Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614959037303926
cohesive_energy=3.5402730691080047
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4503143217463098e-19, 2.16689583218598e-19, 2.71517669810712e-19, 3.14797267224954e-19, 3.5145987514077595e-19, 3.8389113456620394e-19, 4.1236982423555394e-19, 4.36995279100134e-19, 4.58172849848346e-19, 4.763799851171219e-19, 4.920412617144719e-19, 5.05497943263438e-19, 5.1704002373477395e-19, 5.26912636153482e-19, 5.35336880895054e-19, 5.42503416978936e-19, 5.485740642451619e-19, 5.536769968244519e-19, 5.579019366083099e-19, 5.61300153249024e-19, 5.639020881026399e-19, 5.65733375995302e-19, 5.66814845223252e-19, 5.671673240827319e-19, 5.667908125737419e-19, 5.65577964861804e-19, 5.63434252525512e-19, 5.60266749320094e-19, 5.557069546197299e-19, 5.4941040044811e-19, 5.410550493017999e-19, 5.30285217968052e-19, 5.16698760111732e-19, 4.998310445089799e-19, 4.7913893328087e-19, 4.53949512241122e-19, 4.23387992947572e-19, 3.8624953857145196e-19, 3.40834239704088e-19, 2.84828553285984e-19, 2.15207569832148e-19, 1.2810571777772818e-19, 1.84591576533042e-20, -1.2102377662012139e-19, -3.02071178221092e-19, -5.43419862013584e-19, -8.7154403448015e-19, -1.322185051972062e-18]
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: 0.013653615435608606
Energy: 0.014317213500416788
Energy: 0.5516287558104226
Energy: 0.09664706121503079
Energy: 0.014317213499824403
Energy: 0.5343952930718923
Energy: 0.09664706121562316
Energy: 0.5343952930712651
Energy: 0.5516287558073562
Energy: 0.09664706121440354
Energy: 0.013653615435608606
Energy: 0.01431721350104402
Energy: 0.09664706121562316
Energy: 0.5343952930712651
Energy: 0.014317213500416788
Energy: 0.5343952930718923

minimum gb energy = 0.013653615435608606 eV
minimum distance =  2.51712754727289 Angstroms
sigma value = 1


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

Energy: 1.0772509256339118
Energy: 0.7067187196537491
Energy: 0.7697056524748203
Energy: 0.768949420969644
Energy: 0.728045342791023
Energy: 0.7765704546025467
Energy: 0.7207931577809112
Energy: 0.7765704546010254
Energy: 0.7699784544858398
Energy: 0.7694997135730911
Energy: 1.1681110623125854
Energy: 0.7694997135723306
Energy: 0.7215523402330521
Energy: 0.7200094266342856
Energy: 0.720897884599865
Energy: 0.7200094266320382
Energy: 1.0017171542966414
Energy: 0.7200256695173135
Energy: 0.7212161638644677
Energy: 0.7200256695180741
Energy: 0.7586313459101015
Energy: 0.7711733545789015
Energy: 0.7209336578455554
Energy: 0.7711733545781407
Energy: 0.757714638196691
Energy: 0.7693044667700236
Energy: 1.0008590529645138
Energy: 0.7693044667692629
Energy: 0.7579638473678371
Energy: 0.799995413283089
Energy: 0.7829867953991816
Energy: 0.7999954132823283
Energy: 0.8674146390009451
Energy: 0.7886061340206995
Energy: 0.7720612650558262
Energy: 0.7886061340214601
Energy: 0.7905802558944682
Energy: 0.7935659657377532
Energy: 0.7725625259697579
Energy: 0.7935659657385139
Energy: 0.769531417075167
Energy: 0.7880564560401366
Energy: 0.8674170993866481
Energy: 0.788056456041658
Energy: 0.7571644621233609
Energy: 0.7869995336493697
Energy: 0.7812564191791913
Energy: 0.7869995336508911
Energy: 0.7720911773498331
Energy: 0.769021571198636
Energy: 0.7346583209442133
Energy: 0.7690215711978753
Energy: 0.75641879548468
Energy: 0.7696999153139173
Energy: 0.734750743765768
Energy: 0.7696999153139173
Energy: 0.7344346787336854
Energy: 0.7196974132467674
Energy: 0.7197297642264684
Energy: 0.7196974132475279
Energy: 0.703933522437914
Energy: 0.7208529767780222
Energy: 0.7203420352941878
Energy: 0.7208529767803042
Energy: 0.7689339719060416
Energy: 0.7686720142028299
Energy: 0.7032931775111246
Energy: 0.7686720142020692
Energy: 0.7209022909031197
Energy: 0.7202242585602571
Energy: 0.7343719398359706
Energy: 0.7202242585579749
Energy: 0.7199510891738652
Energy: 0.7700560474348592
Energy: 0.7716135038825489
Energy: 0.7700560474340984
Energy: 0.7558724121195926
Energy: 0.7198345991165381
Energy: 0.7214335116759868
Energy: 0.7198345991150168
Energy: 0.7239158333841559
Energy: 0.7213668675481888
Energy: 0.7546322996775465
Energy: 0.7213668675474282
Energy: 0.721467851460618
Energy: 0.7203847915755563
Energy: 0.7579746982154465
Energy: 0.7203847915755563
Energy: 0.7555774537659007
Energy: 0.7706844231442086
Energy: 0.7560340679816907
Energy: 0.7706844231442086
Energy: 0.7829439316503781
Energy: 0.7697586948931053
Energy: 0.7599375414644343
Energy: 0.7697586948931053
Energy: 0.7729807875437561
Energy: 0.7889823363619746
Energy: 0.8676878310145641
Energy: 0.7889823363627353
Energy: 0.7737099875072102
Energy: 0.786445417396295
Energy: 0.7921685628930587
Energy: 0.7864454173978164
Energy: 0.8688034231106934
Energy: 0.7880192097027874
Energy: 0.7695231113381888
Energy: 0.7880192097027874
Energy: 0.7804750662485508
Energy: 0.7874532303198067
Energy: 0.7572859255353638
Energy: 0.7874532303198067
Energy: 0.7343099199793283
Energy: 0.7688991898784074
Energy: 0.7718940466886376
Energy: 0.7688991898769206
Energy: 0.7343039136480207
Energy: 0.7694697124822582
Energy: 0.7573136811709382
Energy: 0.7694697124830188
Energy: 0.7192437944932082
Energy: 0.7197862629998502
Energy: 0.7342028436036537
Energy: 0.7197862629998502
Energy: 0.7205070779035103
Energy: 0.7201553652225469
Energy: 0.7041092433028339
Energy: 0.7201553652233076
Energy: 0.7033012300201079
Energy: 0.722019214570706
Energy: 0.7693552070764992
Energy: 0.7220192145691844

minimum gb energy = 0.7032931775111246 eV
minimum distance =  2.28155693418204 Angstroms
sigma value = 1


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

Energy: 1.2257059229494416
Energy: 0.7388033154864851
Energy: 0.8124903563084263
Energy: 0.8111891568248346
Energy: 0.7664172494853349
Energy: 0.8132379148788326
Energy: 0.7552142887787705
Energy: 0.8132379148762305
Energy: 0.8107486319298689
Energy: 0.8114011143870722
Energy: 1.1260408787619283
Energy: 0.8114011143853376
Energy: 0.7576025932417487
Energy: 0.7556210281598705
Energy: 0.754872504894795
Energy: 0.7556210281564011
Energy: 0.7554921707649983
Energy: 0.7560763266997588
Energy: 0.7575105264472308
Energy: 0.7560763266971567
Energy: 0.798454104468059
Energy: 0.8432109286891393
Energy: 0.7563248479230124
Energy: 0.8432109286865372
Energy: 0.8005206821000324
Energy: 0.8157901776556149
Energy: 0.9495843872162257
Energy: 0.8157901776547475
Energy: 0.7975187020421064
Energy: 0.8165907320820136
Energy: 0.8226025299107103
Energy: 0.8165907320828808
Energy: 0.7978323280202355
Energy: 0.8356772292173391
Energy: 0.8089282895454372
Energy: 0.8356772292112677
Energy: 0.8215860877394768
Energy: 0.8416144990654756
Energy: 0.7992970647495848
Energy: 0.8416144990654756
Energy: 0.7757045780120447
Energy: 0.8153203383632318
Energy: 0.8247809427361678
Energy: 0.81532033836063
Energy: 0.775596213895186
Energy: 0.817111622524742
Energy: 0.7975102839079462
Energy: 0.8171116225290787
Energy: 0.756251214967143
Energy: 0.7556729359450838
Energy: 0.7747455649642062
Energy: 0.7556729359476858
Energy: 0.7547734810842119
Energy: 0.755514286052381
Energy: 0.7347341980304799
Energy: 0.755514286054983
Energy: 0.7337297160090653
Energy: 0.8108751769397385
Energy: 0.8111077131058734
Energy: 0.8108751769432078
Energy: 0.7750259294381086
Energy: 0.7556473635997067
Energy: 0.7549292203481891
Energy: 0.7556473635685224
Energy: 0.8114819110551119
Energy: 0.8119743392991151
Energy: 0.7551622697568977
Energy: 0.8119743392999824
Energy: 0.7574111233256607
Energy: 0.7560505590351898
Energy: 0.7957244675795873
Energy: 0.7560505590421284
Energy: 0.755735014122865
Energy: 0.7584557421417146
Energy: 0.7570511941565102
Energy: 0.7584557421417146
Energy: 0.7985322874242357
Energy: 0.7558400657536333
Energy: 0.7558478620449163
Energy: 0.7558400657518987
Energy: 0.7973465258271307
Energy: 0.817471830053919
Energy: 0.7961094061780417
Energy: 0.8174718300513172
Energy: 0.7958985675455327
Energy: 0.8168484147989066
Energy: 0.8235119818801657
Energy: 0.8168484147963045
Energy: 0.7999473498182247
Energy: 0.8359431768617057
Energy: 0.8088259113450079
Energy: 0.8359431768591038
Energy: 0.7992360859031166
Energy: 0.8349324984741269
Energy: 0.7984463435766112
Energy: 0.8349324984793308
Energy: 0.7756985091068203
Energy: 0.8152898548256725
Energy: 0.825152463642654
Energy: 0.8152898548248052
Energy: 0.7756170524773556
Energy: 0.816103671011662
Energy: 0.7980484796480054
Energy: 0.81610367100906
Energy: 0.7558055523898921
Energy: 0.7563258165180468
Energy: 0.7741867649076191
Energy: 0.7563258165197815
Energy: 0.7546919986658314
Energy: 0.755810383585988
Energy: 0.73451385770088
Energy: 0.7558103835807841
Energy: 0.7336344786543457
Energy: 0.7577957539225101
Energy: 0.8115259804443035
Energy: 0.7577957539190407

minimum gb energy = 0.7336344786543457 eV
minimum distance =  2.28769612591683 Angstroms
sigma value = 25


