Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
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=2.855324625968933
cohesive_energy=4.122759316666129
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: 0.015643617125292112
Energy: 0.5026690444906643
Energy: 0.015643617125679746
Energy: 0.5026690444898662
Energy: 0.015643617125292112
Energy: 0.5026690444886576
Energy: 0.015643617125679746
Energy: 0.01647274826874326
Energy: 0.5596080184197051
Energy: 0.01647274826874326
Energy: 0.5596080184200928
Energy: 0.01647274826874326
Energy: 0.5596080184197051
Energy: 0.01647274826833282
Energy: 0.41439013910533345
Energy: 0.5478986091066138
Energy: 0.414390139104923
Energy: 0.5478986092285595
Energy: 0.4143901391037373
Energy: 0.5478986093100086
Energy: 0.41439013910453537
Energy: 0.01647274826833282
Energy: 0.5596080184200928
Energy: 0.01647274826833282
Energy: 0.5596080184200928
Energy: 0.01647274826833282
Energy: 0.5596080184200928
Energy: 0.01647274826833282
Energy: 0.015643617125292112
Energy: 0.5026690444906643
Energy: 0.015643617125292112
Energy: 0.5026690444906643
Energy: 0.015643617125292112
Energy: 0.5026690444922831
Energy: 0.015643617125292112
Energy: 0.01647274826833282
Energy: 0.5596080184197051
Energy: 0.01647274826833282
Energy: 0.5596080184197051
Energy: 0.01647274826833282
Energy: 0.5596080184200928
Energy: 0.01647274826833282

minimum gb energy = 0.015643617125292112 eV
minimum distance =  2.46848320732337 Angstroms
sigma value = 5


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

Energy: 1.2708899188781262
Energy: 1.6735499007005739
Energy: 1.2708899188766551
Energy: 1.6735499007049863
Energy: 1.2708899188781262
Energy: 1.6735499007005739
Energy: 1.270889918877636
Energy: 1.2422168469694075
Energy: 1.2035684290299407
Energy: 1.2422168469674462
Energy: 1.2035684290284698
Energy: 1.2422168469694075
Energy: 1.2035684290299407
Energy: 1.2422168469674462
Energy: 1.1672147800293347
Energy: 1.1956295154887002
Energy: 1.1672147800342376
Energy: 1.1956295154867391
Energy: 1.167214780029825
Energy: 1.1956295154887002
Energy: 1.1672147800342376
Energy: 1.1730480805337042
Energy: 1.2366015964876351
Energy: 1.173048080533214
Energy: 1.236601596491067
Energy: 1.173048080533214
Energy: 1.2366015964881254
Energy: 1.1730480805327235
Energy: 1.1505756220608663
Energy: 1.2446209134093782
Energy: 1.150575622060376
Energy: 1.244620913410359
Energy: 1.1505756220608663
Energy: 1.2446209134093782
Energy: 1.150575622060376
Energy: 1.2666974177968908
Energy: 1.2821779028672582
Energy: 1.2666974177924784
Energy: 1.2821779028643165
Energy: 1.2666974177964005
Energy: 1.2821779028682387
Energy: 1.2666974177929686
Energy: 1.2442160322646594
Energy: 1.2761882510763025
Energy: 1.244216032270543
Energy: 1.2761882510782636
Energy: 1.244216032264169
Energy: 1.2761882510763025
Energy: 1.2442160322700524
Energy: 1.1929839059962304
Energy: 1.2804703041091683
Energy: 1.1929839059967207
Energy: 1.2804703041086778
Energy: 1.1929839059967207
Energy: 1.2804703041096586
Energy: 1.1929839059952498
Energy: 1.1927585343535376
Energy: 1.266945896472518
Energy: 1.1927585343589306
Energy: 1.2669458964705569
Energy: 1.192758534354028
Energy: 1.2669458964730083
Energy: 1.1927585343589306
Energy: 1.1707042499927556
Energy: 1.1427502271776215
Energy: 1.1707042499932458
Energy: 1.1427502271771313
Energy: 1.1707042499932458
Energy: 1.142750227176641
Energy: 1.1707042499927556
Energy: 1.215101409812285
Energy: 1.1724117837411396
Energy: 1.2151014098162072
Energy: 1.1724117837401589
Energy: 1.215101409812285
Energy: 1.1724117837406494
Energy: 1.2151014098162072
Energy: 1.213461413769194
Energy: 1.2025643646034545
Energy: 1.2134614137701747
Energy: 1.202564364599532
Energy: 1.213461413769194
Energy: 1.2025643646019832
Energy: 1.2134614137696842
Energy: 1.232787143098876
Energy: 1.2323555922148577
Energy: 1.2327871431018178
Energy: 1.2323555922177996
Energy: 1.232787143098876
Energy: 1.232355592215348
Energy: 1.2327871431013275
Energy: 1.1737764062158091
Energy: 1.2249606704794553
Energy: 1.1737764062133575
Energy: 1.2249606704760232
Energy: 1.1737764062162992
Energy: 1.2249606704799456
Energy: 1.1737764062128673
Energy: 1.2747892798223468
Energy: 1.2702265188077038
Energy: 1.2747892798238178
Energy: 1.270226518804762
Energy: 1.2747892798223468
Energy: 1.2702265188077038
Energy: 1.2747892798233276
Energy: 1.150906019311217
Energy: 1.2419690515707726
Energy: 1.1509060193072949
Energy: 1.2419690515693018
Energy: 1.1509060193107268
Energy: 1.2419690515707726
Energy: 1.1509060193072949
Energy: 1.301260151860437
Energy: 1.2931908868636106
Energy: 1.301260151856069
Energy: 1.2931908868631201
Energy: 1.301260151860437
Energy: 1.2931908868636106
Energy: 1.301260151856069
Energy: 1.171818851606266
Energy: 1.228665935062474
Energy: 1.1718188516043049
Energy: 1.2286659350634546
Energy: 1.1718188516067565
Energy: 1.228665935062964
Energy: 1.1718188516043049
Energy: 1.290794000833172
Energy: 1.3084239312486285
Energy: 1.2907940008346428
Energy: 1.3084239312525507
Energy: 1.290794000833172
Energy: 1.3084239312486285
Energy: 1.2907940008346428
Energy: 1.2404636799894928
Energy: 1.1961769527151744
Energy: 1.2404636799875315
