Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657310605049
cohesive_energy=4.290337405585514
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013214630405398296
Energy: 0.013711354024513742
Energy: 2.5539039500682406
Energy: 0.013711354024513742
Energy: 0.013711354024513742
Energy: 0.013900018337469466
Energy: 0.557811869559062
Energy: 0.013900018337469466
Energy: 2.5539039500682406
Energy: 0.557811869559062
Energy: 0.013319512749467173
Energy: 0.557811869559062
Energy: 0.013711354024513742
Energy: 0.013900018337469466
Energy: 0.557811869559062
Energy: 0.013900018337469466

minimum gb energy = 0.013214630405398296 eV
minimum distance =  2.47519484473592 Angstroms
sigma value = 1


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

Energy: 1.4503123429622555
Energy: 1.238253632228029
Energy: 1.204825380474333
Energy: 1.238253632226817
Energy: 1.441711964041406
Energy: 0.8944246645273229
Energy: 0.9399937240875734
Energy: 0.8944246645273229
Energy: 1.5599157464649707
Energy: 0.9386132071250793
Energy: 0.916709005527458
Energy: 0.9386132071262915
Energy: 1.2542104741142075
Energy: 0.8962244966697219
Energy: 0.9392066346514747
Energy: 0.8962244966697219
Energy: 1.2506701182425823
Energy: 0.8963179826853435
Energy: 1.3043970372431268
Energy: 0.8963179826853435
Energy: 1.456254622623416
Energy: 0.9012395510661892
Energy: 0.9011596395242832
Energy: 0.9012395510661892
Energy: 1.0837817508030452
Energy: 0.901488909026833
Energy: 0.9013019594137442
Energy: 0.901488909026833
Energy: 0.8973507988362084
Energy: 0.8982745489427068
Energy: 1.2958841198004316
Energy: 0.8982745489427068
Energy: 1.093658489631048
Energy: 0.8986944848536486
Energy: 1.2563754123625825
Energy: 0.8986944848536486
Energy: 1.5083345859351274
Energy: 0.9013479699107331
Energy: 1.090897834473583
Energy: 0.9013479699107331
Energy: 0.9151026190756335
Energy: 0.9612969048079917
Energy: 1.258269821823549
Energy: 0.9612969048067795
Energy: 0.9154667118625006
Energy: 0.9149773982902417
Energy: 1.9002405947100598
Energy: 0.9149773982902417
Energy: 1.104273641982728
Energy: 0.9610634614992011
Energy: 1.2546204851162903
Energy: 0.9610634614992011
Energy: 0.9356026669436406
Energy: 0.9624012131342472
Energy: 1.253752708304371
Energy: 0.9624012131342472
Energy: 0.9257533155206152
Energy: 0.8990704140063653
Energy: 1.4440464321862263
Energy: 0.8990704140051531
Energy: 0.9356673262496406
Energy: 0.8991573254129133
Energy: 1.4443007696402748
Energy: 0.8991573254129133
Energy: 0.9368100108931475
Energy: 0.9626955925631179
Energy: 1.2536613339892992
Energy: 0.9626955925631179
Energy: 1.1043269308189898
Energy: 0.9610943508430815
Energy: 1.2536145864703847
Energy: 0.9610943508455059
Energy: 0.9075351213325226
Energy: 0.9149248333098918
Energy: 1.929574444638961
Energy: 0.9149248333098918
Energy: 0.915117823867562
Energy: 0.9611738366507637
Energy: 1.0878230226328904
Energy: 0.9611738366519759
Energy: 1.5070437070857527
Energy: 0.9016930321293484
Energy: 1.0905881959277353
Energy: 0.9016930321305605
Energy: 1.0928621954672084
Energy: 0.8964678975814816
Energy: 1.2562632700679686
Energy: 0.8964678975814816
Energy: 1.0958100570294398
Energy: 0.8983949154324106
Energy: 1.0981613002936261
Energy: 0.8983949154336227
Energy: 1.2712542967946843
Energy: 0.9014041569416836
Energy: 0.9012967430871457
Energy: 0.9014041569416836
Energy: 1.4560059011975766
Energy: 0.9012746368503938
Energy: 0.9011174226205614
Energy: 0.9012746368503938
Energy: 1.2506061481909825
Energy: 0.8966962244278323
Energy: 1.3044270995723886
Energy: 0.8966962244290445
Energy: 1.251529950357748
Energy: 0.896389352207542
Energy: 0.9259499657244292
Energy: 0.896389352207542
Energy: 1.6640903038191053
Energy: 0.9386093131950043
Energy: 0.9172149672475277
Energy: 0.9386093131950043
Energy: 1.4420099431329736
Energy: 0.894372078837254
Energy: 0.9398998294815315
Energy: 0.8943720788384664
Energy: 1.265001640881131
Energy: 0.9003291605808711
Energy: 0.9385736132202598
Energy: 0.9003291605808711
Energy: 1.4431901530760038
Energy: 0.8942003188012363
Energy: 0.9272156287431742
Energy: 0.8942003188012363
Energy: 1.4553761611803904
Energy: 0.9128936084296664
Energy: 0.9171989160954861
Energy: 0.9128936084296664
Energy: 1.2506287661004925
Energy: 0.896470061565399
Energy: 0.9799488950600463
Energy: 0.896470061565399

minimum gb energy = 0.8942003188012363 eV
minimum distance =  2.34167724679126 Angstroms
sigma value = 1


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

Energy: 1.5831270023485091
Energy: 1.50543927249375
Energy: 0.9862891811456145
Energy: 1.50543927249375
Energy: 1.3242915144835032
Energy: 0.925138768998465
Energy: 1.0317239909752645
Energy: 0.925138768997083
Energy: 1.3512749882901722
Energy: 0.9682839765518058
Energy: 0.9683266691179065
Energy: 0.9682839765504236
Energy: 0.92298336029448
Energy: 0.9476452336964664
Energy: 1.0273183154086798
Energy: 0.9476452336950841
Energy: 0.9229873297722522
Energy: 0.9494538730461068
Energy: 1.4353338074561877
Energy: 0.9494538730461068
Energy: 1.3512231444058855
Energy: 0.9472549068702666
Energy: 0.947364134530782
Energy: 0.9472549068702666
Energy: 0.9705311218718808
Energy: 0.9958256380949749
Energy: 0.9473651415746306
Energy: 0.9958256380949749
Energy: 0.9474584787011168
Energy: 0.9470639504857166
Energy: 1.4351601203117952
Energy: 0.9470639504857166
Energy: 0.9687093952651914
Energy: 0.9231772989417873
Energy: 1.3538056716946874
Energy: 0.9231772989417873
Energy: 1.0275389261031398
Energy: 0.922533068245568
Energy: 0.9230628530919965
Energy: 0.922533068245568
Energy: 0.9485053541794721
Energy: 1.1133043252307135
Energy: 1.3547248944288084
Energy: 1.1133043252320958
Energy: 0.9479580849350652
Energy: 0.9475413517732085
Energy: 1.817279731499714
Energy: 0.9475413517745908
Energy: 1.0273551780291197
Energy: 0.9235002339408209
Energy: 1.3225448667480046
Energy: 0.923500233942203
Energy: 1.0273551780291197
Energy: 0.9235490753812323
Energy: 1.3225141427331004
Energy: 0.9235490753812323
Energy: 0.9481094200643045
Energy: 0.9475762244810002
Energy: 1.8160890951275426
Energy: 0.9475762244810002
Energy: 0.9486431748402714
Energy: 1.1132911689368425
Energy: 1.354422647414019
Energy: 1.1132911689354605
Energy: 1.0275389261031398
Energy: 0.9225136576971373
Energy: 0.9230696127611111
Energy: 0.9225136576971373
Energy: 0.9688160645089937
Energy: 0.9231545476604127
Energy: 1.3537607154696207
Energy: 0.9231545476604127
Energy: 0.9474638850410975
Energy: 0.9470521050561239
Energy: 1.4351601203117952
Energy: 0.9470521050561239
Energy: 0.97060908456488
Energy: 0.9959216180208156
Energy: 0.9473575008747384
Energy: 0.9959216180208156
Energy: 1.351226560497519
Energy: 0.947244308925416
Energy: 0.9473601184201075
Energy: 0.947244308925416
Energy: 0.9229917123078981
Energy: 0.9485288641436643
Energy: 1.4353338074534234
Energy: 0.9485288641436643
Energy: 0.923033879497958
Energy: 0.9474736624598565
Energy: 1.027318315407298
Energy: 0.9474736624598565
Energy: 1.351373442505589
Energy: 0.9682580866482756
Energy: 0.9683021592177536
Energy: 0.9682580866482756
Energy: 1.3242989530904805
Energy: 0.9250797476279082
Energy: 1.031723990973882
Energy: 0.9250797476279082
Energy: 1.5831270023485091
Energy: 1.50543927249375
Energy: 0.9862891637150807
Energy: 1.50543927249375
Energy: 1.3242915144835032
Energy: 0.925138768997083
Energy: 1.0317239909752645
Energy: 0.925138768998465
Energy: 1.3512749882901722
Energy: 0.9682839765504236
Energy: 0.9683266691179065
Energy: 0.9682839765504236
Energy: 0.9229833602930979
Energy: 0.9476452336964664
Energy: 1.027318315410062
Energy: 0.9476452336950841

minimum gb energy = 0.9225136576971373 eV
minimum distance =  2.33305662639644 Angstroms
sigma value = 25


