Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ag__MO_861893969202_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.075408697128296
cohesive_energy=2.975284478183433
mass=107.8682
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=[1.1792436592164838e-19, 1.7070711382279797e-19, 2.1251110655712598e-19, 2.4773656203224998e-19, 2.78040130887726e-19, 3.0450648670477197e-19, 3.27887050324734e-19, 3.48611205085524e-19, 3.67033032023256e-19, 3.83421696812442e-19, 3.98102441309784e-19, 4.1124189188521797e-19, 4.2288330730786196e-19, 4.3314524864863196e-19, 4.42127050858836e-19, 4.49913629300076e-19, 4.56589899333954e-19, 4.622183458491959e-19, 4.66847034144822e-19, 4.70528836049754e-19, 4.733086125097439e-19, 4.75228020117276e-19, 4.76322306758298e-19, 4.7665555949817e-19, 4.762405957499639e-19, 4.748915630241359e-19, 4.724290175376779e-19, 4.68639869798268e-19, 4.63264567191198e-19, 4.55990685272838e-19, 4.464849713033159e-19, 4.342635679391639e-19, 4.1873366982580196e-19, 3.9918391053773397e-19, 3.74728286396358e-19, 3.44341404355914e-19, 3.06533240146782e-19, 2.59490129819274e-19, 2.0092416514003798e-19, 1.277699015552418e-19, 3.5900933144018397e-20, -7.97858328905856e-20, -2.2704124645087195e-19, -4.1634802881777596e-19, -6.62503242512268e-19, -9.86958430486974e-19, -1.4224188243717359e-18, -2.0190629941668e-18, -2.8582510715233197e-18, -4.07763566412804e-18, -5.926050825007499e-18, -8.88797874651696e-18, -1.400973690125646e-17, -2.3913287350766998e-17]
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: 0.009028255198893406
Energy: 0.00930491624519967
Energy: 0.9201764733297768
Energy: 0.00930491624519967
Energy: 0.00930491624519967
Energy: 1.0612609932495691
Energy: 0.00930491624519967
Energy: 1.0612609932457036
Energy: 0.9201764733312162
Energy: 0.00930491624519967
Energy: 0.009028255198893406
Energy: 0.00930491624519967
Energy: 0.00930491624519967
Energy: 1.0612609932510086
Energy: 0.00930491624519967
Energy: 1.0612609932481163

minimum gb energy = 0.009028255198893406 eV
minimum distance =  2.8090956778047 Angstroms
sigma value = 1


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

Energy: 1.6880093947096158
Energy: 0.9743169472244803
Energy: 1.0369469042079968
Energy: 0.9743169472238816
Energy: 1.0755980250602173
Energy: 1.0717080590636359
Energy: 1.024657714884196
Energy: 1.0717080590618404
Energy: 1.0365480230174229
Energy: 1.0351348827013436
Energy: 1.0250970155141008
Energy: 1.035134882701942
Energy: 1.0236870754745755
Energy: 1.0249955119138578
Energy: 1.0246119400794322
Energy: 1.0249955119144565
Energy: 1.0875926755463003
Energy: 1.0275380489578305
Energy: 1.025474244354865
Energy: 1.027538048958429
Energy: 1.0234672911437677
Energy: 1.1516977418482743
Energy: 1.0245474336433893
Energy: 1.151697741847077
Energy: 1.0248319222172422
Energy: 1.1455310692286393
Energy: 1.0873694339023046
Energy: 1.1455310692298364
Energy: 1.0883234477899002
Energy: 1.1550811441962776
Energy: 1.0367085226234993
Energy: 1.1550811441968762
Energy: 1.097424612872292
Energy: 1.2033988818874375
Energy: 1.0884276707477418
Energy: 1.2033988818898316
Energy: 1.0955262470702296
Energy: 1.1060318231565764
Energy: 1.0957169375882214
Energy: 1.1060318231565764
Energy: 1.080002281479336
Energy: 1.2026726756885666
Energy: 1.0247180983239634
Energy: 1.2026726756885666
Energy: 1.0953882779799438
Energy: 1.2014208204369679
Energy: 1.0368915000246144
Energy: 1.2014208204363692
Energy: 1.0887400244473193
Energy: 1.1466551021394669
Energy: 1.0927858983174676
Energy: 1.146655102140664
Energy: 1.0237563752436287
Energy: 1.1466413638557136
Energy: 1.0847637828835317
Energy: 1.1466413638569106
Energy: 1.074689353018892
Energy: 1.0281529537953122
Energy: 1.0264379786576834
Energy: 1.0281529537959104
Energy: 0.9699900420599596
Energy: 1.0237462318065964
Energy: 1.0246151157782883
Energy: 1.023746231807195
Energy: 1.0339665571415653
Energy: 1.0329826508477906
Energy: 0.9700903396738929
Energy: 1.0329826508477906
Energy: 1.0246809739565208
Energy: 1.0250744195317154
Energy: 1.0758671618751638
Energy: 1.025074419532314
Energy: 1.0244406197212572
Energy: 1.0369930839115848
Energy: 1.0371538457596903
Energy: 1.0369930839109864
Energy: 1.0235046545295452
Energy: 1.0251918702122933
Energy: 1.0235811938731643
Energy: 1.0251918702140888
Energy: 1.0258247567400902
Energy: 1.0254401079657802
Energy: 1.0874774538037273
Energy: 1.0254401079657802
Energy: 1.0247389923948125
Energy: 1.0245698987274348
Energy: 1.0234932172467628
Energy: 1.0245698987274348
Energy: 1.0810615914125596
Energy: 1.1461750984465207
Energy: 1.023461514203137
Energy: 1.146175098447119
Energy: 1.035400945217763
Energy: 1.1448968897252787
Energy: 1.0896729098679
Energy: 1.1448968897252787
Energy: 1.0883820903776467
Energy: 1.2035883975673993
Energy: 1.095672475718196
Energy: 1.2035883975668011
Energy: 1.0973707549575302
Energy: 1.201270922186567
Energy: 1.0969509653769858
Energy: 1.201270922186567
Energy: 1.024205478640198
Energy: 1.2026615589164744
Energy: 1.080050198382615
Energy: 1.2026615589152772
Energy: 1.0372978962959403
Energy: 1.2017774492448392
Energy: 1.0947038811097727
Energy: 1.2017774492448392
Energy: 1.0929155075539219
Energy: 1.1481594369035393
Energy: 1.0267582380637745
Energy: 1.1481594369023422
Energy: 1.0850319724644462
Energy: 1.1457854196250403
Energy: 1.0234543400994094
Energy: 1.1457854196262374
Energy: 1.0278625926841911
Energy: 1.0282831844448375
Energy: 1.0749306710239919
Energy: 1.0282831844472042
Energy: 1.0245721478366248
Energy: 1.025805902382733
Energy: 0.9701448669111769
Energy: 1.025805902382733
Energy: 0.9699329948213623
Energy: 1.0327172441318038
Energy: 1.0329331106018562
Energy: 1.0327172441306065

minimum gb energy = 0.9699329948213623 eV
minimum distance =  2.59642922219741 Angstroms
sigma value = 1


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

Energy: 1.2314385189478794
Energy: 1.0379496938246904
Energy: 1.1103355407970117
Energy: 1.0379496938219606
Energy: 1.1548479047795495
Energy: 1.142916581268405
Energy: 1.0973523055375867
Energy: 1.1429165812724995
Energy: 1.1072000915292568
Energy: 1.1058510771793408
Energy: 1.096978743952
Energy: 1.105851077182753
Energy: 1.095068636768317
Energy: 1.100965555735851
Energy: 1.097040225797421
Energy: 1.1009655557365334
Energy: 1.095933272938302
Energy: 1.101394112967334
Energy: 1.0963536200085036
Energy: 1.101394112972793
Energy: 1.095053040325477
Energy: 1.242312891186563
Energy: 1.0973292183538597
Energy: 1.242312891186563
Energy: 1.0950837696128568
Energy: 1.2346131833227179
Energy: 1.168820241555398
Energy: 1.234613183324765
Energy: 1.0955673987512342
Energy: 1.2410451213586533
Energy: 1.1073798375089006
Energy: 1.2410451213607006
Energy: 1.104732142489429
Energy: 1.286402772726446
Energy: 1.032516781463942
Energy: 1.2864027727312226
Energy: 1.1085188633327092
Energy: 1.2862255807270444
Energy: 1.1735466440381945
Energy: 1.28622558072295
Energy: 1.1699891910543274
Energy: 1.2369141859552426
Energy: 1.0948032542473602
Energy: 1.2369141859566073
Energy: 1.1631156158403668
Energy: 1.235098507030052
Energy: 1.095081985410692
Energy: 1.2350985070327813
Energy: 1.097152525063676
Energy: 1.10144232434508
Energy: 1.1540963047102264
Energy: 1.1014423243491744
Energy: 1.097328105679433
Energy: 1.100517256124772
Energy: 1.0323862429141668
Energy: 1.1005172561268193
Energy: 1.0326787459615832
Energy: 1.1042350826243124
Energy: 1.106215406286096
Energy: 1.1042350826229477
Energy: 1.155013078348651
Energy: 1.0980914253378478
Energy: 1.097118591061728
Energy: 1.0980914253344356
Energy: 1.1091866722792356
Energy: 1.1093307702376742
Energy: 1.0971476825202504
Energy: 1.1093307702376742
Energy: 1.095059313865485
Energy: 1.0977616270016146
Energy: 1.0944745314642488
Energy: 1.0977616270036619
Energy: 1.108111712954126
Energy: 1.096112912777246
Energy: 1.096771813900131
Energy: 1.0961129127792935
Energy: 1.095050579064343
Energy: 1.0998241507304953
Energy: 1.0972898249114176
Energy: 1.0998241507311777
Energy: 1.0948202222415075
Energy: 1.235260382263018
Energy: 1.1038434768687244
Energy: 1.2352603822623356
Energy: 1.0958396003523005
Energy: 1.2328322955844218
Energy: 1.1074779946077484
Energy: 1.232832295585104
Energy: 1.1101273919653782
Energy: 1.2862827129389631
Energy: 1.0327945903554572
Energy: 1.286282712940328
Energy: 1.1082700429283256
Energy: 1.2860697555402811
Energy: 1.1738866705147628
Energy: 1.286069755538916
Energy: 1.1698662901860801
Energy: 1.2378185463868414
Energy: 1.094508751243646
Energy: 1.237818546387524
Energy: 1.1584429315771907
Energy: 1.2345284194482076
Energy: 1.0948777050446257
Energy: 1.2345284194468429
Energy: 1.101371966057645
Energy: 1.1017892063857204
Energy: 1.1536359011009547
Energy: 1.1017892063911796
Energy: 1.0971233126379927
Energy: 1.0990953363801257
Energy: 1.0323472312857982
Energy: 1.0990953363794433
Energy: 1.0325006584331402
Energy: 1.104225700723124
Energy: 1.1045707364323663
Energy: 1.1042257007224416

minimum gb energy = 1.0323472312857982 eV
minimum distance =  2.59561741810036 Angstroms
sigma value = 25