Energy: 1.1961769527146842
Energy: 1.2404636799894928
Energy: 1.1961769527151744
Energy: 1.2404636799875315
Energy: 1.2092753360541815
Energy: 1.1688433974395278
Energy: 1.2092753360541815
Energy: 1.1688433974390375
Energy: 1.2092753360541815
Energy: 1.1688433974395278
Energy: 1.2092753360541815
Energy: 1.1922675617801275
Energy: 1.1733016708783723
Energy: 1.1922675617811083
Energy: 1.173301670879353
Energy: 1.1922675617801275
Energy: 1.1733016708788626
Energy: 1.1922675617811083
Energy: 1.1846398392240765
Energy: 1.2589437861523023
Energy: 1.1846398392260375
Energy: 1.2589437861527926
Energy: 1.1846398392240765
Energy: 1.2589437861527926
Energy: 1.1846398392260375
Energy: 1.171132653691821
Energy: 1.2528707021286936
Energy: 1.1711326536874083
Energy: 1.2528707021282033
Energy: 1.1711326536913307
Energy: 1.2528707021282033
Energy: 1.171132653686918
Energy: 1.230991389223028
Energy: 1.2690961869317052
Energy: 1.2309913892244988
Energy: 1.2690961869302344
Energy: 1.2309913892240085
Energy: 1.2690961869317052
Energy: 1.2309913892240085
Energy: 1.2677843201065802
Energy: 1.3498242339217876
Energy: 1.267784320107561
Energy: 1.349824233927671
Energy: 1.267784320107561
Energy: 1.3498242339217876
Energy: 1.2677843201085413
Energy: 1.1493598869303763
Energy: 1.250481260559207
Energy: 1.1493598869269444
Energy: 1.2504812605601876
Energy: 1.1493598869298862
Energy: 1.2504812605587166
Energy: 1.1493598869269444
Energy: 1.2954336255721162
Energy: 1.2469420831284816
Energy: 1.2954336255706453
Energy: 1.2469420831294622
Energy: 1.2954336255716261
Energy: 1.2469420831284816
Energy: 1.2954336255711356
Energy: 1.1666600095520485
Energy: 1.187788651102513
Energy: 1.1666600095500874
Energy: 1.187788651102513
Energy: 1.1666600095515585
Energy: 1.1877886511030036
Energy: 1.1666600095505777
Energy: 1.2621765821285131
Energy: 1.3132871506824213
Energy: 1.262176582133416
Energy: 1.3132871506838921
Energy: 1.2621765821285131
Energy: 1.3132871506819308
Energy: 1.2621765821329258
Energy: 1.224424965584137
Energy: 1.3317689588334003
Energy: 1.2244249655856079
Energy: 1.3317689588348711
Energy: 1.2244249655836468
Energy: 1.3317689588334003
Energy: 1.2244249655851176
Energy: 1.2529353347031589
Energy: 1.2021853233860982
Energy: 1.2529353347041394
Energy: 1.20218532338904
Energy: 1.2529353347026686
Energy: 1.2021853233860982
Energy: 1.2529353347041394
Energy: 1.1668130866447202
Energy: 1.1730778480350905
Energy: 1.166813086642759
Energy: 1.1730778480370516
Energy: 1.1668130866447202
Energy: 1.1730778480355808
Energy: 1.166813086642759
Energy: 1.1475487929280985
Energy: 1.2412083602932742
Energy: 1.147548792925647
Energy: 1.2412083602967061
Energy: 1.1475487929280985
Energy: 1.2412083602937645
Energy: 1.147548792925647
Energy: 1.1601125894201867
Energy: 1.2782417423534578
Energy: 1.1601125894211672
Energy: 1.278241742355419
Energy: 1.1601125894196964
Energy: 1.2782417423534578
Energy: 1.160112589420677
Energy: 1.2520297426611586
Energy: 1.2711606962396838
Energy: 1.2520297426596878
Energy: 1.2711606962421351
Energy: 1.2520297426611586
Energy: 1.2711606962391937
Energy: 1.2520297426591975
Energy: 1.2016508418454204
Energy: 1.2991097739639554
Energy: 1.2016508418400271
Energy: 1.2991097739639554
Energy: 1.2016508418478717
Energy: 1.2991097739639554
Energy: 1.2016508418439493
Energy: 1.1895867667842386
Energy: 1.269473878054983
Energy: 1.1895867667876707
Energy: 1.2694738780520416
Energy: 1.1895867667842386
Energy: 1.2694738780554735
Energy: 1.1895867667876707
Energy: 1.2791921027419433
Energy: 1.2480348689828993
Energy: 1.2791921027390016
Energy: 1.2480348689779965
Energy: 1.279192102741453
Energy: 1.2480348689828993
Energy: 1.279192102739492
Energy: 1.1577217931148542
Energy: 1.1658041526638903
Energy: 1.1577217931138735
Energy: 1.165804152665361
Energy: 1.1577217931153443
Energy: 1.1658041526638903
Energy: 1.1577217931143637
Energy: 1.2963872294392103
Energy: 1.1842262347697234
Energy: 1.29638722943823
Energy: 1.1842262347731554
Energy: 1.2963872294392103
Energy: 1.1842262347702137
Energy: 1.29638722943823
Energy: 1.1972294641832086
Energy: 1.2121307283821177
Energy: 1.1972294641846795
Energy: 1.2121307283835887
Energy: 1.1972294641832086
Energy: 1.2121307283816276
Energy: 1.1972294641846795
Energy: 1.2429176717293455
Energy: 1.2927459675495911
Energy: 1.2429176717264037
Energy: 1.2927459675520427
Energy: 1.242917671728855
Energy: 1.2927459675495911
Energy: 1.2429176717264037
Energy: 1.1743282743408112
Energy: 1.2604267708992636
Energy: 1.1743282743393404
Energy: 1.2604267708982828
Energy: 1.1743282743413015
Energy: 1.2604267708997536
Energy: 1.1743282743393404
Energy: 1.1598500597891757
Energy: 1.2560468684264448
Energy: 1.159850059784763
Energy: 1.2560468684244837
Energy: 1.1598500597896213
Energy: 1.2560468684264448
Energy: 1.159850059784763
Energy: 1.1637838786900931
Energy: 1.2268559279141007
Energy: 1.1637838786915642
Energy: 1.2268559279155715
Energy: 1.1637838786900931
Energy: 1.2268559279141007
Energy: 1.163783878691074
Energy: 1.190075496322311
Energy: 1.238709065162706
Energy: 1.190075496322311
Energy: 1.2387090651587838
Energy: 1.1900754963228013
Energy: 1.2387090651617256
Energy: 1.1900754963228013

