Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_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=2.855324894189835
cohesive_energy=4.1227593179916635
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=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.45904256417358e-19, -1.4631445522313819e-18, -2.2322165735541596e-18, -3.51796332233916e-18, -5.870647557003779e-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: 0.012742791833429768
Energy: 0.012845268247647569
Energy: 1.6368693520312223
Energy: 0.9274356225586635
Energy: 0.012845268247647569
Energy: 0.2145909290000752
Energy: 0.9270623823715909
Energy: 0.2145909290049903
Energy: 1.6368693520273125
Energy: 0.9270623823715909
Energy: 1.2561932280819987
Energy: 0.9270623823774833
Energy: 0.9274356225586635
Energy: 0.21459092900303545
Energy: 0.9270623823774833
Energy: 0.21459092900105264

minimum gb energy = 0.012742791833429768 eV
minimum distance =  2.43121085237251 Angstroms
sigma value = 1


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

Energy: 1.981053074584609
Energy: 1.0057223831569464
Energy: 0.8918102340869869
Energy: 0.8904090800329753
Energy: 1.7417585615179383
Energy: 0.991124940649971
Energy: 0.9902761216228682
Energy: 0.9911249406524095
Energy: 1.7441775548594876
Energy: 0.8926358050782448
Energy: 0.8926617299115419
Energy: 0.8926358050782448
Energy: 1.7453391219816798
Energy: 0.9188546487344572
Energy: 0.890980139123855
Energy: 0.918854648738115
Energy: 1.832105214982048
Energy: 0.8903706880574618
Energy: 1.282180095905001
Energy: 0.8903706880525849
Energy: 1.755300365659671
Energy: 0.9190431818707604
Energy: 1.2012950229964796
Energy: 0.9190431818756375
Energy: 1.657311370410049
Energy: 0.8922359092656933
Energy: 1.215553936746883
Energy: 0.8922359092608161
Energy: 1.5017648450045005
Energy: 0.8905259769144251
Energy: 1.1798874838701172
Energy: 0.8905259769144251
Energy: 1.4384979095868051
Energy: 0.8903083789150624
Energy: 1.1841757571032423
Energy: 0.8903083789199395
Energy: 1.5123463160769433
Energy: 0.9555844644917718
Energy: 1.5092195725676096
Energy: 0.9555844644905525
Energy: 1.4987432816193174
Energy: 0.8904790123040268
Energy: 1.4211953586186605
Energy: 0.8904790123028075
Energy: 1.1824072043155514
Energy: 0.8906295494942201
Energy: 1.5097619561179716
Energy: 0.8906295494954394
Energy: 1.246861316829964
Energy: 0.8919843710629187
Energy: 1.4984953789571687
Energy: 0.891984371059261
Energy: 1.200421191709514
Energy: 0.9187472407309415
Energy: 1.754585786911828
Energy: 0.9187472407309415
Energy: 1.2087350446851213
Energy: 0.8907063021685052
Energy: 1.5725639953363593
Energy: 0.8907063021648473
Energy: 0.8905531909212557
Energy: 0.9187965984705796
Energy: 1.75894303671091
Energy: 0.9187965984693602
Energy: 0.8926113357372831
Energy: 0.8921289145405208
Energy: 1.762761169004507
Energy: 0.8921289145405208
Energy: 0.9597883769905906
Energy: 0.9239391160099469
Energy: 1.7325453572534593
Energy: 0.9239391160123857
Energy: 0.8910915605673028
Energy: 0.8905192582789283
Energy: 1.6548400536231942
Energy: 0.8905192582813669
Energy: 1.02710911806701
Energy: 0.9575932207753107
Energy: 1.7441699788972875
Energy: 0.9575932207789685
Energy: 0.9982879477624526
Energy: 0.8919307676303093
Energy: 1.7437639714843078
Energy: 0.8919307676351863
Energy: 0.9960783155454718
Energy: 0.8901626136471776
Energy: 1.6784635027880588
Energy: 0.890162613644739
Energy: 0.9916926159384343
Energy: 0.8902726023353023
Energy: 1.4962419503135298
Energy: 0.8902726023401795
Energy: 1.3441094050541622
Energy: 0.890307955719748
Energy: 1.6816660692481205
Energy: 0.8903079557209673
Energy: 1.370019979090079
Energy: 0.8916551186138811
Energy: 1.6664436848076418
Energy: 0.8916551186114425
Energy: 1.3456187996986992
Energy: 1.1402443004950542
Energy: 1.3416164537728874
Energy: 1.1402443004999312
Energy: 1.3452101235559657
Energy: 0.9571739237069206
Energy: 1.4277794372043324
Energy: 0.957173923709359
Energy: 1.6790699751318838
Energy: 0.8904381133671223
Energy: 1.3408354842195949
Energy: 0.8904381133695608
Energy: 1.5728275898653596
Energy: 0.8903404001378886
Energy: 1.3499462554122172
Energy: 0.8903404001415465
Energy: 1.5706005387260185
Energy: 0.8903211536970327
Energy: 0.9967810088346677
Energy: 0.8903211536958134
Energy: 1.6674437805447204
Energy: 0.8910507576956894
Energy: 1.0099534969804451
Energy: 0.8910507576993473
Energy: 1.7507755944664005
Energy: 0.8919166182369426
Energy: 1.0367095350205764
Energy: 0.8919166182369426
Energy: 1.7470525190424628
Energy: 0.8906250345117714
Energy: 0.9826144931444104
Energy: 0.8906250345117714

