Model name: model_name=EAM_Dynamo_Marinica_2007_Fe__MO_466808877130_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=2.855279721319676
cohesive_energy=4.12272209665705
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0124362433208418e-19, 1.88137193424084e-19, 2.67981665979474e-19, 3.2596924489383594e-19, 3.7394482202233197e-19, 4.1669089461745196e-19, 4.537380249254339e-19, 4.85052567236964e-19, 5.11683947247312e-19, 5.352615785932559e-19, 5.567611868449019e-19, 5.76067415284602e-19, 5.92816569816438e-19, 6.0685644366018e-19, 6.18235102114848e-19, 6.2750850047244e-19, 6.35195743962372e-19, 6.416877636833399e-19, 6.472697470761959e-19, 6.520394269156139e-19, 6.558317790082919e-19, 6.585090161637059e-19, 6.60015062199666e-19, 6.6048129560016e-19, 6.60015062199666e-19, 6.585795119356019e-19, 6.561169664491439e-19, 6.52571349558102e-19, 6.47740787006592e-19, 6.4105009738300795e-19, 6.317542685525399e-19, 6.1896889901322e-19, 6.020467094049119e-19, 5.80465390144932e-19, 5.53582468403046e-19, 5.2064331898464e-19, 4.806978511457519e-19, 4.3140688700074194e-19, 3.6729739116786598e-19, 2.8068532451046e-19, 1.6113090408138e-19, -6.3007839179337595e-21, -2.51794875446172e-19, -6.3942068374623e-19, -1.1690345897046359e-18, -1.88587405058238e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01274308000205767
Energy: 0.012969547395279215
Energy: 1.8917992363305411
Energy: 1.054084572534119
Energy: 0.012969547395279215
Energy: 0.21568955089880198
Energy: 1.0536415622986504
Energy: 0.21568955089880198
Energy: 1.891799236106506
Energy: 1.053641562351713
Energy: 1.5793565829802596
Energy: 1.053641562297673
Energy: 1.0540845724545251
Energy: 0.21568955089880198
Energy: 1.0536415622966955
Energy: 0.21568955089880198

minimum gb energy = 0.01274308000205767 eV
minimum distance =  2.43033284812674 Angstroms
sigma value = 1


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

Energy: 1.9713282704388366
Energy: 1.0025057922076028
Energy: 1.3799192365172164
Energy: 0.9834753847555938
Energy: 1.9294379167608042
Energy: 0.8732538151284138
Energy: 0.8734894487537609
Energy: 0.8732538151284138
Energy: 1.9209560093501803
Energy: 0.8739682351791168
Energy: 0.8744986777937723
Energy: 0.8739682351791168
Energy: 1.9484930700483354
Energy: 0.8726947554695049
Energy: 0.8723921772254035
Energy: 0.8726947554719435
Energy: 1.6157335593886761
Energy: 0.8724517903857097
Energy: 1.350754342471488
Energy: 0.8724517903893677
Energy: 1.9450095586257135
Energy: 0.8722446752559523
Energy: 1.2105181074064009
Energy: 0.8722446752352238
Energy: 1.8238188570214235
Energy: 0.8730098119403121
Energy: 1.3132780780008817
Energy: 0.873009807772043
Energy: 1.6244823233147814
Energy: 0.8723760016956399
Energy: 1.2343929972974328
Energy: 0.8723760016956399
Energy: 1.5374360168031806
Energy: 0.8726959858701495
Energy: 1.5717466243798925
Energy: 0.872696032710483
Energy: 1.6286212190969924
Energy: 0.9435310330005496
Energy: 1.626544877837447
Energy: 0.9435310329968915
Energy: 1.6255993863342169
Energy: 0.9434737787741382
Energy: 1.5250678835876628
Energy: 0.9434737774127596
Energy: 1.2340691156708956
Energy: 0.8723371381443119
Energy: 1.6394805335551903
Energy: 0.8723371381394346
Energy: 1.2790176591193578
Energy: 0.8723960707322435
Energy: 1.635575554008811
Energy: 0.8723960707261468
Energy: 1.212662812462983
Energy: 0.8735801339287881
Energy: 1.9323476486619489
Energy: 0.8735801339287881
Energy: 1.2175127696664945
Energy: 0.8754650194484657
Energy: 1.7126260241918416
Energy: 0.8754650184344289
Energy: 0.8726408035426954
Energy: 0.8732529079314356
Energy: 1.9680228053343265
Energy: 0.8732529079338742
Energy: 0.8733313129751032
Energy: 0.873243613426228
Energy: 1.9204199544667062
Energy: 0.8732436134225701
Energy: 0.9268472494025899
Energy: 0.8797116901464576
Energy: 1.9157242248474435
Energy: 0.8797116901452382
Energy: 0.8722765958087146
Energy: 0.872261991127815
Energy: 1.8185842420393066
Energy: 0.8722619911302536
Energy: 0.990681456180511
Energy: 0.8733745343589001
Energy: 1.9268787685829794
Energy: 0.8733745351243049
Energy: 1.0059945067705716
Energy: 0.872290075551716
Energy: 1.9192397147468436
Energy: 0.8722900755541545
Energy: 1.0152239022038991
Energy: 0.8721964349021089
Energy: 1.8328536661812576
Energy: 0.8721964350337407
Energy: 1.0365247100723594
Energy: 0.8724204520480373
Energy: 1.6403253412291825
Energy: 0.8724204520492566
Energy: 1.4402307698515682
Energy: 0.8737708715187311
Energy: 1.8437950342860412
Energy: 0.8737708715211696
Energy: 1.4323757466382452
Energy: 0.873471064885681
Energy: 1.8245909201825243
Energy: 0.8734710648881197
Energy: 1.4394325529655796
Energy: 0.8729595094439005
Energy: 1.4280903834819436
Energy: 0.8729595094256104
Energy: 1.4566980208232163
Energy: 0.8732173162173199
Energy: 1.4429990284785008
Energy: 0.873217315520142
Energy: 1.8247439908077416
Energy: 0.873640125161198
Energy: 1.4339507660391058
Energy: 0.873640125164856
Energy: 1.7365975026828158
Energy: 0.8721864065283003
Energy: 1.4414291765371552
Energy: 0.8721864065270809
Energy: 1.7277305396638414
Energy: 0.8724612645776968
Energy: 1.030234846871944
Energy: 0.8724612645740388
Energy: 1.8167672933283798
Energy: 0.8725060744754674
Energy: 1.02831808790554
Energy: 0.8725083306547412
Energy: 1.949675612884188
Energy: 0.8734891340182093
Energy: 1.0216716995800104
Energy: 0.8734891340169899
Energy: 1.9589606094902023
Energy: 0.8724950004384675
Energy: 1.03541521653042
Energy: 0.8724950004384675

minimum gb energy = 0.8721864065270809 eV
minimum distance =  2.29693977684874 Angstroms
sigma value = 1


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

Energy: 2.57665431914794
Energy: 1.1023192707081002
Energy: 0.9582435220631956
Energy: 1.0448758071144657
Energy: 1.8476992624435533
Energy: 0.9152708811387027
Energy: 0.9151884351212036
Energy: 0.9152708811387027
Energy: 1.8629827984987588
Energy: 0.9155454547429922
Energy: 0.9147500984654531
Energy: 0.9155454547429922
Energy: 1.9019083410354782
Energy: 0.9149921000701414
Energy: 0.9155177161008576
Energy: 0.914992100072922
Energy: 1.6225935509255605
Energy: 0.9152899276059655
Energy: 1.188034255988838
Energy: 0.9152899276004363
Energy: 1.9425822660304406
Energy: 0.9160624277458871
Energy: 1.1769739970768966
Energy: 0.9160624277444969
Energy: 1.8612546068773017
Energy: 0.9157321060366566
Energy: 1.1847332497718155
Energy: 0.9157321057420507
Energy: 1.6521396975682987
Energy: 1.0176182455873133
Energy: 1.2006517326381396
Energy: 1.0176182456012155
Energy: 1.6383466675316976
Energy: 1.0133050711093712
Energy: 1.4973104811633755
Energy: 1.0133050714178797
Energy: 1.6513831255895848
Energy: 1.0048026635853047
Energy: 1.6378706477055511
Energy: 1.0048026635866947
Energy: 1.6506566306351669
Energy: 1.0043221851347033
Energy: 1.4133128871281082
Energy: 1.0043221851360935
Energy: 1.1860525656682182
Energy: 1.0055063684901318
Energy: 1.4139109250959079
Energy: 1.005506368316414
Energy: 1.1868852640594012
Energy: 0.9150215850275536
Energy: 1.6547713970115794
Energy: 0.9150215850303342
Energy: 1.1614033519076692
Energy: 0.91534635472969
Energy: 1.8712847786730564
Energy: 0.9153463547269094
Energy: 1.165909066989709
Energy: 0.9185715842594987
Energy: 1.8445485288921621
Energy: 0.9185715842720111
Energy: 0.9153235539145982
Energy: 0.9154313132624146
Energy: 1.8826560331204059
Energy: 0.9154313132179266
Energy: 0.9151858696638706
Energy: 0.9156382690576264
Energy: 1.8696597564605124
Energy: 0.9156382690576264
Energy: 0.9159297098276608
Energy: 0.9154981470745551
Energy: 1.8997109595509503
Energy: 0.9154981470745551
Energy: 0.9153524772199311
Energy: 0.9155643546821803
Energy: 1.6243358070470657
Energy: 0.9155643547183266
Energy: 1.1798526352528989
Energy: 0.9166141253412733
Energy: 1.9070630338405477
Energy: 0.9166141253426636
Energy: 1.1921414590391566
Energy: 0.9156183920672122
Energy: 1.860508315203034
Energy: 0.9156183920644317
Energy: 1.2044562998432091
Energy: 1.00471331670724
Energy: 1.6647251310734021
Energy: 1.00471331670724
Energy: 1.1786316047990162
Energy: 1.0044495214338598
Energy: 1.6430898175752842
Energy: 1.0044495214324698
Energy: 1.6571921069740858
Energy: 1.0053115668478418
Energy: 1.664918886184395
Energy: 1.0053115668464518
Energy: 1.4099884517597563
Energy: 1.0042882560855895
Energy: 1.6519481384705357
Energy: 1.0042882560814186
Energy: 1.4085853015532979
Energy: 1.0050983293414257
Energy: 1.1802074241512965
Energy: 1.005098329348377
Energy: 1.6459949112721992
Energy: 0.915219910289122
Energy: 1.1848801143338852
Energy: 0.9152198324031782
Energy: 1.89184687775163
Energy: 0.9158000899060718
Energy: 1.163082648179944
Energy: 0.9158000899060718
Energy: 1.8660844340994127
Energy: 0.9154177885194201
Energy: 1.1608885915852292
Energy: 0.915417788549974

minimum gb energy = 0.9147500984654531 eV
minimum distance =  2.30604387393766 Angstroms
sigma value = 25


