563224752
Energy: 1.2790376634593947
Energy: 1.2115172563224752
Energy: 1.2790376634542038
Energy: 1.3303470569710487
Energy: 1.2401561435116542
Energy: 1.3303470569710487
Energy: 1.2401561435320476
Energy: 1.3303470569710487
Energy: 1.2401561435218507
Energy: 1.33034705697624
Energy: 1.2313389891884154
Energy: 1.2560016339077273
Energy: 1.2313389891884154
Energy: 1.2560016339077273
Energy: 1.2313389891884154
Energy: 1.2560016339077273
Energy: 1.2313389891834097
Energy: 1.2515446406930162
Energy: 1.5072833783261796
Energy: 1.2515446406930162
Energy: 1.5072833783313706
Energy: 1.2515446406930162
Energy: 1.5072833783261796
Energy: 1.2515446406930162
Energy: 1.2348149593528426
Energy: 1.230383475338157
Energy: 1.2348149593528426
Energy: 1.230383475338157
Energy: 1.2348149593528426
Energy: 1.230383475338157
Energy: 1.2348149593528426
Energy: 1.2304036489273709
Energy: 1.3755689293140543
Energy: 1.2304036489273709
Energy: 1.3755689293140543
Energy: 1.2304036489273709
Energy: 1.3755689293190596
Energy: 1.2304036489273709
Energy: 1.2405235940991621
Energy: 1.182209591932749
Energy: 1.2405235940941564
Energy: 1.1822095919377547
Energy: 1.2405235940941564
Energy: 1.182209591932749
Energy: 1.2405235940941564
Energy: 1.2028077167959228
Energy: 1.3091692481877004
Energy: 1.2028077167909172
Energy: 1.3091692481877004
Energy: 1.2028077167959228
Energy: 1.3091692481877004
Energy: 1.2028077167909172
Energy: 1.250936447617949
Energy: 1.2089010351943652
Energy: 1.2509364476129434
Energy: 1.2089010351893594
Energy: 1.2509364476077522
Energy: 1.2089010351893594
Energy: 1.2509364476129434
Energy: 1.2201588853194558
Energy: 1.2276722006614413
Energy: 1.2201588853194558
Energy: 1.2276722006614413
Energy: 1.2201588853142649
Energy: 1.2276722006614413
Energy: 1.2201588853194558
Energy: 1.2450587206943435
Energy: 1.1977688439528942
Energy: 1.2450587206943435
Energy: 1.1977688439477032
Energy: 1.245058720689338
Energy: 1.1977688439477032
Energy: 1.245058720684147
Energy: 1.1636273173634886
Energy: 1.440029334479392
Energy: 1.163627317358483
Energy: 1.4400293344691955
Energy: 1.163627317358483
Energy: 1.440029334479392
Energy: 1.163627317358483
Energy: 1.2419708233623152
Energy: 1.2412723022944059
Energy: 1.2419708233623152
Energy: 1.2412723022944059
Energy: 1.2419708233675062
Energy: 1.2412723022944059
Energy: 1.2419708233623152
Energy: 1.1921508169140806
Energy: 1.243899504190551
Energy: 1.1921508169242774
Energy: 1.243899504195742
Energy: 1.1921508169192718
Energy: 1.243899504190551
Energy: 1.1921508169242774
Energy: 1.2909827775499847
Energy: 1.4121241288645936
Energy: 1.2909827775551759
Energy: 1.4121241288645936
Energy: 1.2909827775551759
Energy: 1.4121241288594026
Energy: 1.2909827775551759
Energy: 1.1637645331716429
Energy: 1.148318303412515
Energy: 1.1637645331664517
Energy: 1.1483183034177062
Energy: 1.1637645331716429
Energy: 1.148318303412515
Energy: 1.1637645331716429
Energy: 1.2778602999633253
Energy: 1.262397633116622
Energy: 1.2778602999633253
Energy: 1.2623976331216273
Energy: 1.2778602999583197
Energy: 1.262397633116622
Energy: 1.2778602999583197
Energy: 1.215350402779461
Energy: 1.2042330475311922
Energy: 1.215350402779461
Energy: 1.2042330475209957
Energy: 1.215350402779461
Energy: 1.2042330475361978
Energy: 1.215350402779461
Energy: 1.1925849680380127
Energy: 1.2659994695473111
Energy: 1.1925849680328215
Energy: 1.2659994695523167
Energy: 1.1925849680380127
Energy: 1.2659994695421202
Energy: 1.1925849680380127
Energy: 1.2447415377670943
Energy: 1.1482495567603186
Energy: 1.2447415377720998
Energy: 1.1482495567603186
Energy: 1.244741537777291
Energy: 1.1482495567603186
Energy: 1.2447415377720998
Energy: 1.323032352694213
Energy: 1.259209534758545
Energy: 1.323032352694213
Energy: 1.259209534758545
Energy: 1.3230323526892076
