Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324894189835
cohesive_energy=4.1227593179916635
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.012772695698737027
Energy: 0.012892778918806304
Energy: 2.7706529571064147
Energy: 0.01289277891978374
Energy: 0.01289277891978374
Energy: 0.013171456151384391
Energy: 0.4267274239167198
Energy: 0.013171456151384391
Energy: 2.7706529571064147
Energy: 0.4267274239167198
Energy: 0.42638079911692006
Energy: 0.4267274239167198
Energy: 0.01289277891978374
Energy: 0.013171456151384391
Energy: 0.4267274239167198
Energy: 0.013171456151384391

minimum gb energy = 0.012772695698737027 eV
minimum distance =  2.47005797916779 Angstroms
sigma value = 1


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

Energy: 1.3938954252646765
Energy: 1.2075875636251283
Energy: 2.238084214175227
Energy: 1.2075875636178126
Energy: 1.4254023520002281
Energy: 0.8936872268572575
Energy: 1.0405726552851704
Energy: 0.8936872268499416
Energy: 1.5063667564893117
Energy: 0.904363966363403
Energy: 0.8974617071174781
Energy: 0.9043639663585258
Energy: 1.3117342116556578
Energy: 0.8956938883194318
Energy: 0.9765254849350854
Energy: 0.8956938883218704
Energy: 1.312260384824933
Energy: 0.8955913214350558
Energy: 1.282957622077679
Energy: 0.8955913214387138
Energy: 1.4246073529741814
Energy: 0.8897342383351144
Energy: 0.8888627010481367
Energy: 0.8897342383363337
Energy: 1.0917498469875033
Energy: 1.1412678568107772
Energy: 0.8887689767827851
Energy: 1.1412678568095578
Energy: 0.8944883071952798
Energy: 0.888087474611034
Energy: 1.2742811237963139
Energy: 0.8880874746085955
Energy: 1.0998277285809088
Energy: 1.0346876194921104
Energy: 1.2628613637286894
Energy: 1.0346876194908912
Energy: 1.4471936684568725
Energy: 1.137485941772859
Energy: 1.1221473890772025
Energy: 1.1374859417740786
Energy: 0.8926708943564079
Energy: 1.1052439491568071
Energy: 1.2633200356482541
Energy: 1.1052439491531494
Energy: 0.8923816815314065
Energy: 0.8922246938045031
Energy: 1.780603044775225
Energy: 0.8922246938118189
Energy: 1.0775351242811697
Energy: 1.0400835491390772
Energy: 1.3158594511865989
Energy: 1.0400835491268843
Energy: 0.9036129067316706
Energy: 1.139414307687448
Energy: 1.3536974593399582
Energy: 1.1394143076886671
Energy: 0.9062698417170585
Energy: 0.8882778418580264
Energy: 1.4201050469383043
Energy: 0.888277841860465
Energy: 0.9605040970367298
Energy: 0.8882704461951549
Energy: 1.4232406824893513
Energy: 0.8882704461975935
Energy: 0.9036408852999169
Energy: 1.1392025219072766
Energy: 1.3560479301240558
Energy: 1.1392025219072766
Energy: 1.0816694713335022
Energy: 1.1049957781314523
Energy: 1.292329981088813
Energy: 1.1049957781314523
Energy: 0.8917335428846762
Energy: 0.8924071536915413
Energy: 1.810625511830758
Energy: 0.8924071536915413
Energy: 0.8928321907257575
Energy: 1.0394575728075526
Energy: 1.0949382683986337
Energy: 1.0394575728063333
Energy: 1.4461907742962217
Energy: 1.137172775955841
Energy: 1.1137449524807181
Energy: 1.1371727759570602
Energy: 1.09340734973025
Energy: 1.0281273513998919
Energy: 1.2627171701363014
Energy: 1.0281273513925762
Energy: 1.1165125260357018
Energy: 0.88814874922251
Energy: 1.0900445271603116
Energy: 0.8881487492261679
Energy: 1.258727971530943
Energy: 1.1401504297101481
Energy: 0.888816361146724
Energy: 1.1401504297064904
Energy: 1.4229898032232595
Energy: 0.8897008057446684
Energy: 0.8888911673699122
Energy: 0.8897008057495455
Energy: 1.354123673375839
Energy: 0.8942924304073997
Energy: 1.2818570081663203
Energy: 0.8942924304061804
Energy: 1.2839649828547683
Energy: 0.895725430074957
Energy: 0.8984673856034019
Energy: 0.8957254300810534
Energy: 1.5876750506014852
Energy: 0.9043164426564749
Energy: 0.9234334746633515
Energy: 0.9043164426589135
Energy: 1.4262624328043538
Energy: 0.8935475859637865
Energy: 1.0408650441478473
Energy: 0.8935475859637865
Energy: 1.38785447026003
Energy: 1.15136503227718
Energy: 0.9046310916044907
Energy: 1.151365032273522
Energy: 1.4260103752033049
Energy: 0.893493038633615
Energy: 0.9368060473883464
Energy: 0.8934930386360533
Energy: 1.4248958312347548
Energy: 0.8915640469829565
Energy: 0.8978475957693655
Energy: 0.8915640469817372
Energy: 1.3126966749513467
Energy: 0.895170441991803
Energy: 0.9766194971647011
Energy: 0.895170441991803

minimum gb energy = 0.8880874746085955 eV
minimum distance =  2.3169482556872 Angstroms
sigma value = 1


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

Energy: 1.6737421267289998
Energy: 1.035841726197737
Energy: 2.2696978254031155
Energy: 1.0358417261963468
Energy: 1.4293478461223814
Energy: 1.194856731158724
Energy: 1.0892547086121582
Energy: 1.194856731158724
Energy: 1.4338282030125018
Energy: 0.9455772518776425
Energy: 0.9486528432197721
Energy: 0.9455772518762523
Energy: 1.0671009443995223
Energy: 1.0115440802616877
Energy: 1.0888800564235086
Energy: 1.0115440802630782
Energy: 1.0662585750824793
Energy: 1.0838505343925824
Energy: 1.3801297289749666
Energy: 1.0838505343939726
Energy: 1.4262194492225158
Energy: 0.9376808971827735
Energy: 1.0545278851959452
Energy: 0.9376808971813831
Energy: 1.127382947648494
Energy: 1.0670947394923598
Energy: 1.0636992057851253
Energy: 1.0670947394909698
Energy: 1.0685651316682492
Energy: 0.9387607776323356
Energy: 1.3755667576398267
Energy: 0.9387607776323356
Energy: 1.0779854866686802
Energy: 1.0667320104036733
Energy: 1.4336280986520529
Energy: 1.0667320104036733
Energy: 1.1304971551737941
Energy: 1.0664618275222641
Energy: 1.073556977138855
Energy: 1.0664618275236546
Energy: 0.9694450665386971
Energy: 1.0836362396471118
Energy: 1.4338198964544553
Energy: 1.0836362396471118
Energy: 1.0160303899610483
Energy: 0.9227341281030487
Energy: 1.7171625837911475
Energy: 0.9227341280988781
Energy: 1.1233685478728697
Energy: 1.0669759639348284
Energy: 1.3981163446025064
Energy: 1.0669759639348284
Energy: 1.12336854787704
Energy: 1.0670157053062639
Energy: 1.3979294362786825
Energy: 1.0670157053062639
Energy: 0.9342461705477582
Energy: 0.923280605483008
Energy: 1.7169764134358485
Energy: 0.9232806054843983
Energy: 1.043884306902053
Energy: 1.010112903365067
Energy: 1.434053351281567
Energy: 1.0101129033608964
Energy: 1.130497155157112
Energy: 1.0715192851744462
Energy: 1.0738352594715157
Energy: 1.071519285171666
Energy: 1.1508131368366004
Energy: 0.9246870021008226
Energy: 1.4335183790670734
Energy: 0.9246870021008226
Energy: 1.0681086750730096
Energy: 0.9387928437038131
Energy: 1.3755667575675676
Energy: 0.9387928437149347
Energy: 1.0517894780702632
Energy: 0.9944312303446559
Energy: 1.0658566292501352
Energy: 0.9944312303460461
Energy: 1.4264018236820972
Energy: 0.9379751746689889
Energy: 1.052454053544544
Energy: 0.9379751746689889
Energy: 1.0667571131443379
Energy: 1.0117297303756771
Energy: 1.380129728972186
Energy: 1.0117297303756771
Energy: 1.0602263610899985
Energy: 1.0841093822519174
Energy: 1.0888800564207282
Energy: 1.0841093822505274
Energy: 1.433455695754524
Energy: 0.9448013265901366
Energy: 0.9494745966199482
Energy: 0.9448013265901366
Energy: 1.4298277138217257
Energy: 1.0221853177730365
Energy: 1.0892547086107682
Energy: 1.0221853177716462
Energy: 1.6737421267289998
Energy: 1.035841726197737
Energy: 2.2696978254045055
Energy: 1.0358417261949566
Energy: 1.4293478461209912
Energy: 1.194856731158724
Energy: 1.0892547086121582
Energy: 1.194856731157334
Energy: 1.4338282030111111
Energy: 0.945577251880423
Energy: 0.9486528432197721
Energy: 0.9455772518776425
Energy: 1.0671009443995223
Energy: 1.0115440802644682
Energy: 1.0888800564221182
Energy: 1.0115440802644682

minimum gb energy = 0.9227341280988781 eV
minimum distance =  2.30386319770751 Angstroms
sigma value = 25


