Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
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=2.863645777106285
cohesive_energy=4.290547129999928
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: 0.013216707182340543
Energy: 0.013578586271113708
Energy: 3.1975784259859323
Energy: 0.013578586271113708
Energy: 0.013578586271113708
Energy: 0.014137923402802215
Energy: 0.5545933622801675
Energy: 0.014137923402802215
Energy: 3.1975784259859323
Energy: 0.5545933622801675
Energy: 0.5542297055411131
Energy: 0.5545933622801675
Energy: 0.013578586271113708
Energy: 0.014137923402802215
Energy: 0.5545933622801675
Energy: 0.014137923402802215

minimum gb energy = 0.013216707182340543 eV
minimum distance =  2.47545356500159 Angstroms
sigma value = 1


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

Energy: 1.4473499909853473
Energy: 1.237579822414765
Energy: 2.520238702779442
Energy: 1.2375798224159773
Energy: 1.4406086570255767
Energy: 0.8924090570606678
Energy: 0.936724812008742
Energy: 0.8924090570606678
Energy: 1.662110953513881
Energy: 0.9351592091628017
Energy: 0.9145072758552193
Energy: 0.9351592091628017
Energy: 1.2539784234420561
Energy: 0.8933310917398336
Energy: 0.936152072345865
Energy: 0.8933310917398336
Energy: 1.2504630547587623
Energy: 0.8933726997451449
Energy: 1.304487346416766
Energy: 0.8933726997451449
Energy: 1.4559010616533843
Energy: 0.8982379525382692
Energy: 0.8981945614882445
Energy: 0.8982379525370571
Energy: 1.0829129097636556
Energy: 0.8982454339364814
Energy: 0.8982193473944193
Energy: 0.8982454339364814
Energy: 0.8945798184471541
Energy: 0.8964067071620976
Energy: 1.2962485053208344
Energy: 0.8964067071608853
Energy: 1.0930161701441943
Energy: 1.0569450738076207
Energy: 1.2562144555683064
Energy: 1.0569450738064083
Energy: 1.5060719774922255
Energy: 0.8986342254924966
Energy: 1.0911517907697683
Energy: 0.8986342254924966
Energy: 0.9119933662649292
Energy: 0.9592722846058215
Energy: 1.2583589915015085
Energy: 0.9592722846058215
Energy: 0.9122327206801122
Energy: 0.9121132345021472
Energy: 1.8988970864808845
Energy: 0.9121132345009351
Energy: 1.1030596149200733
Energy: 0.959345460092124
Energy: 1.2539386488944717
Energy: 0.959345460092124
Energy: 0.9334916026951453
Energy: 0.9593046853216205
Energy: 1.2535338719540057
Energy: 0.9593046853216205
Energy: 0.9332483532474207
Energy: 0.8971049742833659
Energy: 1.443341508518113
Energy: 0.8971049742833659
Energy: 0.9333617346496342
Energy: 0.8973300676253886
Energy: 1.4434687659681142
Energy: 0.8973300676253886
Energy: 0.9376056326574617
Energy: 1.0535600513669956
Energy: 1.2533169130531383
Energy: 1.0535600513657835
Energy: 1.1032878425494992
Energy: 0.9590933980931158
Energy: 1.2530169843152525
Energy: 0.9590933980931158
Energy: 0.9159799689319471
Energy: 0.9121463747878191
Energy: 1.9568758621753528
Energy: 0.9121463747878191
Energy: 0.912105256525718
Energy: 0.95934076266314
Energy: 1.0872003303088627
Energy: 0.95934076266314
Energy: 1.507267756114936
Energy: 0.8987789230792301
Energy: 1.0899660933713708
Energy: 0.8987789230804423
Energy: 1.0922531937306927
Energy: 0.8934879997263991
Energy: 1.2562362210432922
Energy: 0.8934879997263991
Energy: 1.0951288756278117
Energy: 0.8963820342409415
Energy: 1.0968998911822114
Energy: 0.8963820342409415
Energy: 1.2713547579514621
Energy: 0.8984262856764942
Energy: 0.8982022859459413
Energy: 0.8984262856764942
Energy: 1.4551124277893912
Energy: 0.8982522825835882
Energy: 0.8982429877821132
Energy: 0.8982522825848004
Energy: 1.25037295760155
Energy: 0.8935480411460435
Energy: 1.3045078045614187
Energy: 0.8935480411460435
Energy: 1.2515040283169803
Energy: 0.893346341460823
Energy: 0.9351975286405048
Energy: 0.8933463414620353
Energy: 1.6635365798272745
Energy: 0.9351279001404209
Energy: 0.9151094207583682
Energy: 0.9351279001392088
Energy: 1.440954819556196
Energy: 0.8923585601444136
Energy: 0.9366640609257292
Energy: 0.8923585601456259
Energy: 1.264254265823451
Energy: 0.8975236967562689
Energy: 0.9351931728529512
Energy: 0.8975236967562689
Energy: 1.4424502097307097
Energy: 0.8923752130525173
Energy: 0.9243004536421159
Energy: 0.8923752130525173
Energy: 1.454677700415685
Energy: 0.9105329166351606
Energy: 0.9151321322774649
Energy: 0.9105329166339483
Energy: 1.2504048302137727
Energy: 0.8934775935466011
Energy: 0.9785625319016331
Energy: 0.8934775935466011

minimum gb energy = 0.8923585601444136 eV
minimum distance =  2.3479969870709 Angstroms
sigma value = 1


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

Energy: 1.579801149149367
Energy: 0.9408956819766666
Energy: 2.5930906510164213
Energy: 0.9408956819780486
Energy: 1.3236033612491276
Energy: 0.920714176512006
Energy: 1.0230434963548507
Energy: 0.9207141765133883
Energy: 1.3514098742695562
Energy: 0.9653736862757585
Energy: 0.9655787756998484
Energy: 0.9653736862757585
Energy: 0.9193626660389356
Energy: 0.9436358953551636
Energy: 1.0231344422664905
Energy: 0.9436358953565458
Energy: 0.9194088500874663
Energy: 0.945017286853963
Energy: 1.4359689218848486
Energy: 0.945017286853963
Energy: 1.3513176757833067
Energy: 0.9437196595477267
Energy: 0.9437403705296694
Energy: 0.9437196595477267
Energy: 0.9679111846487931
Energy: 0.9940207090039613
Energy: 0.9435904596230758
Energy: 0.9940207090039613
Energy: 0.9437595781424499
Energy: 0.9435815432888289
Energy: 1.43527662208649
Energy: 0.9435815432888289
Energy: 0.9662023393082095
Energy: 0.9196637647042225
Energy: 1.3538712811550022
Energy: 0.9196637647028404
Energy: 1.0228906452288082
Energy: 0.9193758432914665
Energy: 0.9193252292567982
Energy: 0.9193758432928486
Energy: 0.9450512428230893
Energy: 1.1121949257405634
Energy: 1.3545304748411662
Energy: 1.1121949257405634
Energy: 0.9444016932416387
Energy: 0.9439928516429256
Energy: 1.8148803285009396
Energy: 0.9439928516429256
Energy: 1.0233047822569001
Energy: 0.9199491577181387
Energy: 1.3224792775813077
Energy: 0.9199491577181387
Energy: 1.0233047822582824
Energy: 0.9195093318062907
Energy: 1.3224690205050955
Energy: 0.9195093318062907
Energy: 0.9444922766046643
Energy: 0.9439654594368321
Energy: 1.8148396472509358
Energy: 0.9439654594368321
Energy: 0.9450949728580169
Energy: 1.112239270965725
Energy: 1.3544985983274664
Energy: 1.112239270965725
Energy: 1.0228906452274258
Energy: 0.9193707027969786
Energy: 0.9193309447281667
Energy: 0.9193707027969786
Energy: 0.9660086322705255
Energy: 0.9195788880579003
Energy: 1.3538232376970756
Energy: 0.9195788880579003
Energy: 0.9436609044252507
Energy: 0.9435824151671982
Energy: 1.435276622085108
Energy: 0.9435824151671982
Energy: 0.9676234235174045
Energy: 0.9940842098745882
Energy: 0.9437445740940801
Energy: 0.9940842098745882
Energy: 1.3513193116252107
Energy: 0.9437637235724259
Energy: 0.9437386825767712
Energy: 0.9437637235724259
Energy: 0.9193017790253624
Energy: 0.9457576638774162
Energy: 1.4359689218876128
Energy: 0.9457576638760341
Energy: 0.919359075329987
Energy: 0.943813562860768
Energy: 1.0231344422664905
Energy: 0.94381356286215
Energy: 1.3513512776960355
Energy: 0.9653824302734333
Energy: 0.9655425765221297
Energy: 0.9653824302734333
Energy: 1.3239275859662556
Energy: 0.920525368340673
Energy: 1.0230434963534685
Energy: 0.9205253683392907
Energy: 1.579801149149367
Energy: 0.9408956819766666
Energy: 2.5930906510178033
Energy: 0.9408956819766666
Energy: 1.3236033612477454
Energy: 0.920714176512006
Energy: 1.0230434963548507
Energy: 0.9207141765106239
Energy: 1.3514098742681742
Energy: 0.9653736862757585
Energy: 0.9655787756998484
Energy: 0.9653736862757585
Energy: 0.9193626660389356
Energy: 0.9436358953551636
Energy: 1.0231344422664905
Energy: 0.9436358953551636

minimum gb energy = 0.9193017790253624 eV
minimum distance =  2.33627418754058 Angstroms
sigma value = 25


