Model name: model_name=EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147414512932301
cohesive_energy=6.897751515014914
mass=95.95
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: -0.03216188 eV

========================================
theta = 0.0
========================================

Energy: 0.021546269379289468
Energy: 0.4242880639536887
Energy: 0.021546269379289468
Energy: 0.42428806395402646
Energy: 0.021546269379289468
Energy: 0.42428806395402646
Energy: 0.021546269379289468
Energy: 0.022215980718669464
Energy: 1.017833031816289
Energy: 0.022215980718669464
Energy: 1.0178330318166269
Energy: 0.022215980717993876
Energy: 1.0178330318159512
Energy: 0.022215980718669464
Energy: 1.0867200637103622
Energy: 0.9767576317418244
Energy: 1.0867200637116758
Energy: 0.9767576317411865
Energy: 1.0867200637096868
Energy: 0.9767576317418244
Energy: 1.0867200637116758
Energy: 0.02221598071731829
Energy: 1.017833031816289
Energy: 0.02221598071765608
Energy: 1.0178330318166269
Energy: 0.02221598071765608
Energy: 1.017833031816289
Energy: 0.022215980717018028
Energy: 0.021546269379289468
Energy: 0.42428806395271285
Energy: 0.021546269378951672
Energy: 0.42428806395402646
Energy: 0.021546269378951672
Energy: 0.4242880639530131
Energy: 0.021546269378951672
Energy: 0.02221598071731829
Energy: 1.0178330318166269
Energy: 0.02221598071765608
Energy: 1.0178330318169644
Energy: 0.022215980718331665
Energy: 1.0178330318166269
Energy: 0.022215980716680236

minimum gb energy = 0.021546269378951672 eV
minimum distance =  2.72269104591842 Angstroms
sigma value = 5


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

Energy: 2.2198933288577183
Energy: 2.256987745032855
Energy: 2.2198933288536837
Energy: 2.2569877450368905
Energy: 2.2198933288577183
Energy: 2.256987745032855
Energy: 2.2198933288536837
Energy: 2.1469144416312393
Energy: 2.0625196668478663
Energy: 2.146914441627204
Energy: 2.0625196668438313
Energy: 2.1469144416312393
Energy: 2.0625196668478663
Energy: 2.146914441627204
Energy: 2.0308057701953937
Energy: 2.0177369676802357
Energy: 2.0308057701873232
Energy: 2.0177369676802357
Energy: 2.0308057701953937
Energy: 2.0177369676802357
Energy: 2.0308057701873232
Energy: 2.0179244519356057
Energy: 2.1521713149824273
Energy: 2.017924451931571
Energy: 2.1521713149864623
Energy: 2.0179244519356057
Energy: 2.1521713149824273
Energy: 2.017924451931571
Energy: 2.0179091328012513
Energy: 2.143277638858313
Energy: 2.017909132793181
Energy: 2.143277638866383
Energy: 2.0179091328012513
Energy: 2.143277638858313
Energy: 2.017909132793181
Energy: 2.0523357259518726
Energy: 2.2143627208598025
Energy: 2.052335725947838
Energy: 2.214362720855768
Energy: 2.052335725947838
Energy: 2.2143627208638375
Energy: 2.052335725947838
Energy: 2.171641513590587
Energy: 2.1767533376951143
Energy: 2.171641513590587
Energy: 2.176753337687044
Energy: 2.171641513590587
Energy: 2.1767533376951143
Energy: 2.171641513590587
Energy: 2.1031297800228024
Energy: 2.192090374312982
Energy: 2.103129780030873
Energy: 2.1920903743170173
Energy: 2.1031297800228024
Energy: 2.192090374312982
Energy: 2.1031297800268374
Energy: 2.0974731843331442
Energy: 2.1948061192863317
Energy: 2.097473184337179
Energy: 2.1948061192822967
Energy: 2.0974731843331442
Energy: 2.1948061192863317
Energy: 2.097473184337179
Energy: 2.027977198814215
Energy: 1.9886093261950866
Energy: 2.02797719881825
Energy: 1.9886093261950866
Energy: 2.027977198814215
Energy: 1.9886093261950866
Energy: 2.02797719881825
Energy: 2.083648580583362
Energy: 2.0316566043899447
Energy: 2.083648580575292
Energy: 2.031656604393979
Energy: 2.083648580583362
Energy: 2.0316566043899447
Energy: 2.083648580575292
Energy: 2.1170673748052002
Energy: 2.0442810325262073
Energy: 2.11706737479713
Energy: 2.0442810325221723
Energy: 2.117067374801165
Energy: 2.0442810325262073
Energy: 2.11706737479713
Energy: 2.1324111860817765
Energy: 2.0832810580649284
Energy: 2.1324111860817765
Energy: 2.0832810580689634
Energy: 2.1324111860817765
Energy: 2.0832810580649284
Energy: 2.1324111860817765
Energy: 2.0530295648430807
Energy: 2.093163132591701
Energy: 2.0530295648390458
Energy: 2.093163132591701
Energy: 2.0530295648390458
Energy: 2.093163132591701
Energy: 2.0530295648390458
Energy: 2.0140575025335146
Energy: 2.182042707103152
Energy: 2.0140575025335146
Energy: 2.182042707103152
Energy: 2.0140575025335146
Energy: 2.182042707103152
Energy: 2.0140575025335146
Energy: 2.0291663592434905
Energy: 2.062505690562433
Energy: 2.0291663592354205
Energy: 2.0625056905583974
Energy: 2.0291663592434905
Energy: 2.062505690562433
Energy: 2.0291663592354205
Energy: 2.145052720393224
Energy: 2.1327918919680267
Energy: 2.1450527203851535
Energy: 2.1327918919680267
Energy: 2.145052720393224
Energy: 2.1327918919680267
Energy: 2.1450527203851535
Energy: 2.0472736515096206
Energy: 2.0932074364471194
Energy: 2.0472736515136556
Energy: 2.0932074364592244
Energy: 2.0472736515096206
Energy: 2.0932074364471194
Energy: 2.0472736515136556
Energy: 2.1717862092427267
Energy: 2.0487353131591077
Energy: 2.171786209250797
Energy: 2.048735313167178
Energy: 2.1717862092427267
Energy: 2.0487353131631427
Energy: 2.171786209250797