minimum gb energy = 1.142750227176641 eV
minimum distance =  2.26354368685987 Angstroms
sigma value = 401


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

Energy: 1.3532296567548154
Energy: 1.3306466765506906
Energy: 1.2681342490497458
Energy: 1.3306466765523601
Energy: 1.3532296567603808
Energy: 1.3306466765523601
Energy: 1.2681342490503023
Energy: 1.2551970597063553
Energy: 1.2396255765649757
Energy: 1.1917939173035355
Energy: 1.2359121440612526
Energy: 1.2551970597096946
Energy: 1.2396255765638629
Energy: 1.191793917309101
Energy: 1.1950552993682535
Energy: 1.2328807652250606
Energy: 1.1952310864697342
Energy: 1.232529757875408
Energy: 1.1950552993665842
Energy: 1.232880765221165
Energy: 1.19523108647363
Energy: 1.2127607611001794
Energy: 1.3333511694197282
Energy: 1.212760761099623
Energy: 1.3266158824426575
Energy: 1.2127607610990663
Energy: 1.3333511694147193
Energy: 1.212760761099623
Energy: 1.2072681708922959
Energy: 1.3106353182257164
Energy: 1.2072681708911828
Energy: 1.310842093899681
Energy: 1.2072681708961917
Energy: 1.3106353182218207
Energy: 1.207268170894522
Energy: 1.2742914930898512
Energy: 1.3395623945962238
Energy: 1.2742914930876252
Energy: 1.33956239459845
Energy: 1.2742914930898512
Energy: 1.3395623945978934
Energy: 1.274291493093747
Energy: 1.260609711495404
Energy: 1.311282644262158
Energy: 1.2606097114909516
Energy: 1.311282644261045
Energy: 1.260609711485943
Energy: 1.3112826442632708
Energy: 1.2606097114920647
Energy: 1.270980452140175
Energy: 1.33952336363945
Energy: 1.2711811518549536
Energy: 1.339532912872454
Energy: 1.2709804521379489
Energy: 1.3395233636422326
Energy: 1.2711811518549536
Energy: 1.2609413466678556
Energy: 1.339398133543101
Energy: 1.2609566003448767
Energy: 1.3396607112527348
Energy: 1.260941346666186
Energy: 1.3393981335458836
Energy: 1.2609566003398678
Energy: 1.2075457702314099
Energy: 1.3105966370869626
Energy: 1.2075423359610975
Energy: 1.310596637088076
Energy: 1.2075457702319665
Energy: 1.3105966370897455
Energy: 1.207542335964993
Energy: 1.229890785420058
Energy: 1.3389523921497057
Energy: 1.2298894466167116
Energy: 1.3389523921502624
Energy: 1.2298907854217276
Energy: 1.338952392153045
Energy: 1.229889446611703
Energy: 1.194100154919967
Energy: 1.230796015827851
Energy: 1.1941001549216366
Energy: 1.2307960158350353
Energy: 1.1941001549244192
Energy: 1.2307960158306337
Energy: 1.194100154919967
Energy: 1.1909881926230415
Energy: 1.2186734834009512
Energy: 1.1909881926252672
Energy: 1.218673483397612
Energy: 1.1909881926219283
Energy: 1.2186734834054036
Energy: 1.1909881926202588
Energy: 1.2681342490586502
Energy: 1.330646676549021
Energy: 1.2681342490497458
Energy: 1.3306466765506906
Energy: 1.2681342490597634
Energy: 1.330646676551247
Energy: 1.2681342490514154
Energy: 1.1917939173085443
Energy: 1.218225437045782
Energy: 1.1917939173046486
Energy: 1.218340325850114
Energy: 1.191793917309101
Energy: 1.2182254370418861
Energy: 1.191793917309101
Energy: 1.1953139435506905
Energy: 1.232113271630972
Energy: 1.1953547699450466
Energy: 1.2320974240438398
Energy: 1.195313943549021
Energy: 1.2321132716326415
Energy: 1.1953547699450466
Energy: 1.2127607610990663
Energy: 1.313864421005885
Energy: 1.2127607610985098
Energy: 1.3139682539587487
Energy: 1.2127607610990663
Energy: 1.3138644210097805
Energy: 1.2127607610985098
Energy: 1.2072681708950785
Energy: 1.3106687246786053
Energy: 1.2072681708922959
Energy: 1.3106707013760257
Energy: 1.2072681708973048
Energy: 1.3106687246786053
Energy: 1.207268170895635
Energy: 1.2742914930898512
Energy: 1.3395623945956674
Energy: 1.2742914930876252
Energy: 1.3395623945967805
Energy: 1.2742914930898512
Energy: 1.3395623945956674
Energy: 1.2742914930931903
Energy: 1.2606097114965167
Energy: 1.311282644262158
Energy: 1.2606097114926211
Energy: 1.3112826442632708
Energy: 1.260609711487056
Energy: 1.3112826442660537
Energy: 1.2606097114931778
Energy: 1.2651598562775266
Energy: 1.3397699853848308
Energy: 1.2654854645919156
Energy: 1.3397896595772545
Energy: 1.2651598562808655
Energy: 1.3397699853792657
Energy: 1.2654854645908025
Energy: 1.2639383116440954
Energy: 1.339604191673822
Energy: 1.2639696954982151
Energy: 1.3394373051100525
Energy: 1.2639383116413128
Energy: 1.3396041916693697
Energy: 1.2639696954965456
Energy: 1.207422997840607
Energy: 1.3105966370858497
Energy: 1.2076448123447192
Energy: 1.3105966370858497
Energy: 1.2074229978422766
Energy: 1.3105966370891888
Energy: 1.2076448123480583
Energy: 1.2203690396331597
Energy: 1.3389523921508188
Energy: 1.21721131311511
Energy: 1.338952392151932
Energy: 1.2203690396320466
Energy: 1.3389523921508188
Energy: 1.2172113131134408
Energy: 1.1941001549210803
Energy: 1.230796015827851
Energy: 1.1941001549244192
Energy: 1.2307960158328597
Energy: 1.194100154926089
Energy: 1.230796015827851
Energy: 1.1941001549210803
Energy: 1.2550258242531624
Energy: 1.218673483399838
Energy: 1.1909881926230415
Energy: 1.2186734833970556
Energy: 1.2550258242570582
Energy: 1.2186734834037338
Energy: 1.1909881926191457
Energy: 1.3532296567570417
Energy: 1.3306466765479081
Energy: 1.2681342490469631
Energy: 1.330646676549021
Energy: 1.3532296567614939
Energy: 1.3306466765495777
Energy: 1.2681342490486327
Energy: 1.2551970597035729
Energy: 1.2396255765660888
Energy: 1.1917939173068748
Energy: 1.2359121440634786
Energy: 1.255197059708025
Energy: 1.2396255765633064
Energy: 1.1917939173118837
Energy: 1.1950552993688104
Energy: 1.2328807652278435
Energy: 1.1952310864714037
Energy: 1.2325297578748513
Energy: 1.1950552993660275
Energy: 1.2328807652228346
Energy: 1.19523108647363
Energy: 1.2127607610973967
Energy: 1.333351169418615
Energy: 1.2127607610968403
Energy: 1.3266158824448833
Energy: 1.2127607610990663
Energy: 1.3333511694147193
Energy: 1.2127607610973967
Energy: 1.2072681708961917
Energy: 1.3106353182284989
Energy: 1.2072681708922959
Energy: 1.3108420939002372
Energy: 1.2072681708989743
Energy: 1.3106353182223773
Energy: 1.2072681708973048
Energy: 1.2742914930904077
Energy: 1.3395623945956674
Energy: 1.2742914930876252
Energy: 1.33956239459845
Energy: 1.2742914930898512
Energy: 1.339562394597337
Energy: 1.2742914930931903
Energy: 1.2606097114965167
Energy: 1.311282644259932
Energy: 1.2606097114915082
Energy: 1.3112826442593752
Energy: 1.2606097114876125
Energy: 1.3112826442616012
Energy: 1.2606097114937342
Energy: 1.2709804521407315
Energy: 1.3395233636383368
Energy: 1.2711811518516145
Energy: 1.339532912872454
Energy: 1.2709804521379489
Energy: 1.3395233636388935
Energy: 1.2711811518549536
Energy: 1.260941346668412
Energy: 1.339398133544214
Energy: 1.2609566003459896
Energy: 1.3396607112527348
Energy: 1.2609413466667425
Energy: 1.3393981335481098
Energy: 1.2609566003398678
Energy: 1.2075457702319665
Energy: 1.3105966370875193
Energy: 1.2075423359622104
Energy: 1.3105966370875193
Energy: 1.2075457702330796
Energy: 1.3105966370891888
Energy: 1.2075423359672193
Energy: 1.229890785420058
Energy: 1.3389523921508188
Energy: 1.229889446613929
Energy: 1.3389523921536015
Energy: 1.2298907854206143
Energy: 1.3389523921524884
Energy: 1.2298894466083636
Energy: 1.1941001549210803
Energy: 1.2307960158272946
Energy: 1.1941001549244192
Energy: 1.2307960158334164
Energy: 1.194100154924976
Energy: 1.2307960158272946
Energy: 1.19410015492275
Energy: 1.1909881926224848
Energy: 1.218673483402621
Energy: 1.190988192624711
Energy: 1.2186734833992816
Energy: 1.1909881926197021
Energy: 1.2186734834042905
Energy: 1.190988192618589
Energy: 1.2681342490592067
Energy: 1.330646676549021
Energy: 1.2681342490553111
Energy: 1.330646676551247
Energy: 1.2681342490569807
Energy: 1.3306466765529166
Energy: 1.2681342490497458
Energy: 1.1917939173107706
Energy: 1.2182254370474512
Energy: 1.191793917305762
Energy: 1.218340325850114
Energy: 1.1917939173107706
Energy: 1.2182254370424426
Energy: 1.1917939173096574

minimum gb energy = 1.190988192618589 eV
minimum distance =  2.27910735267685 Angstroms
sigma value = 311