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

Energy: 1.3085211381017245
Energy: 1.1115296361204883
Energy: 1.192260698914827
Energy: 1.1115296361204883
Energy: 1.2614731003186528
Energy: 1.2237220597072094
Energy: 1.1813703164303913
Energy: 1.2237220597080025
Energy: 1.1871332630145635
Energy: 1.1879446487335568
Energy: 1.1808772297499148
Energy: 1.1879446487335568
Energy: 1.186519300540548
Energy: 1.1886992471664142
Energy: 1.1814089419798957
Energy: 1.1886992471664142
Energy: 1.1806267307271554
Energy: 1.1887644520664205
Energy: 1.1806305189845343
Energy: 1.1887644520664205
Energy: 1.1770377912514234
Energy: 1.1818418901400423
Energy: 1.181359569362589
Energy: 1.1818418901400423
Energy: 1.1776039120628858
Energy: 1.34127165497377
Energy: 1.2541897525800492
Energy: 1.3412716549745634
Energy: 1.1788787830110956
Energy: 1.3373224225013143
Energy: 1.1227972682241474
Energy: 1.3373224225013143
Energy: 1.256469591505979
Energy: 1.3463763359963903
Energy: 1.2480013690291947
Energy: 1.3463763359963903
Energy: 1.1769182994104292
Energy: 1.3416132727123853
Energy: 1.1815954609400514
Energy: 1.341613272711592
Energy: 1.1031841466514034
Energy: 1.1883528600298232
Energy: 1.1814269590794526
Energy: 1.1883528600290298
Energy: 1.103298401266956
Energy: 1.1824990147571368
Energy: 1.1812800672666586
Energy: 1.1824990147571368
Energy: 1.1865270907366845
Energy: 1.186496384341682
Energy: 1.103486503300465
Energy: 1.186496384341682
Energy: 1.1935264270220312
Energy: 1.1776466629037423
Energy: 1.2612573779156997
Energy: 1.1776466629053288
Energy: 1.1803815565105626
Energy: 1.1865824153525444
Energy: 1.1936850881897823
Energy: 1.186582415354924
Energy: 1.194549336963273
Energy: 1.1773307292671182
Energy: 1.1868885155960682
Energy: 1.1773307292663249
Energy: 1.18162315862125
Energy: 1.1772364511830948
Energy: 1.180355918189826
Energy: 1.1772364511830948
Energy: 1.1823584435256682
Energy: 1.178653337994578
Energy: 1.1770570816927428
Energy: 1.178653337994578
Energy: 1.2542804885818755
Energy: 1.3408580057734518
Energy: 1.1772697934748633
Energy: 1.3408580057742452
Energy: 1.1237811651036163
Energy: 1.3408347468303985
Energy: 1.1772621686883225
Energy: 1.3408347468303985
Energy: 1.2485680415845244
Energy: 1.346506065550095
Energy: 1.177034523990531
Energy: 1.346506065550095
Energy: 1.2486470274212507
Energy: 1.341588402167443
Energy: 1.1775588038686222
Energy: 1.341588402169805
Energy: 1.1870246268577551
Energy: 1.1887070666472697
Energy: 1.1033026804624124
Energy: 1.1887070666472697
Energy: 1.1813533186650824
Energy: 1.1824536100143435
Energy: 1.1033125516706217
Energy: 1.1824536100151368
Energy: 1.1032213298604256
Energy: 1.186534247666426
Energy: 1.1872081336595774
Energy: 1.1865342476680123

minimum gb energy = 1.1031841466514034 eV
minimum distance =  2.60050271886363 Angstroms
sigma value = 9


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

Energy: 1.7115501141766183
Energy: 1.1936456970418934
Energy: 1.2888066362759916
Energy: 1.1936456970409473
Energy: 1.3668685765364421
Energy: 1.3128320443307337
Energy: 1.290853461008507
Energy: 1.3128320443307337
Energy: 1.2795115088026272
Energy: 1.2801422862800502
Energy: 1.2918863697772314
Energy: 1.2801422862791039
Energy: 1.2796354843668045
Energy: 1.313532715089153
Energy: 1.2783060590363498
Energy: 1.3135327150872602
Energy: 1.2748683398377745
Energy: 1.2925494108981834
Energy: 1.277567983958099
Energy: 1.292549410900076
Energy: 1.2674944890839681
Energy: 1.279590936469225
Energy: 1.278537911535746
Energy: 1.2795909364682787
Energy: 1.3507918897186002
Energy: 1.4783083393822194
Energy: 1.2786842598552648
Energy: 1.4783083393831657
Energy: 1.2789322866776673
Energy: 1.4575568434151969
Energy: 1.2781555315556536
Energy: 1.4575568434161432
Energy: 1.2794335670745542
Energy: 1.292017461664865
Energy: 1.1807073311097263
Energy: 1.2920174616639186
Energy: 1.2784886717757193
Energy: 1.292960866359934
Energy: 1.180878799421835
Energy: 1.292960866359934
Energy: 1.1816592249610731
Energy: 1.28003205048718
Energy: 1.2800710489525555
Energy: 1.2800320504890728
Energy: 1.3672263069872688
Energy: 1.2673620796386718
Energy: 1.290824948420294
Energy: 1.2673620796396179
Energy: 1.2910730746896162
Energy: 1.2800578568899224
Energy: 1.291810255703389
Energy: 1.2800578568889764
Energy: 1.2796697394646457
Energy: 1.2675332416198524
Energy: 1.2812736636870448
Energy: 1.2675332416189062
Energy: 1.2749520039804487
Energy: 1.2667824577641937
Energy: 1.2786392395750845
Energy: 1.2667824577660864
Energy: 1.2669518031318474
Energy: 1.2786641756817283
Energy: 1.2781267022778162
Energy: 1.2786641756817283
Energy: 1.3504205741214808
Energy: 1.4865793690369302
Energy: 1.2789495933522088
Energy: 1.4865793690369302
Energy: 1.3504253854842574
Energy: 1.4802230398070955
Energy: 1.2787032633667814
Energy: 1.480223039806149
Energy: 1.2801392549758797
Energy: 1.293118787072904
Energy: 1.1807560876555028
Energy: 1.293118787072904
Energy: 1.278770321064878
Energy: 1.2929037343622474
Energy: 1.18089181970624
Energy: 1.2929037343641403
Energy: 1.1804423611229824
Energy: 1.2798983962834283
Energy: 1.279201871040903
Energy: 1.2798983962853208

minimum gb energy = 1.1804423611229824 eV
minimum distance =  2.60598655579284 Angstroms
sigma value = 25


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

Energy: 1.538270564687113
Energy: 1.2763880229496256
Energy: 1.4021698176530124
Energy: 1.2763880229496256
Energy: 1.3902644416448728
Energy: 1.360647322440207
Energy: 1.4004753974788282
Energy: 1.360647322440207
Energy: 1.3866758256021274
Energy: 1.388166100695817
Energy: 1.4004467909726088
Energy: 1.3881661006969874
Energy: 1.3865607523548915
Energy: 1.3614835486725005
Energy: 1.2975222939716888
Energy: 1.3614835486713301
Energy: 1.292524937243497
Energy: 1.2973707858894317
Energy: 1.297582910207924
Energy: 1.2973707858894317
Energy: 1.2673413953709798
Energy: 1.4638645073437546
Energy: 1.2957497932361544
Energy: 1.4638645073437546
Energy: 1.2621859294447266
Energy: 1.297363420406338
Energy: 1.2974658702154667
Energy: 1.2973634204086786
Energy: 1.2623280736928069
Energy: 1.3619250264096188
Energy: 1.29742845120245
Energy: 1.3619250264096188
Energy: 1.3868997923552868
Energy: 1.3867648096741034
Energy: 1.501973884613992
Energy: 1.3867648096741034
Energy: 1.400595394190921
Energy: 1.2682818074890723
Energy: 1.4985554180945289
Energy: 1.2682818074890723
Energy: 1.400090409512058
Energy: 1.3873067928418674
Energy: 1.4002825020082588
Energy: 1.3873067928418674
Energy: 1.386043729332491
Energy: 1.26803747625375
Energy: 1.3876278790590726
Energy: 1.26803747625375
Energy: 1.2963391054308866
Energy: 1.4643482855228735
Energy: 1.2924667226507465
Energy: 1.4643482855228735
Energy: 1.2975526462260576
Energy: 1.2973163725450216
Energy: 1.2691083745610279
Energy: 1.2973163725485328
Energy: 1.2975602601974006
Energy: 1.4108141385751811
Energy: 1.262084051449346
Energy: 1.4108141385751811
Energy: 1.2969089923528712
Energy: 1.2972678348387068
Energy: 1.2622818304814494
Energy: 1.2972678348340256
Energy: 1.4993690492902472
Energy: 1.386324783399421
Energy: 1.385548399167234
Energy: 1.386324783399421

minimum gb energy = 1.262084051449346 eV
minimum distance =  2.61101583883355 Angstroms
sigma value = 17