Energy: 2.175298470670476
Energy: 2.0472145867065055
Energy: 2.1752984706825815
Energy: 2.0472145867105405
Energy: 2.175298470670476
Energy: 2.0472145867065055
Energy: 2.1752984706825815
Energy: 2.0945604334869867
Energy: 1.989903063322018
Energy: 2.0945604334869867
Energy: 1.9899030633300885
Energy: 2.0945604334869867
Energy: 1.989903063322018
Energy: 2.0945604334869867
Energy: 2.088605087706251
Energy: 1.996444069714552
Energy: 2.0886050877143214
Energy: 1.996444069710517
Energy: 2.088605087706251
Energy: 1.996444069714552
Energy: 2.0886050877143214
Energy: 2.0952798092112324
Energy: 2.19313315227176
Energy: 2.095279809219303
Energy: 2.1931331522757955
Energy: 2.0952798092112324
Energy: 2.1931331522757955
Energy: 2.095279809219303
Energy: 2.058044904792918
Energy: 2.0850945405596106
Energy: 2.0580449047848477
Energy: 2.0850945405636456
Energy: 2.058044904792918
Energy: 2.0850945405596106
Energy: 2.058044904788883
Energy: 2.180859714634091
Energy: 2.1719732679762567
Energy: 2.180859714634091
Energy: 2.1719732679722217
Energy: 2.180859714634091
Energy: 2.1719732679802917
Energy: 2.180859714634091
Energy: 2.123016505554705
Energy: 2.273658722447685
Energy: 2.1230165055627754
Energy: 2.2736587224436495
Energy: 2.123016505554705
Energy: 2.273658722447685
Energy: 2.1230165055627754
Energy: 2.021986558744009
Energy: 2.148227578914095
Energy: 2.0219865587359385
Energy: 2.148227578922165
Energy: 2.021986558744009
Energy: 2.148227578914095
Energy: 2.0219865587359385
Energy: 2.103726055920561
Energy: 2.0381182981354864
Energy: 2.1037260559286315
Energy: 2.0381182981314514
Energy: 2.103726055920561
Energy: 2.0381182981354864
Energy: 2.1037260559286315
Energy: 2.0608591250152766
Energy: 2.0227035738550407
Energy: 2.0608591250152766
Energy: 2.0227035738469707
Energy: 2.0608591250152766
Energy: 2.0227035738550407
Energy: 2.0608591250152766
Energy: 2.1224142331879228
Energy: 2.1224142331879228
Energy: 2.122414233183887
Energy: 2.122414233183887
Energy: 2.1224142331919573
Energy: 2.1224142331919573
Energy: 2.122414233183887
Energy: 2.163991127191681
Energy: 2.2273117614396445
Energy: 2.163991127195716
Energy: 2.227311761455785
Energy: 2.163991127191681
Energy: 2.22731176144368
Energy: 2.163991127191681
Energy: 2.11919839827547
Energy: 2.040586995381422
Energy: 2.1191983982714353
Energy: 2.040586995381422
Energy: 2.11919839827547
Energy: 2.040586995381422
Energy: 2.1191983982714353
Energy: 2.0287793845258584
Energy: 2.020373385454371
Energy: 2.028779384529893
Energy: 2.0203733854584063
Energy: 2.0287793845258584
Energy: 2.020373385454371
Energy: 2.0287793845258584
Energy: 2.010017853661229
Energy: 2.1647260301793576
Energy: 2.0100178536571947
Energy: 2.1647260301793576
Energy: 2.010017853661229
Energy: 2.1647260301793576
Energy: 2.0100178536571947
Energy: 2.0325053442256134
Energy: 2.1414242134964514
Energy: 2.0325053442135084
Energy: 2.1414242134964514
Energy: 2.0325053442215784
Energy: 2.1414242134964514
Energy: 2.0325053442135084
Energy: 2.1739313670470475
Energy: 2.176121364594215
Energy: 2.173931367051082
Energy: 2.1761213646022854
Energy: 2.1739313670470475
Energy: 2.176121364594215
Energy: 2.173931367051082
Energy: 2.1696588245721955
Energy: 2.2177488638007055
Energy: 2.1696588245721955
Energy: 2.217748863804741
Energy: 2.1696588245721955
Energy: 2.217748863804741
Energy: 2.1696588245721955
Energy: 2.104177961387928
Energy: 2.1822655197745857
Energy: 2.104177961387928
Energy: 2.1822655197745857
Energy: 2.104177961387928
Energy: 2.1822655197705503
Energy: 2.104177961387928
Energy: 2.09163270594089
Energy: 2.1105982384342314
Energy: 2.09163270594089
Energy: 2.1105982384503714
Energy: 2.09163270594089
Energy: 2.110598238438266
Energy: 2.091632705936855
Energy: 2.037041493091641
Energy: 1.9921863679636262
Energy: 2.037041493099711
Energy: 1.9921863679676615
Energy: 2.037041493091641
Energy: 1.9921863679636262
Energy: 2.037041493099711
Energy: 2.1750208267456714
Energy: 2.086693749255525
Energy: 2.175020826741636
Energy: 2.086693749247455
Energy: 2.1750208267456714
Energy: 2.086693749255525
Energy: 2.175020826741636
Energy: 2.126444643240752
Energy: 2.044257684057916
Energy: 2.126444643240752
Energy: 2.0442576840538806
Energy: 2.126444643240752
Energy: 2.044257684057916
Energy: 2.126444643240752
Energy: 2.079080821535724
Energy: 2.142632577790723
Energy: 2.0790808215478296
Energy: 2.142632577786688
Energy: 2.079080821535724
Energy: 2.142632577790723
Energy: 2.0790808215478296
Energy: 2.0431465223464236
Energy: 2.0883868324140558
Energy: 2.043146522350459
Energy: 2.0883868324140558
Energy: 2.0431465223464236
Energy: 2.0883868324140558
Energy: 2.043146522350459
Energy: 2.018936511060476
Energy: 2.0988339899823005
Energy: 2.0189365110685458
Energy: 2.098833989978266
Energy: 2.018936511060476
Energy: 2.0988339899823005
Energy: 2.0189365110685458
Energy: 2.0230332883675795
Energy: 2.054308576630667
Energy: 2.023033288371615
Energy: 2.054308576630667
Energy: 2.0230332883675795
Energy: 2.054308576630667
Energy: 2.023033288371615
Energy: 2.044390143117996
Energy: 2.0992974877264343
Energy: 2.044390143117996
Energy: 2.0992974877304693
Energy: 2.044390143117996
Energy: 2.0992974877223993
Energy: 2.044390143117996