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

Energy: 1.260837687110553
Energy: 1.2601782871125782
Energy: 1.213065079521875
Energy: 1.3296371584326625
Energy: 1.2608376871111957
Energy: 1.260178287113221
Energy: 1.2130650795212325
Energy: 1.1965903995994112
Energy: 1.195514756783488
Energy: 1.2038779013893517
Energy: 1.263776480813555
Energy: 1.1965903995961982
Energy: 1.1955147567822026
Energy: 1.2038779013893517
Energy: 1.1798419700542664
Energy: 1.2267816470968083
Energy: 1.17977737460216
Energy: 1.3190917098092074
Energy: 1.1798419700542664
Energy: 1.2267816470974509
Energy: 1.1797773746047306
Energy: 1.341739229000378
Energy: 1.2893846351938667
Energy: 1.3340391731845478
Energy: 1.2893846351951521
Energy: 1.3417392289997354
Energy: 1.2893846351945093
Energy: 1.3340391731864758
Energy: 1.3108622252661692
Energy: 1.3166635739761723
Energy: 1.3108410528648107
Energy: 1.3166635739781
Energy: 1.3108622252674544
Energy: 1.3166635739761723
Energy: 1.310841052866096
Energy: 1.1954311895344274
Energy: 1.2984954396409354
Energy: 1.19543118953507
Energy: 1.2984954396409354
Energy: 1.1954311895318568
Energy: 1.2984954396415782
Energy: 1.1954311895312142
Energy: 1.2008497257463076
Energy: 1.2939081976121611
Energy: 1.200849725745665
Energy: 1.2939081976121611
Energy: 1.2008497257450221
Energy: 1.2939081976134463
Energy: 1.200849725743737
Energy: 1.2863156431239364
Energy: 1.266007748732338
Energy: 1.2863156431239364
Energy: 1.266007748732338
Energy: 1.286315643124579
Energy: 1.2660077487329806
Energy: 1.286315643124579
Energy: 1.262683797959874
Energy: 1.276089841719977
Energy: 1.262683797959874
Energy: 1.2760898417193343
Energy: 1.2626837979605166
Energy: 1.2760898417186917
Energy: 1.262683797959874
Energy: 1.173078220804415
Energy: 1.3255200620553456
Energy: 1.173072285878043
Energy: 1.3255289901007643
Energy: 1.1730782208037724
Energy: 1.3255200620572736
Energy: 1.1730722858806133
Energy: 1.1781186638718606
Energy: 1.329390979367981
Energy: 1.1781227688652474
Energy: 1.3293768259021561
Energy: 1.178118663871218
Energy: 1.3293909793666958
Energy: 1.178122768862677
Energy: 1.312729044330768
Energy: 1.344624508995013
Energy: 1.3127290443301254
Energy: 1.3444995856704385
Energy: 1.3127290443294828
Energy: 1.3446245089969409
Energy: 1.312729044330768
Energy: 1.2458720709637547
Energy: 1.324519260216083
Energy: 1.245872070966968
Energy: 1.324519260216083
Energy: 1.2458720709637547
Energy: 1.3245192602147975
Energy: 1.2458720709637547
Energy: 1.1769328554165417
Energy: 1.212300291173706
Energy: 1.1769328554152563
Energy: 1.2123002911743486
Energy: 1.176932855414614
Energy: 1.2123002911730634
Energy: 1.1769328554165417
Energy: 1.2349040571509997
Energy: 1.3013801605329782
Energy: 1.2349040571503571
Energy: 1.3013801605323356
Energy: 1.2349040571497143
Energy: 1.3013801605316928
Energy: 1.2349040571477865
Energy: 1.2083480541795737
Energy: 1.3053274120249758
Energy: 1.2083480541808589
Energy: 1.305327412021763
Energy: 1.2083480541815017
Energy: 1.3053274120249758
Energy: 1.2083480541795737
Energy: 1.2612255882680667
Energy: 1.1952952595505943
Energy: 1.2610005460062286
Energy: 1.1952952595486668
Energy: 1.2612255882687093
Energy: 1.1952952595486668
Energy: 1.2610005460062286
Energy: 1.2094712599253628
Energy: 1.1873566341883086
Energy: 1.2094717605333027
Energy: 1.187331011540425
Energy: 1.2094712599253628
Energy: 1.1873566341863808
Energy: 1.2094717605333027
Energy: 1.3268742190580185
Energy: 1.340329927211461
Energy: 1.3396896075119122
Energy: 1.3403299272108185
Energy: 1.3268742190580185
Energy: 1.3403299272127465
Energy: 1.3396896075119122
Energy: 1.2989360683571638
Energy: 1.3560501173777606
Energy: 1.280638462663316
Energy: 1.3539544656650107
Energy: 1.2989360683565212
Energy: 1.3560501173745474
Energy: 1.2806384626646015
Energy: 1.1770510329706376
Energy: 1.2104589563866175
Energy: 1.177051032971923
Energy: 1.21045895638726
Energy: 1.1770510329712802
Energy: 1.21045895638726
Energy: 1.1770510329706376
Energy: 1.2030574099895361
Energy: 1.2085145243085584
Energy: 1.2030574099882507
Energy: 1.2081407863802476
Energy: 1.2030574099882507
Energy: 1.2085145243066306
Energy: 1.2030574099901787
Energy: 1.3613838572793877
Energy: 1.258074630971581
Energy: 1.2898406789515702
Energy: 1.3269439725772243
Energy: 1.3613838572800303
Energy: 1.2580746309728663
Energy: 1.2898406789502848
Energy: 1.310371023283738
Energy: 1.2962196881927353
Energy: 1.2788157372107567
Energy: 1.3842773724502975
Energy: 1.310371023283738
Energy: 1.2962196881927353
Energy: 1.2788157372107567
Energy: 1.1877745442238539
Energy: 1.222982875086397
Energy: 1.1878913958232502
Energy: 1.3121669345088511
Energy: 1.187774544225139
Energy: 1.222982875085754
Energy: 1.1878913958226076
Energy: 1.2961249823051766
Energy: 1.2873026636873666
Energy: 1.3001999263515784
Energy: 1.2640709053280246
Energy: 1.296124982304534
Energy: 1.2873026636873666
Energy: 1.3001999263515784
Energy: 1.3872276455595833
Energy: 1.2940276623847256
Energy: 1.3769442980552624
Energy: 1.2940276623860105
Energy: 1.3872276455589407
Energy: 1.2940276623860105
Energy: 1.3769442980546198
Energy: 1.3056836337530282
Energy: 1.3455989705000588
Energy: 1.3056836337530282
Energy: 1.3455989705000588
Energy: 1.3056836337530282
Energy: 1.3455989705019866
Energy: 1.3056836337549562
Energy: 1.2023284930031353
Energy: 1.1868647339035503
Energy: 1.2023284930031353
Energy: 1.1868647339048355
Energy: 1.2023284930031353
Energy: 1.1868647339016223
Energy: 1.2023284930012077
Energy: 1.2682263601334012
Energy: 1.304468468925408
Energy: 1.2682263601327586
Energy: 1.30512418225919
Energy: 1.2682263601334012
Energy: 1.3044684689228374
Energy: 1.2682263601327586
Energy: 1.310330135237006
Energy: 1.2580592124669605
Energy: 1.3103301352395764
Energy: 1.2580592124663177
Energy: 1.310330135237006
Energy: 1.2580592124688883
Energy: 1.3103301352363634
Energy: 1.2037726047232247
Energy: 1.3196560384789395
Energy: 1.2035126873632815
Energy: 1.31963216641302
Energy: 1.2037726047225819
Energy: 1.3196560384802247
Energy: 1.2035126873639241
Energy: 1.1828762104545807
Energy: 1.214869826976778
Energy: 1.1828783950117614
Energy: 1.2148697305139147
Energy: 1.1828762104539379
Energy: 1.2148698269793483
Energy: 1.1828783950098336
Energy: 1.2765595616201666
Energy: 1.3962883726946704
Energy: 1.2765595616208094
Energy: 1.3957543261070786
Energy: 1.2765595616208094
Energy: 1.3962883726946704
Energy: 1.2765595616182388
Energy: 1.3542604995117993
Energy: 1.4139649202458324
Energy: 1.3168643299334748
Energy: 1.4139539315081489
Energy: 1.354260499510514
Energy: 1.4139649202458324
Energy: 1.3168643299334748
Energy: 1.1761907097607567
Energy: 1.2084622572480654
Energy: 1.1761907097594713
Energy: 1.2084622572474228
Energy: 1.176190709760114
Energy: 1.2084622572480654
Energy: 1.176190709760114