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

Energy: 1.175448965724238
Energy: 0.7719613270433252
Energy: 0.8573683672372542
Energy: 0.8581137867801963
Energy: 0.8114895071514718
Energy: 0.8514260950895078
Energy: 0.7960620675704116
Energy: 0.8514260950895078
Energy: 0.8567952480188403
Energy: 0.8571452983329666
Energy: 0.7930559144474696
Energy: 0.8571452983329666
Energy: 0.7966269276708678
Energy: 0.7962014725098715
Energy: 0.7957320885319412
Energy: 0.7962014725098715
Energy: 0.794240430316366
Energy: 0.7964826743571748
Energy: 0.7957059369118842
Energy: 0.7964826743571748
Energy: 0.8356102683387943
Energy: 0.8961999823111148
Energy: 0.7957348604060308
Energy: 0.8961999823101066
Energy: 0.8346338788131589
Energy: 0.8743513771080622
Energy: 0.8329055514581799
Energy: 0.874351377107054
Energy: 0.8329999403538886
Energy: 0.87385636474392
Energy: 0.8247092823275485
Energy: 0.87385636474392
Energy: 0.8341355475832755
Energy: 0.8746889918685458
Energy: 0.8228233559861907
Energy: 0.8746889918685458
Energy: 0.8357609181321289
Energy: 0.873904596433944
Energy: 0.7961580989667353
Energy: 0.8739045964329358
Energy: 0.7660167526576597
Energy: 0.795912032179329
Energy: 0.7946008543698289
Energy: 0.795912032179329
Energy: 0.7657066475155495
Energy: 0.7962444426172214
Energy: 0.7953735925039825
Energy: 0.7962444426172214
Energy: 0.8563499768615275
Energy: 0.8575805291964397
Energy: 0.7648309062206522
Energy: 0.8575805291964397
Energy: 0.795976843455989
Energy: 0.7961988179496141
Energy: 0.8224851568104354
Energy: 0.7961988179496141
Energy: 0.7942930070204087
Energy: 0.8581332106663088
Energy: 0.8592175168970613
Energy: 0.8581332106653006
Energy: 0.7949025487936411
Energy: 0.7956093831837292
Energy: 0.7966960810915282
Energy: 0.7956093831837292
Energy: 0.797336834926888
Energy: 0.799021816855048
Energy: 0.7947127042541218
Energy: 0.7990218168540398
Energy: 0.7959277792720639
Energy: 0.796164713134865
Energy: 0.7982597989300673
Energy: 0.7961647131338568
Energy: 0.8328110034837406
Energy: 0.874022287256254
Energy: 0.8382828222052803
Energy: 0.8740222872572623
Energy: 0.7956813739591129
Energy: 0.8748911306603722
Energy: 0.834827543119476
Energy: 0.8748911306603722
Energy: 0.8233462131101189
Energy: 0.8865456973170202
Energy: 0.893555953736428
Energy: 0.886545697316012
Energy: 0.8233724865115005
Energy: 0.874912496410854
Energy: 0.8347138648880494
Energy: 0.8749124964098457
Energy: 0.7943304675060517
Energy: 0.7964362972258869
Energy: 0.7656267172979047
Energy: 0.7964362972258869
Energy: 0.795455238878423
Energy: 0.7964693295898942
Energy: 0.7657761002160504
Energy: 0.7964693295888859
Energy: 0.7644731603051441
Energy: 0.7968106556296674
Energy: 0.8566891766581901
Energy: 0.7968106556276509

minimum gb energy = 0.7644731603051441 eV
minimum distance =  2.29567274080741 Angstroms
sigma value = 9


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

Energy: 1.0981603925414312
Energy: 0.800080390167856
Energy: 0.9082389467655054
Energy: 0.9075683738193252
Energy: 0.8641511914913967
Energy: 0.8872382407408185
Energy: 0.8403727660990618
Energy: 0.8872382407432241
Energy: 0.9074660560122709
Energy: 0.9073924528283124
Energy: 0.9048651622891353
Energy: 0.9073924528283124
Energy: 0.8352949008821119
Energy: 0.8876709825573434
Energy: 0.8396531363698571
Energy: 0.8876709825585462
Energy: 0.8354238794509088
Energy: 0.8429593979891455
Energy: 0.8388179907671542
Energy: 0.8429593979891455
Energy: 0.8340530910238427
Energy: 0.8424214678373925
Energy: 0.8408719656079009
Energy: 0.842421467834987
Energy: 0.8813725684691254
Energy: 0.9450392676326793
Energy: 0.8394179016669822
Energy: 0.945039267633882
Energy: 0.8411096594980667
Energy: 0.941691044047969
Energy: 0.8413813878661437
Energy: 0.9416910440491716
Energy: 0.8404449565523369
Energy: 0.843762647986082
Energy: 0.7925971500669999
Energy: 0.8437626479884875
Energy: 0.8407020895599261
Energy: 0.8434346951658008
Energy: 0.7927121275574937
Energy: 0.8434346951658008
Energy: 0.7907051992288315
Energy: 0.9065730046146239
Energy: 0.9060597328672105
Energy: 0.9065730046158268
Energy: 0.875150789514828
Energy: 0.8430184071182448
Energy: 0.840544110211574
Energy: 0.8430184071182448
Energy: 0.9080397426633314
Energy: 0.9073635376009576
Energy: 0.9052181252576947
Energy: 0.9073635375997549
Energy: 0.9073469453734696
Energy: 0.8884686464919532
Energy: 0.9057671596910826
Energy: 0.8884686464919532
Energy: 0.8356955187721522
Energy: 0.8366797441360906
Energy: 0.8398349645234746
Energy: 0.8366797441348878
Energy: 0.8342016418525255
Energy: 0.8432432237260267
Energy: 0.8394597326144618
Energy: 0.8432432237260267
Energy: 0.8731945010766837
Energy: 0.9473352465728837
Energy: 0.8388888032858973
Energy: 0.9473352465704783
Energy: 0.8716823026536967
Energy: 0.9447116838804427
Energy: 0.8404760911760151
Energy: 0.9447116838816453
Energy: 0.8403171836705798
Energy: 0.8441064490849912
Energy: 0.7925155837157021
Energy: 0.8441064490837885
Energy: 0.8405556393050586
Energy: 0.8438090746294006
Energy: 0.7928704945158772
Energy: 0.8438090746318061
Energy: 0.7904833871462781
Energy: 0.8345832848776477
Energy: 0.9061824216083749
Energy: 0.8345832848764447

minimum gb energy = 0.7904833871462781 eV
minimum distance =  2.31335752122007 Angstroms
sigma value = 25


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

Energy: 0.9879683391927294
Energy: 0.8243189857498247
Energy: 0.9610793113143291
Energy: 0.9606544424765434
Energy: 0.9561351565463375
Energy: 0.8874311337962484
Energy: 0.8402256954454703
Energy: 0.8874311337962484
Energy: 0.9602560370746147
Energy: 0.9604765577082645
Energy: 0.9675679467744818
Energy: 0.9604765577082645
Energy: 0.9613946703542418
Energy: 0.8882183791660665
Energy: 0.8395649383358788
Energy: 0.8882183791660665
Energy: 0.8351008272338479
Energy: 0.8398027969916491
Energy: 0.8419140485860588
Energy: 0.8398027969916491
Energy: 0.818329374384308
Energy: 0.8408252056573702
Energy: 0.8375032936401912
Energy: 0.8408252056558827
Energy: 0.8146437132386016
Energy: 0.8395904246210371
Energy: 0.8405796980358875
Energy: 0.8395904246314493
Energy: 0.8152406802875636
Energy: 0.8890616669494528
Energy: 0.8423719271760947
Energy: 0.8890616669494528
Energy: 0.9584568874043439
Energy: 0.958718494731955
Energy: 1.0952971082304228
Energy: 0.958718494731955
Energy: 0.9610399287570576
Energy: 0.8915930859816323
Energy: 0.9555003149110215
Energy: 0.8915930859801449
Energy: 0.9680300901116865
Energy: 0.9598631296925395
Energy: 0.9650672086039034
Energy: 0.9598631296925395
Energy: 0.9576172246831582
Energy: 0.8900895107661125
Energy: 0.9592764603760767
Energy: 0.8900895107661125
Energy: 0.8383721837661944
Energy: 0.8215628806792127
Energy: 0.8352929780095644
Energy: 0.8215628806807002
Energy: 0.8411002197815155
Energy: 0.8400012373878191
Energy: 0.8202222419641612
Energy: 0.8400012373997187
Energy: 0.840377710119334
Energy: 0.925367877092429
Energy: 0.8152226716868076
Energy: 0.9253678770939164
Energy: 0.8387422946177185
Energy: 0.8393302706990952
Energy: 0.8151827130156617
Energy: 0.8393302707005826
Energy: 1.0938673670275658
Energy: 0.8200802190946312
Energy: 0.9572323442764431
Energy: 0.8200802190946312

minimum gb energy = 0.8146437132386016 eV
minimum distance =  2.35600584215129 Angstroms
sigma value = 17