minimum gb energy = 0.890162613644739 eV
minimum distance =  2.31383670631242 Angstroms
sigma value = 1


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

Energy: 2.418974300969478
Energy: 1.0758980182722677
Energy: 0.9542705067237256
Energy: 0.9559290912885778
Energy: 1.6943571560636923
Energy: 0.992219544448613
Energy: 0.9927597839644138
Energy: 0.9922195444472229
Energy: 1.7318094544021532
Energy: 0.9558322358558555
Energy: 0.9553511731200119
Energy: 0.9558322358530753
Energy: 1.723918843355706
Energy: 1.032068210074725
Energy: 1.0314449551509057
Energy: 1.0320682100733347
Energy: 2.0211586333552987
Energy: 0.9555569769470111
Energy: 1.0864971054183346
Energy: 0.9555569769511816
Energy: 1.7190760680280073
Energy: 1.0318366752891879
Energy: 1.2316241548337212
Energy: 1.0318366752877979
Energy: 1.7326887466529188
Energy: 0.9560455279501335
Energy: 1.1958845772776505
Energy: 0.9560455279515239
Energy: 1.5563117646039584
Energy: 0.9538191929896283
Energy: 1.1589256548818712
Energy: 0.9538191929910186
Energy: 1.5517625147105023
Energy: 1.0908628986820263
Energy: 1.1613403683559
Energy: 1.0908628986931164
Energy: 1.5657266889725996
Energy: 0.9883924732776245
Energy: 1.5149746516651772
Energy: 0.9883924732776245
Energy: 1.5099204219545745
Energy: 0.9181375308562612
Energy: 1.4258321984661702
Energy: 0.9181375308576514
Energy: 1.2305159896483326
Energy: 0.9170083176262664
Energy: 1.4260581312200984
Energy: 0.9170083176262664
Energy: 1.3269202488294727
Energy: 1.0625597052850448
Energy: 1.4342247843306821
Energy: 1.0625597052892155
Energy: 1.2323889357629785
Energy: 0.9171915209971634
Energy: 1.699533709561967
Energy: 0.9171915209971634
Energy: 1.1686161721295338
Energy: 0.9167852669405416
Energy: 1.6956289578708945
Energy: 0.916785266941932
Energy: 1.0258446646525057
Energy: 0.9169846334005537
Energy: 1.6983615236700538
Energy: 0.9169846333991635
Energy: 1.0252605822830791
Energy: 0.917392075429013
Energy: 1.6937059407501984
Energy: 0.9173920754317932
Energy: 1.1664422653510182
Energy: 0.9797481481101482
Energy: 1.60400600678806
Energy: 0.9797481481073679
Energy: 1.0257052940760443
Energy: 0.9172085276104874
Energy: 1.593530070518551
Energy: 0.9172085276090973
Energy: 1.2639470637298134
Energy: 1.005572626088751
Energy: 1.6047489868981488
Energy: 1.0055726260901414
Energy: 1.183200664831051
Energy: 0.955516602612467
Energy: 1.6181856739878873
Energy: 0.955516602612467
Energy: 1.165934728973271
Energy: 0.9517818817702175
Energy: 1.5351683702258472
Energy: 0.9517818817674369
Energy: 1.1813420427587302
Energy: 0.952063542312818
Energy: 1.5248319896693054
Energy: 0.9520635423100376
Energy: 1.5457799688651843
Energy: 1.0354215315824555
Energy: 1.5376358629091968
Energy: 1.0354215315824555
Energy: 1.4253870152799508
Energy: 1.1055125695021557
Energy: 1.5356389008033373
Energy: 1.1055125695021557
Energy: 1.4252282190234795
Energy: 1.1052207941048315
Energy: 1.2051235477535722
Energy: 1.1052207941048315
Energy: 1.546436655471367
Energy: 0.955653161961754
Energy: 1.2446208806811017
Energy: 0.9556531619561932
Energy: 1.7332428059763065
Energy: 0.9553731652545049
Energy: 1.2057396579919923
Energy: 0.9553731652545049
Energy: 1.6943312281369816
Energy: 0.9560224951829431
Energy: 1.1719461312159392
Energy: 0.9560224951843332