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

Energy: 1.358893260378755
Energy: 1.1140022384466577
Energy: 1.0453516436320214
Energy: 1.1140022384482644
Energy: 1.4453964575292373
Energy: 0.9979659077220324
Energy: 1.0735175217586537
Energy: 0.9979659077220324
Energy: 1.4620155704442732
Energy: 1.0266655152862831
Energy: 1.0344909530730946
Energy: 1.0266655152862831
Energy: 1.2568211568413805
Energy: 0.9911845976009069
Energy: 1.0734185888919234
Energy: 0.9911845975993001
Energy: 1.255813997012419
Energy: 0.9909250385471968
Energy: 1.2652983055963711
Energy: 0.9909250385471968
Energy: 1.4602838407324676
Energy: 0.9973021544327924
Energy: 0.9974139538319792
Energy: 0.9973021544327924
Energy: 1.0250645686845532
Energy: 0.9907765482695041
Energy: 0.997439704281462
Energy: 0.9907765482695041
Energy: 1.0003323824151076
Energy: 1.0241134199302182
Energy: 1.5386079760594271
Energy: 1.0241134199302182
Energy: 1.0751687600013449
Energy: 1.0792083658737899
Energy: 1.2476109711582657
Energy: 1.0792083658737899
Energy: 1.0693614974471586
Energy: 0.9851845919393662
Energy: 1.2472328349771833
Energy: 0.985184591940973
Energy: 1.0880979860667328
Energy: 0.9907436169250126
Energy: 1.4493668372296384
Energy: 0.9907436169250126
Energy: 1.0557351721651222
Energy: 1.0246359463291848
Energy: 1.448511457021892
Energy: 1.0246359463291848
Energy: 1.0888262837166915
Energy: 0.9852048872536225
Energy: 1.2475155671547726
Energy: 0.9852048872536225
Energy: 1.075870510843691
Energy: 1.079451951607324
Energy: 1.2475533230008797
Energy: 1.079451951607324
Energy: 1.0244740393495029
Energy: 1.0240250044132888
Energy: 1.7667947562512818
Energy: 1.0240250044132888
Energy: 1.0245401057739263
Energy: 0.9907289877757085
Energy: 0.9974217876403052
Energy: 0.9907289877757085
Energy: 1.7819805032482343
Energy: 0.9972421066941636
Energy: 0.997433021267096
Energy: 0.9972421066941636
Energy: 1.2557418166696035
Energy: 0.9907031891229205
Energy: 1.2656063393699346
Energy: 0.9907031891229205
Energy: 1.1271697370767577
Energy: 0.9909762509410887
Energy: 1.0734789174350323
Energy: 0.9909762509410887
Energy: 1.2362066105510126
Energy: 0.9975843306529057
Energy: 1.0272875189625268
Energy: 0.9975843306545124
Energy: 1.4473899733270026
Energy: 0.9981970089135458
Energy: 1.0348825428646096
Energy: 0.9981970089135458
Energy: 1.2588857325919192
Energy: 0.9851529103649751
Energy: 1.073415763631328
Energy: 0.9851529103649751
Energy: 1.447416417038272
Energy: 1.072301088433187
Energy: 1.0732259081737496
Energy: 1.072301088433187
Energy: 1.6119988101536922
Energy: 1.0340745144624603
Energy: 1.0344672399807555
Energy: 1.0340745144624603
Energy: 1.2561349533090627
Energy: 0.990824209377567
Energy: 1.018125313891233
Energy: 0.9908242093791738

minimum gb energy = 0.9851529103649751 eV
minimum distance =  2.34538665772964 Angstroms
sigma value = 9


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

Energy: 1.005598585225555
Energy: 1.00359424775333
Energy: 1.1358925694849495
Energy: 1.00359424775333
Energy: 1.0055593835682974
Energy: 1.0470034401894515
Energy: 1.0474125141990778
Energy: 1.0470034401902357
Energy: 1.0967942558219017
Energy: 1.0968578387253594
Energy: 1.097040839468469
Energy: 1.0968578387253594
Energy: 1.0464939613570978
Energy: 1.046894601801695
Energy: 1.0478264034278368
Energy: 1.0468946018018912
Energy: 1.047579139069095
Energy: 1.0472795756855782
Energy: 1.096773486328653
Energy: 1.047279575685208
Energy: 1.7951511940254679
Energy: 1.0472758970087561
Energy: 1.0465742311704676
Energy: 1.0472758970091263
Energy: 1.048425232692664
Energy: 1.0470533737172287
Energy: 1.0475618026254705
Energy: 1.0470533737172287
Energy: 1.0475057158748116
Energy: 1.0480508271142885
Energy: 1.5913426808167765
Energy: 1.0480508271142885
Energy: 1.2371608154497098
Energy: 1.0474407003470398
Energy: 1.0053097679119698
Energy: 1.0474407003470398
Energy: 1.2377654567331327
Energy: 1.0046064374100574
Energy: 1.0053870453946963
Energy: 1.0046064374098616
Energy: 1.0476354733919053
Energy: 1.1449675276148565
Energy: 1.5918269717844604
Energy: 1.1449675276148565
Energy: 1.1343285187387802
Energy: 1.004502245229989
Energy: 1.096784390175148
Energy: 1.0045022452297931
Energy: 1.2370865823231796
Energy: 1.0465931562788444
Energy: 1.0466991527474014
Energy: 1.0465931562790407
Energy: 1.096814508642296
Energy: 1.0995552275438196
Energy: 1.0967537988185097
Energy: 1.0995552275436236
Energy: 1.046705234055382
Energy: 1.0466190946258898
Energy: 1.2370865823231796
Energy: 1.0466190946243652
Energy: 1.0967911331816516
Energy: 1.0047169763537762
Energy: 1.1343046329920325
Energy: 1.0047169763537762
Energy: 1.5917807019679948
Energy: 1.144952288541169
Energy: 1.0477062288151084
Energy: 1.1449522885407988
Energy: 1.0053663588250206
Energy: 1.0045778672486092
Energy: 1.2377654567333287
Energy: 1.004577867248239
Energy: 1.0053120360009227
Energy: 1.047434861915347
Energy: 1.237160815449906
Energy: 1.0474348619155431
Energy: 1.5913184570484677
Energy: 1.0479764920269892
Energy: 1.0474862778223577
Energy: 1.0479764920269892
Energy: 1.04752829862463
Energy: 1.0473122355931883
Energy: 1.048270254872952
Energy: 1.0473122355931883

minimum gb energy = 1.00359424775333 eV
minimum distance =  2.32236328472588 Angstroms
sigma value = 25


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

Energy: 1.1537904462862405
Energy: 1.1037976245100276
Energy: 1.2080165051593892
Energy: 1.1037976245097851
Energy: 1.4287932646633326
Energy: 1.1989424401640045
Energy: 1.1616173691441904
Energy: 1.198942440164247
Energy: 1.2856149913284864
Energy: 1.1502241517062934
Energy: 1.162164965746697
Energy: 1.150224151706536
Energy: 1.1117257710431017
Energy: 1.193609932799446
Energy: 1.131537010127113
Energy: 1.1936099327999308
Energy: 1.1954650845806392
Energy: 1.1984832986657814
Energy: 1.4705299378587209
Energy: 1.1984832986659972
Energy: 1.5381751119098745
Energy: 1.14767501531102
Energy: 1.1480595042694033
Energy: 1.1476750153117201
Energy: 1.2876885507490359
Energy: 1.1946122694789458
Energy: 1.1481188473825175
Energy: 1.1946122694787034
Energy: 1.1948582075694216
Energy: 1.223545586097835
Energy: 1.4714913079192595
Energy: 1.2235455860980773
Energy: 1.223614425919141
Energy: 1.1478157387289682
Energy: 1.148092861656472
Energy: 1.1478157387289682
Energy: 1.271725300093382
Energy: 1.1481714747324996
Energy: 1.1481976462221961
Energy: 1.1481714747329574
Energy: 1.1513494183579325
Energy: 1.1937516693653496
Energy: 1.4657105285389118
Energy: 1.1937516693658343
Energy: 1.1931202037436912
Energy: 1.1485895473760468
Energy: 1.1324518472822382
Energy: 1.1485895473760468
Energy: 1.4153158081690402
Energy: 1.1500389286354993
Energy: 1.1514853077460248
Energy: 1.1500389286357149
Energy: 1.4456123486134378
Energy: 1.1985328617310156
Energy: 1.2907601358538914
Energy: 1.198532861731258
Energy: 1.4457302584674698
Energy: 1.0891680896645208
Energy: 1.2903034751845932
Energy: 1.0891680896640359
Energy: 1.4286182989125378
Energy: 1.1384397222550393
Energy: 1.1315782529322862
Energy: 1.1384397222547968
Energy: 1.1942022528051996
Energy: 1.1483114563759786
Energy: 1.1510280451413761
Energy: 1.1483114563764365

minimum gb energy = 1.0891680896640359 eV
minimum distance =  2.30288150141885 Angstroms
sigma value = 17


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

Energy: 1.5732873634599256
Energy: 1.514534445964507
Energy: 1.2601203539058148
Energy: 1.5145344459631644
Energy: 1.372917033036475
Energy: 1.227841412974455
Energy: 1.268925180668055
Energy: 1.227841412974455
Energy: 1.3840907323817482
Energy: 1.2161451709840165
Energy: 1.193519577648039
Energy: 1.2161451709840165
Energy: 1.18988400204836
Energy: 1.1879394967363548
Energy: 1.2370149397640626
Energy: 1.1879394967363548
Energy: 1.2241899588911058
Energy: 1.2279586178098674
Energy: 1.418777615367358
Energy: 1.2279586178098674
Energy: 1.414537194665752
Energy: 1.1669625292624668
Energy: 1.215361560923206
Energy: 1.1669625292638095
Energy: 1.3103498668341576
Energy: 1.1892649423981951
Energy: 1.3764373350262924
Energy: 1.1892649423981951
Energy: 1.2185514399468287
Energy: 1.1873765295688703
Energy: 1.4648005911478887
Energy: 1.1873765295688703
Energy: 1.2000765994162357
Energy: 1.2342657839218214
Energy: 1.1729489926123342
Energy: 1.2342657839218214
Energy: 1.4317822540866767
Energy: 1.1696791018992054
Energy: 1.2356841568864259
Energy: 1.169679101900548
Energy: 1.2171908930650446
Energy: 1.2169028192786915
Energy: 1.4352172428870218
Energy: 1.2169028192786915
Energy: 1.2166732125786395
Energy: 1.2347433565852997
Energy: 1.2615919671269533
Energy: 1.2347433565839572
Energy: 1.3948183957057665
Energy: 1.2449442496467142
Energy: 1.2634171587369658
Energy: 1.2449442496467142
Energy: 1.2162340717616906
Energy: 1.216985566618884
Energy: 1.2471447440915848
Energy: 1.216985566618884
Energy: 1.2172948357945677
Energy: 1.1839473186157026
Energy: 1.4458764899549734
Energy: 1.1839473186157026
Energy: 1.4412135475615544
Energy: 1.2343805483443573
Energy: 1.1736829761427765
Energy: 1.2343805483456998
Energy: 1.22029185739565
Energy: 1.2722299325760718
Energy: 1.2343805898917977
Energy: 1.2722299325760718
Energy: 1.2002748797482903
Energy: 1.2574324695797172
Energy: 1.3943224547617599
Energy: 1.2574324695810597
Energy: 1.2987697576787927
Energy: 1.1680310011413586
Energy: 1.36599373431837
Energy: 1.1680310011413586
Energy: 1.4101441903460326
Energy: 1.168237479462017
Energy: 1.3660987092046195
Energy: 1.1682374794606745
Energy: 1.1869814697989678
Energy: 1.2654986954758047
Energy: 1.4367763943471326
Energy: 1.2654986954771474
Energy: 1.1870025321031121
Energy: 1.2777635365058757
Energy: 1.2155156646211878
Energy: 1.2777635365058757
Energy: 1.4038289466423064
Energy: 1.215959249518561
Energy: 1.1976793489989317
Energy: 1.215959249518561
Energy: 1.3642653213140419
Energy: 1.1742044061481691
Energy: 1.311861933487713
Energy: 1.1742044061495114
Energy: 1.3643784772709455
Energy: 1.1730954575794623
Energy: 1.3802783632646933
Energy: 1.1730954575794623
Energy: 1.4116277300338205
Energy: 1.214332641771902
Energy: 1.2156506598850603
Energy: 1.2143326417732445
Energy: 1.1829885146607548
Energy: 1.2346520412195283
Energy: 1.1976152123738464
Energy: 1.2346520412195283
Energy: 1.1875206346658154
Energy: 1.18773326786137
Energy: 1.442832665697995
Energy: 1.18773326786137
Energy: 1.3771792476995788
Energy: 1.1677949537151686
Energy: 1.3676469115290713
Energy: 1.1677949537151686
Energy: 1.261538585186096
Energy: 1.1673706739373049
Energy: 1.2136598525950768
Energy: 1.1673706739373049