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

Energy: 1.3532945268898673
Energy: 1.1114536125810135
Energy: 2.546279612938011
Energy: 1.1114536125826202
Energy: 1.444278204321393
Energy: 0.9934105874317892
Energy: 1.068670851608495
Energy: 0.9934105874317892
Energy: 1.4608076974186741
Energy: 1.024089524581618
Energy: 1.0242879084342769
Energy: 1.0240895245832249
Energy: 1.2560305192060512
Energy: 0.9888773511715829
Energy: 1.0686940440351116
Energy: 0.9888773511699764
Energy: 1.255200794438995
Energy: 0.9885321990443982
Energy: 1.264077313410925
Energy: 0.9885321990443982
Energy: 1.4600779769267982
Energy: 0.9934156741848558
Energy: 0.9933065901894548
Energy: 0.9934156741848558
Energy: 1.0203880096427218
Energy: 0.988567495091703
Energy: 0.993275981981038
Energy: 0.988567495091703
Energy: 0.9980560369742918
Energy: 1.0198138419877356
Energy: 1.5385366392738469
Energy: 1.0198138419877356
Energy: 1.0735641228402648
Energy: 1.0771989331737326
Energy: 1.246450433423012
Energy: 1.0771989331737326
Energy: 1.0664651174616797
Energy: 0.9826914650208382
Energy: 1.2462936572404737
Energy: 0.9826914650208382
Energy: 1.0879059806806128
Energy: 0.9885302653532931
Energy: 1.4487541766529468
Energy: 0.9885302653532931
Energy: 1.0530212003603256
Energy: 1.0201028140729742
Energy: 1.448061275807675
Energy: 1.0201028140713677
Energy: 1.088006778870339
Energy: 0.9827623979876359
Energy: 1.246474614891537
Energy: 0.9827623979876359
Energy: 1.0737141789655658
Energy: 1.0772496966492289
Energy: 1.245955729218991
Energy: 1.0772496966492289
Energy: 1.019137148622018
Energy: 1.0198554978663696
Energy: 1.8027345802552401
Energy: 1.0198554978663696
Energy: 1.0199928167226142
Energy: 0.9885473897306155
Energy: 0.993337391980246
Energy: 0.9885473897306155
Energy: 1.7812798129715894
Energy: 0.9932855662732514
Energy: 0.9932932814654772
Energy: 0.9932855662732514
Energy: 1.2548926813425239
Energy: 0.9885194384998137
Energy: 1.2646965257620457
Energy: 0.9885194385014205
Energy: 1.2550039615307151
Energy: 0.9886091615939084
Energy: 1.0687241126562177
Energy: 0.9886091615939084
Energy: 1.2352500118493557
Energy: 0.9933211734547045
Energy: 1.0246324035283827
Energy: 0.9933211734563112
Energy: 1.4459800505724199
Energy: 0.9932318236608911
Energy: 1.0248309203149568
Energy: 0.9932318236608911
Energy: 1.2569520996420969
Energy: 0.9827187886370133
Energy: 1.0687583393960458
Energy: 0.9827187886354066
Energy: 1.4462929285019608
Energy: 1.0697954135857004
Energy: 1.0686139348893287
Energy: 1.0697954135857004
Energy: 1.610944773961519
Energy: 1.0325796836726004
Energy: 1.0332107439633464
Energy: 1.032579683670994
Energy: 1.2553512156708468
Energy: 0.9888102383838016
Energy: 1.015614934288725
Energy: 0.9888102383838016

minimum gb energy = 0.9826914650208382 eV
minimum distance =  2.34818765085216 Angstroms
sigma value = 9


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

Energy: 1.0015141219449843
Energy: 1.000537270713876
Energy: 2.668032692485727
Energy: 1.000537270713876
Energy: 1.0009758257624277
Energy: 1.0427278757795262
Energy: 1.0425458991435979
Energy: 1.0427278757797225
Energy: 1.093870845376774
Energy: 1.0940270673915313
Energy: 1.0940178830715106
Energy: 1.0940270673917272
Energy: 1.042674463813
Energy: 1.0426683461223962
Energy: 1.042627963581414
Energy: 1.0426683461225923
Energy: 1.042975943563315
Energy: 1.0434806114453141
Energy: 1.0939942659457471
Energy: 1.0434806114453141
Energy: 1.7951177235876905
Energy: 1.0428959074019504
Energy: 1.0426941825736689
Energy: 1.0428959074021464
Energy: 1.042598814636864
Energy: 1.0433569061377
Energy: 1.0429525035713612
Energy: 1.043356906137874
Energy: 1.042764117686194
Energy: 1.0435077803429926
Energy: 1.5917216383832313
Energy: 1.0435077803429926
Energy: 1.233141345191365
Energy: 1.0432997247264046
Energy: 1.0006077753497056
Energy: 1.0432997247262086
Energy: 1.2337168135945311
Energy: 1.0006188017204367
Energy: 1.000690444008754
Energy: 1.0006188017202406
Energy: 1.043587100327415
Energy: 1.1436000836839435
Energy: 1.591489246453992
Energy: 1.1436000836841393
Energy: 1.1332931350068007
Energy: 1.000543660592024
Energy: 1.0942612549544672
Energy: 1.0005436605918279
Energy: 1.2331078633453512
Energy: 1.042670893077898
Energy: 1.043159377547139
Energy: 1.0426708930780721
Energy: 1.0939939897430262
Energy: 1.097604602994733
Energy: 1.0939996142734112
Energy: 1.097604602994733
Energy: 1.043158682688762
Energy: 1.0426697757398544
Energy: 1.2331078633468975
Energy: 1.0426697757400505
Energy: 1.0940731324716033
Energy: 1.0005499624981011
Energy: 1.1332247119309737
Energy: 1.000549962497513
Energy: 1.5914457174829475
Energy: 1.1435893778038888
Energy: 1.043617815731897
Energy: 1.1435893778040631
Energy: 1.0005825300989393
Energy: 1.0006302113751402
Energy: 1.2337168135924184
Energy: 1.0006302113751402
Energy: 1.0005600055566184
Energy: 1.0432840599173587
Energy: 1.2331413451915394
Energy: 1.0432840599173587
Energy: 1.5916992660605565
Energy: 1.043411998074707
Energy: 1.0427542108013175
Energy: 1.0434119980745327
Energy: 1.0429305753057128
Energy: 1.0433126659235656
Energy: 1.0440128114711535
Energy: 1.04331266592374

minimum gb energy = 1.000537270713876 eV
minimum distance =  2.32129535508559 Angstroms
sigma value = 25


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

Energy: 1.1449206096352347
Energy: 1.1014742118454346
Energy: 2.489333646993539
Energy: 1.1014742118451923
Energy: 1.428251164201866
Energy: 1.197203592473826
Energy: 1.160926251467108
Energy: 1.1972035924735838
Energy: 1.2842748555760377
Energy: 1.1484082474767738
Energy: 1.1615828509481705
Energy: 1.1484082474767738
Energy: 1.1102084215272383
Energy: 1.1887620632448364
Energy: 1.1288884782572042
Energy: 1.1887620632443514
Energy: 1.1896870707284903
Energy: 1.1968005139146172
Energy: 1.4698039034637569
Energy: 1.1968005139146172
Energy: 1.5355576108579339
Energy: 1.142598661318333
Energy: 1.1424748811738026
Energy: 1.1425986613176327
Energy: 1.2427250090660211
Energy: 1.18976447276378
Energy: 1.1428399050060625
Energy: 1.189764472763295
Energy: 1.189456421280403
Energy: 1.2208809111271945
Energy: 1.4705449021231147
Energy: 1.2208809111271945
Energy: 1.2214771094929382
Energy: 1.1427480508365022
Energy: 1.1423835441089383
Energy: 1.1427480508365022
Energy: 1.2689017947081063
Energy: 1.1433482178278043
Energy: 1.1424151878960265
Energy: 1.143348217827077
Energy: 1.188785322194462
Energy: 1.1891634596522744
Energy: 1.5029635135781156
Energy: 1.1891634596520588
Energy: 1.1887535062701604
Energy: 1.1435036049138751
Energy: 1.130242578894596
Energy: 1.1435036049138751
Energy: 1.4163113421832891
Energy: 1.1482464739580829
Energy: 1.149701981634804
Energy: 1.148246473958783
Energy: 1.445998199859829
Energy: 1.1965816049365525
Energy: 1.285655871101237
Energy: 1.1965816049360944
Energy: 1.4462704104208357
Energy: 1.086366864358152
Energy: 1.2851439181181783
Energy: 1.0863668643576672
Energy: 1.427812215674001
Energy: 1.1344215896386616
Energy: 1.1290422820606205
Energy: 1.1344215896384189
Energy: 1.1889018937420628
Energy: 1.1427792069300786
Energy: 1.1492920928767132
Energy: 1.1427792069296205

minimum gb energy = 1.0863668643576672 eV
minimum distance =  2.3036528301257 Angstroms
sigma value = 17