minimum gb energy = 1.9886093261950866 eV
minimum distance =  2.40249079348215 Angstroms
sigma value = 401


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

Energy: 2.32036057764312
Energy: 2.1710132684336156
Energy: 2.3203605776403715
Energy: 2.1710132684312837
Energy: 2.3203605776357916
Energy: 2.171013268434032
Energy: 2.3203605776357916
Energy: 2.057165989978025
Energy: 2.105384251925463
Energy: 2.057165989977108
Energy: 2.1053842519368717
Energy: 2.0571659899721118
Energy: 2.105384251937788
Energy: 2.0571659899730284
Energy: 2.071755314203096
Energy: 2.0593488614900024
Energy: 2.0717553141888554
Energy: 2.059348861485922
Energy: 2.0717553141961833
Energy: 2.059348861490918
Energy: 2.071755314195767
Energy: 2.0044678258385775
Energy: 2.2346010308876454
Energy: 2.0044678258349133
Energy: 2.234601030893142
Energy: 2.004467825837662
Energy: 2.234601030890893
Energy: 2.004467825834414
Energy: 2.036472462290826
Energy: 2.217660101935615
Energy: 2.036472462286662
Energy: 2.217660101938364
Energy: 2.0364724622912425
Energy: 2.217660101932451
Energy: 2.036472462286662
Energy: 2.1379962022188415
Energy: 2.1616686603959807
Energy: 2.1379962022294174
Energy: 2.1616686603959807
Energy: 2.137996202217009
Energy: 2.1616686603964803
Energy: 2.1379962022312498
Energy: 2.141346687007462
Energy: 2.1594956295539833
Energy: 2.1413466870078786
Energy: 2.1594956295535668
Energy: 2.1413466870069624
Energy: 2.1594956295526506
Energy: 2.1413466870078786
Energy: 2.1122222539035476
Energy: 2.2120269612811683
Energy: 2.112222253904047
Energy: 2.2120269612729238
Energy: 2.112222253894887
Energy: 2.212026961277004
Energy: 2.1122222539012996
Energy: 2.1046593715287814
Energy: 2.2213521381971204
Energy: 2.104659371517289
Energy: 2.2213521382017007
Energy: 2.1046593715136255
Energy: 2.221352138198536
Energy: 2.1046593715182054
Energy: 2.075056658615645
Energy: 2.1645879825287815
Energy: 2.075056658621141
Energy: 2.16458798253103
Energy: 2.075056658609732
Energy: 2.1645879825273657
Energy: 2.0750566586092325
Energy: 2.0141854128209515
Energy: 2.146860981198965
Energy: 2.0141854128392724
Energy: 2.1468609812030457
Energy: 2.014185412836524
Energy: 2.146860981199381
Energy: 2.01418541283236
Energy: 2.097203085756478
Energy: 2.0504517686972608
Energy: 2.097203085760142
Energy: 2.050451768701425
Energy: 2.0972030857560617
Energy: 2.050451768697761
Energy: 2.097203085760642
Energy: 2.02269758760819
Energy: 2.089563974600672
Energy: 2.022697587615102
Energy: 2.0895639746025036
Energy: 2.0226975876086897
Energy: 2.089563974600672
Energy: 2.0226975876155184
Energy: 2.2222199164878598
Energy: 2.1368491425651412
Energy: 2.222219916470039
Energy: 2.136849142572969
Energy: 2.2222199164878598
Energy: 2.136849142564225
Energy: 2.222219916470455
Energy: 2.003047594763463
Energy: 2.1019581212119194
Energy: 2.003047594763962
Energy: 2.101958121215084
Energy: 2.003047594763463
Energy: 2.101958121213252
Energy: 2.003047594764379
Energy: 2.068993032934653
Energy: 2.0593436503076874
Energy: 2.06899303292416
Energy: 2.059343650312767
Energy: 2.068993032919996
Energy: 2.059343650305439
Energy: 2.068993032933737
Energy: 2.0044678258394937
Energy: 2.2602964267365473
Energy: 2.004467825834414
Energy: 2.2602964267434595
Energy: 2.004467825840826
Energy: 2.2602964267402115
Energy: 2.0044678258349133
Energy: 2.0364724622820822
Energy: 2.2129854488356377
Energy: 2.036472462278001
Energy: 2.2129854488228133
Energy: 2.0364724622820822
Energy: 2.212985448820565
Energy: 2.036472462278917
Energy: 2.1379962022147607
Energy: 2.161668660392816
Energy: 2.137996202228002
Energy: 2.161668660390068
Energy: 2.1379962022120127
Energy: 2.1616686603923165
Energy: 2.137996202227086
Energy: 2.141346687003298
Energy: 2.1594956295535668
Energy: 2.141346687003298
Energy: 2.1594956295530667
Energy: 2.1413466870019664
Energy: 2.1594956295521515
Energy: 2.141346687003798
Energy: 2.1091074338079374
Energy: 2.2124064508373813
Energy: 2.1091074338038567
Energy: 2.212406450836882
Energy: 2.109107433806605
Energy: 2.2124064508423777
Energy: 2.1091074338075204
Energy: 2.1039313619179656
Energy: 2.220774183899457
Energy: 2.1039313619175486
Energy: 2.220774183896293
Energy: 2.1039313619051403
Energy: 2.2207741838907964
Energy: 2.103931361923045
Energy: 2.06817060640438
Energy: 2.1645879825260335
Energy: 2.0681706064007153
Energy: 2.164587982529198
Energy: 2.0681706064126244
Energy: 2.1645879825237015
Energy: 2.0681706064062118
Energy: 2.014246259565287
Energy: 2.1468609811975496
Energy: 2.014246259567119
Energy: 2.1468609812030457
Energy: 2.0142462595579587
Energy: 2.146860981197133
Energy: 2.0142462595607067
Energy: 2.0972030857523976
Energy: 2.0504517686922643
Energy: 2.09720308575373
Energy: 2.050451768696345
Energy: 2.0972030857523976
Energy: 2.0504517686922643
Energy: 2.0972030857528137
Energy: 2.0795268211164837
Energy: 2.0895639746034194
Energy: 2.07952682112198
Energy: 2.0895639746043355
Energy: 2.0795268211169002
Energy: 2.0895639746039194
Energy: 2.079526821114652
Energy: 2.320360577639456
Energy: 2.171013268435864
Energy: 2.320360577639456
Energy: 2.171013268440028
Energy: 2.320360577639456
Energy: 2.1710132684422763
Energy: 2.320360577639872
Energy: 2.05716598997486
Energy: 2.105384251928627
Energy: 2.05716598997486
Energy: 2.1053842519419517
Energy: 2.0571659899707795
Energy: 2.1053842519419517
Energy: 2.0571659899707795
Energy: 2.0717553141994314
Energy: 2.059348861492334
Energy: 2.071755314186607
Energy: 2.059348861485922
Energy: 2.071755314195767
Energy: 2.059348861489586
Energy: 2.071755314194851
Energy: 2.004467825841742
Energy: 2.234601030885813
Energy: 2.0044678258394937
Energy: 2.234601030886729
Energy: 2.004467825841742
Energy: 2.234601030888561
Energy: 2.004467825838078
Energy: 2.036472462290826
Energy: 2.217660101936115
Energy: 2.0364724622834975
Energy: 2.217660101938364
Energy: 2.0364724622917425
Energy: 2.217660101930619
Energy: 2.036472462282998
Energy: 2.137996202212429
Energy: 2.161668660390484
Energy: 2.1379962022230052
Energy: 2.1616686603914004
Energy: 2.1379962022120127
Energy: 2.1616686603923165
Energy: 2.137996202223921
Energy: 2.1413466870028817
Energy: 2.159495629554899
Energy: 2.14134668700513
Energy: 2.159495629555399
Energy: 2.1413466870019664
Energy: 2.159495629555399
Energy: 2.14134668700513
Energy: 2.112222253908128
Energy: 2.212026961275672
Energy: 2.112222253908628
Energy: 2.21202696126926
Energy: 2.1122222538971354
Energy: 2.212026961274756
Energy: 2.1122222539035476
Energy: 2.1046593715296975
Energy: 2.2213521381971204
Energy: 2.104659371517289
Energy: 2.2213521382003685
Energy: 2.104659371512709
Energy: 2.2213521381989523
Energy: 2.1046593715136255
Energy: 2.075056658620225
Energy: 2.1645879825273657
Energy: 2.0750566586262207
Energy: 2.164587982533778
Energy: 2.0750566586143124
Energy: 2.1645879825278653
Energy: 2.075056658611065
Energy: 2.0141854128227834
Energy: 2.1468609811911366
Energy: 2.0141854128392724
Energy: 2.146860981196633
Energy: 2.0141854128396885
Energy: 2.146860981190221
Energy: 2.014185412834192
Energy: 2.0972030857542294
Energy: 2.0504517686886
Energy: 2.0972030857560617
Energy: 2.0504517686926804
Energy: 2.0972030857533133
Energy: 2.0504517686899324
Energy: 2.097203085757394
Energy: 2.0226975876054416
Energy: 2.0895639746030032
Energy: 2.022697587609606
Energy: 2.0895639746039194
Energy: 2.0226975876054416
Energy: 2.0895639746030032
Energy: 2.0226975876100224
Energy: 2.22221991648836
Energy: 2.136849142563809
Energy: 2.2222199164713707
Energy: 2.1368491425706373
Energy: 2.222219916488776
Energy: 2.1368491425647247
Energy: 2.2222199164709546
Energy: 2.003047594755718
Energy: 2.1019581212082548
Energy: 2.003047594753386
Energy: 2.101958121210503
Energy: 2.0030475947552184
Energy: 2.1019581212073395
Energy: 2.0030475947548014

minimum gb energy = 2.003047594753386 eV
minimum distance =  2.46047515266684 Angstroms
sigma value = 311