minimum gb energy = 1.1669625292624668 eV
minimum distance =  2.30743641406491 Angstroms
sigma value = 53


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

Energy: 1.1986296553333957
Energy: 1.2033641108319686
Energy: 1.3897247297646345
Energy: 1.2033641108319686
Energy: 1.2781429649069533
Energy: 1.200740134318903
Energy: 1.1985370061051668
Energy: 1.2007401343194999
Energy: 1.653569152606741
Energy: 1.2973989759939748
Energy: 1.3054598224961151
Energy: 1.297398975994291
Energy: 1.3054467510143783
Energy: 1.297372239564646
Energy: 1.6532142514465256
Energy: 1.297372239564646
Energy: 1.1985610448516186
Energy: 1.2006914555695658
Energy: 1.2781416940580765
Energy: 1.2006914555695658
Energy: 1.389724728875582
Energy: 1.2033641108319686
Energy: 1.1986296553333957
Energy: 1.2033641108322848
Energy: 1.1985370061045346
Energy: 1.2007401343194999
Energy: 1.2781429649072344
Energy: 1.2007401343194999
Energy: 1.305459822496431
Energy: 1.2973989759939748
Energy: 1.6535691526076541
Energy: 1.2973989759939748
Energy: 1.6532142514428376
Energy: 1.2973722395652432
Energy: 1.3054467510146945
Energy: 1.2973722395649272
Energy: 1.2781416940580765
Energy: 1.2006914555695658
Energy: 1.1985610448516186
Energy: 1.2006914555711108
Energy: 1.1986296553333957
Energy: 1.2033641108319686
Energy: 1.3897247278023979
Energy: 1.2033641108319686
Energy: 1.2781429649066374
Energy: 1.200740134319219
Energy: 1.1985370061048506
Energy: 1.200740134319219
Energy: 1.6535691526076541
Energy: 1.297398975994291
Energy: 1.305459822496431
Energy: 1.2973989759939748

minimum gb energy = 1.1985370061045346 eV
minimum distance =  2.31246470885445 Angstroms
sigma value = 9


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

Energy: 1.4017592232394551
Energy: 1.2912236132857218
Energy: 1.4497635345102178
Energy: 1.2912236132845778
Energy: 1.5527977726359914
Energy: 1.2810231959194571
Energy: 1.3924393626349256
Energy: 1.2810231959183134
Energy: 1.326552829643039
Energy: 1.2561045633123578
Energy: 1.2556747736516338
Energy: 1.256104563311214
Energy: 1.2643746141393546
Energy: 1.2794514255951437
Energy: 1.3684563790401458
Energy: 1.2794514255962874
Energy: 1.3188212719921821
Energy: 1.242925604638854
Energy: 1.5572121062571775
Energy: 1.242925604638854
Energy: 1.5214623273394028
Energy: 1.3503863723312157
Energy: 1.3996102562971475
Energy: 1.3503863723323595
Energy: 1.3813802621429454
Energy: 1.3295954265613814
Energy: 1.5790092122232129
Energy: 1.329595426562525
Energy: 1.2422762212985854
Energy: 1.2904310220294677
Energy: 1.3280174888488243
Energy: 1.2904310220306117
Energy: 1.3345253737496618
Energy: 1.2568547671223333
Energy: 1.28883017385682
Energy: 1.2568547671211894
Energy: 1.405919037034382
Energy: 1.2566222839969239
Energy: 1.3499074698717195
Energy: 1.2566222839957801
Energy: 1.2695213511501622
Energy: 1.3590778944853585
Energy: 1.5490482821823004
Energy: 1.3590778944853585
Energy: 1.5958720915554725
Energy: 1.2923964784679969
Energy: 1.3300202442298612
Energy: 1.2923964784691406
Energy: 1.3149025653383668
Energy: 1.2741885437489011
Energy: 1.2750102365792078
Energy: 1.2741885437477571
Energy: 1.3170227928309288
Energy: 1.2804554346744321
Energy: 1.4242095124872356
Energy: 1.2804554346732884
Energy: 1.3217041008216923
Energy: 1.2903974638255098
Energy: 1.2737115645197927
Energy: 1.2903974638255098
Energy: 1.553108054036901
Energy: 1.273967548835609
Energy: 1.2771805731544992
Energy: 1.2739675488344653
Energy: 1.438955014763251
Energy: 1.2740982893367978
Energy: 1.6179544306434985
Energy: 1.2740982893379418
Energy: 1.2730145293938766
Energy: 1.3582457769470917
Energy: 1.345549911959089
Energy: 1.358245776944804
Energy: 1.5878636892927462
Energy: 1.3609307145273843
Energy: 1.309566669485766
Energy: 1.3609307145273843
Energy: 1.2891703457741868
Energy: 1.273926506949929
Energy: 1.2914013462415657
Energy: 1.273926506951073
Energy: 1.2418269492684881
Energy: 1.2899485883364705
Energy: 1.3117435029275428
Energy: 1.2899485883387583
Energy: 1.5306187417399655
Energy: 1.2426146252563288
Energy: 1.3974853324546201
Energy: 1.2426146252574726
Energy: 1.4159892175062514
Energy: 1.3471447441039404
Energy: 1.3977982904493635
Energy: 1.3471447441016526
Energy: 1.3388259395768285
Energy: 1.3588256068701754
Energy: 1.4823491696141837
Energy: 1.3588256068713191
Energy: 1.262976117178969
Energy: 1.2900482970082383
Energy: 1.2555627508692362
Energy: 1.2900482970070943
Energy: 1.4943958561581183
Energy: 1.3162469312953529
Energy: 1.2558512708464258
Energy: 1.3162469312942089
Energy: 1.5794671967029241
Energy: 1.2386824837024712
Energy: 1.5632748007729556
Energy: 1.2386824837036152
Energy: 1.4012046990516926
Energy: 1.2388281081531005
Energy: 1.5624271479893634
Energy: 1.2388281081542443
Energy: 1.4784012445969887
Energy: 1.316653194482802
Energy: 1.3029519751755032
Energy: 1.3166531944816582
Energy: 1.2628750215218214
Energy: 1.2899096667213366
Energy: 1.255451948443295
Energy: 1.2899096667201926
Energy: 1.3148655761274872
Energy: 1.3563884225690934
Energy: 1.4793635171278223
Energy: 1.3563884225702372
Energy: 1.4161465651060838
Energy: 1.2426294365701476
Energy: 1.4002511518278091
Energy: 1.2426294365724353
Energy: 1.6240206538526416
Energy: 1.242446564821869
Energy: 1.4035756398727257
Energy: 1.242446564821869
Energy: 1.2421714400829318
Energy: 1.2902297186458818
Energy: 1.5706185287969858
Energy: 1.290229718644738
Energy: 1.2645675562514178
Energy: 1.2736914147071616
Energy: 1.2842881786746574
Energy: 1.2736914147083056

minimum gb energy = 1.2386824837024712 eV
minimum distance =  2.27087176173795 Angstroms
sigma value = 73