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

Energy: 1.3560717042404753
Energy: 0.9735146020838747
Energy: 1.062360920393738
Energy: 1.0630056984915308
Energy: 0.8397467554917116
Energy: 0.9114966844311285
Energy: 0.9969635988763562
Energy: 0.9114966844311285
Energy: 0.906243836886488
Energy: 0.9063871999306424
Energy: 1.0632343632078005
Energy: 0.9063871999306424
Energy: 0.9061744388306264
Energy: 0.9075699413348441
Energy: 0.9069314816923757
Energy: 0.907569941332317
Energy: 0.9061048456656045
Energy: 0.9412976572554721
Energy: 0.8426911496545223
Energy: 0.9412976572537872
Energy: 0.9044019411454629
Energy: 0.8987391835231012
Energy: 0.9059556328944215
Energy: 0.8987391835222589
Energy: 0.9634075419468399
Energy: 0.9044519678874083
Energy: 0.9028634682421599
Energy: 0.9044519678882507
Energy: 1.1504222408441525
Energy: 0.9086841513564149
Energy: 0.8607222056197165
Energy: 0.9086841513572573
Energy: 1.067227043112744
Energy: 1.059384318434359
Energy: 1.0612583677757188
Energy: 1.0593843184360439
Energy: 1.0576572548029721
Energy: 0.9655068351101017
Energy: 0.9073961449533581
Energy: 0.9655068351126289
Energy: 0.9031169769128357
Energy: 0.8614293427644821
Energy: 0.8552253616339462
Energy: 0.861429342766167
Energy: 0.9708880490021808
Energy: 0.8575961214330362
Energy: 0.8616011385241891
Energy: 0.8575961214321939
Energy: 0.9643679112282907
Energy: 0.8586246885787849
Energy: 0.8599797331680833
Energy: 0.8586246885821162
Energy: 0.9650254810564691
Energy: 0.8567683852332686
Energy: 0.8563361040178191
Energy: 0.8567683852349535
Energy: 1.0601051790316998
Energy: 0.9762678955850598
Energy: 1.147124699568311
Energy: 0.9762678955875871
Energy: 1.071185395168354
Energy: 1.0610043631805073
Energy: 1.1493299445355118
Energy: 1.0610043631805073
Energy: 1.058102967387321
Energy: 0.9044839223278752
Energy: 0.9051957914783811
Energy: 0.9044839223278752
Energy: 1.0577098999480088
Energy: 0.9045390367850777
Energy: 0.9029251528208526
Energy: 0.9045390367850777
Energy: 0.9050340843888814
Energy: 0.9402661652963524
Energy: 0.9066682663100233
Energy: 0.94026616529551
Energy: 0.9350493646345338
Energy: 0.8979850950685331
Energy: 0.9060126660664396
Energy: 0.8979850950685331
Energy: 0.9039986254494413
Energy: 0.9053904618866263
Energy: 0.9734651262380712
Energy: 0.9053904618866263
Energy: 0.9054362554037888
Energy: 0.9064363353795489
Energy: 0.9634781585373057
Energy: 0.9064363353795489
Energy: 0.9972689314180083
Energy: 0.9682724367507243
Energy: 0.9959577486602921
Energy: 0.9682724367498817
Energy: 1.060112117109066
Energy: 1.0601534122604024
Energy: 1.0598398486263374
Energy: 1.0601534122595602
Energy: 0.8629530440486491
Energy: 0.8583249369293677
Energy: 1.0611063254388307
Energy: 0.8583249369293677
Energy: 0.862257004063247
Energy: 0.8574026057069427
Energy: 0.9028772407101912
Energy: 0.8574026057069427
Energy: 0.8548407217904153
Energy: 0.8594012190058304
Energy: 0.9737478262070324
Energy: 0.8594012190033031
Energy: 0.860156239889112
Energy: 0.857983030902888
Energy: 0.9643781192865198
Energy: 0.857983030902888
Energy: 0.8585892074772726
Energy: 0.9067016169908207
Energy: 0.9646456063608826
Energy: 0.9067016169899782
Energy: 1.1515656214361876
Energy: 1.0611877607715126
Energy: 1.0612626119458166
Energy: 1.0611877607715126

minimum gb energy = 0.8397467554917116 eV
minimum distance =  2.31979282845752 Angstroms
sigma value = 53


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

Energy: 1.2407838278041798
Energy: 0.8081308989854246
Energy: 0.985183549808404
Energy: 0.9864149184639478
Energy: 1.1203775894748649
Energy: 0.8609118523035773
Energy: 0.9647724803469998
Energy: 0.8609118523055167
Energy: 0.9827353105631517
Energy: 0.9680043988861907
Energy: 0.9694530773615099
Energy: 0.9680043988861907
Energy: 0.9690375234487038
Energy: 0.8618231172804645
Energy: 0.9675722145335519
Energy: 0.8618231172765858
Energy: 0.9763731862704792
Energy: 0.8612599300600273
Energy: 0.8022744612844598
Energy: 0.8612599300600273
Energy: 0.9674296592583832
Energy: 0.8625385149741325
Energy: 0.8057155259984242
Energy: 0.8625385149721929
Energy: 1.1220512610034792
Energy: 0.965831424318671
Energy: 0.9644043750514404
Energy: 0.9658314243283238
Energy: 1.122217599545254
Energy: 0.8627260286332588
Energy: 0.9718393450696065
Energy: 0.8627260286313193
Energy: 0.9680380544903667
Energy: 0.9674723670566641
Energy: 0.9703221329016267
Energy: 0.9674723670547247
Energy: 0.9634270563848023
Energy: 0.8627517526390958
Energy: 0.9656240380135315
Energy: 0.8627517526390958
Energy: 0.9763920684102623
Energy: 0.8650876314016127
Energy: 0.807104520961281
Energy: 0.8650876314016127
Energy: 0.9670120103253511
Energy: 0.8612991938750925
Energy: 0.7983770788433439
Energy: 0.8612991938750925
Energy: 1.1223708180490455
Energy: 0.8640236324006153
Energy: 0.9710800773692425
Energy: 0.8640236323986759

minimum gb energy = 0.7983770788433439 eV
minimum distance =  2.34227746591942 Angstroms
sigma value = 9


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

Energy: 1.2094454465110203
Energy: 0.9959755923148943
Energy: 1.1137144536449441
Energy: 1.110480953999098
Energy: 0.909993398027367
Energy: 0.8818919575804515
Energy: 1.0793780767522936
Energy: 0.8818919575804515
Energy: 0.8829259751199785
Energy: 0.8829654221935612
Energy: 1.0670231467277713
Energy: 0.8829654221921256
Energy: 0.8821799264863465
Energy: 0.8824704031166154
Energy: 1.1548485295854227
Energy: 0.8824704031158974
Energy: 0.8806438502997586
Energy: 0.8813872088070155
Energy: 1.1480533464415434
Energy: 0.8813872088055799
Energy: 0.8806857307891918
Energy: 0.8818640591266999
Energy: 1.153133896237687
Energy: 0.8818640591266999
Energy: 1.0806147644462205
Energy: 1.0682051050289703
Energy: 1.0775801026379113
Energy: 1.0682051050296884
Energy: 1.0780925006028221
Energy: 0.9821946953838057
Energy: 1.06937754902335
Energy: 0.9821946953845234
Energy: 0.9334228549326596
Energy: 0.9936043585538044
Energy: 0.9548270442504969
Energy: 0.9936043585523687
Energy: 0.8824794115797875
Energy: 0.9767144833760355
Energy: 1.068964707406852
Energy: 0.9767144833760355
Energy: 0.9331726147377168
Energy: 0.9341503056286304
Energy: 1.0168564173368673
Energy: 0.9341503056279126
Energy: 0.9416963758954103
Energy: 0.9335036056997613
Energy: 1.1463641451031896
Energy: 0.9335036056997613
Energy: 1.081240393807544
Energy: 0.9332282860895246
Energy: 0.9472504894462377
Energy: 0.9332282860888068
Energy: 1.0836678838603013
Energy: 0.9324103954383922
Energy: 0.9330814990991975
Energy: 0.9324103954383922
Energy: 1.069439359007331
Energy: 0.9450530306877535
Energy: 0.9370853707127598
Energy: 0.945053030689189
Energy: 0.9880448929374177
Energy: 0.9929300732494996
Energy: 0.9381073276649599
Energy: 0.9929300732502174
Energy: 1.070768928072524
Energy: 0.8825902676981804
Energy: 0.9357958731940083
Energy: 0.8825902676988984
Energy: 1.0721637822770202
Energy: 1.0693291598118964
Energy: 1.2074051756334336
Energy: 1.0693291598348662
Energy: 1.0915250058010537
Energy: 0.8817576192359595
Energy: 0.9367867869036335
Energy: 0.8817576192352417
Energy: 1.1223786781498335
Energy: 0.8836726448564443
Energy: 0.8830026117091391
Energy: 0.8836726448571619
Energy: 1.1590317429395387
Energy: 0.8822704362707376
Energy: 0.881452722781114
Energy: 0.8822704362707376
Energy: 1.1477083358834088
Energy: 0.8813932396699629
Energy: 0.8802135837202939
Energy: 0.8813932396713985
Energy: 1.148038406605823
Energy: 0.882024998861223
Energy: 0.8800747932154597
Energy: 0.8820249988605051
Energy: 1.0781997553751368
Energy: 1.070069878761756
Energy: 1.080295244611239
Energy: 1.0700698787624736
Energy: 1.0699279786655607
Energy: 0.9843481138945609
Energy: 1.0778403387499258
Energy: 0.9843481138959965
Energy: 0.9426876089365352
Energy: 0.9908004298673153
Energy: 0.9324278366639304
Energy: 0.9908004298665976
Energy: 1.070417279902604
Energy: 0.9633704535653966
Energy: 0.8824966365358228
Energy: 0.9633704535653966
Energy: 1.0163353733215197
Energy: 0.925188351668632
Energy: 0.9323372109976902
Energy: 0.9251883516700676
Energy: 1.147447276755533
Energy: 0.9393065164122215
Energy: 0.9401944107589207
Energy: 0.9393065164158106
Energy: 0.9485441704650639
Energy: 0.9240053238255788
Energy: 1.078789739095825
Energy: 0.9240053238241431
Energy: 0.9349617184405492
Energy: 0.9330806660576998
Energy: 1.0659022963072387
Energy: 0.9330806660598532
Energy: 0.9348711754746158
Energy: 0.9266210902489201
Energy: 1.0705167203178128
Energy: 0.9266210902482024
Energy: 0.9400266888644706
Energy: 0.9907889905111785
Energy: 0.9878403078606773
Energy: 0.9907889905104608
Energy: 0.9341672103127774
Energy: 0.8832493695408966
Energy: 0.990615890477846
Energy: 0.8832493695380254
Energy: 1.147099120786826
Energy: 1.0693284202149942
Energy: 1.0704848132913622
Energy: 1.0693284202149942

minimum gb energy = 0.8800747932154597 eV
minimum distance =  2.28360395586583 Angstroms
sigma value = 73