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

Energy: 2.0664816928206653
Energy: 2.1527062356087785
Energy: 2.066481692824896
Energy: 2.152706235605606
Energy: 2.066481692822252
Energy: 2.152706235609308
Energy: 2.0664816928206653
Energy: 2.0003626319612455
Energy: 1.9817568123051603
Energy: 2.0003626319633607
Energy: 1.9817568123083338
Energy: 2.0003626319660053
Energy: 1.981756812307276
Energy: 2.0003626319654764
Energy: 1.9449057125416946
Energy: 2.0429949941056766
Energy: 1.9449057125416946
Energy: 2.0429949941056766
Energy: 1.9449057125401081
Energy: 2.04299499410885
Energy: 1.9449057125401081
Energy: 2.1844904699548917
Energy: 2.2073584804907402
Energy: 2.184490469958065
Energy: 2.2073584804912687
Energy: 2.1844904699559495
Energy: 2.2073584804939133
Energy: 2.1844904699570074
Energy: 2.212884443142391
Energy: 2.2393108630959593
Energy: 2.212884443143978
Energy: 2.239310863097546
Energy: 2.2128844431408043
Energy: 2.239310863098075
Energy: 2.2128844431392176
Energy: 2.0515708126635315
Energy: 2.2592007367092366
Energy: 2.0515708126651178
Energy: 2.2592007367044764
Energy: 2.0515708126603585
Energy: 2.2592007367065925
Energy: 2.051570812659829
Energy: 2.0464646068368753
Energy: 2.289450778516688
Energy: 2.0464646068400487
Energy: 2.2894507785172165
Energy: 2.0464646068363463
Energy: 2.2894507785172165
Energy: 2.046464606833702
Energy: 2.2238263891337797
Energy: 2.2157586053311156
Energy: 2.223826389130078
Energy: 2.2157586053305867
Energy: 2.2238263891306067
Energy: 2.215758605330058
Energy: 2.223826389132194
Energy: 2.1537009724117753
Energy: 2.2246742473395935
Energy: 2.1537009724096596
Energy: 2.2246742473374783
Energy: 2.153700972411246
Energy: 2.224674247339065
Energy: 2.153700972412833
Energy: 1.9449674768387537
Energy: 1.9449674768387537
Energy: 1.9449674768361092
Energy: 1.9449674768361092
Energy: 1.944967476840869
Energy: 1.944967476840869
Energy: 1.9449674768371668
Energy: 1.9470956356131193
Energy: 2.1964291302580707
Energy: 1.9470956356141773
Energy: 2.1964291302612438
Energy: 1.9470956356120614
Energy: 2.1964291302533105
Energy: 1.9470956356125904
Energy: 2.2824945036108377
Energy: 2.2330511469446597
Energy: 2.2824945036144917
Energy: 2.2330511469398995
Energy: 2.282494503611366
Energy: 2.2330511469372554
Energy: 2.2824945036118955
Energy: 2.15732666708766
Energy: 2.1298496297839367
Energy: 2.157326667085015
Energy: 2.129849629781292
Energy: 2.15732666708766
Energy: 2.1298496297834073
Energy: 2.1573266670897753
Energy: 2.0353360985166007
Energy: 2.0543737332285796
Energy: 2.035336098516072
Energy: 2.0543737332222327
Energy: 2.035336098517129
Energy: 2.0543737332238194
Energy: 2.0353360985181874
Energy: 2.073368631930932
Energy: 2.073368631930932
Energy: 2.073368631933576
Energy: 2.073368631933576
Energy: 2.0733686319325177
Energy: 2.0733686319325177
Energy: 2.0733686319319893
Energy: 2.0638043314022623
Energy: 2.205962633247418
Energy: 2.063804331401205
Energy: 2.205962633248476
Energy: 2.063804331400147
Energy: 2.2059626332490048
Energy: 2.0638043314006764
Energy: 2.006179851453744
Energy: 2.008614944213699
Energy: 2.006179851452157
Energy: 2.008614944212641
Energy: 2.0061798514516282
Energy: 2.008614944212641
Energy: 2.0061798514505704
Energy: 1.9478216088990064
Energy: 2.0385637567859116
Energy: 1.947821608895833
Energy: 2.0385637567859116
Energy: 1.9478216088968907
Energy: 2.038563756777978
Energy: 1.9478216089000642
Energy: 2.2503536272219775
Energy: 2.2968237599182966
Energy: 2.2584131941569594
Energy: 2.2968237599161814
Energy: 2.280069239089637
Energy: 2.2968237599172387
Energy: 2.2724055194178217
Energy: 2.214060858014197
Energy: 2.284456605783138
Energy: 2.214060858013139
Energy: 2.284456605783667
Energy: 2.2140608580152543
Energy: 2.284456605783138
Energy: 2.214060858013139
Energy: 2.0571060183899545
Energy: 2.0246763028343957
Energy: 2.0571060183888967
Energy: 2.024676302836512
Energy: 2.0571060183883674
Energy: 2.024676302834925
Energy: 2.057106018389425
Energy: 2.0402668059863727
Energy: 2.2067195313980523
Energy: 2.040266805988488
Energy: 2.206719531394879
Energy: 2.040266805987959
Energy: 2.206719531395408
Energy: 2.0402668059874305
Energy: 2.1365103480397694
Energy: 2.1533887847718742
Energy: 2.2358869713185365
Energy: 2.1533887847724027
Energy: 2.2127329990868074
Energy: 2.1533887847718742
Energy: 2.2127329990841633
Energy: 2.1275700271968403
Energy: 2.1275700271968403
Energy: 2.1275700271968403
Energy: 2.1275700271968403
Energy: 2.1275700271984266
Energy: 2.1275700271984266
Energy: 2.127570027197898
Energy: 1.921672059849937
Energy: 1.9991668864470076
Energy: 1.9216720598515238
Energy: 1.9991668864438343
Energy: 1.92167205985311
Energy: 1.9991668864459502
Energy: 1.9216720598515238
Energy: 2.1167683278908944
Energy: 2.193849656305792
Energy: 2.1167683278924807
Energy: 2.193849656303676
Energy: 2.1167683278908944
Energy: 2.193849656303676
Energy: 2.1167683278898366
Energy: 2.254073171179018
Energy: 2.238571055615859
Energy: 2.246895154874709
Energy: 2.238571055614801
Energy: 2.2692527175353683
Energy: 2.2385710556174456
Energy: 2.3171874603437748
Energy: 2.1774039615993708
Energy: 2.295107902348523
Energy: 2.177403961598313
Energy: 2.2951079023479943
Energy: 2.177403961601486
Energy: 2.2951079023511674
Energy: 2.1774039615993708
Energy: 2.0341337870876273
Energy: 2.026464144241644
Energy: 2.0341337870908007
Energy: 2.0264641442384703
Energy: 2.0341337870934453
Energy: 2.0264641442347684
Energy: 2.034133787088685
Energy: 2.132231255004562
Energy: 2.132231255004562
Energy: 2.1322312550050904
Energy: 2.1322312550050904
Energy: 2.1322312550056197
Energy: 2.1322312550056197
Energy: 2.1322312550077354
Energy: 2.2508973393428064
Energy: 2.2048585624826265
Energy: 2.266799729130448
Energy: 2.2048585624863284
Energy: 2.2105193089817274
Energy: 2.2048585624910886
Energy: 2.2667997291293904
Energy: 1.9422420395933506
Energy: 2.165337915928982
Energy: 1.9422420395912352
Energy: 2.165337915928982
Energy: 1.9422420395885907
Energy: 2.165337915928453
Energy: 1.9422420395901776
Energy: 1.9470838828456962
Energy: 1.9307646302045474
Energy: 1.9470838828430521
Energy: 1.9307646302045474
Energy: 1.9470838828451678
Energy: 1.9307646302045474
Energy: 1.9470838828488697
Energy: 2.2586718025789185
Energy: 2.3119525637210465
Energy: 2.258671802579448
Energy: 2.311952563723162
Energy: 2.2586718025857944
Energy: 2.31195256371946
Energy: 2.258671802579448
Energy: 2.2519686300942476
Energy: 2.1738231946297195
Energy: 2.2519686300942476
Energy: 2.1738231946286612
Energy: 2.251968630094777
Energy: 2.1738231946276034
Energy: 2.2519686300910746
Energy: 2.0352530101186943
Energy: 2.0572962308813554
Energy: 2.0352530101149924
Energy: 2.0572962308813554
Energy: 2.0352530101149924
Energy: 2.0572962308760663
Energy: 2.0352530101208095

minimum gb energy = 1.921672059849937 eV
minimum distance =  2.37248214435196 Angstroms
sigma value = 39