minimum gb energy = 1.173072285878043 eV
minimum distance =  2.24696722599655 Angstroms
sigma value = 39


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

Energy: 1.1941193692424892
Energy: 1.2188307346984788
Energy: 1.1941193692386969
Energy: 1.2188307346984788
Energy: 1.1941193692424892
Energy: 1.218830734699237
Energy: 1.1941193692386969
Energy: 1.2363868312824018
Energy: 1.1230845613926819
Energy: 1.2363868312824018
Energy: 1.1230845613934404
Energy: 1.2363868312824018
Energy: 1.1230845613926819
Energy: 1.2363868312816433
Energy: 1.1869631386505657
Energy: 1.1397248096704928
Energy: 1.1869631386543575
Energy: 1.1397248096727681
Energy: 1.1869631386505657
Energy: 1.139724809669734
Energy: 1.1869631386535993
Energy: 1.2377967024918137
Energy: 1.1370505828285664
Energy: 1.2377967024910552
Energy: 1.1370505828300832
Energy: 1.2377967024902967
Energy: 1.1370505828285664
Energy: 1.2377967024918137
Energy: 1.2403453152453916
Energy: 1.123050219945171
Energy: 1.2403453152438748
Energy: 1.1230502199459296
Energy: 1.2403453152446333
Energy: 1.123050219945171
Energy: 1.2403453152431163
Energy: 1.240332495268649
Energy: 1.123167623368222
Energy: 1.2403324952701655
Energy: 1.123167623369739
Energy: 1.240332495268649
Energy: 1.1231676233689805
Energy: 1.2403324952694073
Energy: 1.2373448435775394
Energy: 1.141098362211995
Energy: 1.237344843575264
Energy: 1.1410983622104782
Energy: 1.2373448435767809
Energy: 1.141098362211995
Energy: 1.2373448435760226
Energy: 1.2172875048408647
Energy: 1.1382730523437727
Energy: 1.2172875048416234
Energy: 1.138273052342256
Energy: 1.2172875048408647
Energy: 1.1382730523430145
Energy: 1.2172875048423817
Energy: 1.2624540088366136
Energy: 1.123102170999575
Energy: 1.2624540088343383
Energy: 1.123102170999575
Energy: 1.2624540088373717
Energy: 1.123102170999575
Energy: 1.2624540088335798
Energy: 1.1935287670956725
Energy: 1.2195505578882384
Energy: 1.1935287670949144
Energy: 1.2195505578867216
Energy: 1.1935287670956725
Energy: 1.2195505578882384
Energy: 1.1935287670949144
Energy: 1.2483468861460474
Energy: 1.1392950104987147
Energy: 1.2483468861468057
Energy: 1.1392950104994735
Energy: 1.2483468861460474
Energy: 1.1392950104964394
Energy: 1.2483468861460474
Energy: 1.2009784732224003
Energy: 1.1382351558641597
Energy: 1.200978473221642
Energy: 1.1382351558656765
Energy: 1.2009784732224003
Energy: 1.1382351558634012
Energy: 1.200978473221642
Energy: 1.3056639227324789
Energy: 1.1307088892537216
Energy: 1.3056639227339957
Energy: 1.1307088892537216
Energy: 1.3056639227332372
Energy: 1.1307088892537216
Energy: 1.3056639227339957
Energy: 1.200998676646301
Energy: 1.138506149546326
Energy: 1.200998676646301
Energy: 1.1385061495478428
Energy: 1.200998676646301
Energy: 1.138506149546326
Energy: 1.200998676646301
Energy: 1.224288836301352
Energy: 1.204460245395402
Energy: 1.2242888363043853
Energy: 1.2044602453969189
Energy: 1.224288836301352
Energy: 1.204460245395402
Energy: 1.2242888363043853
Energy: 1.2009366302679625
Energy: 1.1384305619634476
Energy: 1.2009366302687208
Energy: 1.1384305619649644
Energy: 1.2009366302679625
Energy: 1.1384305619634476
Energy: 1.2009366302687208
Energy: 1.3057170575214652
Energy: 1.1306657370832958
Energy: 1.3057170575252572
Energy: 1.1306657370840543
Energy: 1.305717057522982
Energy: 1.1306657370840543
Energy: 1.305717057524499
Energy: 1.200914342762243
Energy: 1.1382056658288966
Energy: 1.2009143427645184
Energy: 1.1382056658296547
Energy: 1.2009143427630016
Energy: 1.1382056658296547
Energy: 1.2009143427637599
Energy: 1.2373680942139447
Energy: 1.1420604755615809
Energy: 1.2373680942177372
Energy: 1.1420604755630974
Energy: 1.237368094212428
Energy: 1.1420604755615809
Energy: 1.2373680942169785
Energy: 1.1935123014878168
Energy: 1.2195768158218592
Energy: 1.1935123014923672
Energy: 1.2195768158226175
Energy: 1.1935123014878168
Energy: 1.2195768158218592
Energy: 1.1935123014923672
Energy: 1.262851284005046
Energy: 1.1230356569178144
Energy: 1.262851284006563
Energy: 1.123035656915539
Energy: 1.2628512840042878
Energy: 1.1230356569178144
Energy: 1.2628512840073214
Energy: 1.2171346118284085
Energy: 1.1382539218199594
Energy: 1.2171346118284085
Energy: 1.1382539218184426
Energy: 1.2171346118284085
Energy: 1.138253921819201
Energy: 1.2171346118291324
Energy: 1.2371882250018993
Energy: 1.1415640596312617
Energy: 1.2371882249958321
Energy: 1.1415640596327787
Energy: 1.2371882249981074
Energy: 1.1415640596312617
Energy: 1.2371882249981074
Energy: 1.240313101400336
Energy: 1.123155575500151
Energy: 1.2403131014041282
Energy: 1.1231555754971174
Energy: 1.240313101400336
Energy: 1.1231555754986342
Energy: 1.24031310140337
Energy: 1.2401280918645194
Energy: 1.123046810896784
Energy: 1.2401280918637612
Energy: 1.123046810896784
Energy: 1.2401280918660365
Energy: 1.123046810896784
Energy: 1.2401280918637612
Energy: 1.2370908976443626
Energy: 1.137095296730238
Energy: 1.2370908976458797
Energy: 1.137095296730238
Energy: 1.2370908976451211
Energy: 1.1370952967294796
Energy: 1.2370908976451211
Energy: 1.187053239561782
Energy: 1.1397968191301338
Energy: 1.1870532395632991
Energy: 1.1397968191278587
Energy: 1.187053239561782
Energy: 1.1397968191308923
Energy: 1.1870532395625408
Energy: 1.2363306848698403
Energy: 1.123081947391728
Energy: 1.236330684867565
Energy: 1.1230819473894527
Energy: 1.2363306848698403
Energy: 1.123081947391728
Energy: 1.2363306848698403
Energy: 1.1941193692424892
Energy: 1.2188307346999956
Energy: 1.1941193692394554
Energy: 1.2188307346984788
Energy: 1.1941193692424892
Energy: 1.2188307346999956
Energy: 1.1941193692386969
Energy: 1.2363868312801265
Energy: 1.1230845613926819
Energy: 1.2363868312801265
Energy: 1.1230845613934404
Energy: 1.236386831279368
Energy: 1.1230845613926819
Energy: 1.236386831279368

minimum gb energy = 1.123035656915539 eV
minimum distance =  2.23506647376083 Angstroms
sigma value = 21