Energy: 1.259209534758545
Energy: 1.323032352694213
Energy: 1.218780670832516
Energy: 1.2401739112067405
Energy: 1.218780670832516
Energy: 1.2401739112067405
Energy: 1.218780670832516
Energy: 1.2401739112119314
Energy: 1.218780670832516
Energy: 1.245899220202002
Energy: 1.3633636049013753
Energy: 1.2458992201968113
Energy: 1.3633636048961844
Energy: 1.2458992201968113
Energy: 1.3633636048961844
Energy: 1.245899220202002
Energy: 1.3494680235676018
Energy: 1.2197283737327684
Energy: 1.3494680235676018
Energy: 1.2197283737277627
Energy: 1.3494680235676018
Energy: 1.2197283737277627
Energy: 1.3494680235676018
Energy: 1.3617114243837982
Energy: 1.2459165097912055
Energy: 1.3617114243990003
Energy: 1.2459165097861997
Energy: 1.3617114244041915
Energy: 1.2459165097861997
Energy: 1.3617114244041915
Energy: 1.2814226378317273
Energy: 1.354305001144366
Energy: 1.2814226378317273
Energy: 1.3543050011393607
Energy: 1.2814226378317273
Energy: 1.3543050011495572
Energy: 1.2814226378317273
Energy: 1.2997720995124349
Energy: 1.4379668077083758
Energy: 1.2997720995074293
Energy: 1.43796680770337
Energy: 1.2997720995074293
Energy: 1.4379668077083758
Energy: 1.2997720995074293
Energy: 1.3759515199394226
Energy: 1.2507262990525494
Energy: 1.3759515199394226
Energy: 1.2507262990525494
Energy: 1.3759515199394226
Energy: 1.2507262990525494
Energy: 1.3759515199394226
Energy: 1.3474206493266638
Energy: 1.2473753218574841
Energy: 1.3474206493216583
Energy: 1.2473753218574841
Energy: 1.3474206493216583
Energy: 1.2473753218574841
Energy: 1.3474206493216583
Energy: 1.2640893927514725
Energy: 1.4014476512698395
Energy: 1.2640893927616692
Energy: 1.4014476512698395
Energy: 1.2640893927616692
Energy: 1.4014476512698395
Energy: 1.264089392756478
Energy: 1.2460198722753122
Energy: 1.4328564034293285
Energy: 1.246019872280503
Energy: 1.4328564034293285
Energy: 1.2460198722753122
Energy: 1.4328564034293285
Energy: 1.2460198722753122
Energy: 1.3219520963201807
Energy: 1.225558447849476
Energy: 1.3219520963355682
Energy: 1.225558447849476
Energy: 1.3219520963253717
Energy: 1.225558447844285
Energy: 1.3219520963201807
Energy: 1.309655293859203
Energy: 1.2601752743707582
Energy: 1.3096552938491917
Energy: 1.2601752743759491
Energy: 1.309655293859203
Energy: 1.2601752743759491
Energy: 1.3096552938693997
Energy: 1.2332882518361972
Energy: 1.3848273407796958
Energy: 1.2332882518361972
Energy: 1.3848273407796958
Energy: 1.2332882518361972
Energy: 1.3848273407745046
Energy: 1.2332882518361972
Energy: 1.1791671108421633
Energy: 1.3525288557586783
Energy: 1.1791671108421633
Energy: 1.3525288557586783
Energy: 1.1791671108421633
Energy: 1.3525288557586783
Energy: 1.1791671108421633
Energy: 1.4247335707932574
Energy: 1.1665396736619384
Energy: 1.4247335707932574
Energy: 1.1665396736619384
Energy: 1.4247335707932574
Energy: 1.1665396736619384
Energy: 1.4247335707882518
Energy: 1.2597703181238404
Energy: 1.2534437583004945
Energy: 1.2597703181188349
Energy: 1.2534437583004945
Energy: 1.2597703181238404
Energy: 1.2534437583004945
Energy: 1.2597703181238404
Energy: 1.2077906404829508
Energy: 1.2208690542411627
Energy: 1.2077906404829508
Energy: 1.2208690542411627
Energy: 1.2077906404879564
Energy: 1.2208690542463536
Energy: 1.2077906404829508
Energy: 1.1585131364533476
Energy: 1.4366335399972823
Energy: 1.1585131364481567
Energy: 1.4366335399922765
Energy: 1.1585131364533476
Energy: 1.4366335399972823
Energy: 1.1585131364533476
Energy: 1.2209543957198876
Energy: 1.1772438237344465
Energy: 1.2209543957198876
Energy: 1.1772438237344465
Energy: 1.2209543957198876
Energy: 1.1772438237344465
Energy: 1.2209543957198876
Energy: 1.2307385085967133
Energy: 1.1627419262413692
Energy: 1.2307385085967133
Energy: 1.1627419262465601
Energy: 1.2307385085967133
Energy: 1.1627419262465601