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

Energy: 1.4523363319007059
Energy: 1.3580225226487195
Energy: 1.4955754044286504
Energy: 1.3580225226481832
Energy: 1.472009671001648
Energy: 1.2995370528127406
Energy: 1.4053916708789356
Energy: 1.2995370528130912
Energy: 1.3513540319293196
Energy: 1.3209189939198138
Energy: 1.2303058389196122
Energy: 1.32091899392035
Energy: 1.277736496921887
Energy: 1.262497135323186
Energy: 1.3187792527299727
Energy: 1.2624971353228147
Energy: 1.42989324994619
Energy: 1.2624686202767221
Energy: 1.4637762164846482
Energy: 1.2624686202765367
Energy: 1.6703107927089862
Energy: 1.3798523252155621
Energy: 1.2464017874532385
Energy: 1.3798523252155621
Energy: 1.3182524122587291
Energy: 1.3041842713584408
Energy: 1.5055327045783498
Energy: 1.304184271358812
Energy: 1.263763633937808
Energy: 1.2627778470472137
Energy: 1.3617369086336428
Energy: 1.2627778470470281
Energy: 1.5308940492379777
Energy: 1.3208689125589015
Energy: 1.3536203672235014
Energy: 1.3208689125590871
Energy: 1.2625725457829697
Energy: 1.3209631967290705
Energy: 1.3545595255873344
Energy: 1.320963196729421
Energy: 1.2624108107959724
Energy: 1.2628863362894354
Energy: 1.6459158949326629
Energy: 1.2628863362896212
Energy: 1.5648036111784906
Energy: 1.262605612170077
Energy: 1.482214540813945
Energy: 1.2626056121697058
Energy: 1.4277487606677588
Energy: 1.262390474036643
Energy: 1.2445512842585083
Energy: 1.2623904740370142
Energy: 1.3155294586416195
Energy: 1.4237210493156267
Energy: 1.5254511728146656
Energy: 1.4237210493165342
Energy: 1.2776256455485366
Energy: 1.2623082470311968
Energy: 1.3200703823251945
Energy: 1.2623082470313824
Energy: 1.4100862700290338
Energy: 1.32096512749388
Energy: 1.2306105076678984
Energy: 1.32096512749388
Energy: 1.4369558206901527
Energy: 1.2444601621034734
Energy: 1.6530736128634722
Energy: 1.2444601621033085
Energy: 1.436889492921415
Energy: 1.2447981508818735
Energy: 1.6507531632407801
Energy: 1.2447981508816877
Energy: 1.5963223783074185
Energy: 1.3211241866694694
Energy: 1.3195078329621721
Energy: 1.3211241866694694
Energy: 1.2772953045239759
Energy: 1.2626146338578925
Energy: 1.2303911032409949
Energy: 1.2626146338578925
Energy: 1.3521178440665793
Energy: 1.3860275287763753
Energy: 1.5278601074412073
Energy: 1.3860275287765609
Energy: 1.4277123621496335
Energy: 1.2625778902524123
Energy: 1.2446424028062009
Energy: 1.2625778902516904

minimum gb energy = 1.2303058389196122 eV
minimum distance =  2.26916014356997 Angstroms
sigma value = 7


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

Energy: 1.5848621806929293
Energy: 1.3866993182166056
Energy: 1.4862221821975998
Energy: 1.386699318217889
Energy: 1.519803533870183
Energy: 1.308011549204301
Energy: 1.3171039861671965
Energy: 1.308011549204301
Energy: 1.2995732028337212
Energy: 1.2843892046945977
Energy: 1.2839919514125278
Energy: 1.2843892046945977
Energy: 1.3047306845681617
Energy: 1.2374921331475977
Energy: 1.284702959779761
Energy: 1.2374921331463145
Energy: 1.394497386737634
Energy: 1.2844016698652914
Energy: 1.236818796902923
Energy: 1.2844016698652914
Energy: 1.8130757685490757
Energy: 1.2373861634214924
Energy: 1.2385753073234333
Energy: 1.237386163420209
Energy: 1.2749241187159028
Energy: 1.315731906643726
Energy: 1.5864923711601053
Energy: 1.315731906643726
Energy: 1.2384761790837298
Energy: 1.238375843948721
Energy: 1.3868153513638921
Energy: 1.238375843948721
Energy: 1.6232958294729534
Energy: 1.2843301656390604
Energy: 1.3181852422172546
Energy: 1.2843301656390604
Energy: 1.2829558229488096
Energy: 1.237845180611062
Energy: 1.305223936653732
Energy: 1.237845180611062
Energy: 1.2830548399898911
Energy: 1.2847775280257214
Energy: 1.384679200458694
Energy: 1.2847775280257214
Energy: 1.7254276990393442
Energy: 1.2375434222698385
Energy: 1.4990726341054925
Energy: 1.2375434222698385
Energy: 1.722121266337437
Energy: 1.2378328964948204
Energy: 1.5034374043007932
Energy: 1.2378328964948204
Energy: 1.2847543786933122
Energy: 1.2851087401050418
Energy: 1.652051597739324
Energy: 1.2851087401050418
Energy: 1.2832964660377564
Energy: 1.238242402383601
Energy: 1.2992864916068974
Energy: 1.238242402383601
Energy: 1.6221434285066691
Energy: 1.3855879093008485
Energy: 1.3157112724420024
Energy: 1.3855879093021317
Energy: 1.2365243182339531
Energy: 1.2374860664404295
Energy: 1.3869921586878793
Energy: 1.2374860664404295
Energy: 1.2370439470248318
Energy: 1.2847197527263425
Energy: 1.6135122839120275
Energy: 1.2847197527263425
Energy: 1.8300007136624696
Energy: 1.2374976985921333
Energy: 1.236605596669116
Energy: 1.2374976985921333
Energy: 1.387850452682225
Energy: 1.2841886219406273
Energy: 1.2367175665122778
Energy: 1.2841886219406273
Energy: 1.2994211369555388
Energy: 1.315603162405898
Energy: 1.403557561041666
Energy: 1.315603162405898
Energy: 1.2993291453785711
Energy: 1.2850941159059004
Energy: 1.2885015148288699
Energy: 1.2850941159059004
Energy: 1.519392072921565
Energy: 1.310749579217394
Energy: 1.3169604857888557
Energy: 1.310749579217394
Energy: 1.5009552827735384
Energy: 1.2380913006612564
Energy: 1.7211359552905965
Energy: 1.2380913006612564
Energy: 1.5038318372313093
Energy: 1.2381856980915755
Energy: 1.3017806026231242
Energy: 1.2381856980915755
Energy: 1.3846452050146558
Energy: 1.2859151314602861
Energy: 1.2882611863568718
Energy: 1.2859151314602861
Energy: 1.3010534748065363
Energy: 1.2377252058376027
Energy: 1.2842474080374044
Energy: 1.2377252058376027
Energy: 1.3952144888295377
Energy: 1.2838554217347482
Energy: 1.5586613183037297
Energy: 1.2838554217347482
Energy: 1.3868137782870793
Energy: 1.2371683838177954
Energy: 1.2366690215043215
Energy: 1.2371683838177954
Energy: 1.5920574301624695
Energy: 1.333098953680492
Energy: 1.5920557444568884
Energy: 1.333098953680492
Energy: 1.236670906250377
Energy: 1.2371515223377938
Energy: 1.3868137782883627
Energy: 1.2371515223377938

minimum gb energy = 1.2365243182339531 eV
minimum distance =  2.28760907603078 Angstroms
sigma value = 29


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

Energy: 1.1107908129662314
Energy: 1.2001778689453044
Energy: 1.498219335574054
Energy: 1.2001778689457265
Energy: 1.5791240175952628
Energy: 1.1912626347038726
Energy: 1.1979900430893264
Energy: 1.1912626347038726
Energy: 1.498631221519487
Energy: 1.1666892105372142
Energy: 1.1678800113230936
Energy: 1.1666892105372142
Energy: 1.6278383083836814
Energy: 1.2002516984743334
Energy: 1.1669937380340885
Energy: 1.2002516984738865
Energy: 1.6615834066640742
Energy: 1.1666961632171555
Energy: 1.166980956295038
Energy: 1.1666961632171555
Energy: 1.4472203769555696
Energy: 1.168094941012275
Energy: 1.1666574929506277
Energy: 1.168094941012275
Energy: 1.3204645719762147
Energy: 1.1665368265384708
Energy: 1.4776373415046435
Energy: 1.1665368265384708
Energy: 1.108692291543095
Energy: 1.1681528697104389
Energy: 1.8339912091366368
Energy: 1.1681528697108858
Energy: 1.615256498699618
Energy: 1.1984556172234124
Energy: 1.198435802241301
Energy: 1.1984556172234124

minimum gb energy = 1.108692291543095 eV
minimum distance =  2.33777795585995 Angstroms
sigma value = 5


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

Energy: 1.3641488274567657
Energy: 1.2387667354031355
Energy: 1.5483506519225336
Energy: 1.2387667354043477
Energy: 1.355261598452481
Energy: 1.2128791602901934
Energy: 1.3200507741469472
Energy: 1.2128791602914057
Energy: 1.274532998130205
Energy: 1.2675194248621926
Energy: 1.266920868951725
Energy: 1.2675194248621926
Energy: 1.2745533097954957
Energy: 1.2764817156035217
Energy: 1.3446775846397023
Energy: 1.2764817156035217
Energy: 1.2062672108334764
Energy: 1.2665655994496876
Energy: 1.2389031601431013
Energy: 1.2665655994509
Energy: 1.339829369502323
Energy: 1.2960697671861834
Energy: 1.236300747547107
Energy: 1.2960697671861834
Energy: 1.343009085320455
Energy: 1.2505086497905045
Energy: 1.3926622701382778
Energy: 1.2505086497892923
Energy: 1.3453509172036522
Energy: 1.2499669073854431
Energy: 1.5182462374876515
Energy: 1.2499669073854431
Energy: 1.5426681235396085
Energy: 1.2298320940466356
Energy: 1.3352135340745888
Energy: 1.2298320940466356
Energy: 1.5457140631992319
Energy: 1.2298999759039535
Energy: 1.3386608936818691
Energy: 1.2298999759039535
Energy: 1.266800529052083
Energy: 1.2674038765786857
Energy: 1.3055013611708222
Energy: 1.267403876579898
Energy: 1.267929473347304
Energy: 1.267464169502244
Energy: 1.2355638345193716
Energy: 1.2674641695010318
Energy: 1.3708290622371282
Energy: 1.3187970103373066
Energy: 1.2344231113687434
Energy: 1.3187970103373066
Energy: 1.2245132049128222
Energy: 1.2686380427163528
Energy: 1.234631407385916
Energy: 1.2686380427163528
Energy: 1.2473118579029727
Energy: 1.414636130216468
Energy: 1.4604017782185081
Energy: 1.414636130216468
Energy: 1.5871285569131184
Energy: 1.2413708745273153
Energy: 1.3335287867478485
Energy: 1.2413708745273153
Energy: 1.440932206312594
Energy: 1.2312831653958598
Energy: 1.4616201497669257
Energy: 1.231283165397072
Energy: 1.2461159230327001
Energy: 1.251566891121022
Energy: 1.523410201883425
Energy: 1.2515668911222342
Energy: 1.3429020939916594
Energy: 1.2472483812195332
Energy: 1.2953796566794813
Energy: 1.2472483812195332
Energy: 1.2638160807072467
Energy: 1.2928211559198157
Energy: 1.24136114802404
Energy: 1.2928211559210279
Energy: 1.2647993182308601
Energy: 1.2755681889152
Energy: 1.297058511731742
Energy: 1.2755681889152
Energy: 1.3540217665298542
Energy: 1.2669655767939103
Energy: 1.2507100140131444
Energy: 1.2669655767926982
Energy: 1.2747068314097934
Energy: 1.2661829614160143
Energy: 1.252476720516744
Energy: 1.2661829614160143
Energy: 1.4698136356688967
Energy: 1.2272774057518154
Energy: 1.6495413175584823
Energy: 1.2272774057518154
Energy: 1.4654950663654327
Energy: 1.2280254755275195
Energy: 1.7018203269303434
Energy: 1.2280254755275195
Energy: 1.3744380154819706
Energy: 1.2656917226269366
Energy: 1.2508296586874048
Energy: 1.2656917226257245
Energy: 1.315610733914739
Energy: 1.2657421305710008
Energy: 1.2524482334694689
Energy: 1.2657421305697887
Energy: 1.3031621347450664
Energy: 1.2773869234995623
Energy: 1.4088149354400583
Energy: 1.2773869234983501
Energy: 1.2654652371733377
Energy: 1.2673213541035964
Energy: 1.238261211377877
Energy: 1.267321354102384
Energy: 1.3592029186276948
Energy: 1.3722059646788967
Energy: 1.3036999785951673
Energy: 1.372205964680109
Energy: 1.2924772734501233
Energy: 1.2525457250591836
Energy: 1.390190142383213
Energy: 1.2525457250603957
Energy: 1.3413066426777862
Energy: 1.220274350375102
Energy: 1.516366621535669
Energy: 1.220274350375102
Energy: 1.7052670457619823
Energy: 1.2324829132324442
Energy: 1.3330426114010987
Energy: 1.2324829132324442