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

Energy: 1.3281324873936693
Energy: 1.0972946977009275
Energy: 2.2748888819996225
Energy: 1.0972946977009275
Energy: 1.435464752472299
Energy: 0.9839184967884991
Energy: 1.1871900904942434
Energy: 0.9839184967884991
Energy: 1.4268867663642721
Energy: 0.9970511738003641
Energy: 1.0246873055531451
Energy: 0.9970511738035963
Energy: 1.2818515045575243
Energy: 0.9820481329461109
Energy: 1.1051718464983078
Energy: 0.9820481329461109
Energy: 1.2510130555202998
Energy: 0.9818646142488046
Energy: 1.2845664283853087
Energy: 0.9818646142488046
Energy: 1.4258996172950493
Energy: 0.9833669616235122
Energy: 0.9827424529319075
Energy: 0.9833669616251283
Energy: 0.9958470405482124
Energy: 0.9819722387900253
Energy: 0.9827725089235227
Energy: 0.9819722387900253
Energy: 0.9978773563014255
Energy: 0.9954575842490907
Energy: 1.452391293095763
Energy: 0.9954575842490907
Energy: 1.0838506944258801
Energy: 1.2080727443770125
Energy: 1.2535318957769486
Energy: 1.2080727443770125
Energy: 1.0721753112058554
Energy: 0.9906797342545928
Energy: 1.3151021800297562
Energy: 0.9906797342529766
Energy: 1.071756382547998
Energy: 1.065370152457086
Energy: 1.43368601059756
Energy: 1.0653701524603183
Energy: 1.089298309978255
Energy: 0.9954955271950248
Energy: 1.425659862174867
Energy: 0.9954955271950248
Energy: 1.0720127952671057
Energy: 0.9903187539358114
Energy: 1.2989290538115041
Energy: 0.9903187539358114
Energy: 1.1271641531704437
Energy: 0.9821387878390407
Energy: 1.2519676273140266
Energy: 0.9821387878390407
Energy: 0.9948995297842602
Energy: 0.9957395404785467
Energy: 1.6826806927740392
Energy: 0.9957395404769306
Energy: 0.9952025237884164
Energy: 0.9827037559455211
Energy: 0.9828520666858972
Energy: 0.9827037559439051
Energy: 1.6954674181901288
Energy: 0.9835087507265717
Energy: 0.9825762071829229
Energy: 0.9835087507249557
Energy: 1.2513563929942222
Energy: 0.9830774877369669
Energy: 1.2850574180414711
Energy: 0.9830774877353508
Energy: 1.1435194174303287
Energy: 0.9822041595353448
Energy: 1.1052233054184866
Energy: 0.9822041595385769
Energy: 1.2706302297217236
Energy: 0.9829651451614035
Energy: 1.00226071290736
Energy: 0.9829651451597874
Energy: 1.4350705540554938
Energy: 0.9834726756959753
Energy: 1.0508088736451335
Energy: 0.9834726756959753
Energy: 1.3295350260054453
Energy: 0.9908486065760602
Energy: 1.027138744013771
Energy: 0.9908486065744442
Energy: 1.4351090334803178
Energy: 1.1270550303281968
Energy: 1.1870383445675667
Energy: 1.1270550303281968
Energy: 1.426252875067653
Energy: 1.0239552472245306
Energy: 1.0239574510944025
Energy: 1.0239552472229145
Energy: 1.2510690911081288
Energy: 0.9818938087042074
Energy: 1.0249904871603817
Energy: 0.9818938087058233

minimum gb energy = 0.9818646142488046 eV
minimum distance =  2.32004318046638 Angstroms
sigma value = 9


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

Energy: 1.0117763796541754
Energy: 1.0109095610129977
Energy: 2.359141867903345
Energy: 1.0109095610120338
Energy: 1.0096878481019205
Energy: 1.0265527938179482
Energy: 1.0270935876341403
Energy: 1.0265527938175756
Energy: 1.1336374840677519
Energy: 1.0633148938080739
Energy: 1.133732933252954
Energy: 1.0633148938074826
Energy: 1.0266037595763733
Energy: 1.027164000446068
Energy: 1.1397565009473256
Energy: 1.027164000446068
Energy: 1.0266753571220206
Energy: 1.0267740616783936
Energy: 1.1340783535527512
Energy: 1.026774061677035
Energy: 1.6764512624287975
Energy: 1.026668276838567
Energy: 1.0266107137527545
Energy: 1.0266682768389612
Energy: 1.139603770982246
Energy: 1.0274002464808334
Energy: 1.0266844840445215
Energy: 1.0274002464810303
Energy: 1.1344149517900874
Energy: 1.1336513767188492
Energy: 1.5187869992694936
Energy: 1.1336513767190466
Energy: 1.3022481188686563
Energy: 1.0265318072374923
Energy: 1.009382746307955
Energy: 1.026531807237098
Energy: 1.302467797265428
Energy: 1.0096099353505785
Energy: 1.0095011887491976
Energy: 1.0096099353505785
Energy: 1.1398341641728642
Energy: 1.124826820270697
Energy: 1.5203082309094351
Energy: 1.1248268202704998
Energy: 1.1345798730416434
Energy: 1.0093643670991381
Energy: 1.1335138909433096
Energy: 1.009364367098941
Energy: 1.3028518140147791
Energy: 1.0275475103192033
Energy: 1.027522356720987
Energy: 1.0275475103184364
Energy: 1.1336589303312288
Energy: 1.1034244323135491
Energy: 1.133556903122803
Energy: 1.1034244323139217
Energy: 1.0274779886310499
Energy: 1.0275437744371771
Energy: 1.3028518140110987
Energy: 1.0275437744369802
Energy: 1.133508400692929
Energy: 1.0093743841795757
Energy: 1.134530808027486
Energy: 1.0093743841793787
Energy: 1.5202625487474746
Energy: 1.124833700085173
Energy: 1.1398409075112286
Energy: 1.1248337000847788
Energy: 1.0094956134227624
Energy: 1.0098013372332293
Energy: 1.3024677972656251
Energy: 1.0098013372332293
Energy: 1.0093466100536472
Energy: 1.0265245558786806
Energy: 1.302248118870387
Energy: 1.026524555878286
Energy: 1.518754250136462
Energy: 1.1336337540000985
Energy: 1.1343498493793187
Energy: 1.1336337540000985
Energy: 1.0266602177996818
Energy: 1.027229060886204
Energy: 1.1396052007865185
Energy: 1.0272290608854373

minimum gb energy = 1.0093466100536472 eV
minimum distance =  2.29740014410834 Angstroms
sigma value = 25


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

Energy: 1.1100770398229156
Energy: 1.3545787594358891
Energy: 2.28249825045857
Energy: 1.3545787594330172
Energy: 1.48618777434585
Energy: 1.1933078196428808
Energy: 1.1463541389107517
Energy: 1.1933078196414446
Energy: 1.299652592495764
Energy: 1.1495690993741823
Energy: 1.1457852092501994
Energy: 1.1495690993722585
Energy: 1.1342344298451321
Energy: 1.11520424735221
Energy: 1.148163941232505
Energy: 1.1152042473514785
Energy: 1.2355497124316284
Energy: 1.1880769665450157
Energy: 1.4940773559646197
Energy: 1.1880769665450157
Energy: 1.5629707816219074
Energy: 1.0889544428394868
Energy: 1.0887722613988577
Energy: 1.0889544428392428
Energy: 1.1943200955693936
Energy: 1.11341923997491
Energy: 1.159752941537254
Energy: 1.113419239973962
Energy: 1.1956377363876252
Energy: 1.204316351667365
Energy: 1.516230847554387
Energy: 1.204316351665929
Energy: 1.193921137960752
Energy: 1.0888487552313302
Energy: 1.0883557093451925
Energy: 1.0888487552332269
Energy: 1.299701365464968
Energy: 1.0888818661704922
Energy: 1.0881937630724268
Energy: 1.0888818661697606
Energy: 1.1130617157123843
Energy: 1.1135839810889996
Energy: 1.4646075676484323
Energy: 1.113583981092332
Energy: 1.1132968890286503
Energy: 1.0882182660837878
Energy: 1.1486283770742214
Energy: 1.0882182660818915
Energy: 1.3693737908937564
Energy: 1.1486306273853955
Energy: 1.1490618494613676
Energy: 1.1486306273856122
Energy: 1.4909467179668219
Energy: 1.0882460264062832
Energy: 1.3236017300764105
Energy: 1.0882460264074756
Energy: 1.3056263594864526
Energy: 1.3168138223725372
Energy: 1.3269566998599538
Energy: 1.316813822371589
Energy: 1.486353838084703
Energy: 1.1154933089859271
Energy: 1.1485655167255953
Energy: 1.1154933089868755
Energy: 1.1135938807258212
Energy: 1.091510069127985
Energy: 1.1498224934728043
Energy: 1.0915100691284727

minimum gb energy = 1.0881937630724268 eV
minimum distance =  2.28799806999132 Angstroms
sigma value = 17