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

Energy: 1.3139128227727563
Energy: 0.9452327161727665
Energy: 1.070743486688463
Energy: 1.0109132424569949
Energy: 0.9471481725771416
Energy: 0.9040320124309107
Energy: 1.0176679380639215
Energy: 0.9040320124297719
Energy: 0.8997430262230957
Energy: 0.9015987764290091
Energy: 1.0553039929388706
Energy: 0.9015987764278702
Energy: 0.8983119871207313
Energy: 0.9010172923688773
Energy: 1.135392744744661
Energy: 0.9010172923677384
Energy: 0.9011477954060767
Energy: 0.9046347668188971
Energy: 1.1336103528104988
Energy: 0.9046347668177583
Energy: 0.9706131089094674
Energy: 0.9050128371054892
Energy: 1.133361786826894
Energy: 0.9050128371043503
Energy: 1.019153166092523
Energy: 1.0498720222777054
Energy: 1.0606855535795983
Energy: 1.0498720222777054
Energy: 1.019061968971994
Energy: 1.0044265322021317
Energy: 1.0502744616156237
Energy: 1.0044265322021317
Energy: 0.9548011784642941
Energy: 1.00615514333767
Energy: 1.052570845205941
Energy: 1.006155143338809
Energy: 0.9543699403619509
Energy: 0.9291432790360744
Energy: 1.0482596147885137
Energy: 0.9291432790372133
Energy: 0.9397141198510003
Energy: 0.8801894733614074
Energy: 1.0497025683556764
Energy: 0.8801894733625464
Energy: 0.935823097835095
Energy: 0.8810770601579394
Energy: 1.1121255338971365
Energy: 0.8810770601590782
Energy: 1.053034293810357
Energy: 0.949594643342132
Energy: 0.9392223848616407
Energy: 0.9495946433455486
Energy: 1.0528817540902997
Energy: 0.9400044149691007
Energy: 0.93676576645676
Energy: 0.9400044149702396
Energy: 1.0699651801626016
Energy: 0.9927491755588149
Energy: 0.9343492481720765
Energy: 0.9927491755588149
Energy: 1.1334113723759394
Energy: 0.9369425850401248
Energy: 0.9343823653069886
Energy: 0.9369425850378471
Energy: 1.1344781768680103
Energy: 0.9981855032820024
Energy: 0.9367410844561466
Energy: 0.9981855032842801
Energy: 1.0217945419577854
Energy: 1.021529438310808
Energy: 1.0203038340319528
Energy: 1.0215294383096691
Energy: 1.015494683598109
Energy: 0.9706605916677997
Energy: 1.019526020454585
Energy: 0.9706605916712163
Energy: 1.033272972800494
Energy: 0.9699563646397285
Energy: 1.010852486782432
Energy: 0.9699563646385896
Energy: 1.0159047438898594
Energy: 0.9723130558628474
Energy: 0.9382004089995507
Energy: 0.9723130558628474
Energy: 1.1318592339679896
Energy: 1.0113438545118323
Energy: 1.0117856033351262
Energy: 1.0113438545118323

minimum gb energy = 0.8801894733614074 eV
minimum distance =  2.27637079049643 Angstroms
sigma value = 7


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

Energy: 1.569094900380207
Energy: 0.9177888330502882
Energy: 1.079507879609056
Energy: 1.0076678323341706
Energy: 0.9505170956356165
Energy: 0.9126410537477023
Energy: 1.1183132744171997
Energy: 0.9126410537421019
Energy: 0.9036649199928546
Energy: 0.9064267765802876
Energy: 1.0096198920124917
Energy: 0.9064267765794823
Energy: 0.9030146513878455
Energy: 0.9066649809936893
Energy: 1.1190529170584085
Energy: 0.9066649809944946
Energy: 0.9051249784797409
Energy: 0.9064251044648849
Energy: 1.088420331674626
Energy: 0.9064251044689113
Energy: 1.0211204298606764
Energy: 0.9078358329993184
Energy: 1.0869160059482346
Energy: 0.9078358329912655
Energy: 1.1164255699609196
Energy: 0.9055312076383021
Energy: 0.9079127106210755
Energy: 0.9055312076383021
Energy: 1.1190856832693572
Energy: 0.909013066089548
Energy: 0.9066460728838114
Energy: 0.9090130660935746
Energy: 1.1171248530937217
Energy: 0.9095421044104398
Energy: 0.9074052419292387
Energy: 0.9095421044096346
Energy: 1.1034600988198937
Energy: 0.9078186894226113
Energy: 0.9044000219525651
Energy: 0.9078186894201955
Energy: 1.1221437315921663
Energy: 0.9711604562227892
Energy: 1.0202719623461545
Energy: 0.9711604562171521
Energy: 1.0028623210655887
Energy: 1.0065799024636
Energy: 1.1157125890594486
Energy: 1.0065799024756792
Energy: 1.0023943755884153
Energy: 0.9669855585578371
Energy: 1.0067091575552825
Energy: 0.966985558560253
Energy: 1.0027006070014206
Energy: 0.9667091266659469
Energy: 0.9155498985934504
Energy: 0.9667091266651415
Energy: 1.00824584710927
Energy: 0.9665711884316636
Energy: 0.9143346722558209
Energy: 0.9665711884324322
Energy: 1.1411815009117767
Energy: 1.0063039202571855
Energy: 1.0032049228194628
Energy: 1.006303920264433
Energy: 1.144799316008718
Energy: 0.9714636822123652
Energy: 1.121093103498059
Energy: 0.9714636822075334
Energy: 0.9045404316594445
Energy: 0.9085576397815154
Energy: 1.010777194000777
Energy: 0.9085576397838947
Energy: 0.9056270260430148
Energy: 0.9094834817207985
Energy: 1.1181581006987766
Energy: 0.9094834817264354
Energy: 0.9070088979558458
Energy: 0.9089439701110894
Energy: 1.1456003706632423
Energy: 0.9089439701183372
Energy: 0.9077897971584898
Energy: 0.9055875052270971
Energy: 1.0913054058353537
Energy: 0.9055875052270971
Energy: 1.1208219730826086
Energy: 0.9078324681234968
Energy: 1.0215432458806766
Energy: 0.9078324681243021
Energy: 1.1169541413264448
Energy: 0.9065538936709217
Energy: 0.9047490195092893
Energy: 0.9065538936717268
Energy: 1.1194401494628123
Energy: 0.9067963607945627
Energy: 0.90382302420338
Energy: 0.9067963607913416
Energy: 1.1014829994790247
Energy: 0.9064106854667372
Energy: 0.903682837913359
Energy: 0.9064106854683478
Energy: 1.0869238769265699
Energy: 0.9118710795566672
Energy: 0.906276947375967
Energy: 0.9118710795470037
Energy: 1.0062994691858411
Energy: 1.0064358193245748
Energy: 1.3352311470467177
Energy: 1.0064358193229643
Energy: 1.0026558280996627
Energy: 0.9676792586308397
Energy: 1.009034938286688
Energy: 0.9676792586356714
Energy: 1.0108181656630262
Energy: 0.9671589518934643
Energy: 1.002813447596338
Energy: 0.9671589518966855
Energy: 1.0069877162894725
Energy: 0.9709932448655727
Energy: 0.9152570780994732
Energy: 0.9709932448712097
Energy: 1.1411414391758086
Energy: 1.0041402270385351
Energy: 1.0031545693823243
Energy: 1.0041402270328983

minimum gb energy = 0.9030146513878455 eV
minimum distance =  2.27383768324946 Angstroms
sigma value = 29


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

Energy: 0.8629076092849329
Energy: 0.8662213841329239
Energy: 0.8852773121159377
Energy: 0.9370381183454267
Energy: 0.872612793808697
Energy: 0.9519438127219196
Energy: 0.8802149925792842
Energy: 0.9519438127194574
Energy: 0.8766210460110697
Energy: 0.9334879833962887
Energy: 0.8651825216559784
Energy: 0.9334879833949173
Energy: 0.8705537603509708
Energy: 0.8790446372128945
Energy: 0.8784144021144854
Energy: 0.8790446372222137
Energy: 0.8764945381408437
Energy: 0.8822950439164848
Energy: 0.8688753207588252
Energy: 0.8822950439225001
Energy: 0.8781131116681853
Energy: 0.9431784246419791
Energy: 0.870307479128933
Energy: 0.9431784246422285
Energy: 0.86536247749555
Energy: 0.9317471937417959
Energy: 0.8764537336747323
Energy: 0.9317471937423568
Energy: 0.8796078620217178
Energy: 0.8840122359750704
Energy: 0.8756979006559331
Energy: 0.8840122359745093
Energy: 0.8722481389974099
Energy: 0.8797719266772867
Energy: 0.878956665389803
Energy: 0.879771926678658

minimum gb energy = 0.8629076092849329 eV
minimum distance =  2.31309706485529 Angstroms
sigma value = 5