minimum gb energy = 1.2062672108334764 eV
minimum distance =  2.27007486874127 Angstroms
sigma value = 1


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

Energy: 1.3502874123147324
Energy: 1.223494452526058
Energy: 1.645145584981588
Energy: 1.223494452526058
Energy: 1.2211155629409571
Energy: 1.1910072690763889
Energy: 1.326733011846523
Energy: 1.1910072690747127
Energy: 1.344744934805805
Energy: 1.254476987802921
Energy: 1.4063085477025579
Energy: 1.254476987802921
Energy: 1.2543688622724296
Energy: 1.2525818999719491
Energy: 1.2981392610826108
Energy: 1.2525818999719491
Energy: 1.2146288259131934
Energy: 1.1845087736352329
Energy: 1.213576325914138
Energy: 1.1845087736335567
Energy: 1.2127739464874305
Energy: 1.226013355443501
Energy: 1.213146319011843
Energy: 1.226013355443501
Energy: 1.3588650236703324
Energy: 1.246772499436595
Energy: 1.4229801343549067
Energy: 1.246772499436595
Energy: 1.3585157810631467
Energy: 1.2466478598611663
Energy: 1.4721223488387782
Energy: 1.2466478598611663
Energy: 1.3462676892546972
Energy: 1.1847240673888353
Energy: 1.2047861752321951
Energy: 1.1847240673888353
Energy: 1.3462676892546972
Energy: 1.184608975462264
Energy: 1.203905018593074
Energy: 1.184608975462264
Energy: 1.3588841177466489
Energy: 1.2468977409907342
Energy: 1.4721223488387782
Energy: 1.2468977409907342
Energy: 1.3587909916074257
Energy: 1.24667659850405
Energy: 1.4229801343565827
Energy: 1.24667659850405
Energy: 1.2128261855496123
Energy: 1.2694300459265764
Energy: 1.213699658306731
Energy: 1.2694300459265764
Energy: 1.2148298654345
Energy: 1.18491627074786
Energy: 1.2135361435468952
Energy: 1.18491627074786
Energy: 1.233948611772659
Energy: 1.251898317770565
Energy: 1.2984399115495862
Energy: 1.251898317770565
Energy: 1.344744934805805
Energy: 1.2536723749164858
Energy: 1.4060269361148932
Energy: 1.2536723749164858
Energy: 1.2836466027759181
Energy: 1.1952039704062563
Energy: 1.2974462447023534
Energy: 1.1952039704062563
Energy: 1.3502874123147324
Energy: 1.223494452526058
Energy: 1.6451455839010172
Energy: 1.223494452526058
Energy: 1.2211155629409571
Energy: 1.1910072690763889
Energy: 1.326733011846523
Energy: 1.1910072690747127
Energy: 1.344744934805805
Energy: 1.254476987802921
Energy: 1.4063085477025579
Energy: 1.254476987802921
Energy: 1.2543688622724296
Energy: 1.2525818999719491
Energy: 1.2981392610826108
Energy: 1.2525818999719491
Energy: 1.2146288259131934
Energy: 1.1845087736352329
Energy: 1.213576325914138
Energy: 1.1845087736335567
Energy: 1.2127739464891065
Energy: 1.226013355443501
Energy: 1.213146319011843
Energy: 1.226013355443501
Energy: 1.3588650236703324
Energy: 1.246772499436595
Energy: 1.4229801343565827
Energy: 1.246772499436595

minimum gb energy = 1.1845087736335567 eV
minimum distance =  2.25722307799005 Angstroms
sigma value = 17


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

Energy: 1.419859918649311
Energy: 1.2188789435640826
Energy: 1.7816566376068899
Energy: 1.2188789435630465
Energy: 1.3148778098269032
Energy: 1.2243390992843137
Energy: 1.2979012147762916
Energy: 1.2243390992843137
Energy: 1.2457077315696319
Energy: 1.2229981021847371
Energy: 1.2378144136400138
Energy: 1.222998102183701
Energy: 1.2644328486942282
Energy: 1.2342907997181187
Energy: 1.3817886465015277
Energy: 1.2342907997181187
Energy: 1.2528158001745533
Energy: 1.2174021944883002
Energy: 1.241401761297078
Energy: 1.2174021944883002
Energy: 1.2625509810559485
Energy: 1.248644413274161
Energy: 1.2414029838238951
Energy: 1.2486444132731251
Energy: 1.227932144016597
Energy: 1.230084473333032
Energy: 1.2173741935263462
Energy: 1.230084473333032
Energy: 1.2263013176331325
Energy: 1.2300404844665558
Energy: 1.251450505011271
Energy: 1.2300404844665558
Energy: 1.4514874490555223
Energy: 1.2066978290896742
Energy: 1.3922582497259053
Energy: 1.2066978290886383
Energy: 1.4911233844524276
Energy: 1.2065204539320082
Energy: 1.3916376095718201
Energy: 1.206520453935116
Energy: 1.2862313696230088
Energy: 1.2105497201304445
Energy: 1.2517954065141303
Energy: 1.2105497201304445
Energy: 1.283526454934682
Energy: 1.210419197057395
Energy: 1.2502639183251432
Energy: 1.2104191970584308
Energy: 1.270572521222966
Energy: 1.2357849366017801
Energy: 1.2420107139064378
Energy: 1.2357849366017801
Energy: 1.2265093249934116
Energy: 1.217609823038622
Energy: 1.2408146968528964
Energy: 1.2176098230375862
Energy: 1.2253391130960667
Energy: 1.256453626033516
Energy: 1.246189038965765
Energy: 1.25645362603248
Energy: 1.2284306253724169
Energy: 1.2301215652158444
Energy: 1.2130505904933504
Energy: 1.2301215652158444
Energy: 1.3780973464854607
Energy: 1.2120653035533349
Energy: 1.2773480197431848
Energy: 1.212065303550227
Energy: 1.2804085713243165
Energy: 1.2197885841074623
Energy: 1.472804568601366
Energy: 1.2197885841095342
Energy: 1.2813642005797452
Energy: 1.2007189459765308
Energy: 1.2779084524570952
Energy: 1.2007189459754948
Energy: 1.5904398793308092
Energy: 1.2152006245348572
Energy: 1.2822995771520647
Energy: 1.2152006245348572
Energy: 1.3067400656795196
Energy: 1.328295364795456
Energy: 1.369181023490111
Energy: 1.328295364796492
Energy: 1.227048679636862
Energy: 1.2178155780210327
Energy: 1.2244494493395295
Energy: 1.2178155780231048
Energy: 1.3251548427805946
Energy: 1.2967538285921612
Energy: 1.2767248786958625
Energy: 1.2967538285921612
Energy: 1.2193841733673834
Energy: 1.2307613013278567
Energy: 1.205391284630087
Energy: 1.2307613013278567
Energy: 1.220699716165014
Energy: 1.257479724902934
Energy: 1.2929166533003182
Energy: 1.257479724902934
Energy: 1.2472378283274628
Energy: 1.2182854571036337
Energy: 1.2241529149259556
Energy: 1.2182854571036337
Energy: 1.3308075449851111
Energy: 1.2181826618988354
Energy: 1.2876028627955505
Energy: 1.2181826618988354
Energy: 1.3845866999243241
Energy: 1.1927001318072017
Energy: 1.6604314532972795
Energy: 1.1927001318092736
Energy: 1.3895097449324827
Energy: 1.1934149623460293
Energy: 1.5037618122122878
Energy: 1.1934149623460293
Energy: 1.2457343194476538
Energy: 1.2182680385636189
Energy: 1.2244490025912047
Energy: 1.2182680385646547
Energy: 1.2488354564407071
Energy: 1.2184039034260483
Energy: 1.2878251710317334
Energy: 1.2184039034281202
Energy: 1.2192166430811222
Energy: 1.2554032923534588
Energy: 1.2483039518150298
Energy: 1.2554032923534588
Energy: 1.2208617034803542
Energy: 1.231116607901025
Energy: 1.203104994037879
Energy: 1.2311166079020608
Energy: 1.3025276675818114
Energy: 1.2342283359170052
Energy: 1.2248665139140769
Energy: 1.2342283359138975
Energy: 1.2259211669020404
Energy: 1.2183097885613852
Energy: 1.2581535882931947
Energy: 1.218309788560349
Energy: 1.3054228853800551
Energy: 1.19842024562676
Energy: 1.3726699208316957
Energy: 1.198420245628832
Energy: 1.6440304713485223
Energy: 1.2098533098005755
Energy: 1.2822120595289257
Energy: 1.2098533097995396
Energy: 1.3794818760906462
Energy: 1.1999372631591878
Energy: 1.294048534999653
Energy: 1.1999372631591878

minimum gb energy = 1.1927001318072017 eV
minimum distance =  2.28016211293978 Angstroms
sigma value = 89