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

Energy: 2.046967118808189
Energy: 1.4332835655447473
Energy: 1.5241485033332725
Energy: 1.4332835655447473
Energy: 1.2963844568008047
Energy: 1.3211364769109963
Energy: 1.4475888320426145
Energy: 1.321136476912322
Energy: 1.3616033170168442
Energy: 1.3613146628543893
Energy: 1.50304640288437
Energy: 1.361314662855052
Energy: 1.3616166320905134
Energy: 1.3740606975758909
Energy: 1.3593101601534652
Energy: 1.374060697574565
Energy: 1.3617030896546218
Energy: 1.4273636671881451
Energy: 1.297701126559938
Energy: 1.4273636671881451
Energy: 1.3601298617557958
Energy: 1.3763012358882836
Energy: 1.361423412901759
Energy: 1.3763012358876208
Energy: 1.4181557599318024
Energy: 1.359647819159738
Energy: 1.3598350657820384
Energy: 1.359647819159738
Energy: 1.5836546175712507
Energy: 1.3592153918595786
Energy: 1.3246256872915594
Energy: 1.3592153918609042
Energy: 1.519053303370298
Energy: 1.5032329004808331
Energy: 1.5053137563554166
Energy: 1.5032329004821587
Energy: 1.5033520272257306
Energy: 1.5029839958639097
Energy: 1.4463220609197767
Energy: 1.5029839958639097
Energy: 1.3589611224395333
Energy: 1.2996322909893785
Energy: 1.3191693798541486
Energy: 1.29963229099203
Energy: 1.5039150838196407
Energy: 1.3215476933571582
Energy: 1.3221355916994508
Energy: 1.321547693357821
Energy: 1.4182339064238174
Energy: 1.3214856589659498
Energy: 1.3224110254342827
Energy: 1.3214856589613102
Energy: 1.4186228258875135
Energy: 1.321392139529463
Energy: 1.3205696860207468
Energy: 1.3213921395307888
Energy: 1.5032774871388055
Energy: 1.5023721595919397
Energy: 1.586249388055271
Energy: 1.5023721595899515
Energy: 1.5175094161023022
Energy: 1.5024813789329465
Energy: 1.5865317998811272
Energy: 1.502481378932284
Energy: 1.5032991886306666
Energy: 1.3596264128574305
Energy: 1.3620392241879027
Energy: 1.3596264128567677
Energy: 1.5035880500469323
Energy: 1.359616508238789
Energy: 1.3582194823738936
Energy: 1.3596165082394518
Energy: 1.3607080920690735
Energy: 1.4282006216955576
Energy: 1.3619421702740346
Energy: 1.4282006216962204
Energy: 1.2995806024295573
Energy: 1.3739776123889749
Energy: 1.362143549984678
Energy: 1.3739776123863237
Energy: 1.3603732694296575
Energy: 1.3608198047469409
Energy: 1.5835163468749187
Energy: 1.360819804747604
Energy: 1.3613332673993928
Energy: 1.3603883691571224
Energy: 1.4180707763319211
Energy: 1.3603883691571224
Energy: 1.4461570597952391
Energy: 1.4202073881714299
Energy: 1.446182338134662
Energy: 1.420207388170767
Energy: 1.5206012562009763
Energy: 1.503393498994137
Energy: 1.5034890124403557
Energy: 1.5033934989954627
Energy: 1.3214237657352035
Energy: 1.3216228277273359
Energy: 1.5037160846227984
Energy: 1.3216228277260103
Energy: 1.3222576480811519
Energy: 1.3216353067855966
Energy: 1.359037679564184
Energy: 1.3216353067849338
Energy: 1.3188262207637833
Energy: 1.3220927155893973
Energy: 1.41957314364095
Energy: 1.3220927155893973
Energy: 1.3221468608659606
Energy: 1.3215429483678995
Energy: 1.418739022383375
Energy: 1.3215429483685626
Energy: 1.321370067846584
Energy: 1.321190095632073
Energy: 1.418099999807698
Energy: 1.3211900956333986
Energy: 1.5882347026343082
Energy: 1.5038109282786916
Energy: 1.503192075229667
Energy: 1.5038109282786916

minimum gb energy = 1.2963844568008047 eV
minimum distance =  2.60048182052255 Angstroms
sigma value = 53


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

Energy: 1.8845403531546672
Energy: 1.2840908653321963
Energy: 1.4467644289224206
Energy: 1.2840908653314331
Energy: 1.596387447352979
Energy: 1.35766054160127
Energy: 1.442985059298758
Energy: 1.3576605416006633
Energy: 1.442283120825299
Energy: 1.4423403559715564
Energy: 1.45516277089817
Energy: 1.4423403559706374
Energy: 1.4423851540431607
Energy: 1.358366477669213
Energy: 1.4407838214743378
Energy: 1.358366477667687
Energy: 1.4607997389089369
Energy: 1.357574239840891
Energy: 1.2712532337534121
Energy: 1.35757423983692
Energy: 1.440983385652086
Energy: 1.3598209516031083
Energy: 1.2734138890290858
Energy: 1.359820951603559
Energy: 1.5965421330812575
Energy: 1.4424194540138495
Energy: 1.4427838435577993
Energy: 1.4424194540135375
Energy: 1.596500513591037
Energy: 1.4410830350123605
Energy: 1.4393528894318157
Energy: 1.441083035011892
Energy: 1.4419405512004837
Energy: 1.4441229831943045
Energy: 1.457193493116275
Energy: 1.4441229831941484
Energy: 1.4406947324453698
Energy: 1.4418708274516914
Energy: 1.442485692005139
Energy: 1.4418708274512406
Energy: 1.4609077756331874
Energy: 1.3625764509229783
Energy: 1.2733716414056075
Energy: 1.3625764509234464
Energy: 1.4421210187419322
Energy: 1.3569610339520441
Energy: 1.268227138514495
Energy: 1.3569610339524951
Energy: 1.5965508818728638
Energy: 1.4412866870591434
Energy: 1.4401460250892721
Energy: 1.4412866870580683

minimum gb energy = 1.268227138514495 eV
minimum distance =  2.60518044647193 Angstroms
sigma value = 9


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

Energy: 1.8119150579772731
Energy: 1.4698191650166283
Energy: 1.6049233758627306
Energy: 1.4698191650177577
Energy: 1.408537290730995
Energy: 1.3489770271584987
Energy: 1.5649131140796018
Energy: 1.3489770271584987
Energy: 1.3496500512737128
Energy: 1.3547601114051049
Energy: 1.5478742974938693
Energy: 1.3547601114051049
Energy: 1.3517125802781156
Energy: 1.3512820237365442
Energy: 1.641978716260524
Energy: 1.3512820237371088
Energy: 1.3501815525797138
Energy: 1.348362641664217
Energy: 1.6394242543868212
Energy: 1.3483626416630872
Energy: 1.3474464640310504
Energy: 1.3486103008263641
Energy: 1.6394123924507082
Energy: 1.3486103008263641
Energy: 1.569197215327046
Energy: 1.5485590544413694
Energy: 1.5660104318700405
Energy: 1.54855905444024
Energy: 1.567417804203318
Energy: 1.5475350467103157
Energy: 1.54916530353053
Energy: 1.5475350467091862
Energy: 1.398533904206499
Energy: 1.4641808260525648
Energy: 1.418694417128765
Energy: 1.4641808260536944
Energy: 1.3556077539179618
Energy: 1.4202919733680794
Energy: 1.5483822009530215
Energy: 1.4202919733686443
Energy: 1.3968494442456207
Energy: 1.3967274972124426
Energy: 1.5072413164016192
Energy: 1.396727497211878
Energy: 1.4178338260925698
Energy: 1.3993216783201983
Energy: 1.640691935849408
Energy: 1.3993216783201983
Energy: 1.565179465960647
Energy: 1.396756963926375
Energy: 1.4194337300963542
Energy: 1.3967569639291988
Energy: 1.5688533847346524
Energy: 1.3982245629911767
Energy: 1.3987656909600874
Energy: 1.3982245629906118
Energy: 1.5478476611808898
Energy: 1.4019175779145905
Energy: 1.4020369944272677
Energy: 1.4019175779151551
Energy: 1.4543415867253338
Energy: 1.4733617736529951
Energy: 1.4170334639606912
Energy: 1.4733617736546896
Energy: 1.5479514494360895
Energy: 1.4698995231715963
Energy: 1.39894738548105
Energy: 1.4698995231715963
Energy: 1.5483400710000457
Energy: 1.5505296335823628
Energy: 1.6435196894425157
Energy: 1.550529633585161
Energy: 1.56472651929853
Energy: 1.3486934558205372
Energy: 1.4096094728017619
Energy: 1.3486934558301382
Energy: 1.5482147239246742
Energy: 1.3505225646648695
Energy: 1.3485611914139315
Energy: 1.3505225646648695
Energy: 1.642630948123956
Energy: 1.3497495189770923
Energy: 1.348936559185051
Energy: 1.3497495189793511
Energy: 1.6395240011905636
Energy: 1.347768744835434
Energy: 1.348642485847041
Energy: 1.3477687448348692
Energy: 1.6394433012860103
Energy: 1.348806033529024
Energy: 1.3472484474473927
Energy: 1.3488060335273298
Energy: 1.567092904554994
Energy: 1.5482212625835106
Energy: 1.5687669483632931
Energy: 1.5482212625829457
Energy: 1.5487759289649232
Energy: 1.5476131579868602
Energy: 1.5673017499804782
Energy: 1.5476131579879897
Energy: 1.4177755165784447
Energy: 1.4718468428503844
Energy: 1.3983811641149289
Energy: 1.4718468428498195
Energy: 1.5487455286454364
Energy: 1.4198008094608883
Energy: 1.3553197393731866
Energy: 1.4198008094614532
Energy: 1.5065871386581748
Energy: 1.3974497903783525
Energy: 1.3978148163058868
Energy: 1.397449790380047
Energy: 1.640921889472966
Energy: 1.496327276175289
Energy: 1.4166176498264487
Energy: 1.4963272761758537
Energy: 1.4191624428730174
Energy: 1.397178156873678
Energy: 1.5685175039322607
Energy: 1.397178156873678
Energy: 1.3992988119141698
Energy: 1.3991059276011846
Energy: 1.5486207182421274
Energy: 1.3991059276017492
Energy: 1.4011324342105187
Energy: 1.398099864137563
Energy: 1.5482520698389746
Energy: 1.3980998641369982
Energy: 1.4171343974850226
Energy: 1.4733795240605616
Energy: 1.4547631275080888
Energy: 1.473379524059432
Energy: 1.399065665270803
Energy: 1.4723380494543248
Energy: 1.4540052881036722
Energy: 1.4723380494548897
Energy: 1.643018175751249
Energy: 1.549548637898698
Energy: 1.5480566361088248
Energy: 1.5495486378970034

minimum gb energy = 1.3472484474473927 eV
minimum distance =  2.56278632718662 Angstroms
sigma value = 73