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

Energy: 1.4216669745568937
Energy: 1.3038668994699847
Energy: 2.2235209314871835
Energy: 1.3038668994699847
Energy: 1.3491243805498097
Energy: 1.1966505801613905
Energy: 1.1921978793218013
Energy: 1.196650580162741
Energy: 1.1438664488352883
Energy: 1.1324005497567173
Energy: 1.1537904203212586
Energy: 1.1324005497594176
Energy: 1.1190180215528565
Energy: 1.1183979475363905
Energy: 1.1630191765951112
Energy: 1.1183979475350403
Energy: 1.147838798956008
Energy: 1.2052657170139112
Energy: 1.386560804003712
Energy: 1.2052657170139112
Energy: 1.5610983606094597
Energy: 1.2850727178067696
Energy: 1.12864262385538
Energy: 1.2850727178067696
Energy: 1.3010457322941822
Energy: 1.1171622532995205
Energy: 1.385571533534816
Energy: 1.1171622533008707
Energy: 1.1777488454522769
Energy: 1.1174978763473502
Energy: 1.4358036847662596
Energy: 1.1174978763487005
Energy: 1.1971936258665936
Energy: 1.1272511011951927
Energy: 1.124879055963564
Energy: 1.1272511011924922
Energy: 1.4245824623275694
Energy: 1.2031356141859642
Energy: 1.12648704917882
Energy: 1.2031356141873144
Energy: 1.1226031745659482
Energy: 1.12115734000294
Energy: 1.4024541120671496
Energy: 1.1211573400056407
Energy: 1.120169291136332
Energy: 1.1260103087364175
Energy: 1.2605882598721427
Energy: 1.1260103087364175
Energy: 1.424549310255386
Energy: 1.178616752808655
Energy: 1.2141042970377751
Energy: 1.178616752804604
Energy: 1.119988628571016
Energy: 1.120946336456254
Energy: 1.2106266293290353
Energy: 1.1209463364576042
Energy: 1.1200871921425468
Energy: 1.2092308281963504
Energy: 1.4577876222442976
Energy: 1.209230828199051
Energy: 1.3739784943015712
Energy: 1.1254541658946189
Energy: 1.1241944943190116
Energy: 1.1254541658973196
Energy: 1.1766240870654978
Energy: 1.2794469330842397
Energy: 1.125139113913028
Energy: 1.2794469330869402
Energy: 1.1664025081165101
Energy: 1.1850910625304758
Energy: 1.3711917886714544
Energy: 1.185091062531826
Energy: 1.3010565749629668
Energy: 1.2818828662565858
Energy: 1.2501399301698015
Energy: 1.2818828662552355
Energy: 1.5212137226540843
Energy: 1.203946164725771
Energy: 1.3707607208368215
Energy: 1.203946164725771
Energy: 1.1278679179515163
Energy: 1.1435352321933956
Energy: 1.3923383397787468
Energy: 1.1435352321947458
Energy: 1.1297009999006582
Energy: 1.1258292741534555
Energy: 1.1442337339371769
Energy: 1.125829274154806
Energy: 1.3742398303567616
Energy: 1.1446876878518328
Energy: 1.1439070766744832
Energy: 1.144687687853183
Energy: 1.3761228697824974
Energy: 1.2282889140076965
Energy: 1.3972531881621861
Energy: 1.2282889140049957
Energy: 1.3926957367857806
Energy: 1.229287356104845
Energy: 1.3944000339602047
Energy: 1.229287356100794
Energy: 1.3778826501953094
Energy: 1.1445743537997124
Energy: 1.1447686887259563
Energy: 1.1445743537983621
Energy: 1.1295214031678071
Energy: 1.1256025086721537
Energy: 1.1309913568472407
Energy: 1.1256025086721537
Energy: 1.128291082265843
Energy: 1.1281460055011459
Energy: 1.378643626637551
Energy: 1.1281460054970949
Energy: 1.1430057764126467
Energy: 1.2093163883696074
Energy: 1.3740543157581344
Energy: 1.2093163883736582
Energy: 1.2839385783935688
Energy: 1.2852292323202672
Energy: 1.1263026934650657
Energy: 1.285229232324318

minimum gb energy = 1.1171622532995205 eV
minimum distance =  2.26269634931364 Angstroms
sigma value = 53


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

Energy: 1.033472178476785
Energy: 1.0485896335078229
Energy: 2.3159975706578875
Energy: 1.0485896335078229
Energy: 1.034443019643925
Energy: 1.0765790271140259
Energy: 1.034023109854579
Energy: 1.0765790271140259
Energy: 1.5318819052513895
Energy: 1.1384002733102134
Energy: 1.114653605480673
Energy: 1.1384002733105314
Energy: 1.1146475928565724
Energy: 1.1384374875179992
Energy: 1.5345733453774475
Energy: 1.1384374875170453
Energy: 1.0342399448968285
Energy: 1.0768168044525195
Energy: 1.0342299196713363
Energy: 1.0768168044525195
Energy: 2.3159975706510347
Energy: 1.0485896335075051
Energy: 1.0334721784761849
Energy: 1.0485896335071871
Energy: 1.034023109854579
Energy: 1.0765790271137077
Energy: 1.034443019644243
Energy: 1.0765790271140259
Energy: 1.114653605481309
Energy: 1.1384002733098955
Energy: 1.5318819052529438
Energy: 1.1384002733102134
Energy: 1.5345733453780837
Energy: 1.1384374875179992
Energy: 1.1146475928568902
Energy: 1.1384374875176813
Energy: 1.0342299196713363
Energy: 1.0768168044528377
Energy: 1.0342399448971464
Energy: 1.0768168044522017
Energy: 1.0334721784771033
Energy: 1.0485896335078229
Energy: 2.315997570656934
Energy: 1.048589633508141
Energy: 1.034443019643925
Energy: 1.0765790271146265
Energy: 1.034023109854579
Energy: 1.0765790271146265
Energy: 1.5318819052517074
Energy: 1.1384002733102134
Energy: 1.114653605481309
Energy: 1.1384002733102134

minimum gb energy = 1.0334721784761849 eV
minimum distance =  2.26874472114453 Angstroms
sigma value = 9


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

Energy: 1.2726566302137248
Energy: 1.2833719576489577
Energy: 2.188094795294177
Energy: 1.2833719576466567
Energy: 1.474113098845569
Energy: 1.2481045044097725
Energy: 1.2310650590850076
Energy: 1.2481045044109231
Energy: 1.1976487659719732
Energy: 1.1608409352514946
Energy: 1.1596280734527782
Energy: 1.1608409352514946
Energy: 1.20156200278142
Energy: 1.231102366142905
Energy: 1.2315601165729548
Energy: 1.231102366142905
Energy: 1.2966494761363834
Energy: 1.1553000868078669
Energy: 1.4768345342312301
Energy: 1.155300086812469
Energy: 1.520980911241326
Energy: 1.2337024354693202
Energy: 1.2583889742815109
Energy: 1.2337024354647181
Energy: 1.2153887029875736
Energy: 1.2484240812487994
Energy: 1.536389006455756
Energy: 1.2484240812476488
Energy: 1.155357423840349
Energy: 1.2121718744047858
Energy: 1.23763522233974
Energy: 1.2121718744024848
Energy: 1.2151417580983963
Energy: 1.2169356651952303
Energy: 1.2159960296507093
Energy: 1.2169356651929293
Energy: 1.2556084879436504
Energy: 1.159490467659826
Energy: 1.2943709373658552
Energy: 1.1594904676609765
Energy: 1.1726949188864564
Energy: 1.2309527442244959
Energy: 1.5670064686671488
Energy: 1.230952744229098
Energy: 1.5855471144155489
Energy: 1.2779152440215031
Energy: 1.2066553482202398
Energy: 1.277915244019202
Energy: 1.232118619618039
Energy: 1.168389101822998
Energy: 1.17021393170062
Energy: 1.1683891018241483
Energy: 1.2454259907412917
Energy: 1.2624576825226017
Energy: 1.303996457722487
Energy: 1.2624576825226017
Energy: 1.2777119870054103
Energy: 1.2574565900743384
Energy: 1.207234288585623
Energy: 1.2574565900708867
Energy: 1.550591698280265
Energy: 1.16852385696639
Energy: 1.1728631997696184
Energy: 1.1685238569652396
Energy: 1.2593485074123336
Energy: 1.2363690261355247
Energy: 1.6153935421356231
Energy: 1.2363690261366753
Energy: 1.1754132574630867
Energy: 1.227315267411433
Energy: 1.2914917617053554
Energy: 1.2273152674102825
Energy: 1.514435499151775
Energy: 1.250411549774162
Energy: 1.2143038302481686
Energy: 1.2504115497718606
Energy: 1.201769424901123
Energy: 1.249484571610538
Energy: 1.211831609632301
Energy: 1.2494845716151401
Energy: 1.1570131923358036
Energy: 1.209465566003901
Energy: 1.49826876161331
Energy: 1.2094655660062021
Energy: 1.4060745085993898
Energy: 1.2606174642168038
Energy: 1.2557098076568087
Energy: 1.2606174642133523
Energy: 1.3492437925536283
Energy: 1.2316132477168098
Energy: 1.2568717367739355
Energy: 1.2316132477191108
Energy: 1.2539173357916875
Energy: 1.195515221724929
Energy: 1.5007151759361428
Energy: 1.195515221729531
Energy: 1.2111086349100664
Energy: 1.247349275080645
Energy: 1.1835916237680522
Energy: 1.2473492750771935
Energy: 1.350903463034107
Energy: 1.2250116352474798
Energy: 1.185826873894675
Energy: 1.2250116352497809
Energy: 1.3741829814382331
Energy: 1.2451925038130691
Energy: 1.3133680338488571
Energy: 1.2451925038176712
Energy: 1.2712146197472225
Energy: 1.2456741877061697
Energy: 1.427789962081728
Energy: 1.2456741877096213
Energy: 1.5019819439753594
Energy: 1.2260913871205954
Energy: 1.1982402913706853
Energy: 1.2260913871217458
Energy: 1.206620772875051
Energy: 1.2892959531232302
Energy: 1.183856255193471
Energy: 1.2892959531278323
Energy: 1.1963956773295448
Energy: 1.2317969693901065
Energy: 1.49865816850529
Energy: 1.2317969693889559
Energy: 1.3500095326726411
Energy: 1.2456206550748876
Energy: 1.2592609634020606
Energy: 1.2456206550748876
Energy: 1.5454749386184008
Energy: 1.2428699078741348
Energy: 1.2625874913587256
Energy: 1.242869907870683
Energy: 1.2039179273780298
Energy: 1.2091528174267974
Energy: 1.4887504631256574
Energy: 1.2091528174279478
Energy: 1.200406954118
Energy: 1.2501982833048473
Energy: 1.2118342260691772
Energy: 1.250198283305998

minimum gb energy = 1.1553000868078669 eV
minimum distance =  2.24392984548428 Angstroms
sigma value = 73