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

Energy: 1.3194343985241757
Energy: 1.1364850439708163
Energy: 1.6018716666249122
Energy: 1.1364850439702618
Energy: 1.2203274306103984
Energy: 1.1693768491254286
Energy: 1.272091575077989
Energy: 1.1693768491251517
Energy: 1.3402932654790431
Energy: 1.1277444671107637
Energy: 1.1418220364757465
Energy: 1.1277444671107637
Energy: 1.1898066090846433
Energy: 1.1977713445260652
Energy: 1.3434577048405756
Energy: 1.1977713445260652
Energy: 1.2054571850026563
Energy: 1.1830268371003438
Energy: 1.1844055976343948
Energy: 1.1830268371006212
Energy: 1.1822611847802116
Energy: 1.3552605451704511
Energy: 1.1846338021141318
Energy: 1.3552605451699273
Energy: 1.185065335187911
Energy: 1.1278680351167598
Energy: 1.1841152335583343
Energy: 1.1278680351167598
Energy: 1.183336074867498
Energy: 1.1949216342445723
Energy: 1.3441390062139051
Energy: 1.1949216342442952
Energy: 1.341424400911649
Energy: 1.183091149681527
Energy: 1.1221858788513568
Energy: 1.183091149681527
Energy: 1.1824543911640564
Energy: 1.1839845265265718
Energy: 1.1208719898061206
Energy: 1.1839845265257403
Energy: 1.2635091120612083
Energy: 1.1277897142116464
Energy: 1.3441738156336476
Energy: 1.1277897142119238
Energy: 1.2632586283993292
Energy: 1.128711405690879
Energy: 1.344124579725722
Energy: 1.128711405690602
Energy: 1.3414297197674725
Energy: 1.1832578902767865
Energy: 1.1222912532223233
Energy: 1.1832578902765096
Energy: 1.3398882045727416
Energy: 1.1842542165562524
Energy: 1.1206587737322853
Energy: 1.184254216555975
Energy: 1.1847283693167427
Energy: 1.1830725799578774
Energy: 1.2565805158723615
Energy: 1.1830725799578774

minimum gb energy = 1.1206587737322853 eV
minimum distance =  2.28470537123751 Angstroms
sigma value = 13


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

Energy: 1.1942259559104524
Energy: 1.1038348639341586
Energy: 1.479131522025824
Energy: 1.1038348639341586
Energy: 1.2774003340081808
Energy: 1.101703653121566
Energy: 1.1354193989295793
Energy: 1.101703653121566
Energy: 1.2322537877509576
Energy: 1.0860223968297538
Energy: 1.1843213762002323
Energy: 1.0860223968297538
Energy: 1.1700473280104033
Energy: 1.1053998632522521
Energy: 1.1351722246462572
Energy: 1.1053998632533881
Energy: 1.1126792400216265
Energy: 1.1142231904003153
Energy: 1.1530016394469123
Energy: 1.1142231904003153
Energy: 1.2393171731973853
Energy: 1.1148418320209086
Energy: 1.1734793147007918
Energy: 1.1148418320209086
Energy: 1.1372349021788082
Energy: 1.0858651682019684
Energy: 1.1463331211329892
Energy: 1.0858651682031046
Energy: 1.1407787145843082
Energy: 1.1308542112474587
Energy: 1.1361793291260136
Energy: 1.1308542112474587
Energy: 1.1468877075684119
Energy: 1.1140281231822036
Energy: 1.1042489686919161
Energy: 1.1140281231822036
Energy: 1.3099049729711538
Energy: 1.1144211298905555
Energy: 1.1944526612017725
Energy: 1.1144211298894193
Energy: 1.1669048393064247
Energy: 1.0858116613061866
Energy: 1.226240717033481
Energy: 1.0858116613061866
Energy: 1.1589616960972446
Energy: 1.0866123582633722
Energy: 1.1360938018446973
Energy: 1.0866123582633722
Energy: 1.2224109077922196
Energy: 1.0993328633361865
Energy: 1.170044723095393
Energy: 1.0993328633361865
Energy: 1.2173216851861588
Energy: 1.1013101390703937
Energy: 1.3011279332571883
Energy: 1.1013101390703937
Energy: 1.1665162113911172
Energy: 1.0858781388761407
Energy: 1.2247664343455429
Energy: 1.0858781388761407
Energy: 1.159040146027589
Energy: 1.086791199502416
Energy: 1.2322821864922042
Energy: 1.08679119950128
Energy: 1.2232649239075468
Energy: 1.1139899936173758
Energy: 1.1041726607044737
Energy: 1.113989993618512
Energy: 1.152891362070872
Energy: 1.1143823238304023
Energy: 1.1948679284996395
Energy: 1.114382323829266
Energy: 1.136893795386121
Energy: 1.0865402251785343
Energy: 1.14145864936717
Energy: 1.0865402251785343
Energy: 1.1414708307655614
Energy: 1.086494248390804
Energy: 1.1368920234473048
Energy: 1.086494248389668
Energy: 1.1948808490781926
Energy: 1.1143810451893814
Energy: 1.1528753699073522
Energy: 1.1143810451893814
Energy: 1.1042104535268407
Energy: 1.113971662981611
Energy: 1.2232649239064106
Energy: 1.113971662980475
Energy: 1.232282186491068
Energy: 1.0863092041121931
Energy: 1.1590414949619017
Energy: 1.0863092041121931
Energy: 1.2247664343466789
Energy: 1.085867412779857
Energy: 1.1666565934589177
Energy: 1.085867412779857
Energy: 1.301370901148905
Energy: 1.101352670171937
Energy: 1.2173523678536224
Energy: 1.101352670171937
Energy: 1.1700253628068107
Energy: 1.0994923242161663
Energy: 1.2224109077922196
Energy: 1.0994923242150303
Energy: 1.1360730681769777
Energy: 1.086606523521005
Energy: 1.1589674022369107
Energy: 1.086606523521005
Energy: 1.226240717033481
Energy: 1.0857993486920665
Energy: 1.1664326525893731
Energy: 1.0857993486920665
Energy: 1.19440994144617
Energy: 1.1146233539569859
Energy: 1.310046489607116
Energy: 1.1146233539581223
Energy: 1.1040157913049773
Energy: 1.114029369129494
Energy: 1.1467086387403147
Energy: 1.114029369129494
Energy: 1.1360102047189222
Energy: 1.1308578708251655
Energy: 1.140502447022127
Energy: 1.1308578708240293
Energy: 1.1460500600843713
Energy: 1.0858547186184195
Energy: 1.137312732582019
Energy: 1.0858547186172836
Energy: 1.1737207191852514
Energy: 1.1145979011948277
Energy: 1.2392572849634167
Energy: 1.1145979011948277
Energy: 1.1529719670851184
Energy: 1.1142269085815255
Energy: 1.1126866701519238
Energy: 1.1142269085815255
Energy: 1.1350475654084071
Energy: 1.1053630880658207
Energy: 1.170036115164128
Energy: 1.1053630880658207

minimum gb energy = 1.0857993486920665 eV
minimum distance =  2.30419626061264 Angstroms
sigma value = 37


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

Energy: 1.1890687819631813
Energy: 1.0326453763532246
Energy: 1.427828772358047
Energy: 1.0326453763534245
Energy: 1.217036038578798
Energy: 1.051749465925329
Energy: 1.1092709885633192
Energy: 1.0517494659251292
Energy: 1.223862021976934
Energy: 1.0154263468517866
Energy: 1.1407087581299644
Energy: 1.0154263468515867
Energy: 1.148317930677588
Energy: 1.0305964859223564
Energy: 1.1096973689412954
Energy: 1.030596485922556
Energy: 1.1027008525535944
Energy: 1.0134772106031877
Energy: 1.2129429883357492
Energy: 1.0134772106029877
Energy: 1.1918074527482825
Energy: 1.0554919939550085
Energy: 1.1290112241980823
Energy: 1.0554919939548089
Energy: 1.1048803694598135
Energy: 1.0154311865706553
Energy: 1.099781437387018
Energy: 1.015431186570855
Energy: 1.1043466515747424
Energy: 1.1550572483193113
Energy: 1.1244313063521525
Energy: 1.1550572483197108
Energy: 1.1120864861383946
Energy: 1.0135015789283202
Energy: 1.1244152723228342
Energy: 1.0135015789286976
Energy: 1.1909782326506975
Energy: 1.055366075311444
Energy: 1.125014860716066
Energy: 1.0553660753116438
Energy: 1.0751510887846984
Energy: 1.0152844124644516
Energy: 1.1612350032987098
Energy: 1.0152844124638742
Energy: 1.0849871932461101
Energy: 1.0571061071763233
Energy: 1.1706531571494716
Energy: 1.0571061071759233
Energy: 1.2239126958627626
Energy: 1.0136674436985147
Energy: 1.1353695863087552
Energy: 1.0136674436985147
Energy: 1.0697699579265403
Energy: 1.015933640290204
Energy: 1.137301486320568
Energy: 1.015933640290204
Energy: 1.1406711075020017
Energy: 1.0315264258946275
Energy: 1.2114290305886746
Energy: 1.0315264258944499
Energy: 1.1349971808365817
Energy: 1.0387037233825398
Energy: 1.1667481569778462
Energy: 1.03870372338234
Energy: 1.2239514616834952
Energy: 1.0137625264162802
Energy: 1.135421558255048
Energy: 1.0137625264166799
Energy: 1.1479820217844297
Energy: 1.0157846207151124
Energy: 1.137307537366245
Energy: 1.0157846207155123
Energy: 1.0751681660875645
Energy: 1.015237759923761
Energy: 1.2116578281089414
Energy: 1.015237759923761
Energy: 1.075073265240749
Energy: 1.056610386333597
Energy: 1.213059676640925
Energy: 1.0566103863330196

minimum gb energy = 1.0134772106029877 eV
minimum distance =  2.29605504085132 Angstroms
sigma value = 25