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

Energy: 1.243713551059836
Energy: 0.8237314881060015
Energy: 1.0220987942402886
Energy: 0.853881153131479
Energy: 0.8728117339222612
Energy: 0.8527659705268243
Energy: 1.0014714461283576
Energy: 0.8527659705268243
Energy: 1.0012765916568271
Energy: 0.9244007187340845
Energy: 1.0045098203431764
Energy: 0.924400718733324
Energy: 0.8740675452022098
Energy: 0.8503273052660343
Energy: 0.9913641071538601
Energy: 0.8503273052652736
Energy: 0.9888030246140489
Energy: 0.8489660247122044
Energy: 0.998376441434515
Energy: 0.8489660247122044
Energy: 0.8492971104861635
Energy: 0.8500253151042708
Energy: 0.9981686766671283
Energy: 0.8500253151057923
Energy: 0.8489987450500298
Energy: 0.8490908396913833
Energy: 0.992144878601791
Energy: 0.849090839692144
Energy: 0.8571804533157844
Energy: 0.85334961790208
Energy: 1.1040814313510834
Energy: 0.8533496179028407
Energy: 0.8770987000733627
Energy: 0.8761451175044158
Energy: 1.1130960202634845
Energy: 0.8761451175044158
Energy: 1.0561286167244435
Energy: 0.827139753656797
Energy: 0.8329954176284635
Energy: 0.827139753656797
Energy: 0.8764044060111698
Energy: 0.8258493269876789
Energy: 0.827619040618792
Energy: 0.8258493269884397
Energy: 1.1146734908595854
Energy: 0.8247083557111234
Energy: 0.8246088989715357
Energy: 0.8247083557111234
Energy: 1.101299950343892
Energy: 0.8254325152901295
Energy: 0.824579744697769
Energy: 0.8254325152924116
Energy: 0.8759381635656358
Energy: 0.8734391855033871
Energy: 1.0012185016997548
Energy: 0.8734391855041478
Energy: 0.8517607706458659
Energy: 0.8493409813521082
Energy: 0.9991631628637627
Energy: 0.8493409813536295
Energy: 0.8526341846366204
Energy: 0.8515932680866843
Energy: 0.9895407570515392
Energy: 0.851593268087445
Energy: 0.8499669595704218
Energy: 0.8496465987349623
Energy: 0.8721160442380678
Energy: 0.8496465987342361
Energy: 1.0092208016037671
Energy: 0.8539506672326824
Energy: 0.8732541438313131
Energy: 0.8539506672319219
Energy: 1.0062554010448368
Energy: 0.9260559326149663
Energy: 1.0021189127456607
Energy: 0.926055932613445
Energy: 0.9924760153136359
Energy: 0.9293162922734848
Energy: 0.8716821042805724
Energy: 0.9293162922734848
Energy: 0.9983362266323221
Energy: 0.8524148451505866
Energy: 0.990829307447111
Energy: 0.8524148451513474
Energy: 0.9984248735843506
Energy: 0.8490819101608549
Energy: 0.8496221565764758
Energy: 0.8490819101623764
Energy: 0.9914912604157716
Energy: 0.8496439081861681
Energy: 0.8502881337071282
Energy: 0.8496439081854074
Energy: 1.1029444269869033
Energy: 0.8515434901738604
Energy: 0.8538740264733828
Energy: 0.8515434901731344
Energy: 1.1149107920163113
Energy: 0.8735311325000079
Energy: 0.876071345063214
Energy: 0.8735311325000079
Energy: 0.825250325935654
Energy: 0.8283099294196127
Energy: 1.056305889514884
Energy: 0.8283099294203735
Energy: 0.83102955040476
Energy: 0.8271014977174265
Energy: 0.8776168808204297
Energy: 0.827101497718187
Energy: 0.8253619981365947
Energy: 0.8275416545098424
Energy: 0.9068589210543269
Energy: 0.827541654510603
Energy: 0.8240028335787835
Energy: 0.8265780070186308
Energy: 1.1016317160181772
Energy: 0.8265780070193917
Energy: 0.9997938855125914
Energy: 0.8729852415981623
Energy: 0.8750446998749951
Energy: 0.8729852415981623
Energy: 1.0003951701639724
Energy: 0.8502151631785618
Energy: 0.8506109531747152
Energy: 0.8502151631778012
Energy: 0.9898523807277007
Energy: 0.8507003713148616
Energy: 0.8498693875450898
Energy: 0.8507003713156223
Energy: 0.8733388408586754
Energy: 0.849319131535374
Energy: 0.8488046811435664
Energy: 0.8493191315346132

minimum gb energy = 0.8237314881060015 eV
minimum distance =  2.27943802253213 Angstroms
sigma value = 1


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

Energy: 1.3438106479373193
Energy: 0.774647963362632
Energy: 0.9859195281208085
Energy: 0.805109771677627
Energy: 0.9195298689035837
Energy: 0.8071421953571258
Energy: 1.0129112377320828
Energy: 0.8071421953602812
Energy: 1.013659511704611
Energy: 0.9005011473025719
Energy: 1.0159816677098565
Energy: 0.9005011473036235
Energy: 0.8310394899183324
Energy: 0.9013904974179381
Energy: 1.0008043478836592
Energy: 0.9013904974168863
Energy: 0.8046778056810944
Energy: 0.8035147925997419
Energy: 0.996054657737881
Energy: 0.8035147925976384
Energy: 0.802741678404174
Energy: 0.8043108508348121
Energy: 0.9962055723052345
Energy: 0.8043108508327085
Energy: 0.8010931985469213
Energy: 0.8027486349975463
Energy: 1.0021521201295829
Energy: 0.802748634998598
Energy: 0.8110198381645728
Energy: 0.8098343011797269
Energy: 1.1653882768408903
Energy: 0.8098343011828821
Energy: 1.0016318702416744
Energy: 0.8454982665247945
Energy: 1.1651206269471215
Energy: 0.8454982665279499
Energy: 1.0089545922177932
Energy: 0.8105464125375473
Energy: 0.8084610983838215
Energy: 0.8105464125385992
Energy: 1.0028394615430265
Energy: 0.8031546220291373
Energy: 0.8014034051534369
Energy: 0.8031546220301891
Energy: 1.161383572789252
Energy: 0.8141550184799752
Energy: 0.8037390776076233
Energy: 0.8141550184799752
Energy: 1.1612502189574347
Energy: 0.8037064843550132
Energy: 0.803616643319335
Energy: 0.8037064843529097
Energy: 1.0000536344987818
Energy: 0.9015070800158879
Energy: 1.014746227079397
Energy: 0.9015070800179914
Energy: 0.8321563491258376
Energy: 0.8993664010023414
Energy: 1.013663330686926
Energy: 0.8993664010054968
Energy: 0.8311759987773717
Energy: 0.8058071088025457
Energy: 1.0029227884755523
Energy: 0.8058071088025457
Energy: 0.8033402773129343
Energy: 0.8045086227102795
Energy: 1.0104193412353326
Energy: 0.8045086227092276
Energy: 0.8212365418005905
Energy: 0.8092401225812257
Energy: 1.0001100171868378
Energy: 0.8092401225822775
Energy: 0.801236758230254
Energy: 0.8034199778566229
Energy: 1.1653288583187944
Energy: 0.8034199778566229
Energy: 0.8049845898538727
Energy: 0.8163729293634431
Energy: 1.1659599709488568
Energy: 0.8163729293634431
Energy: 1.009943157562832
Energy: 0.8419483491222465
Energy: 1.0034935283441482
Energy: 0.8419483491232982
Energy: 1.0111260251305871
Energy: 0.805782067263221
Energy: 0.8080710716543342
Energy: 0.8057820672653245
Energy: 1.0018543859929687
Energy: 0.8033564488852237
Energy: 0.8031278759892875
Energy: 0.8033564488862516
Energy: 1.1616642360089022
Energy: 0.8039649054797139
Energy: 0.8025537595392418
Energy: 0.8039649054807658

minimum gb energy = 0.774647963362632 eV
minimum distance =  2.2886268871447 Angstroms
sigma value = 17


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

Energy: 1.4516407344213775
Energy: 0.7782876886273253
Energy: 0.9878560929628514
Energy: 0.8024808244785436
Energy: 0.8074048962989323
Energy: 0.7990071937027916
Energy: 0.9294619934599151
Energy: 0.7990071937027916
Energy: 1.033219840586279
Energy: 0.795744618386031
Energy: 0.9567219171561128
Energy: 0.795744618386031
Energy: 1.0404801161798
Energy: 0.8427667207465099
Energy: 0.9202314043820612
Energy: 0.8427667207452098
Energy: 0.9033913423500556
Energy: 0.7772884158665592
Energy: 1.0475288136051515
Energy: 0.7772884158672093
Energy: 0.7782328163124147
Energy: 0.7771915581102439
Energy: 1.0361409208311079
Energy: 0.7771915581089438
Energy: 0.7779726430907317
Energy: 0.7767714781778775
Energy: 0.8144660738419216
Energy: 0.7767714781765774
Energy: 0.7853765539130965
Energy: 0.7790240392724711
Energy: 0.9127500348682285
Energy: 0.7790240392744213
Energy: 1.0455536797517515
Energy: 0.7798977805756447
Energy: 1.0320982904941187
Energy: 0.7798977805762947
Energy: 0.965425554155496
Energy: 0.8458296477156416
Energy: 0.9423837339428426
Energy: 0.8458296477136914
Energy: 1.041486405036629
Energy: 0.7952730858109046
Energy: 0.8108505178038027
Energy: 0.795273085813505
Energy: 1.0453545964411461
Energy: 0.8109828769980728
Energy: 0.9230270134966719
Energy: 0.8109828769967726
Energy: 1.0355892489453993
Energy: 0.7950833104389844
Energy: 0.7955260274422729
Energy: 0.7950833104389844
Energy: 0.931464434648784
Energy: 0.7951904905464936
Energy: 0.7972241929051805
Energy: 0.7951904905458435
Energy: 1.0902338313294409
Energy: 0.7977692056993714
Energy: 0.8047903877774606
Energy: 0.7977692056993714
Energy: 1.0451297366678147
Energy: 0.795665769611639
Energy: 0.798909153407046
Energy: 0.7956657696155396
Energy: 0.7956221082577507
Energy: 0.9029489115036168
Energy: 0.9754625573213761
Energy: 0.9029489115023167
Energy: 0.7950929906352973
Energy: 0.7949738608446835
Energy: 1.0462331671077145
Energy: 0.7949738608440333
Energy: 0.8100372275026584
Energy: 0.8013975374631397
Energy: 0.9240585369240051
Energy: 0.8013975374637898
Energy: 0.7972632887477549
Energy: 0.7951579891227534
Energy: 0.9159681387931999
Energy: 0.7951579891234034
Energy: 0.9472239460462446
Energy: 0.7975558395271107
Energy: 0.795985276909696
Energy: 0.7975558395258107
Energy: 0.9560410706614328
Energy: 0.8012345848869175
Energy: 1.0845324708707884
Energy: 0.8012345848882175
Energy: 0.920528257111949
Energy: 0.8406819385345223
Energy: 1.092153525220329
Energy: 0.8406819385319219
Energy: 1.049622476875997
Energy: 0.7783989030424426
Energy: 0.9024658339361596
Energy: 0.7783989030430928
Energy: 1.044748997337067
Energy: 0.7770113574070896
Energy: 0.7773090358070215
Energy: 0.7770113574090399
Energy: 0.9219108431681903
Energy: 0.7777123115556843
Energy: 0.7805744304334609
Energy: 0.7777123115537341
Energy: 0.9151312639464521
Energy: 0.7803472041187469
Energy: 0.7862861642065132
Energy: 0.7803472041200471
Energy: 0.923384283212064
Energy: 0.7797156666814113
Energy: 1.049559428100699
Energy: 0.779715666678811
Energy: 0.9294414649202837
Energy: 0.8446106352258715
Energy: 0.956581735814221
Energy: 0.8446106352278218
Energy: 0.8120176451688196
Energy: 0.7950576725179521
Energy: 1.039747357420536
Energy: 0.7950576725140517
Energy: 0.9211308907574982
Energy: 0.7956704693910845
Energy: 1.0351246672718089
Energy: 0.7956704693917346
Energy: 0.7949942935888865
Energy: 0.795265649677254
Energy: 1.035304178403522
Energy: 0.7952656496759538
Energy: 0.7949840475390978
Energy: 0.7944820129064943
Energy: 0.932444265050235
Energy: 0.7944820129071444
Energy: 0.8030035136111943
Energy: 0.7996165375939541
Energy: 1.090097368613007
Energy: 0.7996165375939541
Energy: 0.9372646969857634
Energy: 0.8197735913799615
Energy: 1.0449440404814083
Energy: 0.8197735913812617
Energy: 1.2875388189808104
Energy: 0.8066050713642607
Energy: 0.7964807592409777
Energy: 0.8066050713629604
Energy: 1.0426970388660082
Energy: 0.7949256749591024
Energy: 0.7955435207542341
Energy: 0.7949256749584523
Energy: 1.0325573239212156
Energy: 0.8015139537607929
Energy: 0.796771669041354
Energy: 0.8015139537601428

minimum gb energy = 0.7767714781765774 eV
minimum distance =  2.28970230555113 Angstroms
sigma value = 89