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

Energy: 1.3853058871720347
Energy: 1.268844454652826
Energy: 2.2293735010817866
Energy: 1.2688444546520998
Energy: 1.3445145713663902
Energy: 1.2596195661679588
Energy: 1.2706366700040885
Energy: 1.2596195661657599
Energy: 1.2306274335885115
Energy: 1.2158873388426097
Energy: 1.1739410479513
Energy: 1.2158873388424436
Energy: 1.2019763267333607
Energy: 1.1807039554707668
Energy: 1.2701943423402757
Energy: 1.1807039554702277
Energy: 1.3559857833252327
Energy: 1.1803044591706953
Energy: 1.313781165204646
Energy: 1.1803044591692227
Energy: 1.6491275889364765
Energy: 1.2607645350746999
Energy: 1.184502693836012
Energy: 1.2607645350746999
Energy: 1.2346471720841095
Energy: 1.2456045418941664
Energy: 1.4210848525624045
Energy: 1.2456045418941664
Energy: 1.182297767001408
Energy: 1.180473526018031
Energy: 1.2601215279624105
Energy: 1.180473526019317
Energy: 1.4069436696692246
Energy: 1.215913406352857
Energy: 1.3182650854259619
Energy: 1.2159134063532304
Energy: 1.2241635896234255
Energy: 1.2156744241235482
Energy: 1.3058566276726677
Energy: 1.2156744241222621
Energy: 1.180449373420654
Energy: 1.1803264497361128
Energy: 1.557408162607926
Energy: 1.1803264497377515
Energy: 1.4872473535286053
Energy: 1.2657161938590986
Energy: 1.3142154232566807
Energy: 1.265716193860011
Energy: 1.3542412873712695
Energy: 1.2589055941551321
Energy: 1.181824230583629
Energy: 1.258905594156045
Energy: 1.230574924843619
Energy: 1.3157978321238089
Energy: 1.5702979017608034
Energy: 1.315797832124348
Energy: 1.1993553642136547
Energy: 1.1802519892530592
Energy: 1.2477483521604176
Energy: 1.1802519892525198
Energy: 1.3215620163489459
Energy: 1.2164995071284872
Energy: 1.209781476155959
Energy: 1.2164995071303124
Energy: 1.3100849251407427
Energy: 1.270449352798207
Energy: 1.5758278118706337
Energy: 1.270449352798207
Energy: 1.310475007339576
Energy: 1.270223364943807
Energy: 1.5096741473605668
Energy: 1.270223364945072
Energy: 1.6134391614344339
Energy: 1.2167906170885785
Energy: 1.2709121268532944
Energy: 1.216790617087479
Energy: 1.1991500583255656
Energy: 1.2667485104426017
Energy: 1.1738597861518814
Energy: 1.2667485104449665
Energy: 1.230492831696672
Energy: 1.2837532567121703
Energy: 1.5718301047456613
Energy: 1.2837532567125438
Energy: 1.3547157278164106
Energy: 1.2658935661351174
Energy: 1.1818277625821805
Energy: 1.2658935661351174

minimum gb energy = 1.1738597861518814 eV
minimum distance =  2.23951109472409 Angstroms
sigma value = 7


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

Energy: 1.6814155686781989
Energy: 1.4240417999890058
Energy: 2.2102083978087936
Energy: 1.4240417999902966
Energy: 1.5109251330745976
Energy: 1.279611814843498
Energy: 1.2817724957356587
Energy: 1.2796118148396256
Energy: 1.2688405052726417
Energy: 1.2630868127421682
Energy: 1.2584356523898748
Energy: 1.2630868127460404
Energy: 1.2235012008284458
Energy: 1.1830575645730368
Energy: 1.2737930956436778
Energy: 1.183057564575618
Energy: 1.323717607661362
Energy: 1.2099932128508561
Energy: 1.2411628216271893
Energy: 1.2099932128547284
Energy: 1.56384562773815
Energy: 1.2479363636755645
Energy: 1.2397307503711898
Energy: 1.2479363636729828
Energy: 1.305801658221664
Energy: 1.294528674441162
Energy: 1.6158747707744432
Energy: 1.2945286744450344
Energy: 1.2399410050474253
Energy: 1.2480008244304512
Energy: 1.3092437229330467
Energy: 1.2480008244291605
Energy: 1.5430893764841604
Energy: 1.2356887736759905
Energy: 1.2402475090235126
Energy: 1.2356887736759905
Energy: 1.2641467865777118
Energy: 1.1841898423808495
Energy: 1.2225630130451597
Energy: 1.1841898423795587
Energy: 1.2742861649139676
Energy: 1.2642446386337987
Energy: 1.431044620170001
Energy: 1.2642446386363804
Energy: 1.5737730534116283
Energy: 1.2622480114773464
Energy: 1.3594158293967697
Energy: 1.2622480114760555
Energy: 1.568725911236555
Energy: 1.3025731787934756
Energy: 1.3595865493950396
Energy: 1.3025731787921848
Energy: 1.324340682699693
Energy: 1.3040927377084384
Energy: 1.5038740359330531
Energy: 1.3040927377110199
Energy: 1.2608492165536862
Energy: 1.257591079120041
Energy: 1.2226470476648912
Energy: 1.2575910791187506
Energy: 1.5695704636709729
Energy: 1.4010305524308044
Energy: 1.2810153321968527
Energy: 1.4010305524372584
Energy: 1.2401792472409492
Energy: 1.27148100174608
Energy: 1.3088957937145043
Energy: 1.2714810017409173
Energy: 1.2737282275647894
Energy: 1.2107766660003776
Energy: 1.566730839226377
Energy: 1.2107766660042498
Energy: 1.5686196277581301
Energy: 1.247555585068517
Energy: 1.2408732685268693
Energy: 1.2475555850659354
Energy: 1.3038704351128845
Energy: 1.2102984401910029
Energy: 1.241479547826874
Energy: 1.21029844018584
Energy: 1.269478105042077
Energy: 1.303659586186457
Energy: 1.3649822525010329
Energy: 1.3036595861838753
Energy: 1.2225674078893292
Energy: 1.2617194240776364
Energy: 1.2567313552784716
Energy: 1.2617194240815088
Energy: 1.5252686744694883
Energy: 1.2415672250504508
Energy: 1.274467658795521
Energy: 1.2415672250478693
Energy: 1.5045654480769912
Energy: 1.4225275278738194
Energy: 1.5361963462029633
Energy: 1.4225275278712377
Energy: 1.505160873687235
Energy: 1.2235845888944004
Energy: 1.2762121533826933
Energy: 1.2235845889047268
Energy: 1.3311249252261887
Energy: 1.2619291009878781
Energy: 1.2568284107884413
Energy: 1.261929100989169
Energy: 1.2219370222446353
Energy: 1.1830301732909108
Energy: 1.275019727331443
Energy: 1.1830301732896493
Energy: 1.3242588484959597
Energy: 1.211088861490363
Energy: 1.5041694117261886
Energy: 1.2110888614877815
Energy: 1.3021964738333316
Energy: 1.2478759810522464
Energy: 1.2628666982803716
Energy: 1.2478759810535371
Energy: 1.5626954620255133
Energy: 1.3374937411590595
Energy: 1.5623780451365814
Energy: 1.3374937411538963
Energy: 1.2630838172519714
Energy: 1.247666901857036
Energy: 1.331626887488338
Energy: 1.2476669018557454

minimum gb energy = 1.1830301732896493 eV
minimum distance =  2.23131947832898 Angstroms
sigma value = 29


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

Energy: 1.1238702465262604
Energy: 1.2766564781756549
Energy: 2.2109531918889442
Energy: 1.2766564781765293
Energy: 1.5046766518842374
Energy: 1.1989580568911138
Energy: 1.1767364226975008
Energy: 1.1989580568911138
Energy: 1.4928590941733586
Energy: 1.1535558604876688
Energy: 1.1555925843933594
Energy: 1.1535558604872445
Energy: 1.5464752154777126
Energy: 1.276826702147564
Energy: 1.1509393492665814
Energy: 1.2768267021471147
Energy: 1.5695144945943038
Energy: 1.2368765182966552
Energy: 1.1506369040708206
Energy: 1.2368765182966552
Energy: 1.3808394566889943
Energy: 1.154295496127116
Energy: 1.1542174453233855
Energy: 1.154295496127116
Energy: 1.2638299153929424
Energy: 1.2306474289074503
Energy: 1.4816370720422545
Energy: 1.230647428747064
Energy: 1.1201029503341462
Energy: 1.230569079836208
Energy: 1.8098773394855743
Energy: 1.2305690798375317
Energy: 1.5040619998162612
Energy: 1.1754126401426495
Energy: 1.2386161729085678
Energy: 1.1754126401457217

minimum gb energy = 1.1201029503341462 eV
minimum distance =  2.34845027811537 Angstroms
sigma value = 5


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

Energy: 1.3490479759886012
Energy: 1.3247937212156877
Energy: 1.9658721459461008
Energy: 1.3247937212193455
Energy: 1.5335710164713479
Energy: 1.2044845513947444
Energy: 1.3200544416827957
Energy: 1.204484551393525
Energy: 1.2238287820850002
Energy: 1.2637380891328014
Energy: 1.2229701460603213
Energy: 1.2637380891328014
Energy: 1.2238476124858246
Energy: 1.2323289606946248
Energy: 1.3610520476478063
Energy: 1.2323289606934054
Energy: 1.1726796995209012
Energy: 1.2417013564363215
Energy: 1.1993282851183913
Energy: 1.2417013564338828
Energy: 1.2617285018803592
Energy: 1.257135975342784
Energy: 1.2030854698169753
Energy: 1.2571359753464417
Energy: 1.3005912152347605
Energy: 1.2378436598651272
Energy: 1.3745939831783893
Energy: 1.2378436598663465
Energy: 1.3027506190636218
Energy: 1.252849560340975
Energy: 1.4213261612894728
Energy: 1.252849560340975
Energy: 1.4721341063557896
Energy: 1.2069060430860172
Energy: 1.3082700129578555
Energy: 1.206906043084798
Energy: 1.4757787884129598
Energy: 1.2082028398699747
Energy: 1.3100389926043232
Energy: 1.2082028398687552
Energy: 1.2225388748771653
Energy: 1.2526209076727441
Energy: 1.2445037773986822
Energy: 1.2526209076666477
Energy: 1.2226017055531453
Energy: 1.2674375968465978
Energy: 1.1923851160188295
Energy: 1.267437596847817
Energy: 1.3688730797295063
Energy: 1.2758273657361334
Energy: 1.1939892120615316
Energy: 1.2758273657410106
Energy: 1.1968329585547668
Energy: 1.2429438984003216
Energy: 1.1941416402449871
Energy: 1.242943898397883
Energy: 1.2595918056270263
Energy: 1.3230803579447106
Energy: 1.4336442628803994
Energy: 1.323080357943491
Energy: 1.4773507935192478
Energy: 1.3058138398522354
Energy: 1.303314213868474
Energy: 1.305813839846139
Energy: 1.460136739357097
Energy: 1.237952662433341
Energy: 1.4468179069163623
Energy: 1.2379526624357797
Energy: 1.2244882549821443
Energy: 1.2616907420457268
Energy: 1.4240317889991099
Energy: 1.261690742054262
Energy: 1.329765621590385
Energy: 1.2144129055224537
Energy: 1.2588919196854294
Energy: 1.2144129055187958
Energy: 1.2137314269156114
Energy: 1.26080091558074
Energy: 1.2027466652553813
Energy: 1.2608009155831785
Energy: 1.2246685256363807
Energy: 1.2335993730447912
Energy: 1.232307803927526
Energy: 1.2335993730411334
Energy: 1.3527292757222318
Energy: 1.2409819994262035
Energy: 1.2188405201560817
Energy: 1.2409819994286417
Energy: 1.224123130429641
Energy: 1.2647771893840525
Energy: 1.2183401458479968
Energy: 1.2647771893889295
Energy: 1.4236781288066165
Energy: 1.2131584157016164
Energy: 1.5941631174728883
Energy: 1.2131584157040551
Energy: 1.419384614634679
Energy: 1.2130241541211115
Energy: 1.5749328897835888
Energy: 1.2130241541186728
Energy: 1.3681529577431926
Energy: 1.2414977890183228
Energy: 1.215276825736375
Energy: 1.2414977890183228
Energy: 1.2852900783509162
Energy: 1.2429869676819214
Energy: 1.218208922495322
Energy: 1.242986967685579
Energy: 1.2402607136555326
Energy: 1.2383793777452132
Energy: 1.4377624923787837
Energy: 1.2383793777391168
Energy: 1.2144278766113152
Energy: 1.2642366767407287
Energy: 1.2004836790187623
Energy: 1.2642366767431674
Energy: 1.4390263590633072
Energy: 1.331079956885724
Energy: 1.2834145099571301
Energy: 1.3310799568820662
Energy: 1.257995062502659
Energy: 1.2603878038066223
Energy: 1.3315460904419134
Energy: 1.260387803805403
Energy: 1.3251558106171792
Energy: 1.191674450078451
Energy: 1.5340278927759838
Energy: 1.19167445007967
Energy: 1.6391028952186149
Energy: 1.2894869802611277
Energy: 1.3078705338970118
Energy: 1.2894869802611277