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

Energy: 1.9446537192873978
Energy: 1.1165501384461696
Energy: 1.0432956097035762
Energy: 1.0923502860712389
Energy: 1.743910606769762
Energy: 1.0515162406412881
Energy: 0.9942669520910979
Energy: 1.0515162406396719
Energy: 1.7682005251121602
Energy: 0.9957579594369358
Energy: 0.9950466982414914
Energy: 0.9957579594353196
Energy: 1.767237716956306
Energy: 1.0399869712361054
Energy: 0.9938595148139938
Energy: 1.0399869712215604
Energy: 1.6609218987470695
Energy: 0.9958977413902945
Energy: 1.3342567816427522
Energy: 0.9958977414290449
Energy: 1.8075688500376241
Energy: 0.9952979371268235
Energy: 1.3882182572271693
Energy: 0.9952979371268235
Energy: 1.7721327944091487
Energy: 1.0916638444174533
Energy: 1.4441142909403961
Energy: 1.0916638444545876
Energy: 1.4274474560110693
Energy: 1.0909307020037486
Energy: 1.43445016026627
Energy: 1.0909307020069805
Energy: 1.434184350039524
Energy: 1.0908238088430349
Energy: 1.4633891187058983
Energy: 1.0908256380718526
Energy: 1.4690183857370422
Energy: 0.9959938807044101
Energy: 1.7717988092685153
Energy: 0.9959938806139437
Energy: 1.4018529799132566
Energy: 0.996940082434958
Energy: 1.7853080459235573
Energy: 0.9969400823783936
Energy: 0.9956735054947424
Energy: 0.9942719719446832
Energy: 1.7774017233147021
Energy: 0.9942719719592285
Energy: 0.9933519406693487
Energy: 0.9947425618105141
Energy: 1.7675211063557672
Energy: 0.9947425618088981
Energy: 0.9952743486400647
Energy: 0.9943853424266671
Energy: 1.7674812608103212
Energy: 0.9943853424282831
Energy: 0.9960809701094375
Energy: 0.9943967450111532
Energy: 1.6545934756322147
Energy: 0.9943967450095371
Energy: 1.1304126476723864
Energy: 0.9975054136363354
Energy: 1.7964375397816992
Energy: 0.997505413629871
Energy: 1.1652348078575938
Energy: 0.9944733701046137
Energy: 1.7718698087743692
Energy: 0.9944733702289821
Energy: 1.1787485105171354
Energy: 0.9943635284628377
Energy: 1.664154506035837
Energy: 0.9943635284644539
Energy: 1.228803796733715
Energy: 0.9988642593957862
Energy: 1.6346186407952197
Energy: 0.9988642591825306
Energy: 1.6574703510876259
Energy: 1.0994446470032981
Energy: 1.6836338479523976
Energy: 1.0994446470065307
Energy: 1.53080659033482
Energy: 0.9942109441872307
Energy: 1.6725870708704482
Energy: 0.9942109442421423
Energy: 1.5365294684983402
Energy: 0.9947747538391369
Energy: 1.1789577557169453
Energy: 0.9947747538375209
Energy: 1.6623926281452166
Energy: 0.9943503112835805
Energy: 1.166555603003591
Energy: 0.994350318888936
Energy: 1.7730296597828776
Energy: 0.996569700563197
Energy: 1.267813403863427
Energy: 0.996569700561581
Energy: 1.8161182362441988
Energy: 0.9943014867375082
Energy: 1.1219780731433036
Energy: 0.9943014867391241

minimum gb energy = 0.9933519406693487 eV
minimum distance =  2.29046177531285 Angstroms
sigma value = 9


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

Energy: 2.494528282120472
Energy: 1.2303264082968057
Energy: 1.1240159869711024
Energy: 1.1268769874204982
Energy: 1.639972472617874
Energy: 1.1262658956100113
Energy: 1.1257097007453267
Energy: 1.1262658955360056
Energy: 1.6547164028011354
Energy: 1.1249787543519127
Energy: 1.1245070375947848
Energy: 1.124978754355199
Energy: 1.786298003149635
Energy: 1.1253171879227253
Energy: 1.1253289456081566
Energy: 1.1253171879215642
Energy: 1.551629776062457
Energy: 1.1284941754890183
Energy: 1.24069102057482
Energy: 1.1284941630264718
Energy: 1.6627216456872267
Energy: 1.1312904228022709
Energy: 1.2881116064172482
Energy: 1.1312904227641285
Energy: 1.6535678147645732
Energy: 1.1542355249674239
Energy: 1.3070829019564199
Energy: 1.1542355249675993
Energy: 1.4910414433976793
Energy: 1.1538178343680336
Energy: 1.28763038992244
Energy: 1.1538178343688006
Energy: 1.4885045287620693
Energy: 1.1550038444747348
Energy: 1.5482498629470183
Energy: 1.155003844281833
Energy: 1.4938033131174497
Energy: 1.0457919142053294
Energy: 1.62297046357244
Energy: 1.0457919141731682
Energy: 1.4947907603893595
Energy: 1.045572964617559
Energy: 1.6244081397853054
Energy: 1.045572964618523
Energy: 1.2277653751679718
Energy: 1.0455728615216728
Energy: 1.6250815579237692
Energy: 1.0455728615236008
Energy: 1.2013359064090943
Energy: 1.0458506264997947
Energy: 1.623202153160694
Energy: 1.0458506265001892
Energy: 1.2758421550001096
Energy: 1.1230278887107437
Energy: 1.5480264257815928
Energy: 1.12302788871208
Energy: 1.2008324953408582
Energy: 1.0459523508805588
Energy: 1.5525586739589552
Energy: 1.0459523508811501
Energy: 1.3643501846184147
Energy: 1.264812218557476
Energy: 1.5480846324637485
Energy: 1.264807936833023
Energy: 1.2671766839588334
Energy: 1.1238505761640842
Energy: 1.5475761443422271
Energy: 1.1238505761544446
Energy: 1.2655232616623475
Energy: 1.260854970518723
Energy: 1.4513212991898783
Energy: 1.2608549713413995
Energy: 1.6145282551420912
Energy: 1.261023103802812
Energy: 1.635057677296436
Energy: 1.2610231038016506
Energy: 1.8333600458089603
Energy: 1.126416344044579
Energy: 1.4533493084484022
Energy: 1.1264163440440094
Energy: 1.6399321828627371
Energy: 1.1258594320671393
Energy: 1.404689750793868
Energy: 1.125859432064839

minimum gb energy = 1.0455728615216728 eV
minimum distance =  2.27901967802834 Angstroms
sigma value = 25


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

Energy: 1.7978384702684576
Energy: 1.2062732798713944
Energy: 1.7589393021155448
Energy: 1.1662763188414813
Energy: 1.4385123899022119
Energy: 1.21827694277454
Energy: 1.3525473658621407
Energy: 1.218276942784538
Energy: 1.5371663906909871
Energy: 1.160310598721694
Energy: 1.1624335305960773
Energy: 1.1603105988215618
Energy: 1.5735935810915034
Energy: 1.2011718337055648
Energy: 1.194060620248593
Energy: 1.2011718363597264
Energy: 1.4761675539369474
Energy: 1.231444796786774
Energy: 1.667814071842741
Energy: 1.2314447967791609
Energy: 1.5409796347033458
Energy: 1.2641622890937743
Energy: 1.45795996942452
Energy: 1.264162289092826
Energy: 1.453281498849562
Energy: 1.1615482161244943
Energy: 1.634197659348542
Energy: 1.1615478992432275
Energy: 1.1961940418918093
Energy: 1.1943555747077246
Energy: 1.6272547932365597
Energy: 1.1943555746093197
Energy: 1.1930317789343459
Energy: 1.16012253576662
Energy: 1.5355513111474355
Energy: 1.1601225350988396
Energy: 1.210784640850738
Energy: 1.161278624863289
Energy: 1.5562831646834825
Energy: 1.1612785991476813
Energy: 1.1929331630689617
Energy: 1.1604932267364114
Energy: 1.5550206249506118
Energy: 1.1604932264242098
Energy: 1.5590038527262369
Energy: 1.217111709648071
Energy: 1.5523602063291364
Energy: 1.2171117096504556
Energy: 1.4158168613850428
Energy: 1.1605209219042096
Energy: 1.5593302771541748
Energy: 1.1605209090745157
Energy: 1.406941052853069
Energy: 1.170896412611151
Energy: 1.4127414902380193
Energy: 1.1708964120997016
Energy: 1.4314618680449716
Energy: 1.161387420641685
Energy: 1.4810174912738774
Energy: 1.1613874206464536
Energy: 1.5571928527573748
Energy: 1.1638105508265166
Energy: 1.429495046512548
Energy: 1.1638103884592212
Energy: 1.4385436428877683
Energy: 1.160553118461167
Energy: 1.3173886149810339
Energy: 1.160553118386578

minimum gb energy = 1.1601225350988396 eV
minimum distance =  2.28919876163112 Angstroms
sigma value = 17