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

Energy: 1.5653649551026398
Energy: 1.1633736505856296
Energy: 2.3710896241037545
Energy: 1.1633736505856296
Energy: 1.3833048484391683
Energy: 1.225201371283758
Energy: 1.2688261080924665
Energy: 1.225201371283758
Energy: 1.3831467058217366
Energy: 1.2110956246121072
Energy: 1.1914455209572938
Energy: 1.2110956246121072
Energy: 1.184838321732696
Energy: 1.1828229815068685
Energy: 1.2342608112600841
Energy: 1.1828229815068685
Energy: 1.2223307174661706
Energy: 1.224831791354664
Energy: 1.4176592092974114
Energy: 1.224831791354664
Energy: 1.4109830171894973
Energy: 1.162056232148962
Energy: 1.2070592514559233
Energy: 1.1620562321476195
Energy: 1.3105459515599271
Energy: 1.1839490355431186
Energy: 1.3757487632702916
Energy: 1.1839490355431186
Energy: 1.2165321878471154
Energy: 1.182280387226504
Energy: 1.4642821805659672
Energy: 1.182280387226504
Energy: 1.196823565694306
Energy: 1.2274260572998719
Energy: 1.1682483874136311
Energy: 1.2274260572985294
Energy: 1.409965659624748
Energy: 1.1639024320992715
Energy: 1.22998715725761
Energy: 1.163902432097929
Energy: 1.2096847992613038
Energy: 1.2097376940862505
Energy: 1.4354094818930738
Energy: 1.2097376940862505
Energy: 1.2095327727969387
Energy: 1.2278813851831125
Energy: 1.2608346082108068
Energy: 1.2278813851831125
Energy: 1.3942523228909351
Energy: 1.2408204683831952
Energy: 1.2616105831022384
Energy: 1.2408204683845376
Energy: 1.209519062355853
Energy: 1.2101812762956705
Energy: 1.2440320986099278
Energy: 1.2101812762956705
Energy: 1.209989658113353
Energy: 1.1792672153020836
Energy: 1.4460077471083135
Energy: 1.179267215300741
Energy: 1.441320361681569
Energy: 1.2276746850106544
Energy: 1.1681030069394587
Energy: 1.2276746850106544
Energy: 1.2181004144954741
Energy: 1.2697527719608186
Energy: 1.2274577783510487
Energy: 1.2697527719608186
Energy: 1.1972179463506962
Energy: 1.25291343268702
Energy: 1.3945380174041044
Energy: 1.2529134326856777
Energy: 1.2974002275535723
Energy: 1.1628704980657982
Energy: 1.3646455242455597
Energy: 1.162870498064456
Energy: 1.4058063568600982
Energy: 1.1624060052279346
Energy: 1.3648254831586193
Energy: 1.1624060052279346
Energy: 1.1821212320619645
Energy: 1.2596130181993939
Energy: 1.4368867866468793
Energy: 1.2596130181993939
Energy: 1.1821591935404818
Energy: 1.2758874270942973
Energy: 1.2108064098616176
Energy: 1.2758874270942973
Energy: 1.4040492897862278
Energy: 1.2108639283144542
Energy: 1.2108999477741382
Energy: 1.2108639283144542
Energy: 1.3628337679973992
Energy: 1.1685951067919036
Energy: 1.30391842518325
Energy: 1.1685951067905611
Energy: 1.3628057081746867
Energy: 1.1674124705267226
Energy: 1.3786677398871323
Energy: 1.16741247052538
Energy: 1.4116340343980107
Energy: 1.209728697742064
Energy: 1.2110545270632382
Energy: 1.209728697742064
Energy: 1.1788862287987367
Energy: 1.2280940164912835
Energy: 1.2112282461111994
Energy: 1.2280940164926257
Energy: 1.182870336099234
Energy: 1.1822492505399962
Energy: 1.4430097195460234
Energy: 1.1822492505399962
Energy: 1.3770521398725397
Energy: 1.1624635160952963
Energy: 1.3667559919209138
Energy: 1.1624635160952963
Energy: 1.2571753893371687
Energy: 1.1621166406542403
Energy: 1.2051375412406873
Energy: 1.1621166406542403

minimum gb energy = 1.1620562321476195 eV
minimum distance =  2.30777969478669 Angstroms
sigma value = 53


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

Energy: 1.194368050707642
Energy: 1.1974573788650116
Energy: 2.5181446181350475
Energy: 1.1974573788656437
Energy: 1.2762427712028193
Energy: 1.1955571087399683
Energy: 1.1944194760571916
Energy: 1.1955571087402843
Energy: 1.1942722025346693
Energy: 1.2971494268623989
Energy: 1.3068063606369058
Energy: 1.297149426862715
Energy: 1.3067930579729652
Energy: 1.2971287555907751
Energy: 1.1942069925791
Energy: 1.2971287555904942
Energy: 1.1942325193256107
Energy: 1.197369116919226
Energy: 1.2763903811471489
Energy: 1.197369116919226
Energy: 2.518144618136312
Energy: 1.1974573788653275
Energy: 1.1943680507073258
Energy: 1.1974573788646954
Energy: 1.1944194760571916
Energy: 1.1955571087402843
Energy: 1.2762427712025033
Energy: 1.1955571087399683
Energy: 1.306806360637187
Energy: 1.2971494268623989
Energy: 1.1942722030811346
Energy: 1.297149426862715
Energy: 1.1942069926829142
Energy: 1.2971287555907751
Energy: 1.306793057972684
Energy: 1.2971287555904942
Energy: 1.276390381147465
Energy: 1.197369116919226
Energy: 1.1942325193252945
Energy: 1.1973691169189098
Energy: 1.194368050707958
Energy: 1.1974573788650116
Energy: 2.51814461813568
Energy: 1.1974573788646954
Energy: 1.276242771201906
Energy: 1.1955571087402843
Energy: 1.1944194760574722
Energy: 1.1955571087399683
Energy: 1.1942722036205056
Energy: 1.297149426862715
Energy: 1.3068063606369058
Energy: 1.297149426862715

minimum gb energy = 1.1942069925791 eV
minimum distance =  2.31510413393144 Angstroms
sigma value = 9


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

Energy: 1.3936258960791026
Energy: 1.28668792856092
Energy: 2.259560890082038
Energy: 1.28668792856092
Energy: 1.5522938914398114
Energy: 1.2782020851089646
Energy: 1.3931767259228574
Energy: 1.2782020851089646
Energy: 1.3226782771909937
Energy: 1.2510204970411836
Energy: 1.251269649233255
Energy: 1.2510204970411836
Energy: 1.2618500221828772
Energy: 1.2748674012088825
Energy: 1.3653396416698105
Energy: 1.2748674012077386
Energy: 1.3187485817244673
Energy: 1.2377827578998455
Energy: 1.5555465530269172
Energy: 1.2377827578998455
Energy: 1.5195802140860846
Energy: 1.3491133385220615
Energy: 1.391087271167471
Energy: 1.3491133385220615
Energy: 1.3810409304721798
Energy: 1.3282461780418418
Energy: 1.5785059285227692
Energy: 1.3282461780418418
Energy: 1.2379194657141332
Energy: 1.282840552420173
Energy: 1.325526727386479
Energy: 1.282840552419029
Energy: 1.3303756171775156
Energy: 1.2513992120635307
Energy: 1.2863901491081047
Energy: 1.2513992120646744
Energy: 1.3979813124076161
Energy: 1.2514384765106257
Energy: 1.3497547471725444
Energy: 1.2514384765094817
Energy: 1.2625119426552782
Energy: 1.3574486732665478
Energy: 1.5482132288430273
Energy: 1.3574486732665478
Energy: 1.5957431918292222
Energy: 1.3344737632532417
Energy: 1.326052857477595
Energy: 1.3344737632532417
Energy: 1.31233853533185
Energy: 1.2664419808826424
Energy: 1.269007665193391
Energy: 1.2664419808826424
Energy: 1.3167834319932887
Energy: 1.3252494874806975
Energy: 1.4180066349749612
Energy: 1.3252494874818415
Energy: 1.321705938982206
Energy: 1.282996975498796
Energy: 1.2662782054164197
Energy: 1.282996975498796
Energy: 1.5526905658204393
Energy: 1.2663906069653075
Energy: 1.2717291023409185
Energy: 1.2663906069641635
Energy: 1.430229507448105
Energy: 1.267086216802134
Energy: 1.6179297379636237
Energy: 1.2670862168009902
Energy: 1.2658035370661271
Energy: 1.3564703632444919
Energy: 1.345180526564473
Energy: 1.3564703632444919
Energy: 1.587469543277573
Energy: 1.3518879851755916
Energy: 1.3085248802163143
Energy: 1.3518879851744476
Energy: 1.2826407437118654
Energy: 1.2663284132118082
Energy: 1.2820310062386462
Energy: 1.2663284132106642
Energy: 1.2369388760938715
Energy: 1.2833568117334015
Energy: 1.3083875560018818
Energy: 1.2833568117322576
Energy: 1.53126916250288
Energy: 1.2375369689988456
Energy: 1.3885488584604295
Energy: 1.2375369689988456
Energy: 1.4166226045526242
Energy: 1.345956795267426
Energy: 1.3896815283680706
Energy: 1.3459567952685698
Energy: 1.3375781766644417
Energy: 1.357149929899842
Energy: 1.482491475154137
Energy: 1.357149929899842
Energy: 1.2607587025480573
Energy: 1.2830458577723842
Energy: 1.2508549813284477
Energy: 1.2830458577723842
Energy: 1.4917956785790951
Energy: 1.3101261172949223
Energy: 1.251390284845473
Energy: 1.3101261172949223
Energy: 1.472067845021438
Energy: 1.2330070191811766
Energy: 1.5645678565464407
Energy: 1.2330070191800329
Energy: 1.3927758398252477
Energy: 1.2328745583300442
Energy: 1.5638039501508392
Energy: 1.2328745583300442
Energy: 1.4777351048366043
Energy: 1.3107926588523577
Energy: 1.2989393872826787
Energy: 1.3107926588523577
Energy: 1.2604730325643378
Energy: 1.2837116090367608
Energy: 1.2508197368026583
Energy: 1.2837116090367608
Energy: 1.322814261991873
Energy: 1.354739632323411
Energy: 1.4886922251714887
Energy: 1.3547396323222671
Energy: 1.4168168418931144
Energy: 1.2373383650705423
Energy: 1.3923086681150583
Energy: 1.2373383650693983
Energy: 1.6240686839058447
Energy: 1.2373361163577907
Energy: 1.3956208213396035
Energy: 1.237336116356647
Energy: 1.2369721000280458
Energy: 1.283749381155686
Energy: 1.5697280654279442
Energy: 1.2837493811579737
Energy: 1.282529613825868
Energy: 1.2665458327082932
Energy: 1.2817521507612697
Energy: 1.2665458327082932

minimum gb energy = 1.2328745583300442 eV
minimum distance =  2.2704315767853 Angstroms
sigma value = 73