minimum gb energy = 1.1726796995209012 eV
minimum distance =  2.23712889424571 Angstroms
sigma value = 1


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

Energy: 1.2077692830247604
Energy: 1.1930200527761654
Energy: 1.9695317887817245
Energy: 1.1930200527778512
Energy: 1.1716039361946888
Energy: 1.214926407961999
Energy: 1.2073594713459666
Energy: 1.2149264079636848
Energy: 1.3006373599916243
Energy: 1.2049612665945812
Energy: 1.2317255189964893
Energy: 1.2049612665945812
Energy: 1.1956616378113747
Energy: 1.2039157119010624
Energy: 1.207473760375305
Energy: 1.2039157118993764
Energy: 1.1449651246328223
Energy: 1.1925546239708273
Energy: 1.1460046477988528
Energy: 1.1925546239708273
Energy: 1.1465397317737318
Energy: 1.1461051197201908
Energy: 1.1459700001394124
Energy: 1.1461051197201908
Energy: 1.2081812602870325
Energy: 1.2045564991034658
Energy: 1.3002047518270203
Energy: 1.2045564991017799
Energy: 1.2079580318552168
Energy: 1.2028343680175888
Energy: 1.3007137736644567
Energy: 1.202834368015903
Energy: 1.562884159936302
Energy: 1.192020743348441
Energy: 1.1960078819694078
Energy: 1.192020743348441
Energy: 1.5628841599346162
Energy: 1.1925406813382449
Energy: 1.195960032196534
Energy: 1.1925406813382449
Energy: 1.207949332756079
Energy: 1.2027705060895453
Energy: 1.3007137736644567
Energy: 1.2027705060895453
Energy: 1.208217706250743
Energy: 1.2045739932221309
Energy: 1.3002047518270203
Energy: 1.2045739932221309
Energy: 1.1459824327799424
Energy: 1.1461877772945153
Energy: 1.1459677210957324
Energy: 1.1461877772945153
Energy: 1.1449637013233287
Energy: 1.1925826952243177
Energy: 1.145937959306414
Energy: 1.1925826952243177
Energy: 1.195984060491451
Energy: 1.2038685932191193
Energy: 1.207333782664831
Energy: 1.203868593220805
Energy: 1.3006373599916243
Energy: 1.2049585081410283
Energy: 1.2317826319354008
Energy: 1.2049585081393421
Energy: 1.1715164105063818
Energy: 1.2150037545609813
Energy: 1.2074060792983963
Energy: 1.2150037545609813
Energy: 1.2077692830247604
Energy: 1.1930200527778512
Energy: 1.9695317887817245
Energy: 1.1930200527761654
Energy: 1.1716039361946888
Energy: 1.2149264079636848
Energy: 1.2073594713459666
Energy: 1.2149264079636848
Energy: 1.3006373599916243
Energy: 1.2049612665945812
Energy: 1.2317255189830023
Energy: 1.2049612665945812
Energy: 1.1956616378113747
Energy: 1.2039157118993764
Energy: 1.207473760375305
Energy: 1.2039157118993764
Energy: 1.144965124634508
Energy: 1.1925546239708273
Energy: 1.1460046477988528
Energy: 1.192554623972513
Energy: 1.1465397317737318
Energy: 1.1461051197201908
Energy: 1.1459700001394124
Energy: 1.146105119718505
Energy: 1.2081812602870325
Energy: 1.2045564991017799
Energy: 1.3002047518270203
Energy: 1.2045564991034658

minimum gb energy = 1.1449637013233287 eV
minimum distance =  2.23956892316223 Angstroms
sigma value = 17


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

Energy: 1.3854208227018052
Energy: 1.2129633130252682
Energy: 1.8788294256775706
Energy: 1.212963313028394
Energy: 1.45057929921074
Energy: 1.2618325368662244
Energy: 1.3735139269152667
Energy: 1.2618325368683085
Energy: 1.1859925715591961
Energy: 1.2086499502919097
Energy: 1.2152846436268159
Energy: 1.2086499502887837
Energy: 1.2253486014681894
Energy: 1.1868274308086368
Energy: 1.3595371888140104
Energy: 1.1868274308065527
Energy: 1.2001458211599192
Energy: 1.2017668634335557
Energy: 1.1981382775985654
Energy: 1.2017668634335557
Energy: 1.2110148851883198
Energy: 1.204681292407087
Energy: 1.1945034628014342
Energy: 1.2046812924029189
Energy: 1.2028480757589648
Energy: 1.2051594014133422
Energy: 1.1659294783482257
Energy: 1.2051594014133422
Energy: 1.2028794961249658
Energy: 1.205098021876293
Energy: 1.199131886522469
Energy: 1.205098021871083
Energy: 1.4367948657886271
Energy: 1.1928637793521075
Energy: 1.350304092464488
Energy: 1.1928637793552337
Energy: 1.4850353092905666
Energy: 1.192331677329292
Energy: 1.3473401578660869
Energy: 1.192331677324082
Energy: 1.2489050399161536
Energy: 1.1878342336188987
Energy: 1.4567721414845103
Energy: 1.1878342336178567
Energy: 1.2470595964985338
Energy: 1.1877969827496349
Energy: 1.3743046047944372
Energy: 1.1877969827517187
Energy: 1.2126867548095772
Energy: 1.2089031338760132
Energy: 1.20458756386396
Energy: 1.2089031338697611
Energy: 1.1751355986780951
Energy: 1.202101435339365
Energy: 1.2044527947960564
Energy: 1.202101435341449
Energy: 1.1813522419545042
Energy: 1.2196678028480643
Energy: 1.2082808097053062
Energy: 1.2196678028449384
Energy: 1.1844594681381366
Energy: 1.2033265246521372
Energy: 1.1834517689391004
Energy: 1.2033265246542213
Energy: 1.341109986805208
Energy: 1.1731259439647157
Energy: 1.241950243247016
Energy: 1.1731259439584638
Energy: 1.2433622514894633
Energy: 1.2122648819371564
Energy: 1.3636764486454844
Energy: 1.2122648819392405
Energy: 1.3460432844565327
Energy: 1.1784009345237376
Energy: 1.3519542949423689
Energy: 1.1784009345237376
Energy: 1.5811999987729206
Energy: 1.1940864186863152
Energy: 1.2548573088282942
Energy: 1.1940864186863152
Energy: 1.2916190628799606
Energy: 1.278170961772205
Energy: 1.4404587960306163
Energy: 1.278170961768037
Energy: 1.1965520701962251
Energy: 1.2008817360969544
Energy: 1.1656652902842954
Energy: 1.200881736095912
Energy: 1.3374916849315583
Energy: 1.206359466721786
Energy: 1.2452281149642928
Energy: 1.2063594667238702
Energy: 1.1892781972252897
Energy: 1.204066091146693
Energy: 1.1618550945045112
Energy: 1.2040660911414829
Energy: 1.2070622890468328
Energy: 1.2240857601607242
Energy: 1.3934959388021104
Energy: 1.2240857601638502
Energy: 1.187274106552235
Energy: 1.2015246915259057
Energy: 1.207786545100656
Energy: 1.2015246915300735
Energy: 1.1902893423822771
Energy: 1.2024151307890516
Energy: 1.2426495097505554
Energy: 1.2024151307900934
Energy: 1.363201988589474
Energy: 1.170804999814217
Energy: 1.5647402348118968
Energy: 1.170804999813175
Energy: 1.354704129935404
Energy: 1.1708610634804169
Energy: 1.5634137605044598
Energy: 1.170861063482501
Energy: 1.1861614333678638
Energy: 1.201799316282698
Energy: 1.2078931862519866
Energy: 1.20179931628374
Energy: 1.1884137106027597
Energy: 1.2022234313335975
Energy: 1.2429160780096802
Energy: 1.2022234313367235
Energy: 1.186125164301895
Energy: 1.2178028202365747
Energy: 1.2078537365401623
Energy: 1.2178028202397007
Energy: 1.1946687948281505
Energy: 1.2042075899914135
Energy: 1.1616305177449608
Energy: 1.2042075899934974
Energy: 1.301998329088886
Energy: 1.2072769371998473
Energy: 1.1659237080479394
Energy: 1.2072769371977632
Energy: 1.203307690006479
Energy: 1.2010431694087418
Energy: 1.206341371288868
Energy: 1.2010431694076997
Energy: 1.3082613395478098
Energy: 1.1680398977798825
Energy: 1.363423313993839
Energy: 1.1680398977767565
Energy: 1.5986621425525303
Energy: 1.1932136242703553
Energy: 1.2547621988453432
Energy: 1.1932136242651452
Energy: 1.3617825838135242
Energy: 1.1796695734937228
Energy: 1.4369048395271191
Energy: 1.1796695734916387

minimum gb energy = 1.1616305177449608 eV
minimum distance =  2.23919996776067 Angstroms
sigma value = 89