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

Energy: 1.7291607091556371
Energy: 1.1936384526152133
Energy: 1.190136943141108
Energy: 1.1901333075330196
Energy: 1.4340653942471053
Energy: 1.1930516933014463
Energy: 1.4702999171897917
Energy: 1.1942331192506057
Energy: 1.4866413238045606
Energy: 1.1935372536862354
Energy: 1.227988513897122
Energy: 1.193537212609967
Energy: 1.4672059890626217
Energy: 1.2259549950783
Energy: 1.200079644960762
Energy: 1.2259549950796504
Energy: 1.4571735498441885
Energy: 1.2676909447984668
Energy: 1.4826027970641038
Energy: 1.2676909448011675
Energy: 1.485546206124667
Energy: 1.4477111166506373
Energy: 1.472841017473439
Energy: 1.447711116649287
Energy: 1.4151666894955903
Energy: 1.179396017167014
Energy: 1.4308873588761468
Energy: 1.179396017171065
Energy: 1.3228480990921563
Energy: 1.3232787783825022
Energy: 1.5086632041846966
Energy: 1.3232787783825022
Energy: 1.2144547581350218
Energy: 1.1789823285174186
Energy: 1.4689891507191402
Energy: 1.178982328516068
Energy: 1.2320955385213148
Energy: 1.1787464184454595
Energy: 1.4942822632220032
Energy: 1.1787464184441092
Energy: 1.2147692595936146
Energy: 1.1789114953610396
Energy: 1.451847025533072
Energy: 1.1789114953623898
Energy: 1.4767655566292492
Energy: 1.2332057348910535
Energy: 1.519027738330804
Energy: 1.2332057348734993
Energy: 1.4335648757112414
Energy: 1.2327482412945974
Energy: 1.4759893535737503
Energy: 1.2327482412986484
Energy: 1.4335130427223357
Energy: 1.1786743691765917
Energy: 1.1922344386875892
Energy: 1.1786743691738912
Energy: 1.4749358604101492
Energy: 1.1791123463213193
Energy: 1.2314521329333397
Energy: 1.1791123463172684
Energy: 1.4686879512489024
Energy: 1.1791178459528544
Energy: 1.2449054829256463
Energy: 1.179117845955555
Energy: 1.4776821593858613
Energy: 1.1783155618603245
Energy: 1.2649719285025707
Energy: 1.178315561857624
Energy: 1.477613012979715
Energy: 1.1784040058436847
Energy: 1.4144313629563434
Energy: 1.1784040058517868
Energy: 1.4689229179707806
Energy: 1.2731320320581092
Energy: 1.4863460885474162
Energy: 1.273132032056759
Energy: 1.234899237615183
Energy: 1.2593898042337772
Energy: 1.5519562452138205
Energy: 1.2593898042526512
Energy: 1.205617762910166
Energy: 1.2177029221257505
Energy: 1.4848967900846317
Energy: 1.21770292212305
Energy: 1.2741604948759264
Energy: 1.2003409181740832
Energy: 1.5192576504762119
Energy: 1.2003409181349542
Energy: 1.470748451482248
Energy: 1.1912076972513164
Energy: 1.4785073907197672
Energy: 1.1912076023384972
Energy: 1.2654645539164782
Energy: 1.1956629990143413
Energy: 1.476724334174074
Energy: 1.1956629990197427
Energy: 1.412924999714383
Energy: 1.1925854115045922
Energy: 1.4968466139106327
Energy: 1.1925854107690017
Energy: 1.3220223402240845
Energy: 1.1934432067672216
Energy: 1.5071847857693
Energy: 1.1934432132513382
Energy: 1.4012429362882637
Energy: 1.284977838954195
Energy: 1.3281209945597177
Energy: 1.2849778389568955
Energy: 1.4947724052954756
Energy: 1.195910355099678
Energy: 1.3221025028161804
Energy: 1.1959091597865197
Energy: 1.473343354182462
Energy: 1.201274617993929
Energy: 1.5246291803566177
Energy: 1.2012746178711107
Energy: 1.5058717563617579
Energy: 1.1926533127400134
Energy: 1.3739668503830527
Energy: 1.1926533099352925

minimum gb energy = 1.178315561857624 eV
minimum distance =  2.28033605127557 Angstroms
sigma value = 53


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

Energy: 1.0785032138932027
Energy: 1.080368610491905
Energy: 1.1389654468739268
Energy: 1.178162670874774
Energy: 1.0819007273043049
Energy: 1.2708434589399014
Energy: 1.3182182192362872
Energy: 1.270843458952336
Energy: 1.4186188014553816
Energy: 1.1448806694843108
Energy: 1.1276444381139472
Energy: 1.1448807591014736
Energy: 1.4186521976570738
Energy: 1.1449124188736224
Energy: 1.3220727281900981
Energy: 1.14491251059911
Energy: 1.309844154533561
Energy: 1.1615257418881328
Energy: 1.3173732174598094
Energy: 1.1615257616201284
Energy: 1.4186021907182713
Energy: 1.1583990898048229
Energy: 1.1378282748655069
Energy: 1.1583990909700503
Energy: 1.1394147104260177
Energy: 1.2120565779323043
Energy: 1.0804097278621025
Energy: 1.2120565779319863
Energy: 1.1352888141456414
Energy: 1.1918135109690515
Energy: 1.0810507981121213
Energy: 1.1918134983819824
Energy: 1.320569338502021
Energy: 1.1675546568388377
Energy: 1.1421669975007027
Energy: 1.1675546592131318
Energy: 1.1368317570834283
Energy: 1.1572710226136722
Energy: 1.4200087258564362
Energy: 1.1572710380836944
Energy: 1.318031517387119
Energy: 1.1563301494319567
Energy: 1.3109115230312813
Energy: 1.156330149489114
Energy: 1.319605537500239
Energy: 1.138069864123681
Energy: 1.4190871070273579
Energy: 1.138069026335014
Energy: 1.0809396295789606
Energy: 1.1338017170450445
Energy: 1.1400653253861766
Energy: 1.1338017153664957

minimum gb energy = 1.0785032138932027 eV
minimum distance =  2.28821729114698 Angstroms
sigma value = 9


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

Energy: 2.14072820967836
Energy: 1.3907113082765756
Energy: 1.914102712732715
Energy: 1.3676436767648539
Energy: 1.519175823543817
Energy: 1.3900301490737166
Energy: 1.5623521138486234
Energy: 1.3900301490737166
Energy: 1.303769852344594
Energy: 1.355191798231849
Energy: 1.2967343214843698
Energy: 1.355191798229548
Energy: 1.3028461165922558
Energy: 1.3512941385107715
Energy: 1.2898367318715482
Energy: 1.3512941385130728
Energy: 1.2852028966227282
Energy: 1.307662542772001
Energy: 1.3146261288472314
Energy: 1.3076625403223718
Energy: 1.4669983752830875
Energy: 1.3809569842001115
Energy: 1.5267812054434864
Energy: 1.3809569842254241
Energy: 1.5626969757985352
Energy: 1.4107840981810968
Energy: 1.9723299206734966
Energy: 1.4107841006203712
Energy: 1.6750668165595781
Energy: 1.393504041457832
Energy: 1.939082049738377
Energy: 1.393504058717993
Energy: 1.5103845450066213
Energy: 1.2309121425215908
Energy: 1.408719030959488
Energy: 1.2309121425066334
Energy: 1.3511402022787138
Energy: 1.4457273456374933
Energy: 1.2317835545509337
Energy: 1.4457273456363426
Energy: 1.5847639193876475
Energy: 1.229743231180761
Energy: 1.2289185363053043
Energy: 1.2297432311796102
Energy: 1.5453999424254163
Energy: 1.471497752248516
Energy: 1.354690750637685
Energy: 1.4714977522462145
Energy: 1.94765787107322
Energy: 1.4297835781603738
Energy: 1.4286688529067824
Energy: 1.4297835781603738
Energy: 1.953438755111702
Energy: 1.3771641202166827
Energy: 1.6756324971193473
Energy: 1.3771641202442966
Energy: 1.5624200355597602
Energy: 1.4225815105618551
Energy: 1.6949186563664889
Energy: 1.422581510560705
Energy: 1.5292127448095467
Energy: 1.4914239532486688
Energy: 1.6525418473161808
Energy: 1.4914239532486688
Energy: 1.2704231529129186
Energy: 1.2714092948349183
Energy: 1.7487853495086179
Energy: 1.2714092948131097
Energy: 1.3448526634129716
Energy: 1.412703403209937
Energy: 1.7283216418267031
Energy: 1.4127034033525563
Energy: 1.3344486567415526
Energy: 1.395640478404108
Energy: 1.9310385652320061
Energy: 1.3956404802281377
Energy: 1.6252675993747525
Energy: 1.4826249858296707
Energy: 1.7691476378352482
Energy: 1.4826249858308214
Energy: 1.639932423273548
Energy: 1.3770469868263946
Energy: 1.7037836720975172
Energy: 1.3770469768231273
Energy: 1.8561736592513876
Energy: 1.3338456018699034
Energy: 1.633985042983668
Energy: 1.333845601871054
Energy: 1.8561317091877978
Energy: 1.333993485285973
Energy: 1.3326568858706114
Energy: 1.3339934852894249
Energy: 1.6780659332573207
Energy: 1.435041470950971
Energy: 1.3344614154515573
Energy: 1.4350414709544228
Energy: 1.702866555564192
Energy: 1.4209884291874901
Energy: 1.2702398079806962
Energy: 1.4209884291840384
Energy: 1.5043632544705876
Energy: 1.3001578333811772
Energy: 1.2762319286401678
Energy: 1.306024072733851
Energy: 1.7501932251367622
Energy: 1.2714016007394888
Energy: 1.549387275356117
Energy: 1.2714016007417899
Energy: 1.7107137877695393
Energy: 1.427850450147464
Energy: 2.0176306192777664
Energy: 1.4278504871980076
Energy: 1.4286553520790506
Energy: 1.3876060195368458
Energy: 1.8758184943648715
Energy: 1.387606015287349
Energy: 1.4289736241959208
Energy: 1.4577156866787566
Energy: 1.7851400032078677
Energy: 1.45771568668566
Energy: 1.2310261607502873
Energy: 1.2601328350673193
Energy: 1.5914920951330591
Energy: 1.260132835062717
Energy: 1.231641309111097
Energy: 1.2311111431234816
Energy: 1.5015317440840266
Energy: 1.231111143116578
Energy: 1.3362289182576803
Energy: 1.3655858306719624
Energy: 1.5000064696833444
Energy: 1.3655858306098314
Energy: 1.3271382326336534
Energy: 1.2622477391092266
Energy: 1.6437856137460443
Energy: 1.2622477382731239
Energy: 1.8787009573318878
Energy: 1.5416198239159193
Energy: 1.700327988621563
Energy: 1.541619824017118

minimum gb energy = 1.2289185363053043 eV
minimum distance =  2.2382343859292 Angstroms
sigma value = 73