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

Energy: 1.9761015183999688
Energy: 1.4227901750193805
Energy: 1.489170319065277
Energy: 1.4227901750193805
Energy: 1.4230558317298676
Energy: 1.3687260270533514
Energy: 1.5034972114968193
Energy: 1.3687260270542476
Energy: 1.3713950453659907
Energy: 1.3725659576203337
Energy: 1.5366544443131411
Energy: 1.3725659576203337
Energy: 1.3727297006244286
Energy: 1.371972365647337
Energy: 1.6222687113362024
Energy: 1.371972365646441
Energy: 1.3732243284110954
Energy: 1.373932681814804
Energy: 1.5774240820759238
Energy: 1.3739326818157
Energy: 1.4529612933265523
Energy: 1.3743404215609178
Energy: 1.5765940788563626
Energy: 1.3743404215609178
Energy: 1.5306542377611088
Energy: 1.5393814556026488
Energy: 1.559040864125125
Energy: 1.5393814556017529
Energy: 1.4548145825516525
Energy: 1.5365082585562542
Energy: 1.53664544415911
Energy: 1.5365082585562542
Energy: 1.4245408318490909
Energy: 1.536899554604034
Energy: 1.5372944552017511
Energy: 1.53689955460493
Energy: 1.3993888554786529
Energy: 1.5690868656110355
Energy: 1.5374077746000099
Energy: 1.5690868656101395
Energy: 1.4259081461232852
Energy: 1.3402114660073474
Energy: 1.5376285954739441
Energy: 1.3402114660073474
Energy: 1.4325386126964759
Energy: 1.3418251505211916
Energy: 1.6122810705973314
Energy: 1.3418251505202954
Energy: 1.5366899201892903
Energy: 1.4373468319160216
Energy: 1.417190451063921
Energy: 1.4373468319169176
Energy: 1.536662037719037
Energy: 1.414681525425898
Energy: 1.4132105891306301
Energy: 1.4146815254267942
Energy: 1.564241264864969
Energy: 1.4145473809093365
Energy: 1.4140197738024287
Energy: 1.4145473809084406
Energy: 1.5622699439777008
Energy: 1.417221312610792
Energy: 1.4143273843419375
Energy: 1.417221312611688
Energy: 1.5768904649215654
Energy: 1.4172761687398636
Energy: 1.4136529826935529
Energy: 1.4172761687398636
Energy: 1.509339166811621
Energy: 1.5910224668830122
Energy: 1.5634706703385606
Energy: 1.5910224668839081
Energy: 1.4950535444511923
Energy: 1.4964573576974611
Energy: 1.4557051024001726
Energy: 1.4964573576974611
Energy: 1.4942777257755895
Energy: 1.4638830636875662
Energy: 1.4882825514781293
Energy: 1.4638830636866702
Energy: 1.4946880678641357
Energy: 1.476804710074622
Energy: 1.4031809266811759
Energy: 1.4768047100755182
Energy: 1.6412037164091442
Energy: 1.48687147312235
Energy: 1.4874171620212036
Energy: 1.4868714731214538

minimum gb energy = 1.3402114660073474 eV
minimum distance =  2.55272969815407 Angstroms
sigma value = 7


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

Energy: 1.6437197180260803
Energy: 1.4353494430764353
Energy: 1.5830072078608322
Energy: 1.4353494430770686
Energy: 1.4198203139967154
Energy: 1.4815072517468761
Energy: 1.5016490217409046
Energy: 1.4815072517462422
Energy: 1.3728525141689412
Energy: 1.3736587532298363
Energy: 1.5247888348385494
Energy: 1.3736587532292026
Energy: 1.3802562137156755
Energy: 1.3806706623739062
Energy: 1.651502208057675
Energy: 1.3806706623713718
Energy: 1.3724536049404474
Energy: 1.371037329788501
Energy: 1.5299530466250513
Energy: 1.3710373297872336
Energy: 1.430135343097037
Energy: 1.370950393720328
Energy: 1.5273372886982435
Energy: 1.370950393719694
Energy: 1.5166140524997767
Energy: 1.3737335814595513
Energy: 1.3865783092673694
Energy: 1.3737335814576503
Energy: 1.4826688374683195
Energy: 1.3698287289650932
Energy: 1.3698557872825436
Energy: 1.3698287289676276
Energy: 1.6094413723238425
Energy: 1.3851468866452077
Energy: 1.3847695021350448
Energy: 1.3851468866452077
Energy: 1.5744228228504293
Energy: 1.6306169514591464
Energy: 1.3717039693303275
Energy: 1.6306169514572455
Energy: 1.6105028056347928
Energy: 1.5208094754508528
Energy: 1.5385687648318236
Energy: 1.5208094754514865
Energy: 1.5220105934013206
Energy: 1.5249237493030936
Energy: 1.4252745621593603
Energy: 1.524923749299292
Energy: 1.5219517384557895
Energy: 1.523157505410131
Energy: 1.4356631327381295
Energy: 1.5231575054113984
Energy: 1.5223064670207362
Energy: 1.4943862873131413
Energy: 1.4208740561792637
Energy: 1.494386287313775
Energy: 1.5233469603885923
Energy: 1.4315929642220546
Energy: 1.4202570138620598
Energy: 1.431592964220154
Energy: 1.5513561694605795
Energy: 1.3735005517286825
Energy: 1.4530849671833177
Energy: 1.3735005517305832
Energy: 1.4776358709228652
Energy: 1.3684185642830065
Energy: 1.4667374066606607
Energy: 1.3684185642811058
Energy: 1.4125159508201046
Energy: 1.4382714953767337
Energy: 1.5254902734603664
Energy: 1.4382714953761
Energy: 1.4203044749360594
Energy: 1.4219647632342303
Energy: 1.525606796508032
Energy: 1.4219647632342303
Energy: 1.4109188807661819
Energy: 1.4109217608665303
Energy: 1.5879310172108543
Energy: 1.4109217608658968
Energy: 1.4990042913082673
Energy: 1.4129649060601575
Energy: 1.5271309307268919
Energy: 1.4129649060614249
Energy: 1.511643162842577
Energy: 1.3742042171804953
Energy: 1.384308842250601
Energy: 1.3742042171760602
Energy: 1.5130177885972456
Energy: 1.3739143775838072
Energy: 1.3752753561936628
Energy: 1.3739143775882425
Energy: 1.5959748502268263
Energy: 1.3813523127447183
Energy: 1.3814154388551267
Energy: 1.381352312743451
Energy: 1.574682152088996
Energy: 1.3762372047050273
Energy: 1.3748061095803334
Energy: 1.3762372047037599
Energy: 1.6168778845847391
Energy: 1.652898606108487
Energy: 1.3761508553139972
Energy: 1.652898606107853
Energy: 1.4821380765854208
Energy: 1.4829355421936432
Energy: 2.171307412687021
Energy: 1.482935542190475
Energy: 1.4825359093548576
Energy: 1.4835849944326762
Energy: 1.4793140017292659
Energy: 1.4835849944288746
Energy: 1.503209737714085
Energy: 1.4565541383952862
Energy: 1.4836502546723673
Energy: 1.456554138394653
Energy: 1.4812552574744846
Energy: 1.4803517025327224
Energy: 1.4202711934183772
Energy: 1.4803517025314554
Energy: 1.5901203966107451
Energy: 1.4795323897752861
Energy: 1.4829325327853102
Energy: 1.4795323897759194

minimum gb energy = 1.3684185642811058 eV
minimum distance =  2.5480852179882 Angstroms
sigma value = 29


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

Energy: 1.3216766450431834
Energy: 1.3225980604153063
Energy: 1.3431639089128675
Energy: 1.3225980604148648
Energy: 1.331346058292385
Energy: 1.4278043398981846
Energy: 1.3351327346024278
Energy: 1.4278043398986018
Energy: 1.3380273696889513
Energy: 1.421807179403843
Energy: 1.3237262174717592
Energy: 1.421807179402985
Energy: 1.329892856332913
Energy: 1.3384338085259597
Energy: 1.3388551559697914
Energy: 1.3384338085259597
Energy: 1.3394423347580915
Energy: 1.340287556049303
Energy: 1.32788900143868
Energy: 1.3402875560495242
Energy: 1.3396571272805304
Energy: 1.4276660083562696
Energy: 1.3289074866515158
Energy: 1.427666008356049
Energy: 1.323131697721995
Energy: 1.4221252620440414
Energy: 1.3384811029686419
Energy: 1.4221252620448996
Energy: 1.3353637945376
Energy: 1.337741336351909
Energy: 1.3309804897499267
Energy: 1.337741336351909
Energy: 1.3312169699690881
Energy: 1.3365712295770837
Energy: 1.3363398814551053
Energy: 1.3365712295770837

minimum gb energy = 1.3216766450431834 eV
minimum distance =  2.57486932574842 Angstroms
sigma value = 5