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

Energy: 1.1197443893370598
Energy: 0.9442779525511829
Energy: 1.2609690819864081
Energy: 0.9442779525496565
Energy: 1.0070005839145972
Energy: 0.9716471231958089
Energy: 1.0352947206127252
Energy: 0.9716471231958089
Energy: 1.0901153218937776
Energy: 0.9285442622956276
Energy: 1.0923892371234998
Energy: 0.9285442622971538
Energy: 1.0420770603753298
Energy: 0.9797728630210004
Energy: 1.035330526484834
Energy: 0.9797728630194742
Energy: 1.0450186027790493
Energy: 0.921180622247709
Energy: 1.0793541751654827
Energy: 0.921180622247709
Energy: 1.0422777574973061
Energy: 0.940365586160604
Energy: 1.0692163901579168
Energy: 0.940365586160604
Energy: 1.0202621120760211
Energy: 0.920723989849118
Energy: 1.0452391106725563
Energy: 0.920723989849118
Energy: 1.045091479236247
Energy: 0.943724841496223
Energy: 1.0833908281509401
Energy: 0.943724841496223
Energy: 1.0155146642228645
Energy: 0.9212709182049523
Energy: 1.036427380825035
Energy: 0.9212709182034261
Energy: 1.0637446185494095
Energy: 0.9954072563744649
Energy: 1.046688660975857
Energy: 0.9954072563744649
Energy: 1.0070875003053184
Energy: 0.9207091253816783
Energy: 1.044182556181246
Energy: 0.9207091253816783
Energy: 1.0423193293893065
Energy: 0.9438346499425861
Energy: 1.0689822423431923
Energy: 0.9438346499425861
Energy: 1.023025356429987
Energy: 0.921338741054703
Energy: 1.0185553178470286
Energy: 0.921338741054703
Energy: 1.1165901870857269
Energy: 0.9431520287806108
Energy: 1.0092566189811076
Energy: 0.9431520287806108
Energy: 0.9931857020585231
Energy: 0.920827596556238
Energy: 1.0815771657347346
Energy: 0.9208275965577644
Energy: 1.0177627331407488
Energy: 0.9209387862927415
Energy: 1.0340287952271021
Energy: 0.9209387862927415
Energy: 1.0865934718999686
Energy: 0.9284046665806228
Energy: 1.009990224419131
Energy: 0.9284046665806228
Energy: 0.9998305423079908
Energy: 0.9546288514985257
Energy: 1.0107421611281253
Energy: 0.9546288514985257
Energy: 1.0309611920267217
Energy: 0.9429070507386659
Energy: 1.0833792707557268
Energy: 0.9429070507386659
Energy: 1.0735145948567417
Energy: 0.9436997530872905
Energy: 1.0338245321195116
Energy: 0.9436997530872905
Energy: 1.086409706352051
Energy: 0.9286172928587403
Energy: 1.0105439153912712
Energy: 0.9286172928587403
Energy: 1.0579644376002393
Energy: 0.9383160385230506
Energy: 1.013079018139792
Energy: 0.9383160385230506
Energy: 0.993092286537404
Energy: 0.9210431467568827
Energy: 1.0788829817169283
Energy: 0.9210431467568827
Energy: 1.0419801998169782
Energy: 0.9205828515825857
Energy: 1.0592512497243662
Energy: 0.9205828515825857
Energy: 1.0240931195959615
Energy: 0.9214971724939375
Energy: 1.0188508900370399
Energy: 0.9214971724939375
Energy: 1.09193578821134
Energy: 0.9428207839496401
Energy: 1.0096877681702918
Energy: 0.9428207839496401

minimum gb energy = 0.9205828515825857 eV
minimum distance =  2.3058018037024 Angstroms
sigma value = 41


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

Energy: 1.0419745321766274
Energy: 0.8771586759243828
Energy: 1.1384312401386274
Energy: 0.8771586759231315
Energy: 0.9388918446540212
Energy: 0.8892869337114633
Energy: 0.9808514016882343
Energy: 0.8892869337114633
Energy: 0.9902735822610171
Energy: 0.8580151852178198
Energy: 0.999792602696696
Energy: 0.8580151852178198
Energy: 0.9822202548043985
Energy: 0.9254312851420796
Energy: 0.980728853235545
Energy: 0.9254312851433311
Energy: 0.9899235620024531
Energy: 0.8479722902307111
Energy: 0.9820703751133593
Energy: 0.8479722902294596
Energy: 0.9823861438601926
Energy: 0.8651775752865428
Energy: 0.9645526435196331
Energy: 0.8651775752865428
Energy: 0.9945987393046153
Energy: 0.8443606627497787
Energy: 0.9851680856896632
Energy: 0.8443606627497787
Energy: 0.9815894234274781
Energy: 0.8698881818879569
Energy: 0.9645660882176055
Energy: 0.8698881818879569
Energy: 0.9873419512069707
Energy: 0.8442877317037035
Energy: 0.9595692174870344
Energy: 0.8442877317037035
Energy: 0.9816078160419031
Energy: 0.9010352903770932
Energy: 0.9782884342498387
Energy: 0.9010352903770932
Energy: 0.974171412479283
Energy: 0.8444810712430743
Energy: 0.9626453052740731
Energy: 0.8444810712430743
Energy: 0.9690194733444198
Energy: 0.8878052687120501
Energy: 0.9782373991119593
Energy: 0.8878052687133015
Energy: 0.9810662504058097
Energy: 0.8444216986479997
Energy: 0.9556757635154711
Energy: 0.8444216986492509
Energy: 0.9815248850371822
Energy: 0.8578567028257584
Energy: 0.9676857452496597
Energy: 0.8578567028257584
Energy: 0.9319949431434529
Energy: 0.8443956765759021
Energy: 0.9643651764730116
Energy: 0.8443956765746508
Energy: 0.9314297760328605
Energy: 0.8575568259179899
Energy: 0.9958538055155478
Energy: 0.8575568259179899
Energy: 0.9985628038916853
Energy: 0.8441797572860462
Energy: 0.92445563295239
Energy: 0.8441797572847949
Energy: 0.9785715002978636
Energy: 0.844087015935631
Energy: 0.942069221436791
Energy: 0.8440870159368823
Energy: 0.9320683420402615
Energy: 0.8472506681987074
Energy: 0.9838171269127959
Energy: 0.8472506681987074
Energy: 0.9358026134921588
Energy: 0.9143905173214644
Energy: 0.9369353701208577
Energy: 0.9143905173202131
Energy: 0.9876301789743948
Energy: 0.8566454262707627
Energy: 0.9421240782744487
Energy: 0.8566454262707627
Energy: 0.932159135109191
Energy: 0.8771657232236194
Energy: 0.9771578482977366
Energy: 0.8771657232236194
Energy: 0.9678783175706716
Energy: 0.8761566580111078
Energy: 0.9854938976495693
Energy: 0.8761566580098564
Energy: 0.9926705442400744
Energy: 0.8794767766528198
Energy: 0.9633636348480399
Energy: 0.8794767766540711
Energy: 0.9946571714788829
Energy: 0.8565153971670689
Energy: 0.9420973773656119
Energy: 0.8565153971658177
Energy: 0.9784335306159389
Energy: 0.8577865454230851
Energy: 0.9767455277246205
Energy: 0.8577865454230851
Energy: 0.9321349401773803
Energy: 0.8473800085283323
Energy: 0.9861161599247364
Energy: 0.847380008527081
Energy: 0.9667058410455397
Energy: 0.8552897866859589
Energy: 0.9956940523276023
Energy: 0.8552897866859589
Energy: 0.9935911925315365
Energy: 0.8440938159512424
Energy: 0.9243656571581752
Energy: 0.8440938159512424
Energy: 0.981794920266698
Energy: 0.843802587428525
Energy: 0.9680490326063373
Energy: 0.843802587428525
Energy: 0.9325293394104635
Energy: 0.844238429712678
Energy: 0.9585370479331553
Energy: 0.844238429712678
Energy: 0.931359140064317
Energy: 0.8573309089096293
Energy: 1.0030669708433426
Energy: 0.8573309089108805

minimum gb energy = 0.843802587428525 eV
minimum distance =  2.31376987475248 Angstroms
sigma value = 15