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

Energy: 1.9734245600753133
Energy: 1.4362476587991628
Energy: 1.5677967551387972
Energy: 1.4407526305926233
Energy: 1.5672098048235297
Energy: 1.406019235877307
Energy: 1.5655069472201313
Energy: 1.4060192358566874
Energy: 1.3311317334044461
Energy: 1.324377987884839
Energy: 1.328642109448766
Energy: 1.3243779879125739
Energy: 1.330140467535246
Energy: 1.3622481820382286
Energy: 1.3208837057059766
Energy: 1.3622481820427923
Energy: 1.321109352811648
Energy: 1.340942598042952
Energy: 1.332092950933858
Energy: 1.3409425980462504
Energy: 1.4443026839262856
Energy: 1.2918425961106192
Energy: 1.4734670954368234
Energy: 1.2918425960785074
Energy: 1.4435364265280273
Energy: 1.5661685067678233
Energy: 1.983569448340119
Energy: 1.5661685067681759
Energy: 1.7028223358734211
Energy: 1.4277135538200925
Energy: 1.9983655001865184
Energy: 1.4277135538215653
Energy: 1.6702335873499536
Energy: 1.2494107729020865
Energy: 1.4735556467901996
Energy: 1.2494107729044512
Energy: 1.4250126743901899
Energy: 1.4237151250844131
Energy: 1.2509680224171917
Energy: 1.423715125074373
Energy: 1.6805227782721126
Energy: 1.247870926951962
Energy: 1.2461721255838822
Energy: 1.247870926951402
Energy: 1.8047381962794773
Energy: 1.3483701188719999
Energy: 1.3531551679328564
Energy: 1.3483701187501074
Energy: 1.6436205303995568
Energy: 1.3464086441653358
Energy: 1.346876403946723
Energy: 1.3464086441656884
Energy: 1.656212070717544
Energy: 1.3471407390169894
Energy: 1.666965222247146
Energy: 1.3471407390179022
Energy: 1.7538839884479074
Energy: 1.4925745648031268
Energy: 1.7541161894862094
Energy: 1.4925745648025874
Energy: 1.6605838562310464
Energy: 1.3465552418380908
Energy: 1.885647225774795
Energy: 1.3465552418406423
Energy: 1.346096092044998
Energy: 1.406866210749138
Energy: 1.8663528067759425
Energy: 1.4068662107546142
Energy: 1.3409239370138641
Energy: 1.4143940051293602
Energy: 1.596807345054782
Energy: 1.4143940051399606
Energy: 1.247811064321387
Energy: 1.2479832513553353
Energy: 1.6587918097731882
Energy: 1.2479832513549827
Energy: 1.2503861608650157
Energy: 1.4213392637985034
Energy: 1.6642695188984047
Energy: 1.4213392640287634
Energy: 1.5420477083055297
Energy: 1.248674913469334
Energy: 1.6517920215277682
Energy: 1.2486749134684212
Energy: 1.8740657019317235
Energy: 1.5585291297485329
Energy: 1.7360231241383581
Energy: 1.5585291365372351

minimum gb energy = 1.2461721255838822 eV
minimum distance =  2.23689588468145 Angstroms
sigma value = 7


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

Energy: 2.837616208892101
Energy: 1.4789202917623774
Energy: 1.8599209834571253
Energy: 1.588915102218813
Energy: 1.527112102847941
Energy: 1.3671505185927186
Energy: 1.5347927499269514
Energy: 1.3671505185914279
Energy: 1.407165294013226
Energy: 1.2994604416274458
Energy: 1.375696757889256
Energy: 1.2994604416171194
Energy: 1.3807365045094668
Energy: 1.3005126249215686
Energy: 1.3697510823145713
Energy: 1.3005126249628451
Energy: 1.3723048921134102
Energy: 1.3016308152412148
Energy: 1.402747047166037
Energy: 1.3016308152786191
Energy: 1.444389335324952
Energy: 1.3772595832477155
Energy: 1.5319589121579105
Energy: 1.3772595832490062
Energy: 1.5604226992628767
Energy: 1.5624744781651099
Energy: 1.9586515879953588
Energy: 1.562474478163819
Energy: 1.6530561395454584
Energy: 1.4711042677074488
Energy: 1.9279723795108545
Energy: 1.4734554842283838
Energy: 1.5512849832106428
Energy: 1.3218383599249428
Energy: 1.4863492685312674
Energy: 1.3218383599249428
Energy: 1.6630645778704625
Energy: 1.5064607206910574
Energy: 1.3194656083676297
Energy: 1.5064607206691136
Energy: 1.5512032576431745
Energy: 1.3950354648125902
Energy: 1.3160185105078481
Energy: 1.395035464806136
Energy: 1.7499625003667019
Energy: 1.3626469783319248
Energy: 1.382044775908368
Energy: 1.362646984986968
Energy: 1.88124993078788
Energy: 1.4053798874318992
Energy: 1.3790530752943386
Energy: 1.4053798874202819
Energy: 1.8920750121548413
Energy: 1.4586966305067417
Energy: 1.6485128859776133
Energy: 1.4586966305080327
Energy: 1.7954010616887002
Energy: 1.4012530530967577
Energy: 1.8386775914338795
Energy: 1.4012530531006304
Energy: 1.609995213952752
Energy: 1.3385730973342584
Energy: 2.0836586918629636
Energy: 1.3385730973329677
Energy: 1.448171053621231
Energy: 1.3354167541248756
Energy: 2.019279676399564
Energy: 1.3354167541261661
Energy: 1.4555878087122618
Energy: 1.384354672795963
Energy: 1.569656068787651
Energy: 1.384354672794672
Energy: 1.4512096662150413
Energy: 1.386825226249694
Energy: 1.4666666744489711
Energy: 1.3868252262664744
Energy: 1.4834816540359794
Energy: 1.46965290369186
Energy: 1.451625731678567
Energy: 1.4696529036931507
Energy: 1.4480920386951386
Energy: 1.2467055134196563
Energy: 1.47760532548978
Energy: 1.246705513420947
Energy: 1.9422179448580457
Energy: 1.5974061777533966
Energy: 1.5962750674113404
Energy: 1.5974061777559783
Energy: 1.960098859302226
Energy: 1.597830691000501
Energy: 1.7280963461198104
Energy: 1.5978306910030822
Energy: 1.4054496376560284
Energy: 1.2468572504935773
Energy: 1.645454485579321
Energy: 1.2468572511154845
Energy: 1.4425019172905844
Energy: 1.464301401641632
Energy: 1.6664094471443027
Energy: 1.464301401761619
Energy: 1.2818986252418074
Energy: 1.3519474968469811
Energy: 1.6470238200391358
Energy: 1.3519474968469811
Energy: 1.2456330997060758
Energy: 1.2484021812364436
Energy: 1.6651159699368856
Energy: 1.2484021810003425
Energy: 1.2952358657068275
Energy: 1.3011668918543993
Energy: 1.7979492860296606
Energy: 1.3011668918466546
Energy: 1.4676926130794805
Energy: 1.476866797730204
Energy: 1.831643419498347
Energy: 1.4768667977327854
Energy: 1.4753407182683014
Energy: 1.3401906446937732
Energy: 1.7333713083613782
Energy: 1.3401906447841008
Energy: 1.9158328427047542
Energy: 1.409888910357291
Energy: 1.7171647202817646
Energy: 1.409888905875006

minimum gb energy = 1.2456330997060758 eV
minimum distance =  2.27941677366108 Angstroms
sigma value = 29


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

Energy: 1.667021424353566
Energy: 1.404129554629997
Energy: 1.4788746274524442
Energy: 1.474242959494821
Energy: 1.5503478064485736
Energy: 1.226046036348299
Energy: 1.4468009613647579
Energy: 1.2260460363487486
Energy: 1.4114790122908547
Energy: 1.2256177507515593
Energy: 1.3462932874405449
Energy: 1.2256177507515593
Energy: 1.3401188440258576
Energy: 1.2261352193858284
Energy: 1.1024493341428458
Energy: 1.2261352193858284
Energy: 1.3397753791047498
Energy: 1.2228423113674025
Energy: 1.358485210245511
Energy: 1.222842311366528
Energy: 1.3572297677788678
Energy: 1.2234012806500871
Energy: 1.4328048758141425
Energy: 1.2234012806496375
Energy: 1.4494396435535615
Energy: 1.4482066061592662
Energy: 1.323276356541864
Energy: 1.4482066061574927
Energy: 1.4471758734824378
Energy: 1.2278493441065808
Energy: 1.4408457506428698
Energy: 1.2278493441065808
Energy: 1.5506683469019509
Energy: 1.229452170084388
Energy: 1.4901057469102297
Energy: 1.229452170084388

minimum gb energy = 1.1024493341428458 eV
minimum distance =  2.35644172024707 Angstroms
sigma value = 5