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

Energy: 1.444871982078593
Energy: 1.3572293341602213
Energy: 2.322570051042997
Energy: 1.3572293341600563
Energy: 1.469527117096509
Energy: 1.297798280686022
Energy: 1.4058529943469533
Energy: 1.2977982806858364
Energy: 1.3496400993013156
Energy: 1.31510031000186
Energy: 1.2293911353786366
Energy: 1.3151003100013032
Energy: 1.27651991241868
Energy: 1.2567539262619927
Energy: 1.372744497114083
Energy: 1.256753926262735
Energy: 1.4298763572921511
Energy: 1.2568320811067493
Energy: 1.4592713603063225
Energy: 1.2568320811074711
Energy: 1.670584770333425
Energy: 1.3796129122757625
Energy: 1.2399360681018319
Energy: 1.3796129122754122
Energy: 1.3165861392045424
Energy: 1.3001521686123538
Energy: 1.5045172142804113
Energy: 1.3001521686121684
Energy: 1.258614380621746
Energy: 1.2567845822901496
Energy: 1.3604610493639817
Energy: 1.2567845822894075
Energy: 1.527544110895801
Energy: 1.314811545645606
Energy: 1.3543923612282325
Energy: 1.314811545645606
Energy: 1.256838755213695
Energy: 1.3150953536004184
Energy: 1.3548559143923367
Energy: 1.3150953536009544
Energy: 1.2566710533277974
Energy: 1.2567422418646872
Energy: 1.6456703472825431
Energy: 1.2567422418652234
Energy: 1.5647629210498855
Energy: 1.2566901397994013
Energy: 1.4778387278289258
Energy: 1.25669013979903
Energy: 1.4283281486333037
Energy: 1.257044634252986
Energy: 1.2384456619350144
Energy: 1.2570446342531714
Energy: 1.3147847428420487
Energy: 1.4229172803985095
Energy: 1.5264114234054835
Energy: 1.422917280399046
Energy: 1.2761627431120606
Energy: 1.256658182817387
Energy: 1.2644013767359195
Energy: 1.2566581828175727
Energy: 1.407604490469136
Energy: 1.3151708261014805
Energy: 1.229635386130988
Energy: 1.3151708261022024
Energy: 1.4302850626964583
Energy: 1.2381394213224954
Energy: 1.6531899640641745
Energy: 1.2381394213230317
Energy: 1.4305589784816732
Energy: 1.2381932716685335
Energy: 1.6523943894806095
Energy: 1.2381932716685335
Energy: 1.5623887817642403
Energy: 1.3155665643245442
Energy: 1.2646219205140368
Energy: 1.3155665643243586
Energy: 1.276039175170566
Energy: 1.2568010954376327
Energy: 1.2294090713432446
Energy: 1.2568010954374473
Energy: 1.3504693169372266
Energy: 1.2774462347237483
Energy: 1.5287281300606685
Energy: 1.2774462347231912
Energy: 1.428324019611168
Energy: 1.2568458080328595
Energy: 1.2383444951651381
Energy: 1.2568458080332099

minimum gb energy = 1.2293911353786366 eV
minimum distance =  2.26831031494206 Angstroms
sigma value = 7


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

Energy: 1.5800888649769183
Energy: 1.3863481924866619
Energy: 2.3116376267903695
Energy: 1.3863481924866619
Energy: 1.5165223382272695
Energy: 1.3062379365262613
Energy: 1.3169789991953618
Energy: 1.3062379365249783
Energy: 1.2995852855199208
Energy: 1.279487913268051
Energy: 1.280951374647118
Energy: 1.279487913268051
Energy: 1.304837947045344
Energy: 1.2321414633299153
Energy: 1.2803038710014463
Energy: 1.2321414633286318
Energy: 1.3932880149120137
Energy: 1.2797129452470375
Energy: 1.2318034094359325
Energy: 1.2797129452470375
Energy: 1.8140634882494693
Energy: 1.231826173555418
Energy: 1.2346382185214237
Energy: 1.231826173555418
Energy: 1.2735172363116611
Energy: 1.314083174737398
Energy: 1.5851162412674609
Energy: 1.3140831747386814
Energy: 1.234777438032523
Energy: 1.2320927184745203
Energy: 1.3868977103754336
Energy: 1.2320927184745203
Energy: 1.622338205037925
Energy: 1.2797523250648914
Energy: 1.3163511962122156
Energy: 1.2797523250648914
Energy: 1.2795295745151682
Energy: 1.2319810699348124
Energy: 1.305173752924674
Energy: 1.2319810699348124
Energy: 1.2794539510802225
Energy: 1.2796302839439833
Energy: 1.3820255471796221
Energy: 1.2796302839439833
Energy: 1.7268358622945967
Energy: 1.2318988631115684
Energy: 1.4957668490106981
Energy: 1.2318988631115684
Energy: 1.7235378822257363
Energy: 1.2322903372132077
Energy: 1.4973945699929585
Energy: 1.2322903372132077
Energy: 1.2801430099762041
Energy: 1.2799762639588568
Energy: 1.6509934267639514
Energy: 1.27997626396014
Energy: 1.2793613121182792
Energy: 1.23193607898746
Energy: 1.2995605723356187
Energy: 1.23193607898746
Energy: 1.6212417668161598
Energy: 1.3820588462290964
Energy: 1.3141556558914862
Energy: 1.3820588462290964
Energy: 1.2315439611202474
Energy: 1.2320370444286843
Energy: 1.3869445010133783
Energy: 1.2320370444274011
Energy: 1.2319092295216056
Energy: 1.2796648679296945
Energy: 1.613545306488963
Energy: 1.2796648679296945
Energy: 1.829353150610867
Energy: 1.2318939002089095
Energy: 1.231676935428455
Energy: 1.2318939002089095
Energy: 1.3880097192493621
Energy: 1.2802830041855728
Energy: 1.2317128371274566
Energy: 1.2802830041855728
Energy: 1.299582375073681
Energy: 1.3139495899332465
Energy: 1.3996510998771312
Energy: 1.31394958993453
Energy: 1.29945995048002
Energy: 1.279936102331405
Energy: 1.28449699311544
Energy: 1.2799361023301217
Energy: 1.5165880921576198
Energy: 1.3081209307867998
Energy: 1.3156853543057132
Energy: 1.3081209307867998
Energy: 1.494782803979395
Energy: 1.2326343095690289
Energy: 1.7226364037590454
Energy: 1.2326343095690289
Energy: 1.5002277035914684
Energy: 1.23165360933418
Energy: 1.3018732845471006
Energy: 1.23165360933418
Energy: 1.3825883630253302
Energy: 1.2802256087509511
Energy: 1.2844388990998914
Energy: 1.2802256087509511
Energy: 1.3012705047075888
Energy: 1.2321450661333468
Energy: 1.2802041221471914
Energy: 1.2321450661333468
Energy: 1.3873804339439169
Energy: 1.2799771162457503
Energy: 1.5565005189695138
Energy: 1.279977116244467
Energy: 1.3868987458808564
Energy: 1.2317103729093586
Energy: 1.23151775061621
Energy: 1.2317103729093586
Energy: 1.5907860569053534
Energy: 1.3322730670549445
Energy: 1.5909825768766246
Energy: 1.3322730670549445
Energy: 1.231509046481228
Energy: 1.2317000023574463
Energy: 1.3868987458795732
Energy: 1.2317000023574463

minimum gb energy = 1.231509046481228 eV
minimum distance =  2.28879488771517 Angstroms
sigma value = 29


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

Energy: 1.1112512851210574
Energy: 1.199789011630526
Energy: 2.390904261632245
Energy: 1.199789011630973
Energy: 1.5771307307241562
Energy: 1.1905824770904625
Energy: 1.1976555369549122
Energy: 1.1905824770909095
Energy: 1.4486730560411814
Energy: 1.1676548798401982
Energy: 1.1689522138628736
Energy: 1.1676548798406452
Energy: 1.6281903238930906
Energy: 1.1998397335806985
Energy: 1.168378098825584
Energy: 1.1998397335806985
Energy: 1.663353882625404
Energy: 1.1677831244345391
Energy: 1.1681828807998489
Energy: 1.1677831244345391
Energy: 1.4485022308503475
Energy: 1.1689014369817223
Energy: 1.1677860394432402
Energy: 1.1689014369817223
Energy: 1.3193628282132521
Energy: 1.167612511673549
Energy: 1.8312345373804064
Energy: 1.167612511673549
Energy: 1.1097726022812495
Energy: 1.1692194947477474
Energy: 1.833585363539757
Energy: 1.1692194947473002
Energy: 1.615012288444861
Energy: 1.1981139675154684
Energy: 1.1985979440840804
Energy: 1.1981139675154684

minimum gb energy = 1.1097726022812495 eV
minimum distance =  2.34075016691072 Angstroms
sigma value = 5


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

Energy: 1.361887317259346
Energy: 1.2384343736530468
Energy: 2.11615991872506
Energy: 1.2384343736518344
Energy: 1.355998052000572
Energy: 1.212625341504919
Energy: 1.319804157851774
Energy: 1.212625341504919
Energy: 1.2750486437429396
Energy: 1.2675818702570543
Energy: 1.2659624777252225
Energy: 1.2675818702570543
Energy: 1.2749527610680609
Energy: 1.2767843395627045
Energy: 1.3436114488553106
Energy: 1.2767843395639165
Energy: 1.2065284690118798
Energy: 1.2667185102757108
Energy: 1.2386884902779138
Energy: 1.2667185102757108
Energy: 1.3390517070010395
Energy: 1.296202322860743
Energy: 1.2359679779413386
Energy: 1.2962023228619555
Energy: 1.3407252737329671
Energy: 1.2504253124755662
Energy: 1.393250626349766
Energy: 1.250425312474354
Energy: 1.3432164652211283
Energy: 1.2498872060100574
Energy: 1.518675886656453
Energy: 1.2498872060112693
Energy: 1.5440984246674425
Energy: 1.2300461164873535
Energy: 1.3331736117619264
Energy: 1.2300461164873535
Energy: 1.5459986751455315
Energy: 1.2303097119198432
Energy: 1.3361577121313137
Energy: 1.2303097119210555
Energy: 1.2658376856878506
Energy: 1.2677258621232521
Energy: 1.3049826415931773
Energy: 1.2677258621232521
Energy: 1.26685675255043
Energy: 1.2675576549745313
Energy: 1.2360023985757986
Energy: 1.2675576549757437
Energy: 1.3698494594011392
Energy: 1.318912290353866
Energy: 1.2347821505048422
Energy: 1.318912290353866
Energy: 1.2243551041573657
Energy: 1.2688449911871644
Energy: 1.2349058772801058
Energy: 1.2688449911859525
Energy: 1.2470567127732406
Energy: 1.3689762564580208
Energy: 1.4440005739134665
Energy: 1.3689762564592332
Energy: 1.587037113712692
Energy: 1.241164198572442
Energy: 1.3319814514130857
Energy: 1.241164198573654
Energy: 1.4394193296376032
Energy: 1.2314048102162898
Energy: 1.4601124719702396
Energy: 1.2314048102138653
Energy: 1.245100915735452
Energy: 1.2520045655179985
Energy: 1.5239478311644439
Energy: 1.2520045655179985
Energy: 1.3416254381248676
Energy: 1.247500608370805
Energy: 1.2952609904444654
Energy: 1.2475006083720168
Energy: 1.263437222061461
Energy: 1.267032369145695
Energy: 1.2408364289608065
Energy: 1.267032369144483
Energy: 1.264523861843427
Energy: 1.2761194836261083
Energy: 1.2961610477885455
Energy: 1.2761194836261083
Energy: 1.3544448344898976
Energy: 1.2671381242515753
Energy: 1.2499088257326976
Energy: 1.2671381242515753
Energy: 1.27524266115977
Energy: 1.266214279567916
Energy: 1.2517989776788836
Energy: 1.266214279567916
Energy: 1.4674502898731767
Energy: 1.227288636505782
Energy: 1.6487349341419508
Energy: 1.227288636505782
Energy: 1.4628884617901612
Energy: 1.2277319230465946
Energy: 1.7012109366441583
Energy: 1.2277319230465946
Energy: 1.4508317607446461
Energy: 1.2650112643271043
Energy: 1.2497142252446625
Energy: 1.2650112643271043
Energy: 1.2788762388286776
Energy: 1.2655913136029702
Energy: 1.2519634342776154
Energy: 1.265591313601758
Energy: 1.3026493481012766
Energy: 1.2775387605253585
Energy: 1.4082780734943035
Energy: 1.2775387605253585
Energy: 1.2651990217114268
Energy: 1.2673217338977432
Energy: 1.2381805262489263
Energy: 1.2673217338977432
Energy: 1.357285960329642
Energy: 1.3726424480805077
Energy: 1.302961011702644
Energy: 1.3726424480805077
Energy: 1.3386858962274057
Energy: 1.252503934410162
Energy: 1.3905826703305408
Energy: 1.2525039344113742
Energy: 1.3399924002662236
Energy: 1.2205237144736243
Energy: 1.5141920700207434
Energy: 1.2205237144736243
Energy: 1.705823948384292
Energy: 1.2325390897661936
Energy: 1.331275147478872
Energy: 1.2325390897649815