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

Energy: 1.2742562319955193
Energy: 1.1368797665539945
Energy: 1.7971086058771022
Energy: 1.1368797665558845
Energy: 1.232522141865019
Energy: 1.322322545253293
Energy: 1.2559106569922347
Energy: 1.3223225452549041
Energy: 1.2335866130539344
Energy: 1.1271679050658956
Energy: 1.1421285556482779
Energy: 1.127167905063696
Energy: 1.1537424752822183
Energy: 1.1426580940898627
Energy: 1.301055170071833
Energy: 1.1426580940906683
Energy: 1.1559352977203092
Energy: 1.1425631780865926
Energy: 1.1249642456500193
Energy: 1.1425631780871193
Energy: 1.1471200970899136
Energy: 1.2724692914974913
Energy: 1.2078060458824145
Energy: 1.2724692914972127
Energy: 1.1468944144953264
Energy: 1.1275471085854458
Energy: 1.1249355109343009
Energy: 1.1275471085854458
Energy: 1.1487944513265984
Energy: 1.154766002992591
Energy: 1.2527420889946999
Energy: 1.154766002994202
Energy: 1.234344258082076
Energy: 1.1428890259007911
Energy: 1.1275549630300503
Energy: 1.1428890259007911
Energy: 1.1479843671504912
Energy: 1.1424415178725134
Energy: 1.1273183153464443
Energy: 1.1424415178738765
Energy: 1.2304451872579998
Energy: 1.1273848567279443
Energy: 1.264160067586672
Energy: 1.1273848567273868
Energy: 1.2304942230591698
Energy: 1.1277832128753806
Energy: 1.2641042039244539
Energy: 1.1277832128751017
Energy: 1.2344278082397153
Energy: 1.142986448163148
Energy: 1.1279357048196519
Energy: 1.1429864481634269
Energy: 1.2331503708703189
Energy: 1.1424155535783405
Energy: 1.1271221132979006
Energy: 1.1424155535778138
Energy: 1.1465785336529302
Energy: 1.1432224308369057
Energy: 1.181739022870318
Energy: 1.143222430836348

minimum gb energy = 1.1249355109343009 eV
minimum distance =  2.24017830364574 Angstroms
sigma value = 13


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

Energy: 1.1934426997018863
Energy: 1.0981923583684134
Energy: 1.7169564658050194
Energy: 1.0981923583672708
Energy: 1.1730949588807138
Energy: 1.2411174003516654
Energy: 1.1429505421949488
Energy: 1.2411174003516654
Energy: 1.1576330283729623
Energy: 1.069012156692723
Energy: 1.1506143221032965
Energy: 1.069012156693866
Energy: 1.1331880047010923
Energy: 1.1414461140231051
Energy: 1.1448767897326841
Energy: 1.1414461140231051
Energy: 1.0950324313704791
Energy: 1.0774857437878347
Energy: 1.1068774512223611
Energy: 1.0774857437878347
Energy: 1.201707183400955
Energy: 1.078002094544604
Energy: 1.1360072496762712
Energy: 1.078002094544604
Energy: 1.1038394668496592
Energy: 1.069089031936599
Energy: 1.1060383848867288
Energy: 1.069089031937742
Energy: 1.1101565866409957
Energy: 1.1001547308154158
Energy: 1.1046644525078115
Energy: 1.1001547308154158
Energy: 1.1017464313678802
Energy: 1.077233308895391
Energy: 1.0946191083127839
Energy: 1.0772333088965338
Energy: 1.2707312616808715
Energy: 1.0779952123250691
Energy: 1.1444427090482208
Energy: 1.0779952123239263
Energy: 1.1452158162612744
Energy: 1.0690814615153839
Energy: 1.1519437403767903
Energy: 1.0690814615142412
Energy: 1.129559299942196
Energy: 1.071370451966363
Energy: 1.1017499676843934
Energy: 1.0713704519675056
Energy: 1.1612076585169242
Energy: 1.091750301916915
Energy: 1.1745263189492134
Energy: 1.0917503019157724
Energy: 1.1797722646091682
Energy: 1.0950179118554173
Energy: 1.2672402044822233
Energy: 1.0950179118542747
Energy: 1.1451981861098826
Energy: 1.0680520494373802
Energy: 1.1510724118306004
Energy: 1.0680520494373802
Energy: 1.1296726597800297
Energy: 1.0683176315237544
Energy: 1.1569348660066439
Energy: 1.0683176315248972
Energy: 1.1616249581668006
Energy: 1.0772226940667164
Energy: 1.094762768825265
Energy: 1.0772226940655738
Energy: 1.1071284499635163
Energy: 1.077834272990123
Energy: 1.154621884618753
Energy: 1.077834272990123
Energy: 1.1038843685044897
Energy: 1.067657137978899
Energy: 1.1104721712244239
Energy: 1.067657137978899
Energy: 1.1101756426875888
Energy: 1.0676182165799268
Energy: 1.1038464761722149
Energy: 1.0676182165799268
Energy: 1.1546194425857572
Energy: 1.0778634722148743
Energy: 1.1080044907884974
Energy: 1.0778634722160172
Energy: 1.0945714567339482
Energy: 1.0772377146710308
Energy: 1.1616249581553733
Energy: 1.077237714669888
Energy: 1.156934866005501
Energy: 1.0685220676445288
Energy: 1.1296820348961565
Energy: 1.0685220676433862
Energy: 1.151072411831743
Energy: 1.0680328899194118
Energy: 1.1452008210464508
Energy: 1.0680328899182692
Energy: 1.2671147896951214
Energy: 1.094826400168126
Energy: 1.179749565776294
Energy: 1.0948264001692687
Energy: 1.1746991035710093
Energy: 1.091715448329929
Energy: 1.161207658518067
Energy: 1.091715448329929
Energy: 1.1012904935069208
Energy: 1.071206279309118
Energy: 1.1295938351570702
Energy: 1.071206279307975
Energy: 1.1519437403790758
Energy: 1.0688154472140188
Energy: 1.1452018033524554
Energy: 1.0688154472128761
Energy: 1.1444504718133781
Energy: 1.0779916086956924
Energy: 1.2708316239503605
Energy: 1.0779916086956924
Energy: 1.0945356490907252
Energy: 1.0772201907369652
Energy: 1.1018853309013883
Energy: 1.077220190738108
Energy: 1.1049984324376336
Energy: 1.1002808642790354
Energy: 1.1107658943476935
Energy: 1.1002808642801782
Energy: 1.1057177317656994
Energy: 1.069095726944288
Energy: 1.103834030388787
Energy: 1.0690957269454306
Energy: 1.1360682323974791
Energy: 1.077766184672165
Energy: 1.2016613755722316
Energy: 1.0777661846710223
Energy: 1.1068278927794948
Energy: 1.0774857681493268
Energy: 1.0948766992960497
Energy: 1.0774857681493268
Energy: 1.1448577113543117
Energy: 1.1414087201792076
Energy: 1.1329843002588218
Energy: 1.1414087201792076

minimum gb energy = 1.0676182165799268 eV
minimum distance =  2.25661761519466 Angstroms
sigma value = 37


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

Energy: 1.204471018491374
Energy: 1.044236001268746
Energy: 1.6313815273563173
Energy: 1.0442360012693268
Energy: 1.221230809242325
Energy: 1.283914221413059
Energy: 1.1461785479823208
Energy: 1.2839142214138632
Energy: 1.1300172479989001
Energy: 1.0021150946638517
Energy: 1.1341534781195164
Energy: 1.0021150946638517
Energy: 1.168086407071382
Energy: 1.0266533081931837
Energy: 1.1460419673566953
Energy: 1.0266533081929825
Energy: 1.0784604971441292
Energy: 1.0016559737525486
Energy: 1.1241824274162389
Energy: 1.0016559737525486
Energy: 1.1682177197131105
Energy: 1.0156005314118786
Energy: 1.0896949211067928
Energy: 1.0156005314120795
Energy: 1.0612124187827936
Energy: 1.0024621219270402
Energy: 1.065851235139645
Energy: 1.0024621219262584
Energy: 1.1111399305475356
Energy: 1.3635884788960715
Energy: 1.1272408301863455
Energy: 1.3635884788976356
Energy: 1.0594020508728017
Energy: 1.0009134900075545
Energy: 1.0839530545866565
Energy: 1.0009134900077556
Energy: 1.167725913005298
Energy: 1.0161237501339269
Energy: 1.0805848852449786
Energy: 1.0161237501343066
Energy: 1.0672570108216444
Energy: 1.0005145838107972
Energy: 1.123520151369874
Energy: 1.0005145838100151
Energy: 1.0673688099384502
Energy: 1.0162033803135175
Energy: 1.231627007840842
Energy: 1.0162033803135175
Energy: 1.130305632378779
Energy: 1.00062675367922
Energy: 1.1245152353825567
Energy: 1.0006267536780358
Energy: 1.0613643125268746
Energy: 1.000398893553368
Energy: 1.1234306740236504
Energy: 1.000398893552586
Energy: 1.16664693755251
Energy: 1.0420463758513305
Energy: 1.1229069959303555
Energy: 1.0420463758511296
Energy: 1.1450054822589342
Energy: 1.043273888756838
Energy: 1.11993143015844
Energy: 1.0432738887564583
Energy: 1.1301422170302524
Energy: 1.000389449407983
Energy: 1.1335143609575127
Energy: 1.0003894494077818
Energy: 1.1287187742395832
Energy: 1.000558099798858
Energy: 1.1233917899112822
Energy: 1.0005580997976737
Energy: 1.0672688455622017
Energy: 1.0002112210125407
Energy: 1.1237027586068218
Energy: 1.000211221012161
Energy: 1.0675356235207916
Energy: 1.0168805213421133
Energy: 1.1324664306590149
Energy: 1.0168805213425152

minimum gb energy = 1.000211221012161 eV
minimum distance =  2.25068795744122 Angstroms
sigma value = 25