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

Energy: 1.7456268078924628
Energy: 1.6794898979189774
Energy: 1.900258024357514
Energy: 1.7873645130441185
Energy: 1.279885278498174
Energy: 1.4143043300028866
Energy: 1.5752976146479183
Energy: 1.414304329868816
Energy: 1.2132204116011105
Energy: 1.2738834055567605
Energy: 1.6240595759500174
Energy: 1.2738834055006718
Energy: 1.2136054175820787
Energy: 1.2531359647897027
Energy: 1.5430508713406657
Energy: 1.253135964806773
Energy: 1.2139417609670922
Energy: 1.24999005069966
Energy: 1.6138174393996914
Energy: 1.2499900552055165
Energy: 1.2452428707244034
Energy: 1.3462358757534436
Energy: 1.4797226298612252
Energy: 1.3462358757510051
Energy: 1.2448143854438354
Energy: 1.3504737491559404
Energy: 1.4680005747233302
Energy: 1.3504737491559404
Energy: 1.2492760249492494
Energy: 1.3536210474646653
Energy: 1.4563923228902382
Energy: 1.3536210474610075
Energy: 1.270091642407792
Energy: 1.4125751269756772
Energy: 1.4102416787889327
Energy: 1.412575127264547
Energy: 1.6386553699891249
Energy: 1.5107071062342103
Energy: 1.5791582284695078
Energy: 1.5107071062317716
Energy: 1.2811063658971231
Energy: 1.3679329388951185
Energy: 1.5331138068668533
Energy: 1.367932938048074
Energy: 1.571263045977275
Energy: 1.3423602237435366
Energy: 1.7053333444845111
Energy: 1.3423602235814218
Energy: 1.4598181231064888
Energy: 1.4220764741483582
Energy: 1.7207066406699985
Energy: 1.4220764667162284
Energy: 1.367741411177439
Energy: 1.3570126838167698
Energy: 1.2933386158416726
Energy: 1.357012683817989
Energy: 1.4618496873279054
Energy: 1.348226440599254
Energy: 1.2635771384819665
Energy: 1.348226440595596
Energy: 1.459973155541403
Energy: 1.3438717861659328
Energy: 1.2463033335592983
Energy: 1.3438717861671519
Energy: 1.5393854898241273
Energy: 1.4482483152017278
Energy: 1.2528359789306123
Energy: 1.4482483152017278
Energy: 1.6199002592568372
Energy: 1.2507058282105832
Energy: 1.207755205967419
Energy: 1.2507058281996093
Energy: 1.6468332556924732
Energy: 1.2656288906629936
Energy: 1.2274382368599666
Energy: 1.2656290347917056
Energy: 1.5802152080577918
Energy: 1.2618352424707688
Energy: 1.2841057855914046
Energy: 1.2618311642411628
Energy: 1.6670016865907546
Energy: 1.444482272661522
Energy: 1.8179943944889725
Energy: 1.4444822726542061
Energy: 1.721726881466007
Energy: 1.5808909823529567
Energy: 1.8150787463828701
Energy: 1.5808909816838232
Energy: 1.6330770059122999
Energy: 1.2527421155966565
Energy: 1.2206287377717324
Energy: 1.2527422145815619
Energy: 1.7254104041843343
Energy: 1.2700086667914166
Energy: 1.3367774953066316
Energy: 1.2700086667828814
Energy: 1.7103327322911133
Energy: 1.2431701036791893
Energy: 1.2675516808471472
Energy: 1.2431701013123093
Energy: 1.3946935979930428
Energy: 1.4497445829509945
Energy: 1.3668613993748457
Energy: 1.4497445829509945
Energy: 1.3242974703713766
Energy: 1.3896657224644462
Energy: 1.3329751841387478
Energy: 1.3896657224644462
Energy: 1.3270348132038667
Energy: 1.3886178656300812
Energy: 1.328907809257996
Energy: 1.3886178656325197
Energy: 1.2402176104281228
Energy: 1.4459996545962495
Energy: 1.4538216006512177
Energy: 1.4459996545999074
Energy: 1.267888195443509
Energy: 1.269111661862326
Energy: 1.6247786445093695
Energy: 1.269111661861107
Energy: 1.326783005680659
Energy: 1.268839333629121
Energy: 1.6246860293788414
Energy: 1.268839333629121
Energy: 1.2167907112866165
Energy: 1.2495180259638867
Energy: 1.604397311648901
Energy: 1.2495180596925761
Energy: 1.9307745118105428
Energy: 1.65936156054208
Energy: 1.8037715007052928
Energy: 1.659361560745652

minimum gb energy = 1.207755205967419 eV
minimum distance =  2.2220225270134 Angstroms
sigma value = 1


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

Energy: 2.3823756015281514
Energy: 1.389877998477424
Energy: 1.5611895288764066
Energy: 1.5652557520413388
Energy: 1.2621241730977895
Energy: 1.3796988117326148
Energy: 1.419642899850106
Energy: 1.3796996693138692
Energy: 1.2628841658145675
Energy: 1.3238769273993525
Energy: 1.5137283981815193
Energy: 1.3238769272207216
Energy: 1.2563699886897477
Energy: 1.324094877087714
Energy: 1.3763477779106479
Energy: 1.324094877087714
Energy: 1.260704997355885
Energy: 1.3247468000724103
Energy: 1.432955282595361
Energy: 1.3247468001094622
Energy: 1.2740093923281832
Energy: 1.3029849687338702
Energy: 1.5134200494355774
Energy: 1.3029849687119917
Energy: 1.2739495077843372
Energy: 1.298376747271242
Energy: 1.5883811173782565
Energy: 1.2983767627006824
Energy: 1.3507753618542997
Energy: 1.2431117091345008
Energy: 1.57061326931848
Energy: 1.2431117087350905
Energy: 1.5042668948342333
Energy: 1.2810701903087032
Energy: 1.3875901759264813
Energy: 1.2810701903103892
Energy: 1.599555487797427
Energy: 1.6322160938431856
Energy: 1.640729061378065
Energy: 1.6322160938398138
Energy: 1.194451794482209
Energy: 1.2895524430874539
Energy: 1.2568128954478623
Energy: 1.2895524430857679
Energy: 1.192952962972165
Energy: 1.1477730771823196
Energy: 1.6974222979799194
Energy: 1.1477730771840056
Energy: 1.1879777078405964
Energy: 1.149908078290904
Energy: 1.7007211388320356
Energy: 1.1499080782925897
Energy: 1.1926024956085015
Energy: 1.1495031160086608
Energy: 1.2569496603577262
Energy: 1.1495031160086608
Energy: 1.3740265956574593
Energy: 1.4754610427367205
Energy: 1.4047902018509242
Energy: 1.4754610427367205
Energy: 1.3682874818191415
Energy: 1.3273749019216938
Energy: 1.379846223804039
Energy: 1.3273749019216938
Energy: 1.394592966518021
Energy: 1.361605090118719
Energy: 1.3318571770214878
Energy: 1.361605090118719
Energy: 1.5454936173062845
Energy: 1.3345588193449924
Energy: 1.297013896624001
Energy: 1.3345588194241922
Energy: 1.565732340757883
Energy: 1.3253449850660435
Energy: 1.3072637183730886
Energy: 1.3253449850795311
Energy: 1.4892786367447666
Energy: 1.379968863900975
Energy: 1.3063722998917706
Energy: 1.3799688780648627
Energy: 1.5093717657274595
Energy: 1.3240856564589523
Energy: 1.5938201011307132
Energy: 1.3240856564538943
Energy: 1.5255539058297196
Energy: 1.262162213653263
Energy: 1.6050395854382795
Energy: 1.2621622146373817
Energy: 1.2705031018420263
Energy: 1.306136987306665
Energy: 1.4427557257344699
Energy: 1.3061369873049788
Energy: 1.60616598546663
Energy: 1.4965828843223221
Energy: 1.5238784120794684
Energy: 1.4965828821922367

minimum gb energy = 1.1477730771823196 eV
minimum distance =  2.22737627708151 Angstroms
sigma value = 17


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

Energy: 1.7700360661301222
Energy: 1.6450409348962944
Energy: 1.8189947187604252
Energy: 1.746663878196101
Energy: 1.3051010677608834
Energy: 1.5292525681672817
Energy: 1.2925849744673985
Energy: 1.5292525681662394
Energy: 1.225959222174178
Energy: 1.2564845563036833
Energy: 1.5918378650764475
Energy: 1.2564845561995273
Energy: 1.1906287068857466
Energy: 1.2277857034306072
Energy: 1.6132020065399268
Energy: 1.2277857034306072
Energy: 1.1948858258581156
Energy: 1.32917266807461
Energy: 1.423886598082717
Energy: 1.3291726679402354
Energy: 1.2885525145120502
Energy: 1.3500424646682612
Energy: 1.300440456729176
Energy: 1.3500424646724294
Energy: 1.2892194309703866
Energy: 1.3488440545858378
Energy: 1.2999925099257663
Energy: 1.3488440545816696
Energy: 1.3371197141101656
Energy: 1.3581038837798503
Energy: 1.291273571753379
Energy: 1.3581038837788084
Energy: 1.6000940898904923
Energy: 1.2249620512989459
Energy: 1.1922659232984856
Energy: 1.224962050939586
Energy: 1.5461730590170213
Energy: 1.2459432584066472
Energy: 1.2059977856859763
Energy: 1.2459432562870554
Energy: 1.5300328107152112
Energy: 1.2345657582597787
Energy: 1.2624202783423546
Energy: 1.234565758165001
Energy: 1.305793054460869
Energy: 1.341532973132477
Energy: 1.7974353485247516
Energy: 1.341532973133519
Energy: 1.7260795214776916
Energy: 1.5103496643416432
Energy: 1.8100096793622693
Energy: 1.510349664336433
Energy: 1.243815901079604
Energy: 1.2325322871937798
Energy: 1.2794308476169458
Energy: 1.2325322874177225
Energy: 1.60090850054582
Energy: 1.2159207217986912
Energy: 1.320683520726232
Energy: 1.2159207318821692
Energy: 1.7491370554593013
Energy: 1.2317827589895616
Energy: 1.2701772158417235
Energy: 1.231782759080171
Energy: 1.246212672745778
Energy: 1.3481550266665792
Energy: 1.3251594470849792
Energy: 1.348155026664495
Energy: 1.246326159438418
Energy: 1.3583343006850561
Energy: 1.4023169873797185
Energy: 1.3583343006840138
Energy: 1.2437130396345393
Energy: 1.3403579951598146
Energy: 1.3860272605318957
Energy: 1.3403579951566884
Energy: 1.2744909888576583
Energy: 1.4630760271209906
Energy: 1.4691049565339693
Energy: 1.4630760271199486
Energy: 1.2127750524872571
Energy: 1.3146322389837821
Energy: 1.531204550018928
Energy: 1.314632238986908
Energy: 1.2174072175973494
Energy: 1.3092372688950458
Energy: 1.5325680288615027
Energy: 1.3092372688971299
Energy: 1.2772890913985349
Energy: 1.3261198111714938
Energy: 1.3096004811845063
Energy: 1.3261198111662835
Energy: 1.6810269435184733
Energy: 1.3642199502470664
Energy: 1.4581254121615868
Energy: 1.3642199655310987
Energy: 1.797107639153242
Energy: 1.3052111176826153
Energy: 1.359947613571855
Energy: 1.3052111176815733
Energy: 1.2574932750106156
Energy: 1.3810596079300819
Energy: 1.2918759649671185
Energy: 1.3810596078332202
Energy: 1.572222444302725
Energy: 1.4720363661434959
Energy: 1.7561174841484715
Energy: 1.4720363661247393
Energy: 1.3403648643118269
Energy: 1.388437409608008
Energy: 1.2962983575166103
Energy: 1.3884374096163443
Energy: 1.5211222644523257
Energy: 1.29809506386693
Energy: 1.259947979031357
Energy: 1.298095063877303
Energy: 1.4732209114327162
Energy: 1.3065882728077836
Energy: 1.2093006201284884
Energy: 1.3065882728088256
Energy: 1.5031595766963017
Energy: 1.2940019358607289
Energy: 1.2107709817634544
Energy: 1.2940019358607289
Energy: 1.3932279010917459
Energy: 1.3396611592641312
Energy: 1.2410150702407878
Energy: 1.3396611592662153
Energy: 1.3971981384073837
Energy: 1.3365855395555897
Energy: 1.2384996848922605
Energy: 1.3365855395555897
Energy: 1.3886984782001848
Energy: 1.346866002542138
Energy: 1.2736299945996463
Energy: 1.3468660025390118
Energy: 1.2310121976464312
Energy: 1.2494346890270436
Energy: 1.3193163863893143
Energy: 1.249434689012455
Energy: 1.325328082916314
Energy: 1.2970915189735035
Energy: 1.6968943517062591
Energy: 1.2970915219471841
Energy: 1.2544000513490583
Energy: 1.2400519768178522
Energy: 1.5806113094749434
Energy: 1.240051976675141
Energy: 1.243311229822304
Energy: 1.3443288560464837
Energy: 1.3864515001247135
Energy: 1.3443288560464837

minimum gb energy = 1.1906287068857466 eV
minimum distance =  2.2370546457293 Angstroms
sigma value = 89