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

Energy: 1.8501156823011946
Energy: 1.2313353656522497
Energy: 1.478738065831724
Energy: 1.2313353656498556
Energy: 1.28499696282672
Energy: 1.2636440907806172
Energy: 1.4936783025555818
Energy: 1.2636440907800186
Energy: 1.4913558869416346
Energy: 1.353753454650741
Energy: 1.4920456077238247
Energy: 1.3537534546501426
Energy: 1.2856900207824498
Energy: 1.2582651520120647
Energy: 1.4792495093205982
Energy: 1.2582651520216408
Energy: 1.4779563642565179
Energy: 1.2582016847502522
Energy: 1.4868644446695234
Energy: 1.2582016847502522
Energy: 1.2583354175537216
Energy: 1.2586091701861348
Energy: 1.4862222650265258
Energy: 1.2586091701843394
Energy: 1.2585688338857015
Energy: 1.257288422589497
Energy: 1.4803468400798545
Energy: 1.2572884225888983
Energy: 1.2705186459464364
Energy: 1.2630467339612284
Energy: 1.670127022323142
Energy: 1.2630467339600313
Energy: 1.2904394861167874
Energy: 1.2976171665551277
Energy: 1.6692448732531018
Energy: 1.2976171665557263
Energy: 1.4883054344031064
Energy: 1.2321626102014258
Energy: 1.233631183811713
Energy: 1.2321626102014258
Energy: 1.2879725970412779
Energy: 1.232201585289963
Energy: 1.2335207355857207
Energy: 1.2322015852905615
Energy: 1.667243209333132
Energy: 1.2311203199724747
Energy: 1.232569043327928
Energy: 1.2311203199724747
Energy: 1.6675867778832443
Energy: 1.2318395930137973
Energy: 1.2333051284448326
Energy: 1.231839593013199
Energy: 1.2858164834600103
Energy: 1.2955409960023763
Energy: 1.4893402540690537
Energy: 1.2955409960029747
Energy: 1.2585852032866034
Energy: 1.2585993635114923
Energy: 1.486630674904575
Energy: 1.2585993635108939
Energy: 1.263095056337008
Energy: 1.2608925958785708
Energy: 1.4784606442480335
Energy: 1.2608925958767754
Energy: 1.2584919144116378
Energy: 1.2581292448835755
Energy: 1.2831150553261723
Energy: 1.2581292448829773
Energy: 1.481697853643596
Energy: 1.2682970189144198
Energy: 1.285540709736605
Energy: 1.2682970189138214
Energy: 1.4927411936280066
Energy: 1.3544895207133987
Energy: 1.4911847573159576
Energy: 1.3544895207128003
Energy: 1.4807844680771496
Energy: 1.2579844838279979
Energy: 1.2833179340722458
Energy: 1.2579844838279979
Energy: 1.4863972853368597
Energy: 1.25907281368881
Energy: 1.4795475740508128
Energy: 1.25907281368881
Energy: 1.4874067063037533
Energy: 1.2581534231745257
Energy: 1.2585678928273665
Energy: 1.2581534231751246
Energy: 1.4790819736826102
Energy: 1.25803006388643
Energy: 1.2595903907365815
Energy: 1.2580300638858313
Energy: 1.669913767731757
Energy: 1.2612478032541543
Energy: 1.2635491691291727
Energy: 1.261247803253556
Energy: 1.6690735633174696
Energy: 1.2957679048773263
Energy: 1.2876774632433359
Energy: 1.2957679048755306
Energy: 1.2322312771338488
Energy: 1.232393788921992
Energy: 1.4883648095897313
Energy: 1.2323937889225902
Energy: 1.2333412442624325
Energy: 1.2324644026400216
Energy: 1.290364545864207
Energy: 1.2324644026412186
Energy: 1.232773748842193
Energy: 1.2315650976140595
Energy: 1.3051272454150311
Energy: 1.2315650976146582
Energy: 1.2324294778054523
Energy: 1.2332023318745762
Energy: 1.6679248835701121
Energy: 1.2332023318751746
Energy: 1.4871437354018286
Energy: 1.2951094889660504
Energy: 1.2854428810181084
Energy: 1.2951094889636565
Energy: 1.4885384163631175
Energy: 1.2597333531163648
Energy: 1.2603378205191216
Energy: 1.2597333531169632
Energy: 1.4782143289840564
Energy: 1.2596395834618161
Energy: 1.2599943438744943
Energy: 1.2596395834618161
Energy: 1.2844332078770815
Energy: 1.258036997841445
Energy: 1.2579044968640616
Energy: 1.258036997842642

minimum gb energy = 1.2311203199724747 eV
minimum distance =  2.55286290490172 Angstroms
sigma value = 1


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

Energy: 1.6977217501359982
Energy: 1.1782092211274837
Energy: 1.437641432317872
Energy: 1.1782092211291386
Energy: 1.361075115091753
Energy: 1.2063679254948927
Energy: 1.5241608174477788
Energy: 1.2063679254948927
Energy: 1.3933759615225116
Energy: 1.3276856848268481
Energy: 1.525545704331783
Energy: 1.3276856848260206
Energy: 1.3760022036334039
Energy: 1.3271968848731894
Energy: 1.5111254455599552
Energy: 1.3271968848731894
Energy: 1.3780939611862115
Energy: 1.212830923985739
Energy: 1.3791293362119148
Energy: 1.212830923987394
Energy: 1.2130190571575477
Energy: 1.2129911091206769
Energy: 1.3788544719663496
Energy: 1.2129911091198493
Energy: 1.212847363757033
Energy: 1.2121830272008702
Energy: 1.5125925574947001
Energy: 1.2121830271992151
Energy: 1.224166526551261
Energy: 1.2190447261240505
Energy: 1.644365234647594
Energy: 1.2190447261240505
Energy: 1.2271573826631037
Energy: 1.2705354552985313
Energy: 1.643780113369368
Energy: 1.2705354553001864
Energy: 1.6379794079387695
Energy: 1.1624896601905204
Energy: 1.3189710140409678
Energy: 1.1624896601896928
Energy: 1.2258595450653202
Energy: 1.1602422579284573
Energy: 1.3196953498916018
Energy: 1.1602422579284573
Energy: 1.7705446831894933
Energy: 1.1592111245700845
Energy: 1.3177298521397565
Energy: 1.1592111245700845
Energy: 1.7713847701615224
Energy: 1.1600323934342491
Energy: 1.3179467868408454
Energy: 1.1600323934334218
Energy: 1.2229287911490037
Energy: 1.2843056485751032
Energy: 1.624707865276724
Energy: 1.2843056485742756
Energy: 1.3767662831013183
Energy: 1.2810952835620038
Energy: 1.624422417388786
Energy: 1.281095283559521
Energy: 1.3742675304323124
Energy: 1.2141588453097774
Energy: 1.5127944563665099
Energy: 1.21415884531226
Energy: 1.2137814420946154
Energy: 1.2131667944135847
Energy: 1.380776703981696
Energy: 1.2131667944119298
Energy: 1.2173979703203286
Energy: 1.221525428040982
Energy: 1.367108849973038
Energy: 1.2215254280393268
Energy: 1.2128238898339279
Energy: 1.212086863695427
Energy: 1.6436166842657391
Energy: 1.2120868636946185
Energy: 1.2140809498530636
Energy: 1.2206735294230646
Energy: 1.644329151807063
Energy: 1.2206735294238922
Energy: 1.6370842649718966
Energy: 1.2032984447357462
Energy: 1.5112997408554198
Energy: 1.2032984447357462
Energy: 1.6375397885157124
Energy: 1.2047355292155701
Energy: 1.2055584481058486
Energy: 1.2047355292163975
Energy: 1.3778733336593048
Energy: 1.202109907416858
Energy: 1.2032908355158578
Energy: 1.202109907416858
Energy: 1.6426898079225227
Energy: 1.2016964503082879
Energy: 1.2019372798549322
Energy: 1.2016964503082879

minimum gb energy = 1.1592111245700845 eV
minimum distance =  2.54731635949962 Angstroms
sigma value = 17


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

Energy: 1.3071028927922455
Energy: 1.1440198411464828
Energy: 1.4173186205987471
Energy: 1.1440198411459714
Energy: 1.186231685374035
Energy: 1.1695985659994448
Energy: 1.36607837474768
Energy: 1.1695985659994448
Energy: 1.5390893262791663
Energy: 1.1648506018873144
Energy: 1.3695861355129348
Energy: 1.1648506018878257
Energy: 1.533871925711874
Energy: 1.2264258169031195
Energy: 1.3604451325120066
Energy: 1.226425816904654
Energy: 1.3414641382568993
Energy: 1.1446056797925803
Energy: 1.417134131689566
Energy: 1.1446056797936033
Energy: 1.1463430808890922
Energy: 1.144144440604456
Energy: 1.5420642654175354
Energy: 1.1441444406054788
Energy: 1.1449271302744828
Energy: 1.1437423961537274
Energy: 1.1861459274468629
Energy: 1.1437423961542388
Energy: 1.1478566417745077
Energy: 1.1451328139961268
Energy: 1.2940505420078539
Energy: 1.1451328139945922
Energy: 1.5479835478343078
Energy: 1.143762202710341
Energy: 1.5404728712898634
Energy: 1.143762202709318
Energy: 1.371074452930532
Energy: 1.2303429094636722
Energy: 1.3615532022860772
Energy: 1.2303429094652067
Energy: 1.545144986499412
Energy: 1.1636914843525747
Energy: 1.182584092995879
Energy: 1.1636914843520632
Energy: 1.5516550716184854
Energy: 1.163636761746188
Energy: 1.362612894064965
Energy: 1.163636761746188
Energy: 1.4186593772108391
Energy: 1.1628679906921104
Energy: 1.1649624027462635
Energy: 1.1628679906915986
Energy: 1.368335872621185
Energy: 1.1644025372404854
Energy: 1.1661682729767473
Energy: 1.1644025372404854
Energy: 1.5455805806609768
Energy: 1.1673219645067292
Energy: 1.1694590982776543
Energy: 1.1673219645062176
Energy: 1.5481468476284166
Energy: 1.1657948483172362
Energy: 1.1676211885006633
Energy: 1.1657948483167246
Energy: 1.165715250028624
Energy: 1.171250297584137
Energy: 1.409547413697757
Energy: 1.171250297584137
Energy: 1.1641259410317035
Energy: 1.163471638852395
Energy: 1.547795191775538
Energy: 1.163471638852395
Energy: 1.1659213939197681
Energy: 1.1671576339246421
Energy: 1.3646236589957101
Energy: 1.1671576339246421
Energy: 1.1672778581483403
Energy: 1.1638915956561129
Energy: 1.279526179984664
Energy: 1.1638915956545786
Energy: 1.3677827317970686
Energy: 1.1669517479853886
Energy: 1.3421635572543495
Energy: 1.1669517479848772
Energy: 1.3689770114788165
Energy: 1.1690919148080514
Energy: 1.5421143289751205
Energy: 1.1690919148259535
Energy: 1.3609507794999087
Energy: 1.223918382575154
Energy: 1.5335037176844224
Energy: 1.2239183825746425
Energy: 1.4236035390625836
Energy: 1.1457384638643207
Energy: 1.3410568508420673
Energy: 1.1457384638648322
Energy: 1.552143939318284
Energy: 1.143944340940329
Energy: 1.14566867536071
Energy: 1.1439443409382832
Energy: 1.3615640639073663
Energy: 1.1447946258615622
Energy: 1.14709028474208
Energy: 1.1447946258630968
Energy: 1.2797751328898632
Energy: 1.1448088142891728
Energy: 1.1467822701179888
Energy: 1.1448088142896842
Energy: 1.3642633262940067
Energy: 1.144480784689186
Energy: 1.5496664495467827
Energy: 1.1444807846886744
Energy: 1.363999478223147
Energy: 1.2256706308635983
Energy: 1.3690314452093935
Energy: 1.225670630863087
Energy: 1.1835916619347913
Energy: 1.1637705697058118
Energy: 1.5439965223185455
Energy: 1.1637705697001857
Energy: 1.3608929229896547
Energy: 1.162923275775176
Energy: 1.5418336061326685
Energy: 1.1629232757772219
Energy: 1.163861558938565
Energy: 1.1629472113202648
Energy: 1.5426654446663117
Energy: 1.162947211320776
Energy: 1.1640154987153803
Energy: 1.1632943650538696
Energy: 1.3693592514373965
Energy: 1.1632943650548924
Energy: 1.1778667133166645
Energy: 1.1689363688483037
Energy: 1.5322303621183655
Energy: 1.1689363688472805
Energy: 1.3736062109880358
Energy: 1.1986392198961882
Energy: 1.5481619433751987
Energy: 1.1986392198961882
Energy: 1.4086435239122352
Energy: 1.165992208364203
Energy: 1.1666285643459509
Energy: 1.165992208364203
Energy: 1.5470909045218917
Energy: 1.1631516040728278
Energy: 1.1633632554409832
Energy: 1.1631516040723164
Energy: 1.5395527879815516
Energy: 1.1642555226809306
Energy: 1.1663006308715114
Energy: 1.1642555226804192

minimum gb energy = 1.1437423961537274 eV
minimum distance =  2.55768440258637 Angstroms
sigma value = 89