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

Energy: 2.058708523878882
Energy: 2.0532987437198424
Energy: 2.058708523881379
Energy: 2.053298743727957
Energy: 2.058708523878882
Energy: 2.0532987437198424
Energy: 2.0587085238807545
Energy: 2.1141834313965475
Energy: 1.956391435142823
Energy: 2.114183431394051
Energy: 1.9563914351446958
Energy: 2.1141834313965475
Energy: 1.9563914351421992
Energy: 2.1141834313934265
Energy: 2.10199615861865
Energy: 1.968589607262062
Energy: 2.101996158618026
Energy: 1.9685896072645588
Energy: 2.101996158618026
Energy: 1.968589607261438
Energy: 2.10199615861865
Energy: 2.279799582400683
Energy: 1.9417698504029763
Energy: 2.279799582401307
Energy: 1.9417698503973586
Energy: 2.279799582400683
Energy: 1.9417698504029763
Energy: 2.279799582401307
Energy: 2.1145130578992863
Energy: 1.9403301372351818
Energy: 2.1145130579005347
Energy: 1.9403301372289397
Energy: 2.1145130578992863
Energy: 1.9403301372351818
Energy: 2.1145130579005347
Energy: 2.119576501789594
Energy: 1.9429151926476527
Energy: 2.1195765017945876
Energy: 1.9429151926439077
Energy: 2.119576501790218
Energy: 1.9429151926476527
Energy: 2.119576501793963
Energy: 2.2670139545859356
Energy: 1.9688430705954953
Energy: 2.2670139545884322
Energy: 1.968843070596744
Energy: 2.26352510143854
Energy: 1.9688430705948712
Energy: 2.1910412346370522
Energy: 2.0729477850396654
Energy: 1.9454793144929041
Energy: 2.0729477850415376
Energy: 1.9454793144904072
Energy: 2.0729477850396654
Energy: 1.9454793144922797
Energy: 2.0729477850415376
Energy: 2.1233096530254003
Energy: 1.9381908976084141
Energy: 2.1233096530235276
Energy: 1.9381908976084141
Energy: 2.123309653024776
Energy: 1.9381908976077897
Energy: 2.1233096530235276
Energy: 2.0303450575789888
Energy: 2.0842585439882395
Energy: 2.0303450575702504
Energy: 2.084258543983246
Energy: 2.0303450575789888
Energy: 2.084258543988864
Energy: 2.0303450575714983
Energy: 2.134142980619062
Energy: 2.134142980619062
Energy: 2.134142980617814
Energy: 2.134142980617814
Energy: 2.171678356717296
Energy: 2.171678356717296
Energy: 2.099444108124832
Energy: 2.0677730423187857
Energy: 1.9449993011813962
Energy: 2.0677730423219063
Energy: 1.9449993011870137
Energy: 2.0677730423187857
Energy: 1.9449993011820204
Energy: 2.0677730423225307
Energy: 2.2454079815460126
Energy: 1.9818547521148226
Energy: 2.2454079815478853
Energy: 1.9818547521166952
Energy: 2.2454079815460126
Energy: 1.9818547521148226
Energy: 2.2454079815478853
Energy: 2.070515636523582
Energy: 1.9419946128769467
Energy: 2.0705156365248296
Energy: 1.9419946128763226
Energy: 2.070515636523582
Energy: 1.9419946128769467
Energy: 2.0705156365248296
Energy: 2.1456061161434126
Energy: 2.085398309810851
Energy: 2.0906189699617768
Energy: 2.0853983098152207
Energy: 2.165803679094268
Energy: 2.085398309810851
Energy: 2.1136493506054257
Energy: 2.070530312181205
Energy: 1.9421063518691
Energy: 2.0705303121762118
Energy: 1.9421063518659787
Energy: 2.0705303121805807
Energy: 1.9421063518691
Energy: 2.0705303121762118
Energy: 2.2452754796491647
Energy: 1.9561096363382364
Energy: 2.245275479651662
Energy: 1.9561096363294976
Energy: 2.245275479649789
Energy: 1.9561096363388608
Energy: 2.245275479651662
Energy: 2.0678258015996707
Energy: 1.945007650854483
Energy: 2.0678258015990463
Energy: 1.945007650854483
Energy: 2.0678258015990463
Energy: 1.9450076508538585
Energy: 2.067825801598422
Energy: 2.0980272007734024
Energy: 2.0980272007734024
Energy: 2.0980272007746508
Energy: 2.0980272007746508
Energy: 2.101932178616731
Energy: 2.101932178616731
Energy: 2.101932178617979
Energy: 2.0303670411161225
Energy: 2.084157604900604
Energy: 2.03036704111425
Energy: 2.084157604898108
Energy: 2.0303670411161225
Energy: 2.084157604901228
Energy: 2.03036704111425
Energy: 2.123332232598052
Energy: 1.9381097878720785
Energy: 2.1233322326024213
Energy: 1.938109787873327
Energy: 2.123332232598052
Energy: 1.9381097878720785
Energy: 2.1233322326024213
Energy: 2.073002603142408
Energy: 1.9455017749763999
Energy: 2.073002603142408
Energy: 1.9455017749732788
Energy: 2.073002603143032
Energy: 1.9455017749763999
Energy: 2.073002603142408
Energy: 2.265179613614033
Energy: 1.9688228760648734
Energy: 2.26517961360904
Energy: 1.9688228760598796
Energy: 2.265179613614033
Energy: 1.9688228760648734
Energy: 2.2636616704759223
Energy: 2.1195900561693235
Energy: 1.942839121685321
Energy: 2.119590056170572
Energy: 1.9428391216822
Energy: 2.119590056169948
Energy: 1.942839121685321
Energy: 2.119590056170572
Energy: 2.1144811055110013
Energy: 1.940492492424154
Energy: 2.1144811055110013
Energy: 1.9404924924216571
Energy: 2.1144811055116257
Energy: 1.940492492424154
Energy: 2.1144811055110013
Energy: 2.279843682409724
Energy: 1.9417877269145918
Energy: 2.2798436824115966
Energy: 1.9417877269114707
Energy: 2.2798436824090995
Energy: 1.9417877269133434
Energy: 2.2798436824115966
Energy: 2.1018561977604886
Energy: 1.968590833716649
Energy: 2.101856197761737
Energy: 1.968590833716649
Energy: 2.1018561977611125
Energy: 1.968590833716649
Energy: 2.1018561977611125
Energy: 2.1141694039767036
Energy: 1.9563364243556
Energy: 2.1141694039760797
Energy: 1.9563364243518548
Energy: 2.1141694039767036
Energy: 1.9563364243556
Energy: 2.1141694039760797
Energy: 2.0587085238776335
Energy: 2.0532987437198424
Energy: 2.058708523878258
Energy: 2.0532987437285812
Energy: 2.0587085238776335
Energy: 2.0532987437192185
Energy: 2.058708523878882
Energy: 2.1141834314002925
Energy: 1.95639143514532
Energy: 2.114183431399044
Energy: 1.9563914351471923
Energy: 2.114183431399668
Energy: 1.956391435145944
Energy: 2.11418343139842

minimum gb energy = 1.9381097878720785 eV
minimum distance =  2.44480007503575 Angstroms
sigma value = 21