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

Energy: 2.2120165679982122
Energy: 1.1446012127701901
Energy: 1.4201558832596657
Energy: 1.4238445139413949
Energy: 1.1683936251568383
Energy: 1.2325625615591358
Energy: 1.1785004004923978
Energy: 1.232562561551793
Energy: 1.166211173892949
Energy: 1.231939718009106
Energy: 1.3392858084552899
Energy: 1.2319397170874258
Energy: 1.1599724671715665
Energy: 1.2281276689915988
Energy: 1.346225438457566
Energy: 1.2281276689915988
Energy: 1.1652370291605023
Energy: 1.2789508522351762
Energy: 1.2983830807727397
Energy: 1.2789508522351762
Energy: 1.2639501506657045
Energy: 1.2772302601984564
Energy: 1.2628922697618115
Energy: 1.277230260198735
Energy: 1.2617441969964158
Energy: 1.2754051848256778
Energy: 1.269160880209121
Energy: 1.2754051848253989
Energy: 1.3013679824730258
Energy: 1.276452052801937
Energy: 1.2635107622961563
Energy: 1.2764520528016579
Energy: 1.3043377784768742
Energy: 1.2313483303353763
Energy: 1.1608759390274428
Energy: 1.2313483303367398
Energy: 1.5644004563441827
Energy: 1.2304482098938136
Energy: 1.1640492692075741
Energy: 1.2304482100235081
Energy: 1.1696435350936258
Energy: 1.2306762558295505
Energy: 1.1769461012590565
Energy: 1.230676255832277
Energy: 1.169652221694381
Energy: 1.2319566298486249
Energy: 1.520810467633248
Energy: 1.231956629846456
Energy: 1.1691940319691492
Energy: 1.1637846433223566
Energy: 1.5295362549573757
Energy: 1.1637846432065424
Energy: 1.1674785261284495
Energy: 1.259562730202237
Energy: 1.1700252550975963
Energy: 1.259562730202237
Energy: 1.7099348112822084
Energy: 1.2301944400008378
Energy: 1.165401880084362
Energy: 1.230194439996469

minimum gb energy = 1.1446012127701901 eV
minimum distance =  2.25821973501632 Angstroms
sigma value = 13


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

Energy: 1.4054950011389575
Energy: 1.1218290466343361
Energy: 1.4178888396907052
Energy: 1.3678727901803533
Energy: 1.156129353269577
Energy: 1.183355055001446
Energy: 1.1282781387577077
Energy: 1.1833550512879445
Energy: 1.1279132589056475
Energy: 1.1816518983420132
Energy: 1.3746496500698553
Energy: 1.1816518983420132
Energy: 1.1297959628873486
Energy: 1.1848954061665458
Energy: 1.3720049950939
Energy: 1.1848954061414043
Energy: 1.1307635557351867
Energy: 1.2395897612031364
Energy: 1.2590490456815335
Energy: 1.2395897612019937
Energy: 1.2974762405098152
Energy: 1.215356393027477
Energy: 1.1765823580489359
Energy: 1.2153563930297626
Energy: 1.3063982103815177
Energy: 1.2130112254072067
Energy: 1.1786552781914452
Energy: 1.2130112254072067
Energy: 1.3161764720714593
Energy: 1.1907262768503797
Energy: 1.1757220806326991
Energy: 1.1907262768447178
Energy: 1.291081350511226
Energy: 1.2080591786349952
Energy: 1.1673364347364799
Energy: 1.2080591786384236
Energy: 1.306448157832783
Energy: 1.207202671725389
Energy: 1.170272090615402
Energy: 1.207202671725389
Energy: 1.2564458358197506
Energy: 1.2135775573092544
Energy: 1.2347735239625692
Energy: 1.2135775573081116
Energy: 1.1287939247146894
Energy: 1.181749123396902
Energy: 1.2727468679536027
Energy: 1.1817491233660469
Energy: 1.1351454803295318
Energy: 1.1826462509931162
Energy: 1.5462966821274202
Energy: 1.1826462509771174
Energy: 1.1301136450306093
Energy: 1.2114012556100762
Energy: 1.1292282092382413
Energy: 1.2114012569556427
Energy: 1.5430967129152446
Energy: 1.188252125450717
Energy: 1.1271407924246228
Energy: 1.1882522017176955
Energy: 1.5358467193499141
Energy: 1.1877423995264451
Energy: 1.1324751700770248
Energy: 1.1877423988068079
Energy: 1.1724098568136576
Energy: 1.185338525827049
Energy: 1.154159349180143
Energy: 1.185338525827049
Energy: 1.133795717480891
Energy: 1.1844384439560411
Energy: 1.4019623152969347
Energy: 1.1844384439594695
Energy: 1.1321742739800542
Energy: 1.1882293131280117
Energy: 1.1308781426819108
Energy: 1.18822931315201
Energy: 1.2954716531547443
Energy: 1.1873242273667683
Energy: 1.1282135314154889
Energy: 1.187324227373625
Energy: 1.410298685567917
Energy: 1.1864792086139158
Energy: 1.1293545559016323
Energy: 1.1864792067177914
Energy: 1.2961558812660936
Energy: 1.320210400296724
Energy: 1.1290503281050348
Energy: 1.3202104003127233
Energy: 1.1795398552973924
Energy: 1.2093890355210624
Energy: 1.2935578928029883
Energy: 1.2093890355187769
Energy: 1.1738991580169988
Energy: 1.2081144029935
Energy: 1.2167022229201852
Energy: 1.2081144029935
Energy: 1.1673448657583445
Energy: 1.211105930110058
Energy: 1.2713118092298288
Energy: 1.2111059301077725
Energy: 1.1707180206283876
Energy: 1.209074219913811
Energy: 1.2683682668220175
Energy: 1.2090742199115254
Energy: 1.1734641945896902
Energy: 1.2074379415939196
Energy: 1.311556161958645
Energy: 1.2074379415950625
Energy: 1.2329366647642468
Energy: 1.2088012526300138
Energy: 1.2959585932935362
Energy: 1.2088012526300138
Energy: 1.2434329898481862
Energy: 1.1845244544502036
Energy: 1.1319180904888895
Energy: 1.1845244544502036
Energy: 1.3084775484912716
Energy: 1.2027243819049367
Energy: 1.1359969411523783
Energy: 1.2027243819026512
Energy: 1.286868369011848
Energy: 1.198984358734719
Energy: 1.1658056442223244
Energy: 1.1989843602916472
Energy: 1.1287167108458864
Energy: 1.1887193491109331
Energy: 1.5336265081920897
Energy: 1.1887193491040766
Energy: 1.1323687953204413
Energy: 1.1931043453504575
Energy: 1.5393175266625068
Energy: 1.1931043453755985
Energy: 1.1840202398311626
Energy: 1.187639754293076
Energy: 1.1316330350570338
Energy: 1.1876397543067894
Energy: 1.6843448921451192
Energy: 1.1913134683285769
Energy: 1.1404468787299473
Energy: 1.1913134683114353

minimum gb energy = 1.1218290466343361 eV
minimum distance =  2.25164645357096 Angstroms
sigma value = 37


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

Energy: 1.4027858633344872
Energy: 1.0736797032466188
Energy: 1.3492578197422058
Energy: 1.289741250452155
Energy: 1.0742802256422277
Energy: 1.1341504008179457
Energy: 1.0749597436212677
Energy: 1.1341504008871393
Energy: 1.0776130814110756
Energy: 1.131398877363172
Energy: 1.3674906414745598
Energy: 1.131398877364356
Energy: 1.0730568436931252
Energy: 1.1305967968091502
Energy: 1.3667217147035378
Energy: 1.1305967968095296
Energy: 1.0762931990679365
Energy: 1.1952436492689889
Energy: 1.167434975827936
Energy: 1.1952436492200598
Energy: 1.293515425889155
Energy: 1.1488972326484699
Energy: 1.0993101825384297
Energy: 1.1488972326492515
Energy: 1.215990231801032
Energy: 1.1440841967197022
Energy: 1.1041521785078492
Energy: 1.1440841967193223
Energy: 1.224057652245823
Energy: 1.12702727104401
Energy: 1.101690785816229
Energy: 1.1270272710447917
Energy: 1.1609035467131554
Energy: 1.1204261184776798
Energy: 1.168770752003581
Energy: 1.1204261184774786
Energy: 1.1642766876369728
Energy: 1.1188008655123027
Energy: 1.1623523481093019
Energy: 1.1188008655113195
Energy: 1.2402773019985451
Energy: 1.186010144825846
Energy: 1.2182106805564081
Energy: 1.1860101448281921
Energy: 1.0972937189455114
Energy: 1.143290484116535
Energy: 1.2945473572728272
Energy: 1.143290484116535
Energy: 1.0944712895576765
Energy: 1.1445686847584176
Energy: 1.292797827404308
Energy: 1.1445686847584176
Energy: 1.1571221856015999
Energy: 1.1468095443069144
Energy: 1.1546388220577448
Energy: 1.146809544018232
Energy: 1.2820481717956123
Energy: 1.1310110590749431
Energy: 1.0751638184861547
Energy: 1.1310110590763283
Energy: 1.1682759952733446
Energy: 1.133482100541723
Energy: 1.0790044546957671
Energy: 1.133482100543488
Energy: 1.076886037041483
Energy: 1.1967425040889084
Energy: 1.0765951468947021
Energy: 1.196742495447204
Energy: 1.0740441285948044
Energy: 1.0747523637521945
Energy: 1.2400560315679177
Energy: 1.0747523637861993
Energy: 1.0762548114386707
Energy: 1.1325139782325397
Energy: 1.2311574840032051
Energy: 1.1325139738744434
Energy: 1.0905700132881793
Energy: 1.13362416961396
Energy: 1.0757050044755292
Energy: 1.1336241695917517

minimum gb energy = 1.0730568436931252 eV
minimum distance =  2.25538952382278 Angstroms
sigma value = 25