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

Energy: 2.3364417929773076
Energy: 1.0583309970042634
Energy: 1.0669576172852073
Energy: 1.058330997004674
Energy: 1.0586887680273047
Energy: 1.1660632183981312
Energy: 1.0683971498039473
Energy: 1.1660632183978572
Energy: 1.0622463848825414
Energy: 1.1657521450025639
Energy: 1.0672412979297754
Energy: 1.1657521450026858
Energy: 1.0591727358269598
Energy: 1.1575687081407915
Energy: 1.0628924695828956
Energy: 1.1575687081407915
Energy: 1.062534449859406
Energy: 1.065246354294875
Energy: 1.0760872081474655
Energy: 1.0652463542949966
Energy: 1.0664846146655296
Energy: 1.062908178195158
Energy: 1.0749267168072425
Energy: 1.062908178195021
Energy: 1.0630166372445014
Energy: 1.061659197809511
Energy: 1.064205364729553
Energy: 1.0616591978097696
Energy: 1.0621391260188386
Energy: 1.0638521541660546
Energy: 1.0581621825660381
Energy: 1.0638521541657806
Energy: 1.0673095388388343
Energy: 1.0615729405501668
Energy: 1.0569667016084279
Energy: 1.0615729405502885
Energy: 1.066323104467753
Energy: 1.156393930427718
Energy: 1.067013985330549
Energy: 1.1563939304278548
Energy: 1.0644618399675339
Energy: 1.1553318559367072
Energy: 1.0565823632232125
Energy: 1.1553318559368437
Energy: 1.0593796674471927
Energy: 1.0616212809087142
Energy: 1.065458089065599
Energy: 1.0616212809087142
Energy: 1.0769184909332625
Energy: 1.064694980115396
Energy: 1.0626025372214234
Energy: 1.0646949801149854
Energy: 1.0634829397983676
Energy: 1.0609814816140324
Energy: 1.0616898758918814
Energy: 1.0609814816138956
Energy: 1.0561856724295915
Energy: 1.0649594450199587
Energy: 1.0678302352912368
Energy: 1.064959445019548

minimum gb energy = 1.0561856724295915 eV
minimum distance =  2.58026517576265 Angstroms
sigma value = 13


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

Energy: 2.0399973379867413
Energy: 0.9708078405138328
Energy: 1.2711059084761196
Energy: 0.970807840512711
Energy: 0.9822732486959858
Energy: 0.977555886694293
Energy: 1.1982343560451616
Energy: 0.9775558866954149
Energy: 0.9819727339600913
Energy: 0.9754100262672452
Energy: 1.2012963620792514
Energy: 0.9754100262644406
Energy: 1.420735091025198
Energy: 0.9741901459455367
Energy: 1.2006306585495943
Energy: 0.9741901459449757
Energy: 1.202261320044029
Energy: 0.9775468509347928
Energy: 1.2015708056065206
Energy: 0.9775468509387193
Energy: 1.201297004433641
Energy: 0.9769939905793514
Energy: 1.198687366863863
Energy: 0.9769939905815952
Energy: 1.2011697608265888
Energy: 0.97580258692819
Energy: 1.1986831997384966
Energy: 0.9758025869304339
Energy: 1.1992577713946027
Energy: 0.9756301954188545
Energy: 1.1989060046929851
Energy: 0.9756301954210983
Energy: 0.9750372772279166
Energy: 0.9738260585175746
Energy: 1.202675748297287
Energy: 0.9738260585186965
Energy: 0.9748311883111961
Energy: 0.9743003157866598
Energy: 1.2035375030794782
Energy: 0.9743003157810503
Energy: 0.9773102219154921
Energy: 0.9748253931829574
Energy: 0.9827011187069309
Energy: 0.9748253931812747
Energy: 1.1988644299151168
Energy: 1.0306390602944615
Energy: 1.2015385264258809
Energy: 1.030639060291096
Energy: 1.20340452528503
Energy: 1.0289895043221138
Energy: 1.1975387153328125
Energy: 1.0289895043232355
Energy: 1.2004518882725381
Energy: 1.0290508469416264
Energy: 1.4095076336627093
Energy: 1.0290508469393824
Energy: 1.199448589586995
Energy: 0.9750353476293272
Energy: 1.2013428988727537
Energy: 0.9750353476293272
Energy: 1.1994704634060163
Energy: 0.9776253591759029
Energy: 0.9844920146388202
Energy: 0.9776253591714154
Energy: 1.1981328922624614
Energy: 0.9759300663016313
Energy: 0.976015666107167
Energy: 0.9759300663010704
Energy: 0.9880609786283607
Energy: 0.975607916608139
Energy: 0.9782595909688089
Energy: 0.975607916607578
Energy: 1.4078274706719647
Energy: 0.973911689205937
Energy: 1.1965235245163646
Energy: 0.9739116892093027
Energy: 1.2028274463504518
Energy: 0.974471585395451
Energy: 1.202544454200266
Energy: 0.9744715853926462
Energy: 1.5082033390903877
Energy: 0.9754577544740031
Energy: 1.1975190224463432
Energy: 0.9754577544740031
Energy: 1.2023497683283217
Energy: 0.9754685428798976
Energy: 1.1981733878376792
Energy: 0.9754685428815802
Energy: 1.196338573282622
Energy: 0.9746309342577516
Energy: 1.2027789748889213
Energy: 0.9746309342611171
Energy: 0.9813807144571842
Energy: 0.974316368072264
Energy: 1.2000116511991785
Energy: 0.974316368071703
Energy: 1.1980631824422767
Energy: 0.9744888200565309
Energy: 1.1997149950685695
Energy: 0.9744888200643841
Energy: 0.9760244516692188
Energy: 0.9750095069398084
Energy: 1.1997103912380584
Energy: 0.9750095069414911
Energy: 0.9749465208548983
Energy: 0.9741350722017826
Energy: 1.2006641814583332
Energy: 0.9741350722034653
Energy: 0.9754927587178254
Energy: 0.9740920568310352
Energy: 0.9873690110472079
Energy: 0.9740920568338398
Energy: 1.196792474123503
Energy: 0.9752873661516521
Energy: 1.4085433257231423
Energy: 0.9752873661494084
Energy: 1.2038458944902144
Energy: 1.0291335950993774
Energy: 1.1969968124930683
Energy: 1.0291335950993774
Energy: 1.4115848661416825
Energy: 1.0311051706508536
Energy: 1.410033072104921
Energy: 1.0311051706508536
Energy: 1.202763310436792
Energy: 0.9768833988910433
Energy: 1.1966238990099587
Energy: 0.9768833988893604
Energy: 1.1992786573935663
Energy: 0.9740961281121987
Energy: 0.9748371427972036
Energy: 0.9740961281077112
Energy: 1.413271868632113
Energy: 0.9744893043063414
Energy: 0.9752838264487224
Energy: 0.9744893043119508
Energy: 1.408620436357437
Energy: 0.9741783678106565
Energy: 0.9757552876344399
Energy: 0.9741783678112175

minimum gb energy = 0.970807840512711 eV
minimum distance =  2.57583248072353 Angstroms
sigma value = 37


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

Energy: 2.01361288739686
Energy: 0.8856827195147651
Energy: 0.8959646470949242
Energy: 0.8856827195157303
Energy: 1.0749787376364561
Energy: 0.8980544835735059
Energy: 1.2648990355919836
Energy: 0.8980544835735059
Energy: 1.4506855375268277
Energy: 0.89588785665966
Energy: 1.2711075557619809
Energy: 0.895887856660625
Energy: 1.4500858097608145
Energy: 0.9998296202185233
Energy: 1.2638745943182443
Energy: 0.9998296202194886
Energy: 1.258961052386978
Energy: 0.8777247021919687
Energy: 1.43945435235119
Energy: 0.8777247021919687
Energy: 1.0725941179121106
Energy: 0.8809079544455986
Energy: 1.072939360367033
Energy: 0.8809079544455986
Energy: 1.0768027563259162
Energy: 0.8802388542454607
Energy: 1.2524683315191827
Energy: 0.8802388542444955
Energy: 1.2592739800986466
Energy: 0.8819756430707657
Energy: 1.0830560579344866
Energy: 0.8819756430717309
Energy: 1.0758081171465945
Energy: 0.8765851381039663
Energy: 1.0844153956276024
Energy: 0.8765851381039663
Energy: 1.0748753922898944
Energy: 0.8769285581329057
Energy: 0.8764870701497792
Energy: 0.8769285581329057
Energy: 1.092606551240002
Energy: 1.091889437453189
Energy: 1.7878224335592303
Energy: 1.091889437454154
Energy: 1.4420773910305713
Energy: 0.8768455630165871
Energy: 0.8827158597147571
Energy: 0.8768455630156221
Energy: 1.4421850267054253
Energy: 0.8764435079313754
Energy: 1.4507332240205626
Energy: 0.8764435079323404
Energy: 1.0859741834575385
Energy: 0.9841526066346453
Energy: 1.45011567957802
Energy: 0.9841526066346453
Energy: 1.439454352350225
Energy: 0.9826137061295545
Energy: 0.8770047489418696
Energy: 0.9826137061276243
Energy: 1.0729393603728232
Energy: 0.9843500318957291
Energy: 0.8786680113002147
Energy: 0.984350031894764
Energy: 1.6276966185287312
Energy: 0.9828311524301495
Energy: 1.0768125262156305
Energy: 0.9828311524311146
Energy: 1.0830558921674076
Energy: 0.8973639694377394
Energy: 0.9041958301063457
Energy: 0.8973639694377394
Energy: 1.0844153955648943
Energy: 0.8958831287305878
Energy: 0.8964406508292405
Energy: 0.8958831287296228
Energy: 1.2606307212375354
Energy: 0.8982923949865695
Energy: 0.8960862339590564
Energy: 0.8982923949827092

minimum gb energy = 0.8764435079313754 eV
minimum distance =  2.56796555253979 Angstroms
sigma value = 25