minimum gb energy = 1.2065284690118798 eV
minimum distance =  2.27511609378987 Angstroms
sigma value = 1


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

Energy: 1.2332228338477937
Energy: 1.1846681186407255
Energy: 2.1979896783320165
Energy: 1.1846681186407255
Energy: 1.180126801570961
Energy: 1.195090808158193
Energy: 1.2463980871582458
Energy: 1.195090808158193
Energy: 1.391377447536199
Energy: 1.2452521916213042
Energy: 1.308930249295296
Energy: 1.2452521916213042
Energy: 1.245584783069906
Energy: 1.2457162850358443
Energy: 1.2724858496644174
Energy: 1.2457162850358443
Energy: 1.1955173552137222
Energy: 1.1847797641214013
Energy: 1.1954519838203246
Energy: 1.1847797641214013
Energy: 1.1959803929689803
Energy: 1.2459791017902089
Energy: 1.195414227752187
Energy: 1.2459791017902089
Energy: 1.2728199614465723
Energy: 1.2454823279278215
Energy: 1.3895142425906952
Energy: 1.2454823279278215
Energy: 1.2771520635301694
Energy: 1.245191417052489
Energy: 1.3926075404427118
Energy: 1.245191417052489
Energy: 1.479296443300139
Energy: 1.1844829408347048
Energy: 1.2039919148055052
Energy: 1.1844829408347048
Energy: 1.479296443300139
Energy: 1.1844694573204397
Energy: 1.2039935183649975
Energy: 1.184469457322116
Energy: 1.2755926791716021
Energy: 1.2452207160872213
Energy: 1.3926075404427118
Energy: 1.2452207160872213
Energy: 1.2728000662710137
Energy: 1.2454951220140713
Energy: 1.3895142425923714
Energy: 1.2454951220140713
Energy: 1.1961132911759533
Energy: 1.2460470454102779
Energy: 1.1952904486801208
Energy: 1.2460470454102779
Energy: 1.1955161072286034
Energy: 1.1848133941140844
Energy: 1.195604001469666
Energy: 1.1848133941140844
Energy: 1.2454692487889822
Energy: 1.2455725305795764
Energy: 1.2724199067535107
Energy: 1.2455725305795764
Energy: 1.391377447536199
Energy: 1.2452512728122918
Energy: 1.308819298669076
Energy: 1.2452512728122918
Energy: 1.1801950017175618
Energy: 1.1947396050162382
Energy: 1.2463886240305622
Energy: 1.1947396050162382
Energy: 1.2332228338477937
Energy: 1.1846681186407255
Energy: 2.1979896783320165
Energy: 1.1846681186407255
Energy: 1.180126801570961
Energy: 1.195090808158193
Energy: 1.2463980871582458
Energy: 1.195090808158193
Energy: 1.391377447536199
Energy: 1.2452521916213042
Energy: 1.308930249295296
Energy: 1.2452521916213042
Energy: 1.245584783069906
Energy: 1.2457162850358443
Energy: 1.2724858496644174
Energy: 1.2457162850358443
Energy: 1.1955173552137222
Energy: 1.1847797641214013
Energy: 1.1954519838203246
Energy: 1.1847797641214013
Energy: 1.1959803929689803
Energy: 1.2459791017902089
Energy: 1.195414227752187
Energy: 1.2459791017902089
Energy: 1.2728199614465723
Energy: 1.2454823279278215
Energy: 1.3895142425906952
Energy: 1.2454823279278215

minimum gb energy = 1.180126801570961 eV
minimum distance =  2.28675475938109 Angstroms
sigma value = 17


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

Energy: 1.4190760548178332
Energy: 1.2189718683150526
Energy: 2.0036488139481574
Energy: 1.2189718683171242
Energy: 1.3133151242707115
Energy: 1.2241030369170154
Energy: 1.296456486277587
Energy: 1.2241030369170154
Energy: 1.2460187076681184
Energy: 1.2233012136011279
Energy: 1.237418879205336
Energy: 1.2233012136011279
Energy: 1.2739593468130304
Energy: 1.2346789456356873
Energy: 1.3800737680728696
Energy: 1.2346789456356873
Energy: 1.252461096024679
Energy: 1.2176779716760715
Energy: 1.2411856416895986
Energy: 1.2176779716729635
Energy: 1.2619523940152773
Energy: 1.2492090267032148
Energy: 1.2412139697507576
Energy: 1.2492090267011429
Energy: 1.2272860165383455
Energy: 1.2304818843338965
Energy: 1.2180964263978566
Energy: 1.2304818843338965
Energy: 1.2254533828684142
Energy: 1.2304425482972172
Energy: 1.2515273731859144
Energy: 1.2304425482961814
Energy: 1.4510938035162209
Energy: 1.2066986089050769
Energy: 1.3921749111577235
Energy: 1.206698608906113
Energy: 1.4908554421310305
Energy: 1.2069786544950292
Energy: 1.391299806566347
Energy: 1.2069786544950292
Energy: 1.2854769533417842
Energy: 1.2108193707389676
Energy: 1.252110127634233
Energy: 1.2108193707389676
Energy: 1.2825492941740233
Energy: 1.2110669684718391
Energy: 1.2502254697528912
Energy: 1.2110669684739113
Energy: 1.2702479826455468
Energy: 1.2361815890834167
Energy: 1.2414716697184691
Energy: 1.2361815890854886
Energy: 1.226731356976439
Energy: 1.2178737671122577
Energy: 1.2402044784848798
Energy: 1.2178737671112216
Energy: 1.2256788763619872
Energy: 1.2569772160445154
Energy: 1.2452671700494353
Energy: 1.2569772160445154
Energy: 1.2286169743447557
Energy: 1.2305387924748747
Energy: 1.2371926875618098
Energy: 1.2305387924759106
Energy: 1.3772214087679524
Energy: 1.2124957548936741
Energy: 1.2762434612477616
Energy: 1.2124957548936741
Energy: 1.279563727514884
Energy: 1.2199326193330726
Energy: 1.4726030411363134
Energy: 1.2199326193351445
Energy: 1.280523313464153
Energy: 1.2008345545514054
Energy: 1.2763761445621755
Energy: 1.2008345545503696
Energy: 1.5909536158834032
Energy: 1.2155339945220922
Energy: 1.2814857978085556
Energy: 1.2155339945200203
Energy: 1.2583471925034808
Energy: 1.3286295089738207
Energy: 1.3676263203003587
Energy: 1.3286295089727849
Energy: 1.2265417364589988
Energy: 1.2180816164518555
Energy: 1.2250792557865222
Energy: 1.2180816164518555
Energy: 1.3248666081822362
Energy: 1.3026129449212902
Energy: 1.276626201351687
Energy: 1.3026129449233619
Energy: 1.2193095148619961
Energy: 1.2311183178108276
Energy: 1.205324508231798
Energy: 1.2311183178108276
Energy: 1.220664463616625
Energy: 1.2580026693029653
Energy: 1.2924715476253248
Energy: 1.2580026693019295
Energy: 1.2476504458449291
Energy: 1.2182903981608664
Energy: 1.224076451529607
Energy: 1.2182903981619024
Energy: 1.3305269851407553
Energy: 1.2184598008198604
Energy: 1.286820839807225
Energy: 1.2184598008188245
Energy: 1.3839140524660032
Energy: 1.192558554262351
Energy: 1.6597771985853649
Energy: 1.1925585542613149
Energy: 1.3888192127017445
Energy: 1.1933379575277712
Energy: 1.5034782702920058
Energy: 1.1933379575246632
Energy: 1.2460769952065625
Energy: 1.21856421671265
Energy: 1.224288098565292
Energy: 1.218564216709542
Energy: 1.2491721151853559
Energy: 1.2186836739978866
Energy: 1.286979710482619
Energy: 1.2186836739978866
Energy: 1.2191953133678946
Energy: 1.256011020485439
Energy: 1.248429076096221
Energy: 1.256011020484403
Energy: 1.2207346434054025
Energy: 1.2315328382155866
Energy: 1.2032491436397958
Energy: 1.2315328382166226
Energy: 1.301926880691082
Energy: 1.2347161873292094
Energy: 1.2256266069517445
Energy: 1.2347161873302452
Energy: 1.2253396687017388
Energy: 1.2187865967824465
Energy: 1.2582341606094887
Energy: 1.2187865967824465
Energy: 1.3345541859594436
Energy: 1.1987669438971222
Energy: 1.3714374217457521
Energy: 1.198766943896086
Energy: 1.6446860662297151
Energy: 1.2102093777630505
Energy: 1.281153360589022
Energy: 1.2102093777630505
Energy: 1.3785686634530347
Energy: 1.1998827355819068
Energy: 1.2938978838864945
Energy: 1.199882735582943

minimum gb energy = 1.1925585542613149 eV
minimum distance =  2.28627739639757 Angstroms
sigma value = 89