Energy: 1.2307385085967133
Energy: 1.2044834207787223
Energy: 1.418741506072728
Energy: 1.2044834207787223
Energy: 1.418741506072728
Energy: 1.2044834207787223
Energy: 1.418741506072728
Energy: 1.2044834207787223
Energy: 1.1580257389077904
Energy: 1.1441640882303463
Energy: 1.1580257389077904
Energy: 1.1441640882303463
Energy: 1.1580257389077904
Energy: 1.1441640882303463
Energy: 1.1580257389077904
Energy: 1.2200955847825294
Energy: 1.17909847145726
Energy: 1.2200955847825294
Energy: 1.17909847145726
Energy: 1.2200955847773383
Energy: 1.179098471452069
Energy: 1.2200955847825294

minimum gb energy = 1.1441640882303463 eV
minimum distance =  2.28794868414346 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 2.893385615492905
Energy: 1.4321041661928957
Energy: 2.5795664624408867
Energy: 1.4321041661928957
Energy: 2.580620658891747
Energy: 1.4321041661917462
Energy: 2.5805920885481437
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955440469
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 3.3472919682337143
Energy: 1.4321041661940452
Energy: 3.3472919682302655
Energy: 1.4321041661940452
Energy: 3.347291968236013
Energy: 1.4321041661917462
Energy: 2.893385615492905
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955440469
Energy: 0.41049109116490495
Energy: 0.5557449955428975
Energy: 3.3472919683002798
Energy: 1.4321041661917462
Energy: 2.893385615490606
Energy: 1.4321041661928957
Energy: 2.8933856154917557
Energy: 1.4321041661917462
Energy: 3.1696653422145125
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955417479
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955440469
Energy: 2.893385615497503
Energy: 1.4321041661928957
Energy: 2.638973938364738
Energy: 1.4321041661917462
Energy: 2.538681624816181
Energy: 1.4321041661917462
Energy: 2.5386931962668853
Energy: 0.5557449955428975
Energy: 0.41049109116490495
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955417479
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 3.3472919682325646
Energy: 1.4321041661928957
Energy: 3.347291968247508
Energy: 1.4321041661928957
Energy: 2.8933856154940547
Energy: 1.4321041661928957
Energy: 2.5812614024118834
Energy: 0.5557449955440469
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.41049109116720384
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 2.893385615488307
Energy: 1.4321041661928957
Energy: 3.169665342215662
Energy: 1.4321041661928957
Energy: 2.5386966628455716
Energy: 1.4321041661928957
Energy: 2.6388077773446597
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955440469
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955440469
Energy: 2.538613503905456
Energy: 1.4321041661940452
Energy: 2.538614113214953
Energy: 1.4321041661940452
Energy: 2.5389981885980677
Energy: 1.4321041661917462
Energy: 2.5386745490666685
Energy: 0.5557449955440469
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955440469
Energy: 3.169665342217961
Energy: 1.4321041661940452
Energy: 2.6389674118346518
Energy: 1.4321041661917462
Energy: 2.5386967814402635
Energy: 1.4321041661917462
Energy: 2.538676133338261
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 2.638996691157561
Energy: 1.4321041661917462
Energy: 2.6390881432541056
Energy: 1.4321041661928957
Energy: 2.53860958521276
Energy: 1.4321041661917462
Energy: 2.538689183896114
Energy: 0.5557449955428975
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 0.41049109116720384
Energy: 0.5557449955417479
Energy: 0.4104910911660544
Energy: 0.5557449955428975
Energy: 2.538621398120043
Energy: 1.4321041661928957
Energy: 2.5385959737090813
Energy: 1.4321041661928957
Energy: 2.5386753977956515
Energy: 1.4321041661928957
Energy: 2.538612354144373

minimum gb energy = 0.41049109116490495 eV
minimum distance =  2.22192069177964 Angstroms
sigma value = 23