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

Energy: 1.2480095181298827
Energy: 1.2769524864419288
Energy: 1.2480095181289828
Energy: 1.2769524864419288
Energy: 1.2480095181298827
Energy: 1.2769524864419288
Energy: 1.2480095181298827
Energy: 1.1217064751885526
Energy: 1.092536840869272
Energy: 1.1217064751885526
Energy: 1.0925368408701925
Energy: 1.1217064751894734
Energy: 1.092536840869272
Energy: 1.1217064751885526
Energy: 1.2611344949785912
Energy: 1.1620664697000187
Energy: 1.2611344949776704
Energy: 1.16206646970186
Energy: 1.2611344949776704
Energy: 1.16206646970186
Energy: 1.2611344949776704
Energy: 1.1236040211244702
Energy: 1.0950478348806303
Energy: 1.1236040211244702
Energy: 1.095047834881551
Energy: 1.1236040211244702
Energy: 1.0950478348806303
Energy: 1.1236040211244702
Energy: 1.0540422895107564
Energy: 1.1381293739080727
Energy: 1.0540422895107564
Energy: 1.138129373907152
Energy: 1.0540422895107564
Energy: 1.1381293739080727
Energy: 1.054042289511677
Energy: 1.0678261008169556
Energy: 1.0987674895480064
Energy: 1.0678261008169556
Energy: 1.0987674895470858
Energy: 1.067826100816035
Energy: 1.0987674895480064
Energy: 1.0678261008169556
Energy: 1.0706931110557674
Energy: 1.15604145501654
Energy: 1.070693111056688
Energy: 1.15604145501654
Energy: 1.0706931110557674
Energy: 1.15604145501654
Energy: 1.070693111056688
Energy: 1.0678380299394956
Energy: 1.0816690067482668
Energy: 1.0678380299385752
Energy: 1.0816690067464254
Energy: 1.0678380299394956
Energy: 1.0816690067482668
Energy: 1.0678380299385752
Energy: 1.1153405345950738
Energy: 1.0817715047962282
Energy: 1.1153405345950738
Energy: 1.0817715047962282
Energy: 1.1153405345950738
Energy: 1.0817715047962282
Energy: 1.1153405345959946
Energy: 1.0713775843084108
Energy: 1.1360748572235173
Energy: 1.0713775843084108
Energy: 1.1360748572253585
Energy: 1.0713775843084108
Energy: 1.1360748572235173
Energy: 1.0713775843084108
Energy: 1.0603112823358043
Energy: 1.1013914768474578
Energy: 1.0603112823367251
Energy: 1.1013914768474578
Energy: 1.0603112823367251
Energy: 1.1013914768483786
Energy: 1.0603112823367251
Energy: 1.0533497194213266
Energy: 1.1293202430824987
Energy: 1.0533497194222472
Energy: 1.1293202430824987
Energy: 1.0533497194213266
Energy: 1.1293202430824987
Energy: 1.0533497194222472
Energy: 1.1068068331917802
Energy: 1.0854487036464187
Energy: 1.1068068331927006
Energy: 1.085448703647339
Energy: 1.1068068331917802
Energy: 1.0854487036464187
Energy: 1.1068068331927006
Energy: 1.1631147277914238
Energy: 1.1625459828385902
Energy: 1.1631147277914238
Energy: 1.1625459828395108
Energy: 1.1631147277914238
Energy: 1.1625459828413522
Energy: 1.1631147277914238
Energy: 1.1199287723578715
Energy: 1.1005688703814758
Energy: 1.119928772356951
Energy: 1.1005688703814758
Energy: 1.1199287723578715
Energy: 1.1005688703814758
Energy: 1.119928772356951
Energy: 1.2388957812125623
Energy: 1.2120578936676871
Energy: 1.238895781210721
Energy: 1.2120578936686077
Energy: 1.238895781213483
Energy: 1.2120578936667663
Energy: 1.2388957812116417
Energy: 1.1453701224412751
Energy: 1.1058383340155287
Energy: 1.1453701224412751
Energy: 1.1058383340136873
Energy: 1.1453701224412751
Energy: 1.105838334014608
Energy: 1.1453701224412751
Energy: 1.1631320227928688
Energy: 1.1623900395528886
Energy: 1.1631320227928688
Energy: 1.162390039558392
Energy: 1.1631320227919482
Energy: 1.162390039551968
Energy: 1.1631320227928688
Energy: 1.1436010717023406
Energy: 1.1006641001176707
Energy: 1.1436010717041818
Energy: 1.1006641001176707
Energy: 1.1436010717023406
Energy: 1.1006641001167499
Energy: 1.1436010717041818
Energy: 1.0533353647758468
Energy: 1.093248431415024
Energy: 1.0533353647767671
Energy: 1.0932484314159447
Energy: 1.0533353647758468
Energy: 1.093248431415024
Energy: 1.053335364777688
Energy: 1.1053615292240857
Energy: 1.170579689216429
Energy: 1.1053615292250065
Energy: 1.170579689216429
Energy: 1.1053615292240857
Energy: 1.170579689216429
Energy: 1.1053615292240857
Energy: 1.074867709043282
Energy: 1.1566815468652847
Energy: 1.074867709041441
Energy: 1.1566815468671259
Energy: 1.074867709043282
Energy: 1.1566815468652847
Energy: 1.0748677090423613
Energy: 1.1383856866665962
Energy: 1.1006482983563048
Energy: 1.1383856866675168
Energy: 1.1006482983563048
Energy: 1.1383856866656756
Energy: 1.1006482983563048
Energy: 1.1383856866675168
Energy: 1.1177493487262882
Energy: 1.0921909728361987
Energy: 1.1177493487262882
Energy: 1.0921909728361987
Energy: 1.1177493487262882
Energy: 1.0921909728361987
Energy: 1.1177493487262882
Energy: 1.1008821531894875
Energy: 1.1559459862355135
Energy: 1.1008821531885669
Energy: 1.1559459862336723
Energy: 1.1008821531894875
Energy: 1.1559459862355135
Energy: 1.1008821531885669

minimum gb energy = 1.0533353647758468 eV
minimum distance =  2.28116263791212 Angstroms
sigma value = 113