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

Energy: 1.318331396256116
Energy: 1.1369149555471603
Energy: 2.032600672769245
Energy: 1.1369149555471603
Energy: 1.2192428654232124
Energy: 1.169950929530343
Energy: 1.2722142488781913
Energy: 1.169950929530343
Energy: 1.3418492865406388
Energy: 1.1279477790458894
Energy: 1.1420640334625232
Energy: 1.1279477790450578
Energy: 1.1898541463519876
Energy: 1.1984691272500674
Energy: 1.3419883222239857
Energy: 1.1984691272500674
Energy: 1.2057691816657743
Energy: 1.183707260632331
Energy: 1.185314607170021
Energy: 1.183707260632331
Energy: 1.1824118538662234
Energy: 1.3563582473302789
Energy: 1.1852926149763447
Energy: 1.356358247330556
Energy: 1.1857996908138422
Energy: 1.1280836166703836
Energy: 1.1850580011031027
Energy: 1.1280836166701067
Energy: 1.183524843788007
Energy: 1.1956170570634603
Energy: 1.3444893825472997
Energy: 1.1956170570640148
Energy: 1.3431655159848874
Energy: 1.1839030526598056
Energy: 1.1225540597396204
Energy: 1.1839030526595284
Energy: 1.1827329805096178
Energy: 1.1847228253612487
Energy: 1.1213558114014655
Energy: 1.1847228253612487
Energy: 1.26300002501026
Energy: 1.1279915279807304
Energy: 1.3443988171161674
Energy: 1.1279915279807304
Energy: 1.262841738343357
Energy: 1.1289284420492318
Energy: 1.3443724128177228
Energy: 1.1289284420492318
Energy: 1.3429632027360106
Energy: 1.1840715076704493
Energy: 1.123038197884837
Energy: 1.1840715076707267
Energy: 1.341588000299783
Energy: 1.184988577149305
Energy: 1.1212390237649181
Energy: 1.1849885771495823
Energy: 1.1849344298965923
Energy: 1.1838914920726384
Energy: 1.2570685358898697
Energy: 1.1838914920731622

minimum gb energy = 1.1212390237649181 eV
minimum distance =  2.28424426568929 Angstroms
sigma value = 13


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

Energy: 1.1938774211451335
Energy: 1.1038283651386536
Energy: 1.818936089655691
Energy: 1.1038283651386536
Energy: 1.188889080047248
Energy: 1.1015878076892713
Energy: 1.13518622521055
Energy: 1.1015878076892713
Energy: 1.2331309286224919
Energy: 1.0862315182458007
Energy: 1.1837137714034491
Energy: 1.0862315182458007
Energy: 1.170080489148272
Energy: 1.105856871145026
Energy: 1.1346974516735486
Energy: 1.105856871145026
Energy: 1.1132057268537063
Energy: 1.1150476593403162
Energy: 1.153890709644182
Energy: 1.1150476593403162
Energy: 1.2385082014547941
Energy: 1.1158760680597681
Energy: 1.1735876894086408
Energy: 1.1158760680597681
Energy: 1.1378611174478002
Energy: 1.0863268815402545
Energy: 1.1468601204273194
Energy: 1.0863268815402545
Energy: 1.1409377818240678
Energy: 1.1309335222824393
Energy: 1.1364007885632512
Energy: 1.1309335222824393
Energy: 1.1473231230246554
Energy: 1.1149220853255697
Energy: 1.1047025655845197
Energy: 1.1149220853255697
Energy: 1.3086926910192525
Energy: 1.1156062642710398
Energy: 1.1942201239205301
Energy: 1.1156062642699553
Energy: 1.1585187796389809
Energy: 1.086261474129781
Energy: 1.2270458183588253
Energy: 1.0862614741309171
Energy: 1.1585463671167033
Energy: 1.0871264881911609
Energy: 1.1365016504379357
Energy: 1.0871264881911609
Energy: 1.2234251684377482
Energy: 1.0993497999623634
Energy: 1.169549382550381
Energy: 1.0993497999623634
Energy: 1.2160242286001384
Energy: 1.1014449769667667
Energy: 1.2997138693056463
Energy: 1.1014449769667667
Energy: 1.1657948733828272
Energy: 1.086328887510627
Energy: 1.2255345703010463
Energy: 1.086328887511763
Energy: 1.1585662182397303
Energy: 1.0873080832736395
Energy: 1.2333133911711358
Energy: 1.0873080832736395
Energy: 1.223689603545663
Energy: 1.1148882243997489
Energy: 1.1047949890697006
Energy: 1.1148882244008853
Energy: 1.1534927583069008
Energy: 1.11535951063217
Energy: 1.1946490642903942
Energy: 1.11535951063217
Energy: 1.1374656012449598
Energy: 1.0870520262659908
Energy: 1.1419826755088016
Energy: 1.0870520262659908
Energy: 1.141997576506259
Energy: 1.0870248304455818
Energy: 1.1374655116321484
Energy: 1.0870248304455818
Energy: 1.1946615309540576
Energy: 1.1151485370566876
Energy: 1.1535196018357863
Energy: 1.1151485370566876
Energy: 1.1047827629871345
Energy: 1.1148693152896119
Energy: 1.2236896035445268
Energy: 1.1148693152896119
Energy: 1.2333133911699996
Energy: 1.086828175263031
Energy: 1.1585310002388955
Energy: 1.086828175261895
Energy: 1.2255345703033187
Energy: 1.0863197613244893
Energy: 1.1585989771437937
Energy: 1.0863197613244893
Energy: 1.2996828462390302
Energy: 1.1014527159843965
Energy: 1.2159824075216845
Energy: 1.1014527159832606
Energy: 1.169708811212246
Energy: 1.099348671041539
Energy: 1.2234251684320676
Energy: 1.099348671041539
Energy: 1.1365224819845363
Energy: 1.087155017998644
Energy: 1.158587264113412
Energy: 1.087155017998644
Energy: 1.2270458183588253
Energy: 1.0862511584304475
Energy: 1.1652209722996687
Energy: 1.0862511584293113
Energy: 1.1941728706787351
Energy: 1.1156088461527112
Energy: 1.3089993042451988
Energy: 1.1156088461527112
Energy: 1.104724689989991
Energy: 1.1149240010620411
Energy: 1.1474085725792158
Energy: 1.1149240010620411
Energy: 1.1364148945176238
Energy: 1.1309363100558978
Energy: 1.1409374919270934
Energy: 1.1309363100547616
Energy: 1.1468505997119418
Energy: 1.0863185497941867
Energy: 1.1378989864795352
Energy: 1.0863185497941867
Energy: 1.173628721714862
Energy: 1.1156413953301056
Energy: 1.2384200264146856
Energy: 1.1156413953312416
Energy: 1.1538969171955742
Energy: 1.1150322835219046
Energy: 1.1132039899044741
Energy: 1.1150322835219046
Energy: 1.1351767598025233
Energy: 1.1058611544519934
Energy: 1.1703021708809962
Energy: 1.1058611544531296

minimum gb energy = 1.0862315182458007 eV
minimum distance =  2.30453525393369 Angstroms
sigma value = 37


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

Energy: 1.1888532873979183
Energy: 1.0322299300067805
Energy: 1.7477707241192852
Energy: 1.0322299300071802
Energy: 1.2172429442547354
Energy: 1.0518255185248973
Energy: 1.1087342477970723
Energy: 1.05182551852432
Energy: 1.22530696053408
Energy: 1.0157987556995156
Energy: 1.1878672098717151
Energy: 1.0157987556997154
Energy: 1.147724597205099
Energy: 1.0313849517482274
Energy: 1.1091860605397026
Energy: 1.0313849517480276
Energy: 1.1032037604236604
Energy: 1.013789128982908
Energy: 1.2144650212623218
Energy: 1.013789128982908
Energy: 1.1908049947191837
Energy: 1.0563109333831044
Energy: 1.1289802175002168
Energy: 1.0563109333835041
Energy: 1.1058428474503388
Energy: 1.0158084073820695
Energy: 1.154997616141286
Energy: 1.0158084073818918
Energy: 1.1051904540563064
Energy: 1.1564668936042721
Energy: 1.1244000061373196
Energy: 1.1564668936040723
Energy: 1.112495083867006
Energy: 1.0138187404643775
Energy: 1.1243547047366411
Energy: 1.0138187404643775
Energy: 1.190109382867637
Energy: 1.056233559925372
Energy: 1.1249959771905047
Energy: 1.0562335599251724
Energy: 1.0752100205386015
Energy: 1.0157088736571451
Energy: 1.2128254268469307
Energy: 1.0157088736571451
Energy: 1.0851697142992673
Energy: 1.0579944844135547
Energy: 1.170321624787425
Energy: 1.0579944844135547
Energy: 1.2253422121974524
Energy: 1.0140018150079808
Energy: 1.1348652174304734
Energy: 1.0140018150085581
Energy: 1.0702353749690625
Energy: 1.0162725164208548
Energy: 1.1366201614093556
Energy: 1.0162725164210544
Energy: 1.1391808037209987
Energy: 1.031304810131663
Energy: 1.2128133540491994
Energy: 1.0313048101320628
Energy: 1.0600875730813801
Energy: 1.0386604879806056
Energy: 1.1669159726106104
Energy: 1.038660487979806
Energy: 1.2255781886583732
Energy: 1.0139938158651032
Energy: 1.134941119908958
Energy: 1.0139938158658806
Energy: 1.1473216557916397
Energy: 1.0161351902294207
Energy: 1.136246092909548
Energy: 1.0161351902296207
Energy: 1.0753680090096616
Energy: 1.0157033831148228
Energy: 1.213081521423992
Energy: 1.015703383114623
Energy: 1.0754212959946732
Energy: 1.0575157681006084
Energy: 1.214548698661801
Energy: 1.0575157681002085

minimum gb energy = 1.013789128982908 eV
minimum distance =  2.29661634471952 Angstroms
sigma value = 25