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

Energy: 0.9703368352508303
Energy: 0.8148750346852093
Energy: 1.0432204324955734
Energy: 0.8148750346841492
Energy: 0.9242778412106594
Energy: 0.8687669292247245
Energy: 0.9153385887343789
Energy: 0.8687669292247245
Energy: 0.913424335282965
Energy: 0.805098321227042
Energy: 0.9450982595973247
Energy: 0.805098321227042
Energy: 0.9119667993907625
Energy: 0.8173007649927679
Energy: 0.9155555808133753
Energy: 0.8173007649906477
Energy: 0.9309109028436147
Energy: 0.7932571818301289
Energy: 0.907404171323639
Energy: 0.7932571818301289
Energy: 0.9119434385940359
Energy: 0.8528020350700816
Energy: 0.9132770482438788
Energy: 0.8528020350700816
Energy: 0.917584878451231
Energy: 0.7829980165599598
Energy: 0.9399625119513901
Energy: 0.78299801656208
Energy: 0.9038985975394843
Energy: 0.8534075340968634
Energy: 0.9132794851972107
Energy: 0.8534075340968634
Energy: 0.9322730227390569
Energy: 0.7816775246783126
Energy: 0.8948439799770417
Energy: 0.7816775246804326
Energy: 0.9035983524361867
Energy: 0.7983800215595361
Energy: 0.9153774917835649
Energy: 0.7983800215616561
Energy: 0.9065171533107584
Energy: 0.7817344324090594
Energy: 0.9112766339996492
Energy: 0.7817344324101193
Energy: 0.9131690132531659
Energy: 0.8178097202474135
Energy: 0.9148469502938262
Energy: 0.8178097202484734
Energy: 0.9133082175393474
Energy: 0.7818707004174567
Energy: 0.894487017425829
Energy: 0.7818707004174567
Energy: 0.9132132133862501
Energy: 0.8095749967907585
Energy: 0.9074712154575001
Energy: 0.8095749967896985
Energy: 0.9077429172872156
Energy: 0.7818943224173155
Energy: 0.8980207272999392
Energy: 0.7818943224173155
Energy: 0.912729978067579
Energy: 0.8094121746910121
Energy: 0.914907260181749
Energy: 0.8094121746899521
Energy: 0.9103096473127226
Energy: 0.7818050338593886
Energy: 0.9059718896675037
Energy: 0.7818050338593886
Energy: 0.9206923216552682
Energy: 0.7904297051601521
Energy: 0.877672557789418
Energy: 0.7904297051601521
Energy: 0.8717329315433838
Energy: 0.7816370980457599
Energy: 0.8985154048235462
Energy: 0.7816370980457599
Energy: 0.9063183061984589
Energy: 0.7980871894449574
Energy: 0.9091522699274878
Energy: 0.7980871894449574
Energy: 0.9216268552675427
Energy: 0.7834136648017551
Energy: 0.8778180998599836
Energy: 0.7834136648006951
Energy: 0.9228838734034986
Energy: 0.846037927057086
Energy: 0.9056011688085621
Energy: 0.846037927057086
Energy: 0.8809223765066169
Energy: 0.7930837890039929
Energy: 0.9087217356848373
Energy: 0.7930837890018729
Energy: 0.9150306431131632
Energy: 0.8585042141213978
Energy: 0.9214900442026098
Energy: 0.8585042141203377
Energy: 0.911495671081379
Energy: 0.8047668956667682
Energy: 0.8960161979134935
Energy: 0.8047668956678282
Energy: 0.8794059919230316
Energy: 0.8616382361185793
Energy: 0.9235920347760799
Energy: 0.8616382361206992
Energy: 0.9068479610266852
Energy: 0.8148040835491716
Energy: 0.9102794788926784
Energy: 0.8148040835481114
Energy: 0.9242938001007202
Energy: 0.8568103600484145
Energy: 0.9210256939118184
Energy: 0.8568103600494745
Energy: 0.9180417796886892
Energy: 0.8019143581013399
Energy: 0.8960971783249136
Energy: 0.8019143581024
Energy: 0.9227365120368513
Energy: 0.8041242030959905
Energy: 0.9234112620187929
Energy: 0.8041242030949305
Energy: 0.8811759378102914
Energy: 0.7902420375045989
Energy: 0.9099859159776751
Energy: 0.7902420375024787
Energy: 0.9148906757699466
Energy: 0.8033965197973333
Energy: 0.9094061875307548
Energy: 0.8033965197994533
Energy: 0.9175191076495135
Energy: 0.7834183123152946
Energy: 0.8781415032973546
Energy: 0.7834183123163545
Energy: 0.9209710686439968
Energy: 0.7883552375436419
Energy: 0.9054887444918187
Energy: 0.7883552375425819
Energy: 0.8718706529558158
Energy: 0.7819198419835434
Energy: 0.9093925836316165
Energy: 0.7819198419824833
Energy: 0.9075872693468569
Energy: 0.7976396428247762
Energy: 0.9153674567748546
Energy: 0.7976396428247762
Energy: 0.9026937868805699
Energy: 0.7820741038512549
Energy: 0.905608640236805
Energy: 0.782074103852315

minimum gb energy = 0.7816370980457599 eV
minimum distance =  2.31700218124448 Angstroms
sigma value = 85


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

Energy: 0.9523086854649829
Energy: 0.7594090048903555
Energy: 0.9203613108675878
Energy: 0.7594090048903555
Energy: 0.8311832380073219
Energy: 0.7135881505961443
Energy: 0.8365539661708975
Energy: 0.7135881505961443
Energy: 0.8280350606603594
Energy: 0.7575842030090263
Energy: 0.915821736443276
Energy: 0.7575842030090263
Energy: 0.8233516880040608
Energy: 0.758902201022084
Energy: 0.8366120757229865
Energy: 0.758902201022084
Energy: 0.8989071368567868
Energy: 0.7248453964927262
Energy: 0.8281724912517882
Energy: 0.7248453964918068
Energy: 0.8231025948417926
Energy: 0.762036204563006
Energy: 0.8305217936624034
Energy: 0.762036204563006
Energy: 0.8416693075974031
Energy: 0.7262014156025343
Energy: 0.878499634475977
Energy: 0.7262014156025343
Energy: 0.8327886398718733
Energy: 0.7697294483274432
Energy: 0.8304744760610475
Energy: 0.7697294483274432
Energy: 0.8812217867913178
Energy: 0.7081738204503215
Energy: 0.8571944827112573
Energy: 0.7081738204503215
Energy: 0.8329078293922296
Energy: 0.7821938149722847
Energy: 0.8369447972112217
Energy: 0.7821938149722847
Energy: 0.8179160877800945
Energy: 0.7081620963130748
Energy: 0.8682183934565131
Energy: 0.7081620963139942
Energy: 0.8529343332857856
Energy: 0.7213565062556939
Energy: 0.8365114195817205
Energy: 0.7213565062556939
Energy: 0.8407430586431909
Energy: 0.7084344646026438
Energy: 0.8344724892054683
Energy: 0.7084344646026438
Energy: 0.8526075902057593
Energy: 0.7523276126732015
Energy: 0.85141547476345
Energy: 0.7523276126732015
Energy: 0.8139323077206342
Energy: 0.7083736044954283
Energy: 0.8446486215321815
Energy: 0.7083736044963476
Energy: 0.8465685786736366
Energy: 0.7514542505189934
Energy: 0.8509109365304557
Energy: 0.7514542505180739
Energy: 0.8178157356255247
Energy: 0.7082166531196883
Energy: 0.8338920552214469
Energy: 0.7082166531196883
Energy: 0.8524500817613119
Energy: 0.7511999369118961
Energy: 0.8509901948107683
Energy: 0.7511999369118961
Energy: 0.8294492239863221
Energy: 0.7081362447786224
Energy: 0.8399388155648241
Energy: 0.7081362447786224
Energy: 0.8181302563392222
Energy: 0.7206663095846703
Energy: 0.8499568929144445
Energy: 0.7206663095855896
Energy: 0.8168191801884378
Energy: 0.708250406613019
Energy: 0.8081269744877866
Energy: 0.708250406613019
Energy: 0.8334838783368178
Energy: 0.7224843026195086
Energy: 0.8369896859143326
Energy: 0.7224843026195086
Energy: 0.8133682121513043
Energy: 0.7076946457655212
Energy: 0.8546478123026681
Energy: 0.7076946457646018
Energy: 0.8335562213973231
Energy: 0.7690783308011244
Energy: 0.82591321142002
Energy: 0.7690783308011244
Energy: 0.8443194039935543
Energy: 0.7253256245510007
Energy: 0.813536240741708
Energy: 0.7253256245510007
Energy: 0.8231503201741653
Energy: 0.7618183526813603
Energy: 0.8306051149888182
Energy: 0.7618183526822796
Energy: 0.8317417025232238
Energy: 0.7247076597620928
Energy: 0.8289169011836584
Energy: 0.7247076597630121
Energy: 0.8425686617618112
Energy: 0.7650950171487413
Energy: 0.8175895474001222
Energy: 0.7650950171487413
Energy: 0.8264777086588834
Energy: 0.7576034137356505
Energy: 0.8307494396690267
Energy: 0.7576034137356505
Energy: 0.8144014788759836
Energy: 0.7614626633042051
Energy: 0.8364682570047889
Energy: 0.7614626633042051
Energy: 0.8663681434835726
Energy: 0.7593295306141497
Energy: 0.8305279882540578
Energy: 0.7593295306141497
Energy: 0.8642116215376558
Energy: 0.7270629912096845
Energy: 0.8172104434232286
Energy: 0.7270629912087653
Energy: 0.8264120295521282
Energy: 0.757673488158533
Energy: 0.8308367952061925
Energy: 0.757673488158533
Energy: 0.8231482534767326
Energy: 0.7082663253805234
Energy: 0.8368360445515698
Energy: 0.7082663253805234
Energy: 0.8318619145324153
Energy: 0.7247227772931419
Energy: 0.8302276263368461
Energy: 0.7247227772931419
Energy: 0.8425126250798619
Energy: 0.7066337825384064
Energy: 0.825668796569836
Energy: 0.7066337825393256
Energy: 0.8415844954654703
Energy: 0.7252591112463035
Energy: 0.81349711526036
Energy: 0.7252591112463035
Energy: 0.8337007858280779
Energy: 0.7072838847103888
Energy: 0.8306207512226026
Energy: 0.7072838847103888
Energy: 0.8135196270172254
Energy: 0.7076116621751526
Energy: 0.8544882218765069
Energy: 0.7076116621751526
Energy: 0.8361336810603479
Energy: 0.7071561765178037
Energy: 0.8498881828150396
Energy: 0.7071561765178037
Energy: 0.8150952452118727
Energy: 0.7075316528009282
Energy: 0.8081803747539937
Energy: 0.7075316528018475
Energy: 0.853272894152241
Energy: 0.7224888445338806
Energy: 0.8365064664809846
Energy: 0.7224888445329611
Energy: 0.8294596990817785
Energy: 0.7061331835529635
Energy: 0.8369549109789801
Energy: 0.7061331835529635

minimum gb energy = 0.7061331835529635 eV
minimum distance =  2.32160490012914 Angstroms
sigma value = 113


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

Energy: 0.014949791526781766
Energy: 0.015217212137830612
Energy: 1.4711197585763576
Energy: 0.01521721213853738
Energy: 0.015907148469922743
Energy: 0.6808563705262263
Energy: 0.015907148469922743
Energy: 0.6808563705262263
Energy: 1.4711197585763576
Energy: 0.015217212137830612
Energy: 0.014949791526781766
Energy: 0.015217212137830612
Energy: 0.015907148469922743
Energy: 0.6808563705262263
Energy: 0.015907148469922743
Energy: 0.6808563705262263
Energy: 0.014949791526781766
Energy: 0.015217212137830612
Energy: 1.4711197585763576
Energy: 0.015217212137830612
Energy: 0.015907148469922743
Energy: 0.6808563705262263
Energy: 0.015907148469922743
Energy: 0.6808563705262263

minimum gb energy = 0.014949791526781766 eV
minimum distance =  2.45743958701724 Angstroms
sigma value = 1