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

Energy: 2.1181380741167515
Energy: 2.2415601692362177
Energy: 2.1181380741159934
Energy: 2.241560169238491
Energy: 2.1181380741167515
Energy: 2.2415601692362177
Energy: 2.1181380741167515
Energy: 2.0171518621765654
Energy: 1.9636085399124448
Energy: 2.0171518621758073
Energy: 1.9636085399124448
Energy: 2.0171518621765654
Energy: 1.9636085399124448
Energy: 2.0171518621750497
Energy: 2.095407440483899
Energy: 2.0693253830344496
Energy: 2.095407440484657
Energy: 2.069325383036723
Energy: 2.095407440483899
Energy: 2.069325383035207
Energy: 2.095407440484657
Energy: 1.9146522487902613
Energy: 1.961291448437986
Energy: 1.9146522487902613
Energy: 1.9612914484357127
Energy: 1.9146522487902613
Energy: 1.961291448437986
Energy: 1.9146522487902613
Energy: 1.93187721287576
Energy: 1.9256877894860343
Energy: 1.93187721287576
Energy: 1.925687789486792
Energy: 1.9318772128765174
Energy: 1.9256877894860343
Energy: 1.93187721287576
Energy: 1.9147443283226322
Energy: 1.9853612468755384
Energy: 1.914744328325663
Energy: 1.9853612468770538
Energy: 1.9147443283233898
Energy: 1.9853612468755384
Energy: 1.914744328325663
Energy: 1.869790188716471
Energy: 2.0008231436154738
Energy: 1.8697901887172286
Energy: 2.000823143614716
Energy: 1.869790188716471
Energy: 2.0008231436154738
Energy: 1.8697901887172286
Energy: 1.9289930936694257
Energy: 1.9717109626864127
Energy: 1.92899309366791
Energy: 1.9717109626856553
Energy: 1.9289930936694257
Energy: 1.9717109626864127
Energy: 1.9289930936686681
Energy: 1.9773587943465816
Energy: 1.9437561454245484
Energy: 1.9773587943480626
Energy: 1.9437561454268217
Energy: 1.9773587943473394
Energy: 1.9437561454245484
Energy: 1.9773587943473394
Energy: 1.9208369513237753
Energy: 2.0009340676525658
Energy: 1.9208369513252908
Energy: 2.0009340676518077
Energy: 1.9208369513237753
Energy: 2.0009340676525658
Energy: 1.9208369513252908
Energy: 1.8698961360743973
Energy: 1.962230954876645
Energy: 1.8698961360743973
Energy: 1.9622309548751296
Energy: 1.8698961360743973
Energy: 1.9622309548758872
Energy: 1.8698961360743973
Energy: 1.9293663157297614
Energy: 1.983121444284941
Energy: 1.9293663157320347
Energy: 1.9831214442864566
Energy: 1.9293663157305192
Energy: 1.983121444284941
Energy: 1.9293663157320347
Energy: 1.9292034470604889
Energy: 1.941083194491716
Energy: 1.9292034470604889
Energy: 1.9410831944932312
Energy: 1.9292034470604889
Energy: 1.9410831944924734
Energy: 1.9292034470604889
Energy: 2.0199313643765424
Energy: 2.0797228315394056
Energy: 2.0199313643765424
Energy: 2.0797228315378904
Energy: 2.0199313643757844
Energy: 2.0797228315394056
Energy: 2.0199313643757844
Energy: 2.010829236007751
Energy: 1.9673147793748225
Energy: 2.0108292360062356
Energy: 1.9673147793755805
Energy: 2.010829236007751
Energy: 1.9673147793755805
Energy: 2.0108292360062356
Energy: 2.0555834069752605
Energy: 2.0922445480202816
Energy: 2.0555834069767758
Energy: 2.0922445480202816
Energy: 2.0555834069752605
Energy: 2.0922445480202816
Energy: 2.055583406976018
Energy: 2.0130593006848723
Energy: 2.0130593006848723
Energy: 2.013059300683357
Energy: 2.013059300683357
Energy: 2.0130593006848723
Energy: 2.0130593006848723
Energy: 2.013059300683357
Energy: 1.9975304458121104
Energy: 2.0798421685878523
Energy: 1.9975304458105945
Energy: 2.0798421685863366
Energy: 1.9975304458121104
Energy: 2.0798421685878523
Energy: 1.9975304458113525
Energy: 1.959533145569986
Energy: 1.9671234147028218
Energy: 1.9595331455707434
Energy: 1.967123414700549
Energy: 1.9595331455707434
Energy: 1.9671234147020642
Energy: 1.959533145569986
Energy: 1.9284998352851805
Energy: 1.9244736942555538
Energy: 1.9284998352836649
Energy: 1.9244736942563117
Energy: 1.9284998352844225
Energy: 1.9244736942555538
Energy: 1.9284998352836649
Energy: 1.9269939657355841
Energy: 2.0520972913935998
Energy: 1.926993965734069
Energy: 2.0520972913943574
Energy: 1.9269939657348265
Energy: 2.0520972913935998
Energy: 1.926993965734069
Energy: 1.8709723333224555
Energy: 2.00257667236512
Energy: 1.8709723333224555
Energy: 2.00257667236512
Energy: 1.8709723333224555
Energy: 2.00257667236512
Energy: 1.8709723333224555
Energy: 1.9273423010629875
Energy: 1.9626954323232986
Energy: 1.9273423010622297
Energy: 1.9626954323232986
Energy: 1.9273423010629875
Energy: 1.9626954323232986
Energy: 1.9273423010622297
Energy: 1.927978462628462
Energy: 1.924962355649877
Energy: 1.927978462627704
Energy: 1.9249623556513922
Energy: 1.927978462628462
Energy: 1.924962355649877
Energy: 1.927978462628462
Energy: 1.919799251216956
Energy: 2.0715924534499552
Energy: 1.9197992512154407
Energy: 2.0715924534514705
Energy: 1.9197992512161983
Energy: 2.0715924534499552
Energy: 1.9197992512154407

minimum gb energy = 1.869790188716471 eV
minimum distance =  2.45996423991446 Angstroms
sigma value = 113