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

Energy: 1.1193610435488925
Energy: 0.944155834956122
Energy: 1.499729920041037
Energy: 0.944155834956122
Energy: 0.9951668046685672
Energy: 0.9724966569244625
Energy: 1.0348265589548975
Energy: 0.9724966569244625
Energy: 1.091138394498613
Energy: 0.9282608652262289
Energy: 1.0922534117099099
Energy: 0.9282608652247025
Energy: 1.0408654070718526
Energy: 0.9800854224034304
Energy: 1.0350734164550341
Energy: 0.9800854224049569
Energy: 1.045263140507687
Energy: 0.9213547344906392
Energy: 1.079948658803993
Energy: 0.921354734489113
Energy: 1.0411202314055423
Energy: 0.940685986781421
Energy: 1.0681240153709566
Energy: 0.9406859867829473
Energy: 1.020363619287625
Energy: 0.9211894457980712
Energy: 1.0455279524249206
Energy: 0.9211894457980712
Energy: 1.045129794643832
Energy: 0.9443187142292281
Energy: 1.082246274447685
Energy: 0.9443187142277017
Energy: 1.0153655560885575
Energy: 0.921585473451729
Energy: 1.0369452811855282
Energy: 0.921585473451729
Energy: 1.06336722043153
Energy: 0.9962658271337297
Energy: 1.0465425268482873
Energy: 0.9962658271337297
Energy: 1.007464474471289
Energy: 0.9210212289471458
Energy: 1.0446736217896255
Energy: 0.9210212289471458
Energy: 1.0421945853758174
Energy: 0.9442953479160778
Energy: 1.0677832818881807
Energy: 0.9442953479160778
Energy: 1.0231853948700795
Energy: 0.9216711759717664
Energy: 1.018726503927308
Energy: 0.9216711759717664
Energy: 1.1159546384174182
Energy: 0.9437679231752936
Energy: 1.0090888550636854
Energy: 0.9437679231752936
Energy: 0.9933543761635578
Energy: 0.9211515154494466
Energy: 1.0825040240699852
Energy: 0.9211515154494466
Energy: 1.0169600339792628
Energy: 0.9212554631925983
Energy: 1.0336308154073355
Energy: 0.9212554631941247
Energy: 1.0877431717141066
Energy: 0.928364359217882
Energy: 1.0087668173089157
Energy: 0.9283643592163902
Energy: 1.0000216980355605
Energy: 0.9540002396730549
Energy: 1.0092475038060469
Energy: 0.9540002396715286
Energy: 1.0294146436707254
Energy: 0.942503980667529
Energy: 1.0840085719503938
Energy: 0.942503980667529
Energy: 1.0386069505907651
Energy: 0.9433267229432052
Energy: 1.0334063578034678
Energy: 0.9433267229432052
Energy: 1.0873746516577953
Energy: 0.9285417780187294
Energy: 1.0089167999609743
Energy: 0.9285417780187294
Energy: 1.0577441396428573
Energy: 0.9382531450792867
Energy: 1.0094379156832674
Energy: 0.9382531450777604
Energy: 0.9931952711326182
Energy: 0.9213161255134216
Energy: 1.0794538991629423
Energy: 0.9213161255134216
Energy: 1.0405835900260139
Energy: 0.9208904696610887
Energy: 1.0586127460264414
Energy: 0.9208904696610887
Energy: 1.0242723927354063
Energy: 0.9216424815642316
Energy: 1.0190746076453914
Energy: 0.9216424815657579
Energy: 1.092555648073444
Energy: 0.9434430552110245
Energy: 1.0093509049551577
Energy: 0.9434430552110245

minimum gb energy = 0.9208904696610887 eV
minimum distance =  2.3060761530251 Angstroms
sigma value = 41


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

Energy: 1.0408934547842341
Energy: 0.8764700661679847
Energy: 1.327402218999549
Energy: 0.8764700661692361
Energy: 0.9299158996647732
Energy: 0.8984744655801171
Energy: 0.9794843213370744
Energy: 0.8984744655788659
Energy: 0.9907964573807415
Energy: 0.857792499252137
Energy: 0.998295630247007
Energy: 0.8577924992508855
Energy: 0.9809036698648901
Energy: 0.9242745492938275
Energy: 0.9793221844900044
Energy: 0.9242745492938275
Energy: 0.9894965264072612
Energy: 0.8479068310609136
Energy: 0.9822544455522536
Energy: 0.8479068310609136
Energy: 0.9808613562810033
Energy: 0.8656893263801901
Energy: 0.9635452792693939
Energy: 0.8656893263789388
Energy: 0.9947128905197855
Energy: 0.8444752885499794
Energy: 0.9853427626832635
Energy: 0.8444752885512308
Energy: 0.9806708691346574
Energy: 0.8701375242973164
Energy: 0.9635434827069913
Energy: 0.8701375242973164
Energy: 0.9876509142148387
Energy: 0.844526977012651
Energy: 0.9595482775293259
Energy: 0.844526977012651
Energy: 0.9805893707904995
Energy: 0.901383450808513
Energy: 0.9777122664275357
Energy: 0.9013834508072617
Energy: 0.9745177476448886
Energy: 0.8446692896460596
Energy: 0.9627647655903872
Energy: 0.8446692896460596
Energy: 0.9687772765358724
Energy: 0.8881864874484293
Energy: 0.977702803519464
Energy: 0.8881864874496805
Energy: 0.9813534878849215
Energy: 0.8446243744685042
Energy: 0.9558500014452368
Energy: 0.8446243744685042
Energy: 0.9804733260364339
Energy: 0.858179563758766
Energy: 0.9670589891744373
Energy: 0.858179563758766
Energy: 0.9307132166228028
Energy: 0.8445569850537549
Energy: 0.9631438932384359
Energy: 0.8445569850537549
Energy: 0.9306427659047674
Energy: 0.8580568760249391
Energy: 0.9947503368797105
Energy: 0.8580568760249391
Energy: 0.9986067510584958
Energy: 0.844353678411595
Energy: 0.9232731892546329
Energy: 0.8443536784103438
Energy: 0.9772667850181599
Energy: 0.8442560840005834
Energy: 0.9413463443092036
Energy: 0.8442560840005834
Energy: 0.9308719187951452
Energy: 0.8471830389408042
Energy: 0.9838775475126393
Energy: 0.8471830389408042
Energy: 0.9342628854583689
Energy: 0.913453613167293
Energy: 0.9364493345897746
Energy: 0.9134536131697956
Energy: 0.9881256448938884
Energy: 0.8563461756639786
Energy: 0.9414548390105996
Energy: 0.8563461756639786
Energy: 0.9315898017327772
Energy: 0.8764096604055693
Energy: 0.9756381892563298
Energy: 0.876409660404318
Energy: 0.9661762569891101
Energy: 0.8754119343551824
Energy: 0.9863951850116547
Energy: 0.8754119343551824
Energy: 0.9909149068496479
Energy: 0.878889992727853
Energy: 0.962591803553059
Energy: 0.8788899927291043
Energy: 0.9946054833500475
Energy: 0.8563398288879995
Energy: 0.9408274325839299
Energy: 0.8563398288879995
Energy: 0.9773992012012788
Energy: 0.8575882860336185
Energy: 0.9755204961086992
Energy: 0.8575882860336185
Energy: 0.9313331399505088
Energy: 0.8473361033229783
Energy: 0.9863722472224743
Energy: 0.8473361033242296
Energy: 0.9654008375802714
Energy: 0.8553475592485664
Energy: 0.9947572611729238
Energy: 0.8553475592510691
Energy: 0.9935746233079301
Energy: 0.8442635855584334
Energy: 0.9232946999403523
Energy: 0.8442635855596848
Energy: 0.9808104947629992
Energy: 0.8439541986244281
Energy: 0.9668480644589188
Energy: 0.8439541986244281
Energy: 0.931245325212865
Energy: 0.8444058200586712
Energy: 0.95843638637479
Energy: 0.8444058200586712
Energy: 0.9307886986296369
Energy: 0.8577056221198823
Energy: 1.0022748101664065
Energy: 0.8577056221198823

minimum gb energy = 0.8439541986244281 eV
minimum distance =  2.31357205656645 Angstroms
sigma value = 15