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

Energy: 1.3687613904676375
Energy: 0.9891579193416603
Energy: 1.2044766638946003
Energy: 1.2044555792964704
Energy: 0.9817668885762963
Energy: 1.0439569962306092
Energy: 0.9904444093385477
Energy: 1.0439569962275386
Energy: 0.989704758172526
Energy: 1.0376989371551555
Energy: 1.125142618737227
Energy: 1.0376989371582257
Energy: 0.988482533516875
Energy: 1.0357547642807439
Energy: 1.2252940248333188
Energy: 1.0357547642792084
Energy: 1.0534965602169188
Energy: 1.0628404542568224
Energy: 1.077311517019103
Energy: 1.0628404542583576
Energy: 1.2118468433197804
Energy: 1.044950883485427
Energy: 0.9996770751729065
Energy: 1.0449508834823569
Energy: 1.2204387835369344
Energy: 1.0460159691583215
Energy: 0.9976603771040418
Energy: 1.0460159691583215
Energy: 1.093895882236607
Energy: 1.0814430902605237
Energy: 1.0239709479500185
Energy: 1.081443090380205
Energy: 1.0261492132191559
Energy: 1.0143967506410536
Energy: 1.1698655053704905
Energy: 1.0143967506410536
Energy: 1.0316060675037253
Energy: 1.0130400310699799
Energy: 1.1602605437045699
Energy: 1.0130400310715153
Energy: 1.0333175919011406
Energy: 1.0529236879867874
Energy: 1.0803842132090977
Energy: 1.0529236879039177
Energy: 1.0907332932002398
Energy: 1.0027124312111269
Energy: 1.0802946841309153
Energy: 1.0027124312095914
Energy: 1.0766835782705002
Energy: 1.00424015397795
Energy: 1.0813333964045397
Energy: 1.0042401539748795
Energy: 1.0842327916818273
Energy: 1.0238002996494329
Energy: 1.0518757023764254
Energy: 1.0238002996509683
Energy: 1.1714775927559529
Energy: 1.0141051051183292
Energy: 1.037165746678453
Energy: 1.0141051051213994
Energy: 1.1600463338429845
Energy: 1.0127700606244998
Energy: 1.027930126544017
Energy: 1.0127700606244998
Energy: 1.0000420315290577
Energy: 1.0174278332358015
Energy: 1.1174105338399123
Energy: 1.0174278332542248
Energy: 0.9975153295295658
Energy: 1.0448203778474945
Energy: 1.1538255943383404
Energy: 1.0448203778474945
Energy: 1.0079259847233795
Energy: 1.0440438351866608
Energy: 1.1706537310041139
Energy: 1.0440438351912666
Energy: 1.0488905940387676
Energy: 1.04355407077904
Energy: 0.9935577269154198
Energy: 1.0435540858471621
Energy: 1.1746839596606578
Energy: 1.0358842557318972
Energy: 0.9900721676488602
Energy: 1.0358842557457149
Energy: 1.0482250880391473
Energy: 1.0355095720662066
Energy: 0.9922669918767975
Energy: 1.0355095719418845
Energy: 1.058690240540176
Energy: 1.040482295368464
Energy: 0.992886015698933
Energy: 1.0404822953715347
Energy: 0.9903752488822137
Energy: 1.0331557276474406
Energy: 1.1615635715174535
Energy: 1.0331557276489758
Energy: 0.9903138710368616
Energy: 1.0531592202494775
Energy: 0.9923851873139969
Energy: 1.053159220274042
Energy: 1.1049903617227401
Energy: 1.036930401057068
Energy: 0.989108899891906
Energy: 1.036930401057068

minimum gb energy = 0.9817668885762963 eV
minimum distance =  2.25361531743176 Angstroms
sigma value = 41


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

Energy: 1.105515401189275
Energy: 0.9181455130148954
Energy: 1.1018148950851658
Energy: 1.094245689993535
Energy: 0.9109858196815895
Energy: 0.9704840247322118
Energy: 0.916723459048986
Energy: 0.9704840268684611
Energy: 0.9169510927414923
Energy: 0.954513023433888
Energy: 0.9242392962966385
Energy: 0.9545130234565442
Energy: 0.9171847585506628
Energy: 0.9528646702356349
Energy: 0.9094243733028998
Energy: 0.9528646702331176
Energy: 1.006758873438391
Energy: 0.922893872462219
Energy: 0.9281626976431957
Energy: 0.9228975543275201
Energy: 0.9152210568093523
Energy: 0.9633777482127043
Energy: 0.9248448421223413
Energy: 0.9633777482139629
Energy: 0.9094296620926604
Energy: 0.9649370386422562
Energy: 0.9210861722055451
Energy: 0.9649370386422562
Energy: 0.9617449336995747
Energy: 0.9969899751255423
Energy: 0.9455715328236934
Energy: 0.9969899749783637
Energy: 0.9384588911050986
Energy: 0.9375349962923385
Energy: 1.1074842836854266
Energy: 0.9375349962948558
Energy: 0.9416874127015429
Energy: 0.9349970270064164
Energy: 1.110073304228927
Energy: 0.9349970270089337
Energy: 0.9665805150801954
Energy: 0.9198780459620833
Energy: 0.9855202987295453
Energy: 0.9198780459608248
Energy: 1.0868139657376423
Energy: 0.9186997996323188
Energy: 0.9679077132015368
Energy: 0.9186997996310603
Energy: 1.0236406321132243
Energy: 0.9219786001129066
Energy: 0.9700649977860838
Energy: 0.9219786001154239
Energy: 0.9744369961300758
Energy: 0.9156662394869286
Energy: 1.0091431542782567
Energy: 0.9156662394856698
Energy: 1.0166301885639684
Energy: 0.9137487047026474
Energy: 1.0261913852394255
Energy: 0.9137487047013888
Energy: 1.0090159691549911
Energy: 0.9138945829257231
Energy: 0.9867422994095988
Energy: 0.9138945829257231
Energy: 0.9700375152802561
Energy: 0.9195071821355502
Energy: 0.9794143122133508
Energy: 0.9195071821368087
Energy: 0.9782115867247381
Energy: 0.9177729115903133
Energy: 1.0109305146806165
Energy: 0.9177729115928306
Energy: 0.9719017917186252
Energy: 0.9217241214499076
Energy: 1.0654237280412822
Energy: 0.9217241214461316
Energy: 1.0012128017362205
Energy: 0.9363604272383059
Energy: 0.9413933901414931
Energy: 0.9363604272383059
Energy: 1.065127021956214
Energy: 0.9381029583135021
Energy: 0.9433055167669128
Energy: 0.9381029583122436
Energy: 0.9422513540278947
Energy: 0.9355984721872093
Energy: 0.9646705128310883
Energy: 0.9355984721872093
Energy: 0.9207109123229039
Energy: 0.9631733059353984
Energy: 1.0343726459295879
Energy: 0.9631733059353984
Energy: 0.9222640468653213
Energy: 0.9641261230365773
Energy: 1.075206768313738
Energy: 0.9641261230403532
Energy: 0.9523225069207298
Energy: 0.9663696162649136
Energy: 0.9657809692681187
Energy: 0.9663696162649136
Energy: 1.0022687268156816
Energy: 0.9564324838103894
Energy: 0.9178581054327031
Energy: 0.9564324853314636
Energy: 0.9623675579509959
Energy: 0.9542633810967392
Energy: 0.9197540536158539
Energy: 0.9542633810954805
Energy: 0.995214439750542
Energy: 1.02166693164003
Energy: 0.9185424872594933
Energy: 1.0216669316387712
Energy: 0.917713440753612
Energy: 0.9614013213858369
Energy: 1.002201685307417
Energy: 0.9614013213820609
Energy: 0.9231541181942993
Energy: 0.9531888881971697
Energy: 1.025386850263844
Energy: 0.953188888212245
Energy: 0.9170291799093374
Energy: 0.9582900921128275
Energy: 0.9178279633751463
Energy: 0.9582900921153448
Energy: 0.9253855957246
Energy: 0.9576523773313647
Energy: 0.9192612296225311
Energy: 0.9576523773338822

minimum gb energy = 0.9094243733028998 eV
minimum distance =  2.24846624019666 Angstroms
sigma value = 15