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

Energy: 1.0524251428339282
Energy: 1.1025101549810872
Energy: 1.0524251428298177
Energy: 1.1025101549795455
Energy: 1.0524251428339282
Energy: 1.1025101549780043
Energy: 1.0524251428313594
Energy: 1.0149989294767567
Energy: 0.9570472514612058
Energy: 1.0149989294793256
Energy: 0.9570472514591506
Energy: 1.0149989294767567
Energy: 0.9570472514612058
Energy: 1.014998929478812
Energy: 1.0285165662222073
Energy: 0.9936268845777316
Energy: 1.028516566217583
Energy: 0.9936268845731071
Energy: 1.0285165662222073
Energy: 0.9936268845761901
Energy: 1.0285165662180966
Energy: 0.972024706213889
Energy: 0.9709912507390962
Energy: 0.9720247062164581
Energy: 0.9709912507401238
Energy: 0.9720247062144028
Energy: 0.9709912507385823
Energy: 0.972024706216972
Energy: 0.9897643362138164
Energy: 1.0278480707680777
Energy: 0.9897643362117611
Energy: 1.0278480707649946
Energy: 0.9897643362143301
Energy: 1.0278480707639672
Energy: 0.9897643362117611
Energy: 0.9650563457983778
Energy: 0.955845158035556
Energy: 0.9650563457973502
Energy: 0.9558451580376114
Energy: 0.9650563457983778
Energy: 0.95584515803607
Energy: 0.9650563457973502
Energy: 0.9805134898757081
Energy: 0.9810123416093521
Energy: 0.9805134898757081
Energy: 0.9810123416067829
Energy: 0.9805134898757081
Energy: 0.9810123416083245
Energy: 0.9805134898762219
Energy: 0.9680460027125352
Energy: 0.9391542867253353
Energy: 0.9680460027120213
Energy: 0.9391542867243077
Energy: 0.9680460027120213
Energy: 0.9391542867258492
Energy: 0.9680460027115075
Energy: 0.9601918451588677
Energy: 0.9720684091725003
Energy: 0.9601918451619509
Energy: 0.9720684091709587
Energy: 0.9601918451604092
Energy: 0.9720684091735278
Energy: 0.9601918451614369
Energy: 0.972802439399124
Energy: 0.9223768538735946
Energy: 0.9728024394021605
Energy: 0.9223768538725671
Energy: 0.9728024393995911
Energy: 0.9223768538735946
Energy: 0.9728024394021605
Energy: 0.9519173561308802
Energy: 0.9390608878878106
Energy: 0.9519173561324216
Energy: 0.9390608878893522
Energy: 0.9519173561303662
Energy: 0.9390608878888382
Energy: 0.9519173561324216
Energy: 0.9868839817134673
Energy: 0.9508640180821535
Energy: 0.9868839817155227
Energy: 0.950864018083695
Energy: 0.9868839817139812
Energy: 0.9508640180821535
Energy: 0.9868839817160365
Energy: 0.9015512809210882
Energy: 0.9879555413092778
Energy: 0.9015512809205743
Energy: 0.9879555413092778
Energy: 0.901551280921602
Energy: 0.9879555413092778
Energy: 0.9015512809200605
Energy: 0.9537416367967865
Energy: 0.9210504518389192
Energy: 0.9537416367947312
Energy: 0.921050451839433
Energy: 0.9537416367957589
Energy: 0.921050451839433
Energy: 0.9537416367942173
Energy: 0.9409225668669675
Energy: 0.9123895310087318
Energy: 0.9409225668664537
Energy: 0.9123895310097594
Energy: 0.9409225668669675
Energy: 0.9123895310102732
Energy: 0.9409225668669675
Energy: 1.006659506386024
Energy: 0.9901857024904944
Energy: 1.006659506379344
Energy: 0.9901857024879254
Energy: 1.006659506386024
Energy: 0.9901857024879254
Energy: 1.0066595063798578
Energy: 0.9010173556839346
Energy: 0.9205617554495987
Energy: 0.9010173556829069
Energy: 0.9205617554454881
Energy: 0.9010173556818792
Energy: 0.9205617554501127
Energy: 0.9010173556829069
Energy: 0.9650980892762395
Energy: 0.9367189495535904
Energy: 0.9650980892793225
Energy: 0.9367189495561598
Energy: 0.9650980892767533
Energy: 0.9367189495546182
Energy: 0.9650980892793225
Energy: 0.9544144697760805
Energy: 0.9148374978780595
Energy: 0.9544144697719698
Energy: 0.9148374978770318
Energy: 0.9544144697760805
Energy: 0.9148374978780595
Energy: 0.9544144697724836
Energy: 0.9599851534880136
Energy: 0.9980119046975893
Energy: 0.9599851534905828
Energy: 0.9980119046975893
Energy: 0.9599851534885273
Energy: 0.9980119046971222
Energy: 0.9599851534905828
Energy: 0.9554126348827462
Energy: 0.9204286578776885
Energy: 0.9554126348822325
Energy: 0.9204286578751193
Energy: 0.9554126348837737
Energy: 0.9204286578776885
Energy: 0.9554126348812046
Energy: 0.9865003734334927
Energy: 0.9565698833555826
Energy: 0.9865003734365758
Energy: 0.9565698833571242
Energy: 0.986500373432979
Energy: 0.9565698833555826
Energy: 0.9865003734370896
Energy: 0.9597253341703856
Energy: 0.9744831473396849
Energy: 0.9597253341719272
Energy: 0.9744831473396849
Energy: 0.9597253341714135
Energy: 0.9744831473391712
Energy: 0.9597253341719272
Energy: 0.9623409757704416
Energy: 1.0239067060368234
Energy: 0.962340975769414
Energy: 1.023906706035282
Energy: 0.9623409757709555
Energy: 1.0239067060363098
Energy: 0.9623409757689001
Energy: 0.9446308509648826
Energy: 0.9682572549227336
Energy: 0.9446308509684797
Energy: 0.9682572549211921
Energy: 0.9446308509777286
Energy: 0.9682572549227336
Energy: 0.9446308509787563
Energy: 1.0199106380515786
Energy: 0.964432029295716
Energy: 1.0199106380515786
Energy: 0.9644320292895501
Energy: 1.019910638050037
Energy: 0.9644320292926332
Energy: 1.01991063805312
Energy: 1.0189846079187848
Energy: 0.9568599229649937
Energy: 1.0189846079198124
Energy: 0.9568599229588277
Energy: 1.0189846079187848
Energy: 0.956859922952148
Energy: 1.0189846079198124
Energy: 1.0413384380359174
Energy: 1.0680424204742938
Energy: 1.0413384380333484
Energy: 1.0680424206068162
Energy: 1.0413384380359174
Energy: 1.0680424204778907
Energy: 1.0413384380333484
Energy: 1.0783262821210242
Energy: 0.9576924617869067
Energy: 1.0783262820789365
Energy: 0.9576924617920451
Energy: 1.0783262819428172
Energy: 0.9576924617869067
Energy: 1.0783262820465649
Energy: 1.0095706345836206
Energy: 0.9643201699508904
Energy: 1.0095706345825928
Energy: 0.9643201699580373
Energy: 1.0095706345841344
Energy: 0.9643201699503765
Energy: 1.0095706345831066
Energy: 0.9771915266494007
Energy: 1.1129343059336902
Energy: 0.9771915266560804
Energy: 1.1129343059300936
Energy: 0.9771915266540251
Energy: 1.1129343059347179
Energy: 0.9771915266581358
Energy: 0.9632801410383588
Energy: 0.9979234431660597
Energy: 0.9632801410393863
Energy: 0.9979234432533647
Energy: 0.9632801410383588
Energy: 0.997923443186613
Energy: 0.963280141037331
Energy: 1.0403635147022554
Energy: 0.9550152418478842
Energy: 1.0403635147012278
Energy: 0.9550152418468566
Energy: 1.0403635147027692
Energy: 0.9550152418473704
Energy: 1.0403635147017416
Energy: 0.9717018136438409
Energy: 0.9626323199581601
Energy: 0.9717018136438409
Energy: 0.962632319955077
Energy: 0.971701813643327
Energy: 0.9626323199581601
Energy: 0.9717018136438409
Energy: 0.9702258246461424
Energy: 1.058382048436549
Energy: 0.9702258246466563
Energy: 1.058382048430897
Energy: 0.9702258246466563
Energy: 1.058382048436549
Energy: 0.9702258246466563
Energy: 0.9347570161994313
Energy: 0.9901702591415735
Energy: 0.9347570162040558
Energy: 0.9901702591384903
Energy: 0.9347570161984035
Energy: 0.9901702591420872
Energy: 0.9347570162040558
Energy: 0.9405142093706521
Energy: 0.9211434823464766
Energy: 0.9405142093716798
Energy: 0.9211434823464766
Energy: 0.9405142093721937
Energy: 0.9211434823464766
Energy: 0.9405142093727075
Energy: 0.9605382615633542
Energy: 0.9180529972265395
Energy: 0.9605382615643819
Energy: 0.9180529972296224
Energy: 0.9605382615633542
Energy: 0.9180529972270534
Energy: 0.9605382615638682
Energy: 0.9473136233945804
Energy: 0.9693583727388292
Energy: 0.9473136234012601
Energy: 0.9693583727388292
Energy: 0.9473136233940662
Energy: 0.9693583727383154
Energy: 0.9473136234012601
Energy: 0.9013731205285102
Energy: 1.0021509303051996
Energy: 0.9013731205290241
Energy: 1.0021509303026304
Energy: 0.9013731205279963
Energy: 1.0021509303051996
Energy: 0.9013731205295379
Energy: 0.9405843573306462
Energy: 0.9199303353491063
Energy: 0.9405843573341962
Energy: 0.9199303353521892
Energy: 0.9405843573306462
Energy: 0.9199303353491063
Energy: 0.940584357333729
Energy: 0.9454291054357319
Energy: 0.912528421716395
Energy: 0.9454291054377872
Energy: 0.9125284217117705
Energy: 0.9454291054357319
Energy: 0.912528421716395
Energy: 0.9454291054383009
Energy: 0.93329922333955
Energy: 0.9881114755887532
Energy: 0.93329922333955
Energy: 0.9881114755882395
Energy: 0.9332992233385222
Energy: 0.9881114755856703
Energy: 0.93329922333955
Energy: 0.9021958128610224
Energy: 0.9195864845848393
Energy: 0.9021958128610224
Energy: 0.9195864845843255
Energy: 0.9021958128610224
Energy: 0.9195864845843255
Energy: 0.9021958128610224
Energy: 0.9322099571453527
Energy: 0.934287848114064
Energy: 0.9322099571458664
Energy: 0.9342878481145777
Energy: 0.9322099571458664
Energy: 0.934287848114064
Energy: 0.9322099571463803