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

Energy: 1.1323395747372569
Energy: 0.9455671472273077
Energy: 1.4137860949596097
Energy: 0.9455671472273077
Energy: 1.0701760880163342
Energy: 1.1652861018896619
Energy: 1.0395153039655796
Energy: 1.165286101891197
Energy: 1.0315893905892692
Energy: 0.9275138437304168
Energy: 1.0915498504386894
Energy: 0.9275138437288816
Energy: 1.0422129235789852
Energy: 0.9745546702271862
Energy: 1.0955238112347863
Energy: 0.9745546702287213
Energy: 1.029809423446473
Energy: 0.906395785252619
Energy: 1.0107647292017918
Energy: 0.9063957852541542
Energy: 1.0418925705908488
Energy: 0.9522052683991229
Energy: 1.0486304244797444
Energy: 0.9522052683975876
Energy: 0.9845818107567239
Energy: 0.908358613469632
Energy: 1.0104661910375226
Energy: 0.908358613469632
Energy: 1.0188089214915923
Energy: 0.9119009498937931
Energy: 1.0683164960575577
Energy: 0.9119009498968635
Energy: 0.9713929635098651
Energy: 0.9061290474815025
Energy: 0.984571121432405
Energy: 0.9061290474845729
Energy: 1.0357715755059858
Energy: 1.2742850883326553
Energy: 1.0091488654267942
Energy: 1.2742850883311199
Energy: 0.973039873394641
Energy: 0.9087255833037085
Energy: 0.9849770110865602
Energy: 0.9087255833052438
Energy: 1.0178226693087797
Energy: 0.9151301169547024
Energy: 1.06771775391995
Energy: 0.915130116959308
Energy: 0.9770797385702151
Energy: 0.9060224246271895
Energy: 1.0055585821475632
Energy: 0.9060224246302597
Energy: 1.0180714095438708
Energy: 1.0114505457739396
Energy: 1.00563802426372
Energy: 1.0114505457724046
Energy: 1.0188635918759894
Energy: 0.9060302426515701
Energy: 1.013537200936986
Energy: 0.9060302426515701
Energy: 1.0317623367930209
Energy: 0.9055081775954891
Energy: 0.9849978959534165
Energy: 0.9055081775985594
Energy: 1.0272880386928862
Energy: 0.9277799124573112
Energy: 1.0664367086630928
Energy: 0.9277799124603465
Energy: 0.9795760784367304
Energy: 0.9851066806188251
Energy: 1.0453419527358316
Energy: 0.9851066806218957
Energy: 1.1051987438894586
Energy: 0.944651176634412
Energy: 1.0144535697170198
Energy: 0.944651176634412
Energy: 1.069552545007058
Energy: 0.9713954369674273
Energy: 1.053466452071158
Energy: 0.9713954369689624
Energy: 1.0272157437016072
Energy: 0.9279091657140337
Energy: 1.066076807127573
Energy: 0.9279091657140337
Energy: 1.0184415720766746
Energy: 0.9253717622807424
Energy: 1.0453622934582283
Energy: 0.925371762279207
Energy: 1.0190051838347585
Energy: 0.9067975772681409
Energy: 1.0101445908404296
Energy: 0.9067975772681409
Energy: 1.0533185802591412
Energy: 0.905860317619161
Energy: 1.0317117399836304
Energy: 0.9058603176176256
Energy: 0.978880388811331
Energy: 0.9070257677963718
Energy: 1.0049086944514865
Energy: 0.9070257677994421
Energy: 1.0269129569791617
Energy: 0.9123240102705722
Energy: 1.0053498631089932
Energy: 0.9123240102675017

minimum gb energy = 0.9055081775954891 eV
minimum distance =  2.25778202184179 Angstroms
sigma value = 41


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

Energy: 1.1005917850707585
Energy: 0.88038714519543
Energy: 1.2585335376508273
Energy: 0.88038714519543
Energy: 0.9393890773412962
Energy: 1.05321978261886
Energy: 0.9690185919619193
Energy: 1.0532197826213772
Energy: 0.9493647206519137
Energy: 0.8529688760230456
Energy: 1.0368926177948607
Energy: 0.852968876024304
Energy: 0.963549346410726
Energy: 0.9108393115782383
Energy: 0.9676094858445811
Energy: 0.9108393115769795
Energy: 1.0103501441289
Energy: 0.8426460488946402
Energy: 0.9294858205331222
Energy: 0.8426460488908643
Energy: 0.9638018641626613
Energy: 0.9031645741815993
Energy: 0.9635443429319781
Energy: 0.903164574182858
Energy: 0.9263186614960067
Energy: 0.8305652011063541
Energy: 0.9644723448819895
Energy: 0.8305652011076128
Energy: 0.9664676238500256
Energy: 0.9055887814933048
Energy: 0.9632748718372862
Energy: 0.9055887814945635
Energy: 0.9522015802406276
Energy: 0.830572846016937
Energy: 0.9087506764471738
Energy: 0.8305728460119025
Energy: 0.9921596016595888
Energy: 0.9470040590170419
Energy: 0.9632501856300594
Energy: 0.9470040590132661
Energy: 0.9237372788548273
Energy: 0.8322967406922785
Energy: 0.9170302545712873
Energy: 0.8322967406947958
Energy: 0.9418602372928624
Energy: 1.213314606493325
Energy: 0.9752057393666285
Energy: 1.2133146064971008
Energy: 0.9244103416845982
Energy: 0.8307111133277183
Energy: 0.9160579346991153
Energy: 0.8307111133264597
Energy: 0.9942991273225149
Energy: 0.8372925205982921
Energy: 0.9532911118798989
Energy: 0.8372925205957747
Energy: 0.9496533587773435
Energy: 0.8308452668402112
Energy: 0.907404104611309
Energy: 0.8308452668402112
Energy: 0.9465927686458582
Energy: 0.9336298487317074
Energy: 1.0209429656388787
Energy: 0.9336298487354832
Energy: 0.9294713094543942
Energy: 0.8306347959506241
Energy: 0.9562825599298495
Energy: 0.8306347959543999
Energy: 0.9678606839441128
Energy: 0.8306776968233621
Energy: 0.9676630883081092
Energy: 0.8306776968233621
Energy: 0.9928943881467174
Energy: 0.8426164605131878
Energy: 0.9311346618070022
Energy: 0.8426164605106992
Energy: 0.97328029008706
Energy: 0.9032246815810516
Energy: 0.9322183745862446
Energy: 0.9032246815785344
Energy: 0.9474012979891504
Energy: 0.8518292186533034
Energy: 1.0145741950611402
Energy: 0.8518292186533034
Energy: 0.9400587464011135
Energy: 0.9188836978380777
Energy: 0.969472425669874
Energy: 0.918883697836819
Energy: 1.0671698204900395
Energy: 0.8800244837137968
Energy: 0.9332979147263745
Energy: 0.880024483710021
Energy: 0.9933541047375921
Energy: 0.9155286787138733
Energy: 0.9596914085355309
Energy: 0.9155286787151319
Energy: 0.9474268574758254
Energy: 0.8519098920401048
Energy: 1.0145520193905697
Energy: 0.8519098920363288
Energy: 0.9677491397267083
Energy: 0.893430524379709
Energy: 0.9678389359016879
Energy: 0.8934305243822264
Energy: 0.992887024352188
Energy: 0.8425792054326312
Energy: 0.9338262961074028
Energy: 0.8425792054338899
Energy: 0.9733105406318048
Energy: 0.8425220454985153
Energy: 0.9703697915706344
Energy: 0.8425220454997737
Energy: 0.9286698513205665
Energy: 0.8307410886692831
Energy: 0.9554616316698549
Energy: 0.8307410886705417
Energy: 0.965875798555285
Energy: 0.8301666700293693
Energy: 0.9666251620079787
Energy: 0.8301666700344038
Energy: 0.9500444127792373
Energy: 0.8307148098915733
Energy: 0.910791363950751
Energy: 0.8307148098978665
Energy: 0.9469307117761335
Energy: 0.8343053346119939
Energy: 0.9528098555874465
Energy: 0.8343053346107638

minimum gb energy = 0.8301666700293693 eV
minimum distance =  2.2604073981719 Angstroms
sigma value = 15