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

Energy: 1.916988811075957
Energy: 1.968296092964711
Energy: 1.916988811071728
Energy: 1.9682960929731683
Energy: 1.916988811075957
Energy: 1.968296092964711
Energy: 1.916988811075957
Energy: 1.8853792688296556
Energy: 1.7932364532956462
Energy: 1.8853792688338074
Energy: 1.7932364532914173
Energy: 1.8853792688296556
Energy: 1.7932364532956462
Energy: 1.8853792688338074
Energy: 1.8914560684085673
Energy: 1.877609347636024
Energy: 1.8914560684073367
Energy: 1.8776093476275664
Energy: 1.891456068409413
Energy: 1.877609347636024
Energy: 1.8914560684073367
Energy: 1.7795890118178248
Energy: 1.7880134221241528
Energy: 1.7795890118093671
Energy: 1.7880134221241528
Energy: 1.7795890118178248
Energy: 1.7880134221241528
Energy: 1.7795890118093671
Energy: 1.8181749588541527
Energy: 1.8888181255176504
Energy: 1.8181749588583818
Energy: 1.8888181255218794
Energy: 1.8181749588541527
Energy: 1.8888181255176504
Energy: 1.8181749588583818
Energy: 1.7790909259232768
Energy: 1.7887884459341776
Energy: 1.7790909259232768
Energy: 1.7887884459299486
Energy: 1.7790909259232768
Energy: 1.7887884459341776
Energy: 1.7790909259232768
Energy: 1.7758370026894226
Energy: 1.8219956827113786
Energy: 1.7758370026851935
Energy: 1.8219956827156072
Energy: 1.7758370026894226
Energy: 1.8219956827113786
Energy: 1.7758370026851935
Energy: 1.7700790411514793
Energy: 1.7855988296474559
Energy: 1.7700790411514793
Energy: 1.7855988296474559
Energy: 1.7700790411514793
Energy: 1.7855988296474559
Energy: 1.7700790411514793
Energy: 1.8134471580172704
Energy: 1.7729066398106013
Energy: 1.813447158029957
Energy: 1.7729066398063724
Energy: 1.8134471580172704
Energy: 1.7729066398106013
Energy: 1.813447158029957
Energy: 1.790128693238234
Energy: 1.7220560264289717
Energy: 1.7901286932424627
Energy: 1.7220560264205904
Energy: 1.790128693238234
Energy: 1.7220560264247426
Energy: 1.7901286932424627
Energy: 1.745310427181871
Energy: 1.71184805736238
Energy: 1.745310427181871
Energy: 1.7118480573749897
Energy: 1.745310427181871
Energy: 1.71184805736238
Energy: 1.745310427181871
Energy: 1.7183384317392632
Energy: 1.7993471181587977
Energy: 1.7183384317392632
Energy: 1.7993471181587977
Energy: 1.7183384317392632
Energy: 1.7993471181587977
Energy: 1.7183384317392632
Energy: 1.6730092394058356
Energy: 1.7579423038992383
Energy: 1.6730092394058356
Energy: 1.7579423039034676
Energy: 1.6730092394058356
Energy: 1.7579423038992383
Energy: 1.6730092394058356
Energy: 1.7843351824457343
Energy: 1.7388281685739262
Energy: 1.7843351824457343
Energy: 1.738828168569697
Energy: 1.7843351824457343
Energy: 1.7388281685739262
Energy: 1.7843351824457343
Energy: 1.7674371265199917
Energy: 1.719727940699199
Energy: 1.7674371265115343
Energy: 1.719727940703428
Energy: 1.7674371265199917
Energy: 1.719727940699199
Energy: 1.7674371265115343
Energy: 1.7161483642087867
Energy: 1.7495976995882097
Energy: 1.716148364200329
Energy: 1.7495976995966676
Energy: 1.7161483642087867
Energy: 1.7495976995882097
Energy: 1.716148364200329
Energy: 1.6739545727043517
Energy: 1.77578123781246
Energy: 1.6739545727085805
Energy: 1.775781237808231
Energy: 1.6739545727043517
Energy: 1.77578123781246
Energy: 1.6739545727085805
Energy: 1.7178442043540034
Energy: 1.7438050475880282
Energy: 1.7178442043455455
Energy: 1.7438050475837996
Energy: 1.7178442043497744
Energy: 1.7438050475880282
Energy: 1.7178442043497744
Energy: 1.7739380471944919
Energy: 1.721198487761148
Energy: 1.7739380471987207
Energy: 1.721198487761148
Energy: 1.7739380471944919
Energy: 1.721198487761148
Energy: 1.7739380471987207
Energy: 1.774394765820346
Energy: 1.766810918982082
Energy: 1.774394765820346
Energy: 1.7668109189947683
Energy: 1.774394765820346
Energy: 1.766810918982082
Energy: 1.774394765820346
Energy: 1.7409833458494002
Energy: 1.7318560878337699
Energy: 1.740983345845171
Energy: 1.731856087829541
Energy: 1.7409833458494002
Energy: 1.7318560878337699
Energy: 1.7409833458409423
Energy: 1.7511335947037827
Energy: 1.7698866862259093
Energy: 1.7511335946954014
Energy: 1.7698866862216802
Energy: 1.7511335947037827
Energy: 1.7698866862259093
Energy: 1.7511335946954014
Energy: 1.7684527380044586
Energy: 1.7454813369978461
Energy: 1.7684527380129165
Energy: 1.7454813370020748
Energy: 1.7684527380044586
Energy: 1.7454813369978461
Energy: 1.7684527380129165
Energy: 1.7221385173961916
Energy: 1.8216526592923945
Energy: 1.7221385174004207
Energy: 1.8216526592839366
Energy: 1.7221385174004207
Energy: 1.8216526592881654
Energy: 1.7221385174004207
Energy: 1.8482276209480757
Energy: 1.7865838446685898
Energy: 1.8482276209438466
Energy: 1.7865838446728182
Energy: 1.8482276209480757
Energy: 1.7865838446643607
Energy: 1.8482276209438466
Energy: 1.8387089744454335
Energy: 1.8086351168287853
Energy: 1.8387089744369756
Energy: 1.8086351168330146
Energy: 1.838708974444972
Energy: 1.8086351168330146
Energy: 1.8387089744369756
Energy: 1.8988877036015444
Energy: 1.9375728219817676
Energy: 1.8988877035973153
Energy: 1.9375728219859965
Energy: 1.8988877036015444
Energy: 1.9375728219817676
Energy: 1.8988877035973153
Energy: 1.822808368309885
Energy: 1.8901557164391922
Energy: 1.8228083683014273
Energy: 1.8901557164391922
Energy: 1.822808368309885
Energy: 1.8901557164391922
Energy: 1.8228083682971987
Energy: 1.9575626521008904
Energy: 1.7924120571460163
Energy: 1.9575626521008904
Energy: 1.7924120571460163
Energy: 1.9575626521008904
Energy: 1.7924120571460163
Energy: 1.9575626521008904
Energy: 1.8432455095369562
Energy: 1.8086159442024137
Energy: 1.8432455095361104
Energy: 1.8086159441981848
Energy: 1.8432455095361104
Energy: 1.8086159442024137
Energy: 1.8432455095357259
Energy: 1.7930367508293745
Energy: 1.9473583696818308
Energy: 1.7930367508293745
Energy: 1.9473583696860601
Energy: 1.7930367508336034
Energy: 1.9473583696818308
Energy: 1.7930367508293745
Energy: 1.73080907385874
Energy: 1.8433073636034536
Energy: 1.730809073867198
Energy: 1.8433073636034536
Energy: 1.73080907385874
Energy: 1.8433073636034536
Energy: 1.730809073867198
Energy: 1.8455566570392528
Energy: 1.7917260103769406
Energy: 1.8455566570307949
Energy: 1.791726010372712
Energy: 1.8455566570392528
Energy: 1.7917260103769406
Energy: 1.8455566570307949
Energy: 1.735918174149982
Energy: 1.7771471808723258
Energy: 1.735918174149982
Energy: 1.7771471808723258
Energy: 1.735918174149982
Energy: 1.7771471808723258
Energy: 1.735918174149982
Energy: 1.7657032480213473
Energy: 1.957713115147753
Energy: 1.7657032480171957
Energy: 1.9577131151519815
Energy: 1.7657032480213473
Energy: 1.957713115147753
Energy: 1.7657032480171957
Energy: 1.7383548298112297
Energy: 1.7483943649040121
Energy: 1.7383548298112297
Energy: 1.7483943649040121
Energy: 1.7383548298112297
Energy: 1.7483943649040121
Energy: 1.7383548298112297
Energy: 1.86680957373345
Energy: 1.7298751326724076
Energy: 1.86680957373345
Energy: 1.7298751326766366
Energy: 1.86680957373345
Energy: 1.7298751326724076
Energy: 1.86680957373345
Energy: 1.710382641934068
Energy: 1.7148883876800274
Energy: 1.7103826419298391
Energy: 1.7148883876800274
Energy: 1.7103826419298391
Energy: 1.7148883876800274
Energy: 1.7103826419298391
Energy: 1.7233608624454166
Energy: 1.7221262035168454
Energy: 1.7233608624454166
Energy: 1.7221262035210743
Energy: 1.7233608624454166
Energy: 1.7221262035168454
Energy: 1.7233608624496457
Energy: 1.6728609001483412
Energy: 1.7728048644821361
Energy: 1.67286090015257
Energy: 1.772804864490594
Energy: 1.6728609001483412
Energy: 1.7728048644821361
Energy: 1.67286090015257
Energy: 1.7172700677241726
Energy: 1.7291750869368585
Energy: 1.7172700677284014
Energy: 1.72917508693263
Energy: 1.7172700677241726
Energy: 1.7291750869368585
Energy: 1.7172700677284014
Energy: 1.7507526111978582
Energy: 1.7193395160679155
Energy: 1.7507526111978582
Energy: 1.7193395160637635
Energy: 1.7507526111978582
Energy: 1.7193395160679155
Energy: 1.7507526111978582
Energy: 1.7234545015562914
Energy: 1.7495396422417817
Energy: 1.7234545015605203
Energy: 1.7495396422333238
Energy: 1.7234545015562914
Energy: 1.7495396422417817
Energy: 1.7234545015605203
Energy: 1.674774685886486
Energy: 1.7366062622464238
Energy: 1.6747746858822572
Energy: 1.7366062622506526
Energy: 1.674774685886486
Energy: 1.7366062622464238
Energy: 1.6747746858822572
Energy: 1.7214988399832083
Energy: 1.744474479831606
Energy: 1.7214988399832083
Energy: 1.7444744798273772
Energy: 1.7214988399832083
Energy: 1.744474479831606
Energy: 1.7214988399832083