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

Energy: 0.988704914953505
Energy: 0.8587546114699979
Energy: 1.0132462743899835
Energy: 1.0072154532104254
Energy: 0.8510497169904201
Energy: 0.903147407626294
Energy: 0.8561363543626843
Energy: 0.9031474078383849
Energy: 0.8567727980355843
Energy: 0.8875575470110343
Energy: 0.8629733214449994
Energy: 0.8875575476249637
Energy: 0.8567930247165414
Energy: 0.8894999860077328
Energy: 0.8498613900228493
Energy: 0.8894999860077328
Energy: 0.9355251652779151
Energy: 0.8769347044488686
Energy: 0.8886462997128478
Energy: 0.8769347026402314
Energy: 0.9316589752778054
Energy: 0.8965110966746899
Energy: 0.8624062254351027
Energy: 0.8965110966726058
Energy: 0.8953339572323457
Energy: 0.8971461255328751
Energy: 0.8580269817318049
Energy: 0.8971461255286101
Energy: 0.9153865222923867
Energy: 0.9112413984148384
Energy: 0.881802807620776
Energy: 0.91124138110733
Energy: 0.8707097347572911
Energy: 0.8722745165928764
Energy: 0.8960697146134171
Energy: 0.8722745165939426
Energy: 0.8702931509959888
Energy: 0.8737046110051083
Energy: 0.8958302711249371
Energy: 0.8737046110083072
Energy: 0.8999236509813993
Energy: 0.8572620056372395
Energy: 0.9135481813698114
Energy: 0.8572620056351071
Energy: 0.8965470773822731
Energy: 0.8592137907800862
Energy: 0.8898301168576922
Energy: 0.8592137907779538
Energy: 0.8973119132155003
Energy: 0.8552117260797633
Energy: 0.8885390950950721
Energy: 0.8552117260797633
Energy: 0.8972369568313207
Energy: 0.8499640997641513
Energy: 0.8933089305644265
Energy: 0.8499640997630852
Energy: 0.9233394656627736
Energy: 0.8472682058785902
Energy: 1.0234811595764057
Energy: 0.8472682058817889
Energy: 0.9159275833242693
Energy: 0.8476726807974085
Energy: 0.8911395475129407
Energy: 0.847672680795276
Energy: 0.9513641137111656
Energy: 0.844205674434082
Energy: 0.8979097203107759
Energy: 0.844205674429817
Energy: 0.9779228101883084
Energy: 0.8418194627886877
Energy: 0.9658412268041802
Energy: 0.8418194627854888
Energy: 0.8967862540544991
Energy: 0.8424823904127057
Energy: 0.9520050565675451
Energy: 0.842482390410573
Energy: 0.9038291697775162
Energy: 0.8483860944830188
Energy: 0.9164041088349132
Energy: 0.8483860944872356
Energy: 1.0119208661181207
Energy: 0.8465479242179542
Energy: 0.9238459158575177
Energy: 0.8465479242190204
Energy: 0.9331186569627811
Energy: 0.8547040994284295
Energy: 0.9001543848273007
Energy: 0.8547040994294473
Energy: 0.8903610129277196
Energy: 0.8560081057765978
Energy: 0.8981651920380307
Energy: 0.8560081057744651
Energy: 0.8901276062343277
Energy: 0.8552669383193764
Energy: 0.8974509236257896
Energy: 0.855266938321509
Energy: 0.899995895415042
Energy: 0.8541732497130572
Energy: 0.8996269641137058
Energy: 0.8541732497354488
Energy: 0.9140838550052626
Energy: 0.8722148292887251
Energy: 0.8884382701456632
Energy: 0.8722148292887251
Energy: 0.892319770658503
Energy: 0.8786217281255714
Energy: 0.8711355550752554
Energy: 0.8786217281223727
Energy: 0.8808182786334321
Energy: 0.8751139661807468
Energy: 0.8930513022106227
Energy: 0.875113966177548
Energy: 0.8597512055794404
Energy: 0.8987841925156274
Energy: 0.8742355090506925
Energy: 0.8987841925134947
Energy: 0.8686806423739698
Energy: 0.8988972654430706
Energy: 0.8740392421764517
Energy: 0.8988972654377391
Energy: 0.9284811517561606
Energy: 0.8830493523177182
Energy: 0.934951156079974
Energy: 0.8830493534069621
Energy: 0.9067240676686076
Energy: 0.8885417732800702
Energy: 0.8563232319665339
Energy: 0.8885417732853531
Energy: 0.9440045099585153
Energy: 0.8876880778747763
Energy: 0.8656314596818553
Energy: 0.8876880778747763
Energy: 0.9134417581187242
Energy: 0.9208104455603765
Energy: 0.8575365925139742
Energy: 0.9208104561021564
Energy: 1.0064927669250607
Energy: 0.8563112827015563
Energy: 0.8881991496173276
Energy: 0.8563112826930261
Energy: 0.8566357187323427
Energy: 0.9050881028893778
Energy: 0.8576877812370801
Energy: 0.9050881034894458
Energy: 0.8654383556860682
Energy: 0.9106225183072557
Energy: 0.8558675041227486
Energy: 0.9106225183051231

minimum gb energy = 0.8418194627854888 eV
minimum distance =  2.24544715389368 Angstroms
sigma value = 85


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

Energy: 0.9073894025474535
Energy: 0.7264074410330408
Energy: 0.8750140155660612
Energy: 0.8749995426188029
Energy: 0.7183592899383249
Energy: 0.7779403929745725
Energy: 0.7851729830194322
Energy: 0.7779403929736477
Energy: 0.7376346780611774
Energy: 0.7624325745471101
Energy: 0.8030696018448049
Energy: 0.7624325745471101
Energy: 0.7385302388612527
Energy: 0.7622551570204391
Energy: 0.7795400103464052
Energy: 0.7622551570195144
Energy: 0.7544060558938227
Energy: 0.7570511591343635
Energy: 0.7431101105006445
Energy: 0.7570511598230082
Energy: 0.8001943992818927
Energy: 0.7726597646863433
Energy: 0.7433515772173811
Energy: 0.772659764687268
Energy: 0.7788049119501519
Energy: 0.7726013145366286
Energy: 0.7430210934250968
Energy: 0.7726013145366286
Energy: 0.7853284701365908
Energy: 0.8222717052963078
Energy: 0.813655179244883
Energy: 0.8222717053074051
Energy: 0.775213836703075
Energy: 0.7708313310676644
Energy: 0.7899253328564815
Energy: 0.7708313310658148
Energy: 0.7871978440538996
Energy: 0.7711625973732674
Energy: 0.8056169744376085
Energy: 0.771162597375117
Energy: 0.8041652855174215
Energy: 0.7729599138297357
Energy: 0.8178248680247314
Energy: 0.7729599138306606
Energy: 0.802768941978457
Energy: 0.7703999152303492
Energy: 0.8051848488390725
Energy: 0.7703999152312742
Energy: 0.8169387350265747
Energy: 0.7710495221776973
Energy: 0.8059586589429336
Energy: 0.7710495221776973
Energy: 0.8170329005936432
Energy: 0.7701778248267284
Energy: 0.8114564866157467
Energy: 0.7701778248304274
Energy: 0.8416671279826122
Energy: 0.7699690839123513
Energy: 0.814062057626931
Energy: 0.7699690839160505
Energy: 0.8348119707820764
Energy: 0.7697104176390465
Energy: 0.8161154050146042
Energy: 0.7697104176371968
Energy: 0.8143661826410605
Energy: 0.7689847219403648
Energy: 0.8169111146919603
Energy: 0.7689847219375906
Energy: 0.869422571825824
Energy: 0.7679747565652933
Energy: 0.8725849862101372
Energy: 0.7679747565662183
Energy: 0.8159474108621184
Energy: 0.7690493589524879
Energy: 0.8655245693315
Energy: 0.7690493589515632
Energy: 0.8165245234480942
Energy: 0.768032253949796
Energy: 0.8947103166081982
Energy: 0.7680322539488712
Energy: 0.9034525267558371
Energy: 0.7679405038137901
Energy: 0.910130787571567
Energy: 0.7679405038128653
Energy: 0.8142847374284108
Energy: 0.7696584482341323
Energy: 0.817107533552751
Energy: 0.7696584482304542
Energy: 0.8666836793162805
Energy: 0.7686439050472347
Energy: 0.8159119602539349
Energy: 0.7686439050481594
Energy: 0.8701148978436438
Energy: 0.7684132145686018
Energy: 0.8178838000898432
Energy: 0.768413214566752
Energy: 0.8168757233643982
Energy: 0.7691702514472403
Energy: 0.8144321548709241
Energy: 0.7691702514444658
Energy: 0.8171539919670318
Energy: 0.769824242851794
Energy: 0.8382718919353738
Energy: 0.7698242428508691
Energy: 0.8162150934735304
Energy: 0.7690654768555604
Energy: 0.8342545951429458
Energy: 0.769065476856485
Energy: 0.8115628409943666
Energy: 0.7702027478914856
Energy: 0.8162722643473189
Energy: 0.7702027478951848
Energy: 0.8085085714482418
Energy: 0.7709279988269392
Energy: 0.8041797591625932
Energy: 0.7709279988250898
Energy: 0.8063980548411452
Energy: 0.7710941878602925
Energy: 0.8168610649214744
Energy: 0.7710941878602925
Energy: 0.8156214018479496
Energy: 0.8075285582381121
Energy: 0.8040746832658722
Energy: 0.8075285604547426
Energy: 0.7943256503286338
Energy: 0.7696555944004249
Energy: 0.8037718053723292
Energy: 0.7696555943995
Energy: 0.8164544728015822
Energy: 0.7730558227423026
Energy: 0.7818316105562778
Energy: 0.773055822740453
Energy: 0.7672767127212432
Energy: 0.7548317835271953
Energy: 0.789376809824744
Energy: 0.7548317867800398
Energy: 0.7459082261984269
Energy: 0.7719820568986404
Energy: 0.7890520585701473
Energy: 0.7719820568977158
Energy: 0.7425842911224332
Energy: 0.7727385465395791
Energy: 0.8123067299901994
Energy: 0.7727385465386544
Energy: 0.7744869787826153
Energy: 0.7526654536013767
Energy: 0.7372785713403965
Energy: 0.7526654600081567
Energy: 0.739991356902302
Energy: 0.7605707478740084
Energy: 0.7396584824130333
Energy: 0.7605707478786321
Energy: 0.7788133945991286
Energy: 0.7611814610275511
Energy: 0.7393136428074851
Energy: 0.7611814610192281
Energy: 0.7540345649452425
Energy: 0.7734140614488225
Energy: 0.816677376686846
Energy: 0.7734140614469731
Energy: 0.7368271504951461
Energy: 0.7602794616125899
Energy: 0.7839411495232236
Energy: 0.7602794616098155
Energy: 0.7371110022066386
Energy: 0.7933757648563873
Energy: 0.7370504728202439
Energy: 0.7930590041929275
Energy: 0.7976986288852259
Energy: 0.7620255881427819
Energy: 0.744251434135615
Energy: 0.7620255882500141

minimum gb energy = 0.7183592899383249 eV
minimum distance =  2.2503000286657 Angstroms
sigma value = 113


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

Energy: 0.014417149246154136
Energy: 0.014489666658423508
Energy: 0.9681340555367349
Energy: 0.10438005254030451
Energy: 0.015072608361114074
Energy: 0.16034989137729516
Energy: 0.09580799179758025
Energy: 0.1603498913779666
Energy: 0.09962296407981738
Energy: 0.1451010587927934
Energy: 0.014995239713746574
Energy: 0.14510105879417573
Energy: 0.11082884410860998
Energy: 0.10622149018253034
Energy: 0.016050414040462375
Energy: 0.10622149018181944
Energy: 0.09145149399239291
Energy: 0.1726202602183865
Energy: 0.10709962474906791
Energy: 0.1726202602183865
Energy: 0.015043131981878934
Energy: 0.13097842708409502
Energy: 0.10155930550911693
Energy: 0.13097842708480595

minimum gb energy = 0.014417149246154136 eV
minimum distance =  2.44481375059819 Angstroms
sigma value = 1