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

Energy: 1.5606526031656391
Energy: 0.7510804372991343
Energy: 0.7274217890685619
Energy: 0.727765909609082
Energy: 0.7271673374040258
Energy: 0.8005434181939772
Energy: 0.7271651324130372
Energy: 0.8005434181939772
Energy: 0.7202029898097542
Energy: 0.8005230211291333
Energy: 0.7439570492466657
Energy: 0.8005230211291333
Energy: 0.7208779599160443
Energy: 0.8009834773001054
Energy: 0.7245971278292581
Energy: 0.8009834773001054
Energy: 0.7239326419767654
Energy: 0.7253820212857943
Energy: 0.7385955531521317
Energy: 0.7253820212840933
Energy: 0.7241790688814137
Energy: 0.7244255358073656
Energy: 0.7378820690030691
Energy: 0.7244255358073656
Energy: 0.7238556923848659
Energy: 0.7233576377280323
Energy: 0.72623425455684
Energy: 0.7233576377280323
Energy: 0.7265257892021582
Energy: 0.7284296131094294
Energy: 0.7185058506916381
Energy: 0.7284296131111304
Energy: 0.7288040645523746
Energy: 0.7270858138896938
Energy: 0.7188932033338143
Energy: 0.7270858138896938
Energy: 0.7423244253363663
Energy: 0.8019957584888157
Energy: 0.7275272809917032
Energy: 0.8019957584888157
Energy: 0.7260544221570037
Energy: 0.8027653173545454
Energy: 0.717992125038579
Energy: 0.8027653173562461
Energy: 0.7372360974100032
Energy: 0.7242222895491738
Energy: 0.7266037798877774
Energy: 0.724222289552537
Energy: 0.7400966092687296
Energy: 0.7265092854645524
Energy: 0.7276835745863012
Energy: 0.7265092854645524
Energy: 0.7256251591336015
Energy: 0.722904034030474
Energy: 0.7224806209254454
Energy: 0.722904034030474
Energy: 0.7184129086870875
Energy: 0.7256190849403354
Energy: 0.7262634254612682
Energy: 0.7256190849403354

minimum gb energy = 0.717992125038579 eV
minimum distance =  2.31035008526873 Angstroms
sigma value = 13


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

Energy: 1.364769988444191
Energy: 0.6821866148187594
Energy: 0.9054186400046891
Energy: 0.6887536582783256
Energy: 0.7591209581013667
Energy: 0.6868670551610784
Energy: 0.8357008628295187
Energy: 0.6868670551625043
Energy: 0.6906391270498808
Energy: 0.6853851973742742
Energy: 0.8477881282029437
Energy: 0.6853851973792647
Energy: 1.0005764165052622
Energy: 0.6888898762808559
Energy: 0.8261993431872264
Energy: 0.6888898762865595
Energy: 0.8312530464570882
Energy: 0.6873115420139198
Energy: 0.8281636356638064
Energy: 0.6873115420153456
Energy: 0.8290429335753522
Energy: 0.686406334184161
Energy: 0.8243118908819764
Energy: 0.6864063341948551
Energy: 0.8279701078443535
Energy: 0.6857473878176559
Energy: 0.8244700810075778
Energy: 0.68574738781623
Energy: 0.8290095145081207
Energy: 0.6847854592703801
Energy: 0.8453477552004997
Energy: 0.6847854592675283
Energy: 0.6839830302194231
Energy: 0.688464496873967
Energy: 0.8309925069475763
Energy: 0.6884644968818093
Energy: 0.6842701527670327
Energy: 0.6853365696967176
Energy: 0.8290914706409966
Energy: 0.6853365696952917
Energy: 0.6868248530499532
Energy: 0.684946248412052
Energy: 1.3649763536045985
Energy: 0.6849462484099132
Energy: 0.8249599149267473
Energy: 0.6847836592685477
Energy: 0.8289983897983604
Energy: 0.6847836592721125
Energy: 0.8294646386393364
Energy: 0.7267256717737209
Energy: 0.8235646997308484
Energy: 0.726725671772295
Energy: 0.8265393818807584
Energy: 0.7289071852771907
Energy: 1.0002430949415306
Energy: 0.728907185285033
Energy: 0.8347507775184976
Energy: 0.688134346930862
Energy: 0.8275120320008504
Energy: 0.6881343469322877
Energy: 0.8342382603182322
Energy: 0.6867415672743664
Energy: 0.6877459359197149
Energy: 0.6867415672829218
Energy: 0.8240988975386475
Energy: 0.6855911940852649
Energy: 0.6889824143249799
Energy: 0.6855911940824132
Energy: 0.6957187808722906
Energy: 0.6848351433852283
Energy: 0.6870588308862291
Energy: 0.6848351433795249
Energy: 0.9528218503620324
Energy: 0.6884128803587378
Energy: 0.8236985982670296
Energy: 0.6884128803650895
Energy: 0.8281129342689888
Energy: 0.6843686616753548
Energy: 0.8511674128761825
Energy: 0.6843686616760678
Energy: 1.013152742740771
Energy: 0.6858813009026908
Energy: 0.823598455448857
Energy: 0.6858813008998391
Energy: 0.8280785899138178
Energy: 0.7397377722949152
Energy: 0.8239777991898419
Energy: 0.7397377722949152
Energy: 0.8311877722844135
Energy: 0.688299276867273
Energy: 0.8276369855127971
Energy: 0.6882992768622825
Energy: 0.6908261290622488
Energy: 0.6842854662736886
Energy: 0.8267368311909876
Energy: 0.6842854662758274
Energy: 0.8254001253822945
Energy: 0.6859647441710647
Energy: 0.8347281865046255
Energy: 0.685964744165361
Energy: 0.6866087941892672
Energy: 0.6845818940675841
Energy: 0.8325967231973008
Energy: 0.6845818940647322
Energy: 0.684864244478716
Energy: 0.6843025711787694
Energy: 0.8265392136821754
Energy: 0.684302571183047
Energy: 0.6851948043393207
Energy: 0.688181894393749
Energy: 0.6967049857103818
Energy: 0.6881818943958878
Energy: 0.8231413645218428
Energy: 0.6844942144198192
Energy: 0.9539138069230789
Energy: 0.6844942144183932
Energy: 0.8514587222693774
Energy: 0.7296379062721055
Energy: 0.8232507751451491
Energy: 0.7296379062692537
Energy: 0.9658472704445112
Energy: 0.7261585820451752
Energy: 1.014368440949649
Energy: 0.7261585820408977
Energy: 0.8338123945702985
Energy: 0.686068041271285
Energy: 0.8232231291377603
Energy: 0.6860680412777014
Energy: 0.8356979966451203
Energy: 0.6889126198325985
Energy: 0.6929216008837714
Energy: 0.6889126198318856
Energy: 0.966396983234821
Energy: 0.6843733526057716
Energy: 0.6850098122670153
Energy: 0.6843733526036329
Energy: 0.9525859471759399
Energy: 0.6859281852716705
Energy: 0.6898204972429869
Energy: 0.6859281852695316

minimum gb energy = 0.6821866148187594 eV
minimum distance =  2.30087528611386 Angstroms
sigma value = 37


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

Energy: 1.1792566703695961
Energy: 0.6252797423503341
Energy: 0.6252506135302064
Energy: 0.6260142652752126
Energy: 0.6203852817455928
Energy: 0.6244957699231493
Energy: 0.8568763780637065
Energy: 0.6244957699243758
Energy: 1.087404001852654
Energy: 0.7024663584366798
Energy: 0.8634379495241693
Energy: 0.7024663584366798
Energy: 1.0866584436428166
Energy: 0.6250650280072375
Energy: 0.860919933374535
Energy: 0.6250650280060109
Energy: 0.6338485397674772
Energy: 0.7046629937459318
Energy: 0.8595904950644315
Energy: 0.7046629937447052
Energy: 0.7589551860444392
Energy: 0.6246851128998915
Energy: 0.6283680643723187
Energy: 0.6246851128974383
Energy: 0.6246023865840914
Energy: 0.6231650705627796
Energy: 0.8600600671952929
Energy: 0.6231650705627796
Energy: 0.6325003255945697
Energy: 0.6238073367272913
Energy: 0.8543562475887051
Energy: 0.6238073367272913
Energy: 0.6243519744439028
Energy: 0.6273425038463125
Energy: 0.8527694100870458
Energy: 0.6273425038463125
Energy: 0.6227431477038131
Energy: 0.6244205453590267
Energy: 0.7566467557230488
Energy: 0.6244205453590267
Energy: 0.6252506135302064
Energy: 0.6260142661052198
Energy: 1.1792566703683696
Energy: 0.6252797423491075
Energy: 0.8568763780649331
Energy: 0.6244957699231493
Energy: 0.7561818737939402
Energy: 0.6244957699231493
Energy: 0.8634379495241693
Energy: 0.7024663584342267
Energy: 1.087404001852654
Energy: 0.7024663584354532
Energy: 0.8609199333757616
Energy: 0.6250650280047844
Energy: 1.0866584436440432
Energy: 0.6250650280060109
Energy: 0.8595904950656582
Energy: 0.7046629937459318
Energy: 0.6338485397895277
Energy: 0.7046629937447052
Energy: 0.7543369624316589
Energy: 0.6246851128998915
Energy: 0.6209556484185006
Energy: 0.6246851128974383
Energy: 0.8600600672001992
Energy: 0.6231650705640063
Energy: 0.6246023865816382
Energy: 0.623165070561553
Energy: 0.854356247586252
Energy: 0.6238073367272913
Energy: 0.6325003255945697
Energy: 0.6238073367260647
Energy: 0.8527694101949294
Energy: 0.6273425038303948
Energy: 0.6243519744439028
Energy: 0.6273425038291682
Energy: 0.6203854279728966
Energy: 0.6244205453578001
Energy: 0.6227431477050397
Energy: 0.6244205453565735

minimum gb energy = 0.6203852817455928 eV
minimum distance =  2.31356475650644 Angstroms
sigma value = 25