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

Energy: 0.9688454948885885
Energy: 0.8144487667282836
Energy: 1.1993167774264948
Energy: 0.8144487667282836
Energy: 0.9229238158192384
Energy: 0.8677263301912392
Energy: 0.914300997451117
Energy: 0.8677263301901791
Energy: 0.9136303824215067
Energy: 0.8045108421694092
Energy: 0.9430717398280425
Energy: 0.8045108421672892
Energy: 0.9107115588526667
Energy: 0.8168717731249681
Energy: 0.9143512305598368
Energy: 0.8168717731249681
Energy: 0.9301528632165633
Energy: 0.7928872399060012
Energy: 0.9073183470584933
Energy: 0.7928872399049411
Energy: 0.9104939105981402
Energy: 0.8520893467368237
Energy: 0.9121461395703707
Energy: 0.852089346737884
Energy: 0.9174489957158541
Energy: 0.7828269788682449
Energy: 0.9399446557190497
Energy: 0.7828269788671849
Energy: 0.9030075090748604
Energy: 0.8526538265523202
Energy: 0.9122349549042504
Energy: 0.8526538265533802
Energy: 0.9321830927738936
Energy: 0.7816912280270143
Energy: 0.8945017703492677
Energy: 0.7816912280270143
Energy: 0.9028614639632921
Energy: 0.7984007927285574
Energy: 0.9144665037953695
Energy: 0.7984007927285574
Energy: 0.906209971531846
Energy: 0.7817934994880935
Energy: 0.9111135720805813
Energy: 0.7817934994880935
Energy: 0.9125597532903718
Energy: 0.8179026048582728
Energy: 0.9140053766075711
Energy: 0.8179026048593329
Energy: 0.9131518370967221
Energy: 0.7818836462653932
Energy: 0.8940182269987629
Energy: 0.7818836462664533
Energy: 0.9127582651229211
Energy: 0.8096944673342966
Energy: 0.9072658435839124
Energy: 0.8096944673353565
Energy: 0.9078652844229842
Energy: 0.7819374851016743
Energy: 0.8975976365833431
Energy: 0.7819374851016743
Energy: 0.9121525376249013
Energy: 0.8096900271396849
Energy: 0.9140530585610692
Energy: 0.8096900271396849
Energy: 0.9099827700020204
Energy: 0.7818083905116824
Energy: 0.9058368389324938
Energy: 0.7818083905127424
Energy: 0.9197067227003417
Energy: 0.7905616857601725
Energy: 0.8767149691242218
Energy: 0.7905616857612325
Energy: 0.8713932271194867
Energy: 0.7816532398483466
Energy: 0.8981874015819344
Energy: 0.7816532398504666
Energy: 0.9054504081679541
Energy: 0.7981035468323788
Energy: 0.9079941268649948
Energy: 0.7981035468313188
Energy: 0.9214303968980888
Energy: 0.7832370151144712
Energy: 0.877286593097796
Energy: 0.7832370151155312
Energy: 0.9218357062594814
Energy: 0.8451214126072704
Energy: 0.9124638942655618
Energy: 0.8451214126083305
Energy: 0.879723171212167
Energy: 0.7927696075288889
Energy: 0.9086038997956071
Energy: 0.7927696075288889
Energy: 0.9136380837972135
Energy: 0.8576174778695459
Energy: 0.9202637970879574
Energy: 0.8576174778706058
Energy: 0.9116336807416968
Energy: 0.8012494943333093
Energy: 0.8946149805796876
Energy: 0.8012494943322492
Energy: 0.8786894784200713
Energy: 0.8201978501152516
Energy: 0.9222172160159507
Energy: 0.8201978501163116
Energy: 0.9052090094294597
Energy: 0.8141178660795341
Energy: 0.9103915275474893
Energy: 0.8141178660795341
Energy: 0.9229091457559648
Energy: 0.8256608137480795
Energy: 0.920416483770778
Energy: 0.8256608137491396
Energy: 0.9183367705606332
Energy: 0.8015371826773204
Energy: 0.8944134478774164
Energy: 0.8015371826773204
Energy: 0.9217952605615886
Energy: 0.8036101426397652
Energy: 0.9221657561077944
Energy: 0.8036101426418852
Energy: 0.8796426997232067
Energy: 0.7928546146041404
Energy: 0.9100141410603432
Energy: 0.7928546146052005
Energy: 0.9135820654942607
Energy: 0.8033020729544821
Energy: 0.9083815131407376
Energy: 0.8033020729544821
Energy: 0.9171328394078967
Energy: 0.7831809563069819
Energy: 0.877211565744791
Energy: 0.7831809563069819
Energy: 0.9202541962488164
Energy: 0.7882782762377861
Energy: 0.9044464527035021
Energy: 0.7882782762367261
Energy: 0.8711219463222472
Energy: 0.7818868569363859
Energy: 0.9091855452102028
Energy: 0.7818868569363859
Energy: 0.9062556887857456
Energy: 0.7976030232645067
Energy: 0.9145779314751578
Energy: 0.7976030232634468
Energy: 0.902426120205379
Energy: 0.7820657965166969
Energy: 0.9061972640628165
Energy: 0.7820657965166969

minimum gb energy = 0.7816532398483466 eV
minimum distance =  2.31690078615702 Angstroms
sigma value = 85


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

Energy: 0.9513557684634608
Energy: 0.7585921703957562
Energy: 1.0754566904984328
Energy: 0.7585921703948368
Energy: 0.829663165402572
Energy: 0.7607695513283826
Energy: 0.8352623583137916
Energy: 0.7607695513274632
Energy: 0.8283790843815599
Energy: 0.7569391259276242
Energy: 0.9150101583738912
Energy: 0.756939125926705
Energy: 0.822261715964871
Energy: 0.7583529612402543
Energy: 0.8352886721527361
Energy: 0.7583529612402543
Energy: 0.8976914411245241
Energy: 0.7242225323886053
Energy: 0.8284626156296517
Energy: 0.7242225323886053
Energy: 0.822292672424803
Energy: 0.6706843844788134
Energy: 0.8297358094494879
Energy: 0.6706843844778939
Energy: 0.8416981629383186
Energy: 0.7256099013097578
Energy: 0.8770105723996096
Energy: 0.7256099013088383
Energy: 0.8324382749709672
Energy: 0.7691946224619381
Energy: 0.8295334537944896
Energy: 0.7691946224628575
Energy: 0.8816872610258314
Energy: 0.7078414604750786
Energy: 0.8572833392940192
Energy: 0.7078414604759978
Energy: 0.8325688466749299
Energy: 0.7817949823829737
Energy: 0.8361507508883377
Energy: 0.7817949823829737
Energy: 0.8175775060068396
Energy: 0.7078438847005888
Energy: 0.8687427719061573
Energy: 0.7078438846996695
Energy: 0.8525374814365201
Energy: 0.7214604978626612
Energy: 0.8356267020683895
Energy: 0.7214604978626612
Energy: 0.8411039472354211
Energy: 0.7080954466755566
Energy: 0.8346990292130528
Energy: 0.7080954466746373
Energy: 0.8522936225205636
Energy: 0.7528080917254463
Energy: 0.8509993396356825
Energy: 0.7528080917254463
Energy: 0.8140388996361889
Energy: 0.7080431160074648
Energy: 0.8451509393838528
Energy: 0.7080431160065453
Energy: 0.8463047364244529
Energy: 0.7520177923120177
Energy: 0.850871415729992
Energy: 0.7520177923129371
Energy: 0.8178193298848578
Energy: 0.7078968692990579
Energy: 0.8343612183993071
Energy: 0.7078968692999772
Energy: 0.8520488569305187
Energy: 0.751745325910516
Energy: 0.850794885933225
Energy: 0.7517453259114353
Energy: 0.829849425664503
Energy: 0.7079223893057148
Energy: 0.8400061407416292
Energy: 0.7079223893057148
Energy: 0.817568379473689
Energy: 0.7208720658309969
Energy: 0.8497416649980982
Energy: 0.7208720658309969
Energy: 0.816628661413659
Energy: 0.7079064817170532
Energy: 0.8072181280210721
Energy: 0.7079064817170532
Energy: 0.8329175620575141
Energy: 0.7226687825232271
Energy: 0.8363412952434277
Energy: 0.7226687825232271
Energy: 0.8124045983355132
Energy: 0.7073653243272089
Energy: 0.8547902943046553
Energy: 0.7073653243272089
Energy: 0.8326189889061537
Energy: 0.7685430830953025
Energy: 0.8251552889761885
Energy: 0.7685430830953025
Energy: 0.844531320822363
Energy: 0.7248271390629604
Energy: 0.8121856016839709
Energy: 0.7248271390629604
Energy: 0.8223630508060723
Energy: 0.7611823162604805
Energy: 0.829634629970119
Energy: 0.7611823162604805
Energy: 0.8308771206876521
Energy: 0.7240774296298634
Energy: 0.8291581535075604
Energy: 0.7240774296298634
Energy: 0.8416318510655119
Energy: 0.7643367713454042
Energy: 0.8160489942536633
Energy: 0.7643367713454042
Energy: 0.8267811018272753
Energy: 0.7568113570547945
Energy: 0.8296826525543645
Energy: 0.7568113570547945
Energy: 0.8125395813186875
Energy: 0.760488637102392
Energy: 0.8351676023499822
Energy: 0.7604886371014727
Energy: 0.8643190290486916
Energy: 0.7585652182085724
Energy: 0.8306719095001401
Energy: 0.7585652182085724
Energy: 0.8626091222466452
Energy: 0.7263125699644474
Energy: 0.815849212910172
Energy: 0.7263125699635281
Energy: 0.8267548533797848
Energy: 0.7568432315831642
Energy: 0.8296967819446701
Energy: 0.7568432315831642
Energy: 0.8222561976300719
Energy: 0.7074713124788732
Energy: 0.8353106058409091
Energy: 0.7074713124797928
Energy: 0.830885964717006
Energy: 0.7241081120506306
Energy: 0.8305232229463905
Energy: 0.7241081120506306
Energy: 0.8415882146412695
Energy: 0.7058514024964718
Energy: 0.8252589035874752
Energy: 0.7058514024964718
Energy: 0.8417629529662904
Energy: 0.7247358665981922
Energy: 0.8111649337092881
Energy: 0.7247358665991116
Energy: 0.8331339008866496
Energy: 0.7071931244120906
Energy: 0.8297059197876496
Energy: 0.7071931244111713
Energy: 0.8124827766476865
Energy: 0.7075095002109546
Energy: 0.8546016118030808
Energy: 0.7075095002118739
Energy: 0.8351891225179693
Energy: 0.7070533729148833
Energy: 0.8499025709490879
Energy: 0.7070533729158027
Energy: 0.8148755313886973
Energy: 0.7073802188217444
Energy: 0.8071762871205987
Energy: 0.7073802188217444
Energy: 0.8525201146053626
Energy: 0.7226531747077551
Energy: 0.8359777366744687
Energy: 0.7226531747077551
Energy: 0.8296906155305919
Energy: 0.7065816024779384
Energy: 0.8369653793146318
Energy: 0.7065816024770191

minimum gb energy = 0.6706843844778939 eV
minimum distance =  2.32514000511865 Angstroms
sigma value = 113


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

Energy: 0.014952163300246346
Energy: 0.015171208983123092
Energy: 1.3319305946915592
Energy: 0.015171208983123092
Energy: 0.01560777711066261
Energy: 0.6811047977212025
Energy: 0.01560777711066261
Energy: 0.681104797722616
Energy: 1.3319305946915592
Energy: 0.015171208983123092
Energy: 0.014952163300246346
Energy: 0.015171208982455584
Energy: 0.015607777111330122
Energy: 0.6811047977219091
Energy: 0.01560777711066261
Energy: 0.6811047977219091
Energy: 0.014952163300246346
Energy: 0.015171208982455584
Energy: 1.3319305946915592
Energy: 0.015171208982455584
Energy: 0.01560777711066261
Energy: 0.681104797722616
Energy: 0.015607777111330122
Energy: 0.681104797722616

minimum gb energy = 0.014952163300246346 eV
minimum distance =  2.45802840853051 Angstroms
sigma value = 1