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

Energy: 1.0356648671393045
Energy: 0.8157811211809707
Energy: 1.1413075475932528
Energy: 0.8157811211777719
Energy: 0.9129510861619955
Energy: 0.9692034651237299
Energy: 0.896990689271442
Energy: 0.9692034651226638
Energy: 0.9643515957781389
Energy: 0.8039237779100429
Energy: 0.9835230508426113
Energy: 0.8039237779068443
Energy: 0.9077863477139991
Energy: 0.8446904711783059
Energy: 0.897209399429723
Energy: 0.8446904711676919
Energy: 0.9612789866592419
Energy: 0.7864621431146981
Energy: 0.8657532743564114
Energy: 0.7864621431114995
Energy: 0.9075433324493541
Energy: 0.8400831141402677
Energy: 0.9004342101752765
Energy: 0.8400831141360029
Energy: 0.8579956259480092
Energy: 0.7776534665512215
Energy: 0.9283265942927441
Energy: 0.777653466549089
Energy: 0.9015789017417751
Energy: 0.8417657430874169
Energy: 0.9005968044642534
Energy: 0.8417657430884831
Energy: 0.9069010622823416
Energy: 0.7698377399946844
Energy: 0.8494533228318566
Energy: 0.7698377399936182
Energy: 0.9020462792222123
Energy: 0.8437486333391349
Energy: 0.9033926424457634
Energy: 0.8437486333391349
Energy: 0.8556395229515341
Energy: 0.769517480819449
Energy: 0.8808529922773465
Energy: 0.769517480810919
Energy: 0.9017746231183419
Energy: 0.9064833209067179
Energy: 0.9290470452146536
Energy: 0.9064833209099167
Energy: 0.8758164578957917
Energy: 0.7708360197867549
Energy: 0.8599629028957099
Energy: 0.7708360197846225
Energy: 0.9122694664601407
Energy: 0.7831294342581618
Energy: 0.887186695314512
Energy: 0.783129434247548
Energy: 0.8714011843560698
Energy: 0.7698124709629095
Energy: 0.8562919198343325
Energy: 0.769812470960777
Energy: 0.9013832379746579
Energy: 0.9531362934551346
Energy: 0.9374430104613174
Energy: 0.9531362934519358
Energy: 0.856055706638352
Energy: 0.7697032643104659
Energy: 0.8823401352975727
Energy: 0.7697032643147308
Energy: 0.9452826358940306
Energy: 0.8711939564191773
Energy: 0.896254971021211
Energy: 0.8711939564170449
Energy: 0.9064326659470785
Energy: 0.7697729594394694
Energy: 0.853918345301347
Energy: 0.7697729594384033
Energy: 0.9140374352075415
Energy: 0.783258035854057
Energy: 0.8981745521157867
Energy: 0.7832580358497921
Energy: 0.8603809185717846
Energy: 0.7769597401410689
Energy: 0.9106721936222065
Energy: 0.7769597401410689
Energy: 0.8963907961440485
Energy: 0.835257215444927
Energy: 0.9162083029951938
Energy: 0.8352572154438608
Energy: 0.9476632635298766
Energy: 0.7865291030344956
Energy: 0.8663441593453022
Energy: 0.7865291030302306
Energy: 0.9019648765129441
Energy: 0.8426604735853025
Energy: 0.8778216065720819
Energy: 0.8426604735831701
Energy: 0.8819726678243294
Energy: 0.8034110524822676
Energy: 0.9620807352512705
Energy: 0.8034110524854662
Energy: 0.8738361417458779
Energy: 0.8529549876085487
Energy: 0.9189734901111127
Energy: 0.8529549876096149
Energy: 1.0094159412448076
Energy: 0.8171182527215384
Energy: 0.8685912684643867
Energy: 0.8171182527204721
Energy: 0.9129682235834824
Energy: 0.8576629343853234
Energy: 0.8776864853688525
Energy: 0.8576629343821246
Energy: 0.8879048044445331
Energy: 0.8022158451490224
Energy: 0.9621835386961844
Energy: 0.8022158451458238
Energy: 0.896171486616439
Energy: 0.8427191227121283
Energy: 0.9191046720909335
Energy: 0.8427191227121283
Energy: 0.948075071693235
Energy: 0.7862545556741828
Energy: 0.868565379135964
Energy: 0.7862545556709841
Energy: 0.9021287553484026
Energy: 0.838656511638015
Energy: 0.8982470457069883
Energy: 0.8386565116412136
Energy: 0.8594875357131465
Energy: 0.7770671782913349
Energy: 0.9177359889139711
Energy: 0.7770671782987988
Energy: 0.8997183149944864
Energy: 0.777253595779754
Energy: 0.911881151790623
Energy: 0.7772535957808203
Energy: 0.9064367939938892
Energy: 0.7695241036093718
Energy: 0.8552191451291119
Energy: 0.769524103614703
Energy: 0.9056075739338852
Energy: 0.7803975413959313
Energy: 0.9026895469845504
Energy: 0.7803975414012625
Energy: 0.8640583053497229
Energy: 0.7697334852496788
Energy: 0.8823450899322988
Energy: 0.7697334852475461

minimum gb energy = 0.769517480810919 eV
minimum distance =  2.26244838044646 Angstroms
sigma value = 85


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

Energy: 1.0307967472596269
Energy: 0.7794682462836676
Energy: 1.0300856102588745
Energy: 0.7794682462836676
Energy: 0.8030695548796681
Energy: 0.9079914971214517
Energy: 0.83999748505812
Energy: 0.9079914971205268
Energy: 0.7883407321363788
Energy: 0.7741626336429125
Energy: 0.9903219084430851
Energy: 0.7741626336429125
Energy: 0.8252567626985109
Energy: 0.7591924158329334
Energy: 0.8400395579917318
Energy: 0.7591924158347829
Energy: 0.9396743182209529
Energy: 0.736706225500764
Energy: 0.7810243925351122
Energy: 0.736706225500764
Energy: 0.8253182359565187
Energy: 0.7552657049879169
Energy: 0.8367402948851229
Energy: 0.7552657049860674
Energy: 0.7817943346835109
Energy: 0.7357750774709493
Energy: 0.9127889500903928
Energy: 0.7357750774709493
Energy: 0.8268463561157134
Energy: 0.803824047862978
Energy: 0.8369380441124306
Energy: 0.8038240478639026
Energy: 0.8783815350916603
Energy: 0.712900133243287
Energy: 0.7956218080505696
Energy: 0.712900133243287
Energy: 0.8271441148963975
Energy: 0.768378929418447
Energy: 0.8422616873635949
Energy: 0.7683789294212212
Energy: 0.771014202056009
Energy: 0.7128217838462274
Energy: 0.8542228859149572
Energy: 0.7128217838453026
Energy: 0.8432203857443813
Energy: 0.7857124462283146
Energy: 0.8421706326136129
Energy: 0.7857124462273898
Energy: 0.8244345369902641
Energy: 0.7125676264380528
Energy: 0.796512249492508
Energy: 0.7125676264352786
Energy: 0.8710948056840139
Energy: 0.8530616864116173
Energy: 0.8422395041891517
Energy: 0.8530616864106927
Energy: 0.7840515721112866
Energy: 0.7129458247151824
Energy: 0.8137939967306266
Energy: 0.7129458247124082
Energy: 0.8306080204238376
Energy: 0.7219592296116303
Energy: 0.848114899440468
Energy: 0.7219592296088561
Energy: 0.7880090788905549
Energy: 0.7128924732171571
Energy: 0.8123274297905755
Energy: 0.7128924732190066
Energy: 0.8730890094178865
Energy: 0.9040434724133463
Energy: 0.8414207100883602
Energy: 0.9040434724142709
Energy: 0.8191190201857943
Energy: 0.7126388282761218
Energy: 0.7932535457122004
Energy: 0.7126388282770466
Energy: 0.8426217588615444
Energy: 0.816946293268412
Energy: 0.873439088719965
Energy: 0.8169462932721111
Energy: 0.7740016773155931
Energy: 0.7126146634916211
Energy: 0.8463071893525714
Energy: 0.7126146634906964
Energy: 0.8270871292314097
Energy: 0.7057215857553437
Energy: 0.8403900580616168
Energy: 0.7057215857525693
Energy: 0.8583914583598581
Energy: 0.7114931813978256
Energy: 0.7957101390810798
Energy: 0.7114931813950514
Energy: 0.849959279152435
Energy: 0.7672791672557575
Energy: 0.8158023792535923
Energy: 0.7672791672548329
Energy: 0.7831266161071269
Energy: 0.7365841567680019
Energy: 0.8933492414284209
Energy: 0.7365841567698515
Energy: 0.8254295866141185
Energy: 0.7557693479055491
Energy: 0.8368774746152846
Energy: 0.755769347906474
Energy: 0.9109413592506638
Energy: 0.7369524180692405
Energy: 0.7814817576406379
Energy: 0.7369524180729397
Energy: 0.8585452448075405
Energy: 0.7691430268419323
Energy: 0.7839512513919678
Energy: 0.7691430268447065
Energy: 0.787566990397687
Energy: 0.7743245054621444
Energy: 0.9531729050782313
Energy: 0.7743245054649186
Energy: 0.8042190697040247
Energy: 0.7618472992239708
Energy: 0.8398326829648671
Energy: 0.7618472992221214
Energy: 0.9773227902617955
Energy: 0.7797796841191326
Energy: 0.7833252068179888
Energy: 0.7797796841163583
Energy: 0.8740916928746069
Energy: 0.7815032624079495
Energy: 0.7838518024683415
Energy: 0.7815032624116486
Energy: 0.7873334593296514
Energy: 0.7743182585129122
Energy: 0.9532121424409078
Energy: 0.7743182585119874
Energy: 0.8251343009758476
Energy: 0.758722454440878
Energy: 0.8399440344303615
Energy: 0.7587224544399532
Energy: 0.9109768289441227
Energy: 0.7371625776690534
Energy: 0.7831798792282116
Energy: 0.7371625776690534
Energy: 0.8583369617118826
Energy: 0.7674412280225483
Energy: 0.8156473349365562
Energy: 0.7674412280262474
Energy: 0.7830449646809889
Energy: 0.7352452327856486
Energy: 0.8931258796308362
Energy: 0.7352452327856486
Energy: 0.8269110589642236
Energy: 0.8067895162265319
Energy: 0.8368929308050191
Energy: 0.8067895162283815
Energy: 0.8583761541341314
Energy: 0.7114756401020135
Energy: 0.7947837409751979
Energy: 0.7114756401001641
Energy: 0.8503767230973912
Energy: 0.7020995614853497
Energy: 0.8295375871484046
Energy: 0.7020995614825755
Energy: 0.7710620498301991
Energy: 0.7116830185827409
Energy: 0.8463764087036896
Energy: 0.7116830185836657
Energy: 0.8429907621572971
Energy: 0.7056416279474056
Energy: 0.8409754955567887
Energy: 0.7056416279501798
Energy: 0.8190444535237323
Energy: 0.7014705035827393
Energy: 0.7937643876948431
Energy: 0.7014705035827393

minimum gb energy = 0.7014705035827393 eV
minimum distance =  2.2701315159264 Angstroms
sigma value = 113


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

Energy: 0.014457189997229001
Energy: 0.014605422223877654
Energy: 1.3542526258256247
Energy: 0.014605422223166756
Energy: 0.015109301636644017
Energy: 0.6565046462516982
Energy: 0.015109301636644017
Energy: 0.6565046462545022
Energy: 1.3542526258256247
Energy: 0.014605422223877654
Energy: 0.014457189997229001
Energy: 0.014605422223877654
Energy: 0.015109301636644017
Energy: 0.6565046462475512
Energy: 0.015109301636644017
Energy: 0.6565046462545022
Energy: 0.014457189996557597
Energy: 0.014605422223877654
Energy: 1.3542526258256247
Energy: 0.014605422223166756
Energy: 0.015109301636644017
Energy: 0.6565046462537913
Energy: 0.015109301636644017
Energy: 0.6565046462545022

minimum gb energy = 0.014457189996557597 eV
minimum distance =  2.41182585782106 Angstroms
sigma value = 1