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

Energy: 1.4322904049786498
Energy: 0.5627314703216925
Energy: 0.7986364101002178
Energy: 0.5589423809307977
Energy: 0.9416744629644743
Energy: 0.5567014423790593
Energy: 0.7486529378726449
Energy: 0.5567014423790593
Energy: 1.267871964395324
Energy: 0.5555763077022884
Energy: 0.7516245789820831
Energy: 0.5555763077022884
Energy: 0.9731808490981707
Energy: 0.5619231247682741
Energy: 0.7479437533442357
Energy: 0.561923124769232
Energy: 0.9483539211215992
Energy: 0.62124603468028
Energy: 0.9504315353818371
Energy: 0.6212460346812378
Energy: 0.9407490508145934
Energy: 0.6182518879668228
Energy: 1.1069710254755516
Energy: 0.6182518879677806
Energy: 0.9441268640974405
Energy: 0.6209615092891216
Energy: 0.9483295984338763
Energy: 0.6209615092900796
Energy: 0.7478029053677524
Energy: 0.5613062562842098
Energy: 1.101396983074334
Energy: 0.5613062562861254
Energy: 0.751550958576123
Energy: 0.5557963404652534
Energy: 1.1047147823636183
Energy: 0.5557963404652534
Energy: 0.7524095225014432
Energy: 0.5564618571682147
Energy: 1.1053803095517625
Energy: 0.5564618571682147
Energy: 0.5566671243603287
Energy: 0.5605068615417712
Energy: 1.2031974923526678
Energy: 0.560506861542729
Energy: 0.5592973443328895
Energy: 0.5562940249953126
Energy: 0.9508637610144406
Energy: 0.5562940249962703
Energy: 0.5574919200392778
Energy: 0.5553631852873662
Energy: 0.9397149421253895
Energy: 0.5553631852864084
Energy: 0.5687152103244004
Energy: 0.5629136254086784
Energy: 0.9403510100553508
Energy: 0.5629136254096361
Energy: 0.7519416661073693
Energy: 0.5553451254434899
Energy: 0.9488616057388902
Energy: 0.5553451254434899
Energy: 0.7524455817710819
Energy: 0.5568652225089822
Energy: 0.944439463695128
Energy: 0.5568652225089822
Energy: 0.9485425769474929
Energy: 0.5580518422032694
Energy: 0.9408778630290882
Energy: 0.5580518422032694
Energy: 0.7642821917227636
Energy: 0.6223697804780228
Energy: 0.9483172405751098
Energy: 0.6223697804770649
Energy: 1.1039551497902744
Energy: 0.6189822366103216
Energy: 0.9434910379995398
Energy: 0.6189822366103216
Energy: 0.9497415317791024
Energy: 0.61875747293275
Energy: 0.9412034289727833
Energy: 0.6187574729308342
Energy: 1.2039092297009049
Energy: 0.5597265961406084
Energy: 0.7540666495539339
Energy: 0.5597265961415663
Energy: 0.9505235362454701
Energy: 0.5547389854625229
Energy: 0.5561614174433365
Energy: 0.5547389854615652
Energy: 1.101675726878333
Energy: 0.5586604405980186
Energy: 0.7477565845973981
Energy: 0.5586604405980186
Energy: 1.1003136673809626
Energy: 0.5575910421561292
Energy: 0.5627651515967772
Energy: 0.557591042157087
Energy: 0.9488921169331398
Energy: 0.555078862881976
Energy: 0.5556656353743991
Energy: 0.5550788628838915
Energy: 1.2694080503503655
Energy: 0.5571089825511205
Energy: 0.5609548461981989
Energy: 0.5571089825520783

minimum gb energy = 0.5547389854615652 eV
minimum distance =  2.31456926245902 Angstroms
sigma value = 41


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

Energy: 1.5924433388063302
Energy: 0.5157607058319328
Energy: 0.7574093448957868
Energy: 0.5075665335898794
Energy: 1.1121792326561588
Energy: 0.5068633635466115
Energy: 0.666821452685263
Energy: 0.5068633635450411
Energy: 1.119983086222725
Energy: 0.5053342911220048
Energy: 0.6718357275959413
Energy: 0.5053342911212195
Energy: 1.1222650497702527
Energy: 0.5084339263309673
Energy: 0.8400854276775845
Energy: 0.5084339263309673
Energy: 1.1200175639689387
Energy: 0.504508846901481
Energy: 0.9762476784428765
Energy: 0.5045088469006959
Energy: 1.114928288500639
Energy: 0.5063129847146778
Energy: 0.9729806386471492
Energy: 0.5063129847178187
Energy: 1.1193947555480388
Energy: 0.5601094394598837
Energy: 1.1183354237812013
Energy: 0.560109439457528
Energy: 0.979745557622261
Energy: 0.5589702156452089
Energy: 0.9769851912288052
Energy: 0.558970215645994
Energy: 0.831214591839321
Energy: 0.557957600053962
Energy: 1.2524128170858913
Energy: 0.557957600053962
Energy: 0.8297443363518799
Energy: 0.5048259127688328
Energy: 1.1199963799997843
Energy: 0.5048259127688328
Energy: 0.6765761631224873
Energy: 0.5107192625974977
Energy: 1.3981631273001363
Energy: 0.5107192625967124
Energy: 0.6697710014119578
Energy: 0.5043484934103718
Energy: 1.1199852956331628
Energy: 0.5043484934111568
Energy: 0.66808711267743
Energy: 0.5077335556024738
Energy: 1.1202010317566935
Energy: 0.5077335556024738
Energy: 0.5140995149916989
Energy: 0.508598236106993
Energy: 1.1168878398635211
Energy: 0.5085982361046373
Energy: 0.5071937087909678
Energy: 0.5064953868004304
Energy: 1.1207852952194794
Energy: 0.5064953868004304
Energy: 0.5109523647488383
Energy: 0.5068654207817939
Energy: 1.1172328308903832
Energy: 0.5068654207817939
Energy: 0.6738650701327884
Energy: 0.5094784751163932
Energy: 1.1150381649105523
Energy: 0.5094784751148226
Energy: 0.6746791812019846
Energy: 0.5042199113480834
Energy: 1.1195924368284693
Energy: 0.504219911346513
Energy: 0.6682940077768593
Energy: 0.5084981297305433
Energy: 1.1167114652748917
Energy: 0.5084981297305433
Energy: 0.9727800113624475
Energy: 0.5071422948971573
Energy: 1.1151610029530823
Energy: 0.507142294896372
Energy: 1.0250903507538367
Energy: 0.5574594004188008
Energy: 1.1185551916657526
Energy: 0.5574594004855105
Energy: 0.9734402551199435
Energy: 0.5100841968724754
Energy: 1.120633337779122
Energy: 0.5100841968732606
Energy: 1.253635914580122
Energy: 0.5568036041909881
Energy: 1.1130144291647186
Energy: 0.5568036041917734
Energy: 0.9780987620417335
Energy: 0.5095579428772828
Energy: 0.9728109286032631
Energy: 0.5095579428780681
Energy: 1.1177846277802004
Energy: 0.5586306906810141
Energy: 0.8421988295164397
Energy: 0.5586306906817993
Energy: 1.2533362318539965
Energy: 0.5068842743075932
Energy: 0.9731959869928657
Energy: 0.5068842743091637
Energy: 1.258552275324817
Energy: 0.509041146309135
Energy: 0.6692138877987625
Energy: 0.5090411463107056
Energy: 1.1193419323450977
Energy: 0.5046064430865407
Energy: 0.6735315542375585
Energy: 0.5046064430904669
Energy: 1.2561106476630952
Energy: 0.5087973207651361
Energy: 0.672924723200574
Energy: 0.5087973207627803
Energy: 1.2530383323857022
Energy: 0.5073531717991305
Energy: 0.507863345222715
Energy: 0.5073531717999158
Energy: 1.1201975697973976
Energy: 0.5058859514251539
Energy: 0.5066451572680871
Energy: 0.5058859514267244
Energy: 1.118349239414258
Energy: 0.5070000238991664
Energy: 0.5149471479312195
Energy: 0.5070000238999517

minimum gb energy = 0.504219911346513 eV
minimum distance =  2.31862622494728 Angstroms
sigma value = 15