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

Energy: 1.795029356215948
Energy: 0.7680339081294473
Energy: 0.7686928528558393
Energy: 0.7680339081287108
Energy: 1.5063928087059577
Energy: 0.7693444647608404
Energy: 1.074941049047928
Energy: 0.7693444647631013
Energy: 1.7719077358729907
Energy: 0.7677282571831826
Energy: 1.078167061371282
Energy: 0.7677282571846897
Energy: 1.5053051933721298
Energy: 0.770594753237643
Energy: 1.2720921889149044
Energy: 0.7705947532361358
Energy: 1.3731820657709501
Energy: 0.8538806318507576
Energy: 1.6381566598842423
Energy: 0.8538806318522648
Energy: 1.5081357385904495
Energy: 0.8522631958935842
Energy: 1.6416238555275096
Energy: 0.8522631958950915
Energy: 1.5052864249957494
Energy: 0.7624237915484546
Energy: 1.3753234091246433
Energy: 0.7624237915469644
Energy: 1.0608939776317627
Energy: 0.7598274248808173
Energy: 1.7641865382717608
Energy: 0.7598274248823245
Energy: 1.0652470917732122
Energy: 0.7599210245679942
Energy: 1.3725754249652562
Energy: 0.7599210245672406
Energy: 1.0623224598212504
Energy: 0.7605572235087797
Energy: 1.8925928754735997
Energy: 0.7605572235087797
Energy: 0.9209086080091627
Energy: 0.7594594956166718
Energy: 1.992790778671833
Energy: 0.7594594956166718
Energy: 0.9191866106106505
Energy: 0.7607664060777951
Energy: 1.8925686057212976
Energy: 0.7607664060762879
Energy: 0.9201970034116177
Energy: 0.7616763891076224
Energy: 1.372407885923736
Energy: 0.7616763891098832
Energy: 0.92797397642165
Energy: 0.7601715737263476
Energy: 1.88964057599229
Energy: 0.7601715737255939
Energy: 1.227832024871157
Energy: 0.7581413920228531
Energy: 1.375460510277789
Energy: 0.7581413920243603
Energy: 1.225748693872939
Energy: 0.7591420984739128
Energy: 1.7752399353984665
Energy: 0.7591420984731593
Energy: 1.3735633661876159
Energy: 0.7614094102553135
Energy: 1.770251079194016
Energy: 0.7614094102515456
Energy: 1.2257745490035352
Energy: 0.8423443877043818
Energy: 1.3720612881568715
Energy: 0.8423443877051354
Energy: 1.6286342272341423
Energy: 0.8420927533468657
Energy: 1.5109871868765157
Energy: 0.8420927533476192
Energy: 1.3744058136719997
Energy: 0.8421971875823031
Energy: 1.508294791192758
Energy: 0.8421971875807959
Energy: 1.763988265211291
Energy: 0.8422975283763173
Energy: 1.0767621361884547
Energy: 0.8422975283763173
Energy: 1.3763022027938232
Energy: 0.7668848444455942
Energy: 0.9255468277944728
Energy: 0.7668848444463477
Energy: 1.510376620272254
Energy: 0.7677944911039983
Energy: 1.0714134690029269
Energy: 0.7677944911017376
Energy: 1.7644680496567984
Energy: 0.7678367210834479
Energy: 0.7682632747501835
Energy: 0.7678367210857088
Energy: 1.628885627002745
Energy: 0.7675176025101401
Energy: 0.7686899394743567
Energy: 0.7675176025093865
Energy: 1.7731805652569104
Energy: 0.7722666930256913
Energy: 0.76813513081251
Energy: 0.772266693024201

minimum gb energy = 0.7581413920228531 eV
minimum distance =  2.57595872623001 Angstroms
sigma value = 41


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

Energy: 2.089486920129305
Energy: 0.6755276232852778
Energy: 1.0117804068745955
Energy: 0.6755276232858957
Energy: 1.641430114216718
Energy: 0.6742055119151746
Energy: 0.9324687689908683
Energy: 0.6742055119145569
Energy: 2.068994457971447
Energy: 0.6741587487604952
Energy: 0.9329894442329733
Energy: 0.6741587487592595
Energy: 1.639112459576325
Energy: 0.6748378958177287
Energy: 1.2008859503222786
Energy: 0.674837895816493
Energy: 1.6461545364396246
Energy: 0.6727593395731597
Energy: 1.4209813650478083
Energy: 0.6727593395731597
Energy: 1.6438411898247403
Energy: 0.6751063011848782
Energy: 1.4181438486992946
Energy: 0.6751063011842604
Energy: 1.6473319711688135
Energy: 0.7453299672361585
Energy: 1.6455842130043898
Energy: 0.7453299672361585
Energy: 1.4241368588482284
Energy: 0.7473637634979158
Energy: 1.4232144735704075
Energy: 0.7473637634837058
Energy: 1.1920399442731802
Energy: 0.673794497679957
Energy: 1.8573730877275578
Energy: 0.6737944976793393
Energy: 1.1903882583962573
Energy: 0.6729673847785418
Energy: 1.6472264402841366
Energy: 0.6729673847785418
Energy: 0.9414148825393676
Energy: 0.6769502486663588
Energy: 1.852777041064771
Energy: 0.676950248669448
Energy: 0.9343280360959306
Energy: 0.6729323753366582
Energy: 1.6470297298456706
Energy: 0.6729323753366582
Energy: 0.9325200147466534
Energy: 0.6742852850834526
Energy: 1.8546746359992523
Energy: 0.6742852850840706
Energy: 0.6770698825473246
Energy: 0.6751862703631674
Energy: 1.8519353903619598
Energy: 0.6751862703625496
Energy: 0.6743081368749715
Energy: 0.6742256799935047
Energy: 1.645841393191892
Energy: 0.6742256799941226
Energy: 0.6745690017816816
Energy: 0.6733825627458176
Energy: 2.07134899015526
Energy: 0.6733825627470533
Energy: 0.93515721510835
Energy: 0.67385881428913
Energy: 2.0626797188523596
Energy: 0.6738588142773912
Energy: 0.9354699679466791
Energy: 0.6732413049510035
Energy: 1.6475924530506134
Energy: 0.6732413049510035
Energy: 0.934508247212786
Energy: 0.6750440738251748
Energy: 1.645435474132341
Energy: 0.6750440738251748
Energy: 1.417842243707005
Energy: 0.6736923808407244
Energy: 1.643657535988189
Energy: 0.6736923808425779
Energy: 1.4168462845427607
Energy: 0.6736809332833591
Energy: 1.646977025791568
Energy: 0.6736809332858303
Energy: 1.4186527619786748
Energy: 0.7450863740742708
Energy: 1.6492802292678341
Energy: 0.7450863740742708
Energy: 1.8576130017781702
Energy: 0.742475447190934
Energy: 1.641744474832602
Energy: 0.7424754471896984
Energy: 1.4221657166328936
Energy: 0.7456775259147542
Energy: 1.4173425471726413
Energy: 0.7456775259215503
Energy: 1.6470227657978411
Energy: 0.6735281364222604
Energy: 1.1972073010948852
Energy: 0.6735281364222604
Energy: 1.8580178257848898
Energy: 0.6731956926219193
Energy: 1.4162416585609936
Energy: 0.6731956926219193
Energy: 1.8618613104245816
Energy: 0.6754126320835626
Energy: 0.9340980617129625
Energy: 0.6754126320841806
Energy: 1.6452543066307332
Energy: 0.6736172574728556
Energy: 0.9358470867662848
Energy: 0.6736172574740913
Energy: 1.8600738946055686
Energy: 0.6754232856385067
Energy: 0.9376742618530033
Energy: 0.6754232856385067
Energy: 1.8578779701970831
Energy: 0.6739273853865423
Energy: 0.6754414337246557
Energy: 0.6739273853859243
Energy: 1.6478753924543457
Energy: 0.6739614732976842
Energy: 0.6736564299044784
Energy: 0.6739614732964486
Energy: 2.0626983676354604
Energy: 0.6746515787116611
Energy: 0.6760790062522495
Energy: 0.6746515787116611

minimum gb energy = 0.6727593395731597 eV
minimum distance =  2.58755830638978 Angstroms
sigma value = 15