minimum gb energy = 1.6728609001483412 eV
minimum distance =  2.49798201682672 Angstroms
sigma value = 365


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

Energy: 0.6321233780145139
Energy: 0.7379411801320521
Energy: 0.6321233780173743
Energy: 0.7379411801320521
Energy: 0.6321233780145139
Energy: 0.7379411801310984
Energy: 0.6321233780173743
Energy: 0.6321233780173743
Energy: 1.818558181582311
Energy: 1.818558181582311
Energy: 1.8185581815794503
Energy: 1.8185581815794503
Energy: 1.818558181582311
Energy: 1.818558181582311
Energy: 0.6321233780145139
Energy: 0.7379411801291916
Energy: 0.6321233780135604
Energy: 0.7379411801301451
Energy: 0.6321233780145139
Energy: 0.7379411801291916
Energy: 0.6321233780135604
Energy: 0.6321233780135604
Energy: 1.8185581815794503
Energy: 1.8185581815794503
Energy: 1.8185581815794503
Energy: 1.8185581815794503
Energy: 1.8185581815794503
Energy: 1.8185581815794503
Energy: 0.6321233780164208
Energy: 0.7379411801320521
Energy: 0.6321233780145139
Energy: 0.7379411801310984
Energy: 0.6321233780164208
Energy: 0.7379411801310984
Energy: 0.6321233780145139
Energy: 0.6321233780145139
Energy: 1.8185581815784968
Energy: 1.8185581815784968
Energy: 1.818558181582311
Energy: 1.818558181582311
Energy: 1.8185581815784968
Energy: 1.8185581815784968
Energy: 0.6321233780135604
Energy: 0.7379411801310984
Energy: 0.6321233780145139
Energy: 0.7379411801301451
Energy: 0.6321233780126071
Energy: 0.7379411801310984
Energy: 0.6321233780145139
Energy: 0.6321233780145139
Energy: 1.8185581815813576
Energy: 1.8185581815813576
Energy: 1.8185581815784968
Energy: 1.8185581815784968
Energy: 1.8185581815813576
Energy: 1.8185581815813576
Energy: 0.6321233780164208
Energy: 0.7379411801320521
Energy: 0.6321233780145139
Energy: 0.7379411801310984
Energy: 0.6321233780164208
Energy: 0.7379411801310984
Energy: 0.6321233780145139
Energy: 0.6321233780145139
Energy: 1.8185581815794503
Energy: 1.8185581815794503
Energy: 1.8185581815775436
Energy: 1.8185581815775436
Energy: 1.8185581815794503
Energy: 1.8185581815794503
Energy: 0.6321233780145139
Energy: 0.7379411801301451
Energy: 0.6321233780135604
Energy: 0.7379411801301451
Energy: 0.6321233780145139
Energy: 0.7379411801301451
Energy: 0.6321233780135604
Energy: 0.6321233780135604
Energy: 1.8185581815775436
Energy: 1.8185581815775436
Energy: 1.8185581815813576
Energy: 1.8185581815813576
Energy: 1.8185581815775436
Energy: 1.8185581815775436
Energy: 0.6321233780145139
Energy: 0.7379411801320521
Energy: 0.6321233780173743
Energy: 0.7379411801320521
Energy: 0.6321233780145139
Energy: 0.7379411801320521
Energy: 0.6321233780173743
Energy: 0.6321233780173743
Energy: 1.8185581815813576
Energy: 1.8185581815813576
Energy: 1.8185581815794503
Energy: 1.8185581815794503
Energy: 1.8185581815813576
Energy: 1.8185581815813576
Energy: 0.6321233780145139
Energy: 0.7379411801291916
Energy: 0.6321233780126071
Energy: 0.7379411801301451
Energy: 0.6321233780145139
Energy: 0.7379411801301451
Energy: 0.6321233780126071
Energy: 0.6321233780126071
Energy: 1.8185581815784968
Energy: 1.8185581815784968
Energy: 1.8185581815784968
Energy: 1.8185581815784968
Energy: 1.8185581815784968
Energy: 1.8185581815784968
Energy: 0.6321233780164208
Energy: 0.7379411801320521
Energy: 0.6321233780154675
Energy: 0.7379411801320521
Energy: 0.6321233780164208
Energy: 0.7379411801320521
Energy: 0.6321233780154675
Energy: 0.6321233780154675
Energy: 1.8185581815784968
Energy: 1.8185581815784968
Energy: 1.8185581815813576
Energy: 1.8185581815813576
Energy: 1.8185581815775436
Energy: 1.8185581815775436
Energy: 0.6321233780126071
Energy: 0.7379411801301451
Energy: 0.6321233780145139
Energy: 0.7379411801310984
Energy: 0.6321233780126071
Energy: 0.7379411801301451
Energy: 0.6321233780145139
Energy: 0.6321233780145139
Energy: 1.8185581815813576
Energy: 1.8185581815813576
Energy: 1.8185581815784968
Energy: 1.8185581815784968
Energy: 1.8185581815813576
Energy: 1.8185581815813576

minimum gb energy = 0.6321233780126071 eV
minimum distance =  2.49026041684046 Angstroms
sigma value = 23