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

Energy: 1.3688891016047866
Energy: 0.4766918172576319
Energy: 0.7245834083371926
Energy: 0.47164410719156424
Energy: 1.2455794235146873
Energy: 0.4686901757581317
Energy: 0.6061954013323282
Energy: 0.4686901757568013
Energy: 1.4755540071333413
Energy: 0.4684946932645359
Energy: 0.6100481041543082
Energy: 0.4684946932645359
Energy: 1.2466552795481716
Energy: 0.4713408467709392
Energy: 0.7584365289173067
Energy: 0.4713408467709392
Energy: 1.2415929493596733
Energy: 0.4659006508011123
Energy: 0.874571668426462
Energy: 0.4659006508004471
Energy: 1.2406016290074724
Energy: 0.46660840402898046
Energy: 0.8701139265352886
Energy: 0.4666084040323065
Energy: 0.9968120128942405
Energy: 0.47267517077585963
Energy: 1.116123256354509
Energy: 0.47267517077719
Energy: 1.1197514710592091
Energy: 0.5131535515410389
Energy: 0.8755643360143689
Energy: 0.5131535515277348
Energy: 0.9956956600089046
Energy: 0.5106048858167698
Energy: 1.115005151907683
Energy: 0.510604885817435
Energy: 0.9946002538498272
Energy: 0.6180640016355942
Energy: 1.2444055194060581
Energy: 0.6180640016362594
Energy: 0.8757390770976577
Energy: 0.4708348724746083
Energy: 1.2101536820042196
Energy: 0.4708348724759387
Energy: 0.7518983199570919
Energy: 0.46574828995034656
Energy: 1.3545450726247465
Energy: 0.4657482899516769
Energy: 0.8707930470967342
Energy: 0.46636158473457273
Energy: 1.356479486130579
Energy: 0.4663615847352379
Energy: 0.6136612522757462
Energy: 0.4712484817552812
Energy: 1.125513893094918
Energy: 0.47124848175195516
Energy: 0.6090882372517131
Energy: 0.4669974382525879
Energy: 1.2412328759785627
Energy: 0.46699743825524875
Energy: 0.6113870079570822
Energy: 0.47041861835864507
Energy: 1.3567269946455223
Energy: 0.47041861836130583
Energy: 0.4747059308009011
Energy: 0.4702903418122781
Energy: 1.3625498862766718
Energy: 0.4702903418096172
Energy: 0.4661238737663599
Energy: 0.4665955330263006
Energy: 1.2402249683200472
Energy: 0.4665955330256354
Energy: 0.472200030812589
Energy: 0.46979822770700025
Energy: 1.2425431894639165
Energy: 0.46979822770700025
Energy: 0.6123869563827686
Energy: 0.4715746113145368
Energy: 1.24239779067619
Energy: 0.4715746113145368
Energy: 0.6076084299085562
Energy: 0.46688301356257134
Energy: 1.240478801898316
Energy: 0.4668830135605757
Energy: 0.6137554259874917
Energy: 0.4705191934490622
Energy: 1.2464807158233204
Energy: 0.47051919344839693
Energy: 0.8697739455439045
Energy: 0.46673178427208345
Energy: 1.2375078559786918
Energy: 0.466731784270753
Energy: 0.8777148839942275
Energy: 0.4658830327582125
Energy: 1.2414634164255804
Energy: 0.4658830327562169
Energy: 0.8767868395491552
Energy: 0.4703224589355012
Energy: 1.0489811140061553
Energy: 0.47032245893683156
Energy: 1.1184108763304144
Energy: 0.6211482613620029
Energy: 1.2444429870175988
Energy: 0.6211482613626681
Energy: 0.8722940278842846
Energy: 0.5112496202106919
Energy: 1.1160126355828304
Energy: 0.5112496202133527
Energy: 1.1207585335283567
Energy: 0.5138470708766474
Energy: 1.0043309303741597
Energy: 0.5138470708779779
Energy: 1.1207136245343545
Energy: 0.4693165929328019
Energy: 1.1165946996219587
Energy: 0.46931659293479755
Energy: 1.117009830094656
Energy: 0.4667960976504913
Energy: 0.8707955365544424
Energy: 0.4667960976498261
Energy: 1.2403576126612756
Energy: 0.4658926813771041
Energy: 0.7517124831481519
Energy: 0.4658926813784345
Energy: 1.123929993484861
Energy: 0.47209355385243046
Energy: 0.8767029921074055
Energy: 0.47209355385509133
Energy: 1.357074530674937
Energy: 0.4686491159572396
Energy: 0.6115131298488669
Energy: 0.4686491159592353
Energy: 1.2417420220673803
Energy: 0.46838908084865843
Energy: 0.6101161515115516
Energy: 0.46838908084865843
Energy: 1.2360534803233165
Energy: 0.4698278087973208
Energy: 0.4754426541235336
Energy: 0.4698278087973208
Energy: 1.2429484080452178
Energy: 0.4700160278992646
Energy: 0.4681067034450133
Energy: 0.4700160278985993
Energy: 1.2501445265227098
Energy: 0.47024142650437417
Energy: 0.46945585460854583
Energy: 0.47024142650437417

minimum gb energy = 0.46574828995034656 eV
minimum distance =  2.31212790928889 Angstroms
sigma value = 85


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

Energy: 1.471513793434715
Energy: 0.4390775458819849
Energy: 0.42219394050985276
Energy: 0.42328597362622905
Energy: 1.3178501940568075
Energy: 0.4218322673670122
Energy: 0.5438185398005393
Energy: 0.4218322673675891
Energy: 1.3102277321763642
Energy: 0.42132980158736777
Energy: 0.5475597090568451
Energy: 0.42132980158794464
Energy: 1.0936052668439311
Energy: 0.42371825240117816
Energy: 0.7752669163407356
Energy: 0.42371825240117816
Energy: 1.3164564015818931
Energy: 0.42004654021842547
Energy: 0.7785299246854267
Energy: 0.4200465402172716
Energy: 1.0981223092791745
Energy: 0.42083644915323526
Energy: 0.7752800434742098
Energy: 0.4208364491538122
Energy: 1.0952894287035673
Energy: 0.4211870329695475
Energy: 0.9951000840803559
Energy: 0.4211870329695475
Energy: 1.2057822562884284
Energy: 0.4207647543416073
Energy: 0.7758217841395367
Energy: 0.4207647543381457
Energy: 1.0973436178370983
Energy: 0.42106982840294016
Energy: 0.9904424781524975
Energy: 0.4210698284017863
Energy: 1.0970918651576793
Energy: 0.49401127628181307
Energy: 1.203972257694491
Energy: 0.4940112762835439
Energy: 0.9913244314716803
Energy: 0.4212070048136353
Energy: 1.0594638120032591
Energy: 0.42120700481017365
Energy: 0.881874435282116
Energy: 0.4208893930048532
Energy: 1.2041166718640148
Energy: 0.4208893930019685
Energy: 0.9905614134753421
Energy: 0.4203013308597998
Energy: 1.2041087963874668
Energy: 0.4203013308597998
Energy: 0.7754932252748826
Energy: 0.4219639306115695
Energy: 0.9873681482502201
Energy: 0.4219639306104156
Energy: 0.6639002196433094
Energy: 0.4200617101240681
Energy: 1.3153836454043173
Energy: 0.4200617101240681
Energy: 0.7776587160580714
Energy: 0.4220485541208842
Energy: 1.2049813932786555
Energy: 0.4220485541197303
Energy: 0.5448108075286529
Energy: 0.42503518519602534
Energy: 1.201331521410474
Energy: 0.42503518519602534
Energy: 0.5428187265789821
Energy: 0.4199913465472844
Energy: 1.3150256519922172
Energy: 0.41999134654786136
Energy: 0.5436892043058106
Energy: 0.42043995910711746
Energy: 1.3086591393627784
Energy: 0.42043995910942517
Energy: 0.4231022358610151
Energy: 0.42431631889208105
Energy: 1.3086938295837314
Energy: 0.42431631889208105
Energy: 0.4211402442460217
Energy: 0.42031479469226296
Energy: 1.3160931513525873
Energy: 0.42031479469226296
Energy: 0.42408928807668517
Energy: 0.4216945139164496
Energy: 1.3063130337469688
Energy: 0.4216945139158726
Energy: 0.5469713281158576
Energy: 0.42245124137604606
Energy: 1.309281081678623
Energy: 0.42245124137604606
Energy: 0.5448406224591106
Energy: 0.4200870486435813
Energy: 1.3174336781857265
Energy: 0.4200870486435813
Energy: 0.5436700581269918
Energy: 0.4204455177456511
Energy: 1.0938564466263867
Energy: 0.4204455177456511
Energy: 0.7749513604068794
Energy: 0.420518477451926
Energy: 1.3107554707686442
Energy: 0.4205184774525029
Energy: 0.7770376256497512
Energy: 0.4205409163061477
Energy: 1.3103538850344911
Energy: 0.4205409163073016
Energy: 0.7754056555679428
Energy: 0.4227376321935339
Energy: 1.0956489067481006
Energy: 0.4227376321854568
Energy: 0.9908412526385643
Energy: 0.421070485987764
Energy: 1.3186123460650865
Energy: 0.421070485987764
Energy: 0.9922123628295904
Energy: 0.4211092443955451
Energy: 1.0979625921552392
Energy: 0.42110924439439124
Energy: 1.1050295528365888
Energy: 0.49246867293532653
Energy: 0.8799975116078963
Energy: 0.4924686729324419
Energy: 0.9893646226237058
Energy: 0.4927461144648465
Energy: 1.1044577852257882
Energy: 0.4927461144642696
Energy: 1.2060954292212973
Energy: 0.4209673832451741
Energy: 0.8825487040025048
Energy: 0.42096738323132765
Energy: 1.3156779468146036
Energy: 0.42096852211782726
Energy: 0.8840952994007052
Energy: 0.420968522120135
Energy: 1.0564525710398034
Energy: 0.42363189647305194
Energy: 0.7753859470604089
Energy: 0.423631896472475
Energy: 1.3153076086250484
Energy: 0.42022181249435575
Energy: 0.7783096934352404
Energy: 0.4202218124937788
Energy: 1.311662350938387
Energy: 0.4206484863406202
Energy: 0.7750811779137291
Energy: 0.42064848634004315
Energy: 1.2013960726057888
Energy: 0.42022685352112377
Energy: 0.5439765228218206
Energy: 0.42022685352054684
Energy: 1.3169229245107732
Energy: 0.42001007276824753
Energy: 0.5449873240119836
Energy: 0.42001007276824753
Energy: 1.3090087026499544
Energy: 0.422918984283659
Energy: 0.5478560205559391
Energy: 0.4229189842842359
Energy: 1.1998542840315862
Energy: 0.42448329970996057
Energy: 0.42029630613865365
Energy: 0.42448329971111437
Energy: 1.3156315899752646
Energy: 0.42017627716820316
Energy: 0.4206133442627438
Energy: 0.42017627716820316
Energy: 1.306108850081425
Energy: 0.42032350524252826
Energy: 0.4228852250004656
Energy: 0.42032350524252826

minimum gb energy = 0.4199913465472844 eV
minimum distance =  2.31724122979541 Angstroms
sigma value = 113


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

Energy: 0.015447302531844861
Energy: 0.01711907205016479
Energy: 1.1908451338809294
Energy: 0.37828723306749024
Energy: 0.016496800100883252
Energy: 0.10388484235332043
Energy: 0.9059985106588584
Energy: 0.10388484235332043
Energy: 0.01653116848176107
Energy: 0.10263616717829145
Energy: 0.9048043344915843
Energy: 0.10263616717917849
Energy: 0.017844830532338235
Energy: 0.10460979838318635
Energy: 0.9025517125052804
Energy: 0.10460979838362988
Energy: 0.9053640131725098
Energy: 0.1037863353262536
Energy: 0.9054313903037005
Energy: 0.1037863353258347
Energy: 0.01632378899789132
Energy: 0.10234231141670863
Energy: 0.9044801515669091
Energy: 0.10234231141540272

minimum gb energy = 0.015447302531844861 eV
minimum distance =  2.52288034821404 Angstroms
sigma value = 1