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

Energy: 1.8365868605956883
Energy: 0.6106035389600835
Energy: 0.9517424582508408
Energy: 0.6106035389606068
Energy: 1.8240491910372842
Energy: 0.6091297145494264
Energy: 0.8309755587624043
Energy: 0.6091297145494264
Energy: 2.1895446232552875
Energy: 0.6104606520042761
Energy: 0.8320951617784454
Energy: 0.6104606520037528
Energy: 1.833649978348164
Energy: 0.6106848464226161
Energy: 1.2560817487834788
Energy: 0.6106848464220928
Energy: 1.8286703667710618
Energy: 0.6078092582669217
Energy: 1.2532184045825643
Energy: 0.6078092582648281
Energy: 1.8283537259569107
Energy: 0.6086388302038003
Energy: 1.2492190233609397
Energy: 0.6086388302017067
Energy: 1.4480105291794383
Energy: 0.6101834599183045
Energy: 1.6360541933855368
Energy: 0.6101834598278063
Energy: 1.6392459486815043
Energy: 0.6713282881101091
Energy: 1.2548098901025788
Energy: 0.6713282881163898
Energy: 1.4472790824246875
Energy: 0.667208283352534
Energy: 1.6343628851126593
Energy: 0.6672082833514873
Energy: 1.4456369347629618
Energy: 0.6670046159117706
Energy: 1.830055411615577
Energy: 0.6670046159023496
Energy: 1.2555911495305943
Energy: 0.6118631819011277
Energy: 1.6449115914792716
Energy: 0.611863181914712
Energy: 1.0555677879923524
Energy: 0.6075598720139642
Energy: 2.00651249793921
Energy: 0.6075598720071601
Energy: 1.2506553044335893
Energy: 0.6096560005959594
Energy: 2.0070608559413663
Energy: 0.6096560006001465
Energy: 0.838218512039511
Energy: 0.6104305956613134
Energy: 1.6418178469716902
Energy: 0.6104305956628837
Energy: 0.833592560776323
Energy: 0.6085708334376441
Energy: 1.8286444221942633
Energy: 0.6085708334376441
Energy: 0.8345570897655439
Energy: 0.6100788301309817
Energy: 2.0077889939383233
Energy: 0.6100788301288882
Energy: 0.6109740839175267
Energy: 0.6098112478662697
Energy: 2.0127810172807306
Energy: 0.6098112478646996
Energy: 0.6082434237937421
Energy: 0.6083627299683847
Energy: 1.828774190057458
Energy: 0.608362729967338
Energy: 0.610149897637674
Energy: 0.6098252145157553
Energy: 1.8290949205009581
Energy: 0.6098252145147085
Energy: 0.8381138912007383
Energy: 0.6108510662569896
Energy: 2.1910052708305217
Energy: 0.6108510662569896
Energy: 0.8350256417418735
Energy: 0.6084446377073314
Energy: 1.8292365975042757
Energy: 0.6084446377073314
Energy: 0.8376909316248169
Energy: 0.6099297353217222
Energy: 1.832237077793155
Energy: 0.6099297353285262
Energy: 1.2491906169262745
Energy: 0.6103214894004836
Energy: 1.8252696494840186
Energy: 0.6103214893952497
Energy: 1.253222366494945
Energy: 0.6077789545030188
Energy: 1.8316957278931711
Energy: 0.6077789545050887
Energy: 1.2573028125938233
Energy: 0.6112360825124886
Energy: 1.4521155858444366
Energy: 0.6112360825103951
Energy: 1.6376282140618035
Energy: 0.6668037831545331
Energy: 1.8303195516345256
Energy: 0.6668037831372614
Energy: 1.2513540944997754
Energy: 0.6677525242007638
Energy: 1.6359602931122785
Energy: 0.6677525241772351
Energy: 1.640997783620928
Energy: 0.671851126838385
Energy: 1.4516767899998857
Energy: 0.6718511268472827
Energy: 1.6382662795240632
Energy: 0.6096593808212997
Energy: 1.6367242135319646
Energy: 0.6096593808202528
Energy: 1.6370280690023067
Energy: 0.6090228780186947
Energy: 1.2506597632794452
Energy: 0.6090228780171245
Energy: 1.8295684030345603
Energy: 0.6076971617396766
Energy: 1.055460128708359
Energy: 0.6076971617412467
Energy: 1.6408782248504339
Energy: 0.6100266040735843
Energy: 1.2548423232000543
Energy: 0.6100266040557891
Energy: 2.0079855243582028
Energy: 0.610992526180453
Energy: 0.8317701202819443
Energy: 0.6109925261814997
Energy: 2.005801928849715
Energy: 0.6103867377286631
Energy: 0.8320690590156007
Energy: 0.6103867377297099
Energy: 2.001979559242943
Energy: 0.6103984983263234
Energy: 0.6132663922093834
Energy: 0.6103984983263234
Energy: 2.003862348965935
Energy: 0.6090007870117137
Energy: 0.6109655545776588
Energy: 0.609000787012237
Energy: 2.1865777676674716
Energy: 0.6094489259994406
Energy: 0.6114656775626034
Energy: 0.6094489259994406

minimum gb energy = 0.6075598720071601 eV
minimum distance =  2.58254783963499 Angstroms
sigma value = 85


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

Energy: 1.9752218390200087
Energy: 0.5420216250057194
Energy: 0.5458921627688316
Energy: 0.5420216250057194
Energy: 1.9480237010868362
Energy: 0.5443027931346686
Energy: 0.7412225463236136
Energy: 0.5443027931337606
Energy: 1.9486639790018534
Energy: 0.5461766847353704
Energy: 0.7415891182085471
Energy: 0.5461766847353704
Energy: 1.614951533614079
Energy: 0.5482210761716872
Energy: 1.1121459409382295
Energy: 0.5482210761471955
Energy: 1.9518388494981103
Energy: 0.5433551879653984
Energy: 1.113973241896477
Energy: 0.5433551879681221
Energy: 1.619992621837443
Energy: 0.544842587806546
Energy: 1.1118268029518672
Energy: 0.5448425878129012
Energy: 1.6174705025975982
Energy: 0.5464223241677745
Energy: 1.45569534534447
Energy: 0.5464223241382894
Energy: 1.7902036037861935
Energy: 0.5437749785451943
Energy: 1.1076734258883503
Energy: 0.5437749785402011
Energy: 1.6199820620463719
Energy: 0.5439820651734925
Energy: 1.452236985940427
Energy: 0.5439820651812093
Energy: 1.6200709498302899
Energy: 0.6483466885482202
Energy: 1.7840046513998997
Energy: 0.6483466885504898
Energy: 1.452778587674483
Energy: 0.6481379604237764
Energy: 1.4502808259363036
Energy: 0.6481379604260461
Energy: 1.2818270529172286
Energy: 0.543777895522024
Energy: 1.7841136553085863
Energy: 0.5437778955202083
Energy: 1.4526144098075302
Energy: 0.5436951547924831
Energy: 1.78511279133081
Energy: 0.5436951547874899
Energy: 1.1118286312459988
Energy: 0.5458726841439331
Energy: 1.4473841460623311
Energy: 0.5458726841430253
Energy: 0.9357782233625092
Energy: 0.5435966195587595
Energy: 1.952232634240797
Energy: 0.5435966195542407
Energy: 1.113929423452124
Energy: 0.5450719386034589
Energy: 1.7860471400411544
Energy: 0.5450719386025511
Energy: 0.7414614529054803
Energy: 0.5454256344547088
Energy: 1.7818636626104416
Energy: 0.5454256344551627
Energy: 0.7442604088916549
Energy: 0.5441896621486079
Energy: 1.9511680752034115
Energy: 0.5441896621499697
Energy: 0.7435093162736726
Energy: 0.544811654714603
Energy: 1.9473176894194082
Energy: 0.5448116547132411
Energy: 0.5495072742532995
Energy: 0.5441062080487887
Energy: 1.9484457596732183
Energy: 0.5441062080496966
Energy: 0.5447229788917536
Energy: 0.5439618898679587
Energy: 1.9532481413309881
Energy: 0.5439618898670509
Energy: 0.5451129104639351
Energy: 0.5451371864464393
Energy: 1.9448646343878
Energy: 0.5451371864459853
Energy: 0.7449866196306146
Energy: 0.5477567604924896
Energy: 1.9476628734996768
Energy: 0.5477567604929435
Energy: 0.7431742803408159
Energy: 0.5437795701683017
Energy: 1.9536351866871289
Energy: 0.5437795701683017
Energy: 0.743725870517219
Energy: 0.5464207704824583
Energy: 1.6148445869066048
Energy: 0.5464207704820044
Energy: 1.111475517611847
Energy: 0.5444751053783177
Energy: 1.94779845102997
Energy: 0.5444751053787716
Energy: 1.112974713026497
Energy: 0.5435459589148253
Energy: 1.9483409921878332
Energy: 0.5435459589152792
Energy: 1.111824996568485
Energy: 0.5468238994651227
Energy: 1.6177622149125477
Energy: 0.5468238994660305
Energy: 1.4527527331775307
Energy: 0.5435185532462367
Energy: 1.9523347697282463
Energy: 0.5435185532557691
Energy: 1.4538866730683104
Energy: 0.5437246833749517
Energy: 1.6206590252849424
Energy: 0.5437246833749517
Energy: 1.6255645317286762
Energy: 0.6481358673496126
Energy: 1.2780745854521967
Energy: 0.6481358673491585
Energy: 1.4503639247405373
Energy: 0.6481613479447857
Energy: 1.6252623929816865
Energy: 0.6481613479710934
Energy: 1.786306254021413
Energy: 0.5438968084186151
Energy: 1.2825437558502728
Energy: 0.5438968078659712
Energy: 1.952587154676666
Energy: 0.5433875048961109
Energy: 1.2839570643338827
Energy: 0.5433875040979919
Energy: 1.44715111997479
Energy: 0.5475752958215185
Energy: 1.1116937464685337
Energy: 0.5475752958219725
Energy: 1.9518744208500403
Energy: 0.5434630441780207
Energy: 1.1132813885634845
Energy: 0.5434630441775669
Energy: 1.9485304540596493
Energy: 0.5447747522653069
Energy: 1.1117760393760292
Energy: 0.5447747522625834
Energy: 1.7819194439040102
Energy: 0.5448776410061
Energy: 0.7432319844672444
Energy: 0.5448776410056461
Energy: 1.9517944591944405
Energy: 0.5435545163710956
Energy: 0.7431207308832252
Energy: 0.5435545163701878
Energy: 1.9476629765705673
Energy: 0.5448839938267304
Energy: 0.7449406934969118
Energy: 0.5448839938262764
Energy: 1.7791388736923452
Energy: 0.544879902320153
Energy: 0.545024071141814
Energy: 0.5448799023196991
Energy: 1.9515433208189568
Energy: 0.5437667717473686
Energy: 0.5440677336700573
Energy: 0.5437667717469146
Energy: 1.9447921707356486
Energy: 0.5443033408209328
Energy: 0.545077602289032
Energy: 0.5443033408213868

minimum gb energy = 0.5420216250057194 eV
minimum distance =  2.58283001121239 Angstroms
sigma value = 113


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

Energy: 0.0102143047557043
Energy: 0.010992395477774771
Energy: 1.728113776872295
Energy: 0.010992395478802267
Energy: 0.011218938151042895
Energy: 0.11822467803725402
Energy: 1.3378222986006256
Energy: 0.11822467803725402
Energy: 0.011007869829183397
Energy: 0.11929365151125736
Energy: 1.3303527943561868
Energy: 0.11929365151125736
Energy: 0.011872787235830752
Energy: 0.12057284482861434
Energy: 1.3347374647014751
Energy: 0.12057284482826539
Energy: 1.3375214316770547
Energy: 0.11940358112194792
Energy: 1.3386003428918494
Energy: 0.11940358112092042
Energy: 0.010824468154986252
Energy: 0.11916627311965083
Energy: 1.3360342178856877
Energy: 0.11916627311965083

minimum gb energy = 0.0102143047557043 eV
minimum distance =  2.84234648192485 Angstroms
sigma value = 1