minimum gb energy = 0.9010173556818792 eV
minimum distance =  2.2692940882539 Angstroms
sigma value = 365


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

Energy: 0.39984001961217364
Energy: 0.3225677015281241
Energy: 0.39984001961217364
Energy: 0.32256770152696557
Energy: 0.39984001961217364
Energy: 0.3225677015281241
Energy: 0.39984001961217364
Energy: 1.9293509122243222
Energy: 1.0606792687611621
Energy: 1.9293506175059447
Energy: 1.0606792687600037
Energy: 1.9293506015199278
Energy: 1.0606792687611621
Energy: 1.9293507426890804
Energy: 0.39984001961449067
Energy: 0.3225677015281241
Energy: 0.39984001961449067
Energy: 0.32256770152696557
Energy: 0.39984001961449067
Energy: 0.3225677015281241
Energy: 0.39984001961449067
Energy: 2.5860871980508016
Energy: 1.0606792687600037
Energy: 2.586085555484099
Energy: 1.0606792687600037
Energy: 2.5860818618936046
Energy: 1.0606792687611621
Energy: 2.586081219732484
Energy: 0.39984001961217364
Energy: 0.32256770152696557
Energy: 0.39984001961217364
Energy: 0.3225677015281241
Energy: 0.39984001961217364
Energy: 0.32256770152696557
Energy: 0.39984001961217364
Energy: 1.9293514964628764
Energy: 1.0606792687600037
Energy: 1.9293514560132121
Energy: 1.0606792687611621
Energy: 1.9293509392957848
Energy: 1.0606792687611621
Energy: 1.9293514335655957
Energy: 0.39984001961449067
Energy: 0.32256770152696557
Energy: 0.39984001961449067
Energy: 0.3225677015281241
Energy: 0.39984001961449067
Energy: 0.32256770152696557
Energy: 0.39984001961449067
Energy: 1.8959619251769404
Energy: 1.0606792687611621
Energy: 1.895961147951554
Energy: 1.0606792687623208
Energy: 1.8959635284855252
Energy: 1.0606792687611621
Energy: 1.8959607555152103
Energy: 0.39984001961217364
Energy: 0.3225677015281241
Energy: 0.39984001961217364
Energy: 0.32256770152696557
Energy: 0.39984001961217364
Energy: 0.3225677015281241
Energy: 0.39984001961217364
Energy: 1.929351339181483
Energy: 1.0606792687611621
Energy: 1.9293516540222047
Energy: 1.0606792687611621
Energy: 1.9293512192243256
Energy: 1.0606792687600037
Energy: 1.9293511776815089
Energy: 0.39984001961449067
Energy: 0.32256770152696557
Energy: 0.39984001961449067
Energy: 0.32256770152696557
Energy: 0.39984001961449067
Energy: 0.32256770152696557
Energy: 0.39984001961449067
Energy: 1.8959638536161436
Energy: 1.0606792687611621
Energy: 1.8959731204259966
Energy: 1.0606792687611621
Energy: 1.895963421736374
Energy: 1.0606792687611621
Energy: 1.8959686659354156
Energy: 0.39984001961217364
Energy: 0.3225677015281241
Energy: 0.39984001961217364
Energy: 0.32256770152696557
Energy: 0.39984001961217364
Energy: 0.3225677015281241
Energy: 0.39984001961217364
Energy: 1.8959667103935227
Energy: 1.0606792687611621
Energy: 1.8959611218285095
Energy: 1.0606792687611621
Energy: 1.8959629622849319
Energy: 1.0606792687611621
Energy: 1.8959619804627554
Energy: 0.39984001961449067
Energy: 0.3225677015281241
Energy: 0.39984001961449067
Energy: 0.32256770152696557
Energy: 0.39984001961449067
Energy: 0.3225677015281241
Energy: 0.39984001961449067
Energy: 1.8959613584842208
Energy: 1.0606792687600037
Energy: 1.8959627272469377
Energy: 1.0606792687600037
Energy: 1.8959606290849205
Energy: 1.0606792687611621
Energy: 1.8959646208665875
Energy: 0.39984001961217364
Energy: 0.32256770152696557
Energy: 0.39984001961217364
Energy: 0.3225677015281241
Energy: 0.39984001961217364
Energy: 0.32256770152696557
Energy: 0.39984001961217364
Energy: 1.895969964241518
Energy: 1.0606792687623208
Energy: 1.8959632894825824
Energy: 1.0606792687611621
Energy: 1.895965505874035
Energy: 1.0606792687611621
Energy: 1.8959610903509199
Energy: 0.39984001961449067
Energy: 0.32256770152696557
Energy: 0.39984001961449067
Energy: 0.32256770152696557
Energy: 0.39984001961449067
Energy: 0.32256770152696557
Energy: 0.39984001961449067
Energy: 1.8959660810825896
Energy: 1.0606792687611621
Energy: 1.8959621347229847
Energy: 1.0606792687623208
Energy: 1.8959647402991804
Energy: 1.0606792687611621
Energy: 1.895963913808348

minimum gb energy = 0.32256770152696557 eV
minimum distance =  2.25558413298108 Angstroms
sigma value = 23