minimum gb energy = 0.9167852669405416 eV
minimum distance =  2.30119829033396 Angstroms
sigma value = 25


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

Energy: 2.0818756121420625
Energy: 1.0907396210702762
Energy: 0.9869847768581045
Energy: 0.9875837396050702
Energy: 1.5956421960988252
Energy: 1.0265539336458456
Energy: 1.1085074426009485
Energy: 1.0265539336458456
Energy: 1.6173690945912595
Energy: 0.990246318664704
Energy: 0.990158049481132
Energy: 0.990246318664704
Energy: 1.6178166555898617
Energy: 1.0173532300292634
Energy: 1.018806457751557
Energy: 1.0173532300292634
Energy: 1.533433714457491
Energy: 0.9865935591573076
Energy: 1.397171025573739
Energy: 0.9865935591589238
Energy: 1.639614556403989
Energy: 1.017485973590031
Energy: 1.3591231729589157
Energy: 1.0174859735884147
Energy: 1.617996551946873
Energy: 1.1383531806494895
Energy: 1.3415117771215705
Energy: 1.1383531806494895
Energy: 1.3306770298511612
Energy: 1.2280924972668346
Energy: 1.340564562291604
Energy: 1.2280924972652185
Energy: 1.3412204045374103
Energy: 1.138381820139799
Energy: 1.3407418611477546
Energy: 1.1383818201414153
Energy: 1.3632807996224143
Energy: 0.9872223003398289
Energy: 1.6193498574190872
Energy: 0.9872223003382128
Energy: 1.2958936032573256
Energy: 0.9869509846529504
Energy: 1.630844073355717
Energy: 0.9869509846529504
Energy: 1.0183594496180655
Energy: 1.0178787547107508
Energy: 1.6302017255304166
Energy: 1.0178787547091348
Energy: 0.9820457622829877
Energy: 0.9864992072782609
Energy: 1.6169579920822827
Energy: 0.9864992072782609
Energy: 1.0673046494482463
Energy: 0.987099295777806
Energy: 1.614261346921851
Energy: 0.987099295777806
Energy: 1.0185987892395967
Energy: 0.9875997287490725
Energy: 1.5314464238711953
Energy: 0.9875997287555369
Energy: 1.2361983137922894
Energy: 1.1082913647659371
Energy: 1.6153968364325708
Energy: 1.1082913647659371
Energy: 1.1245139800016344
Energy: 0.9869994944778113
Energy: 1.618153333603944
Energy: 0.9869994944778113
Energy: 1.1238914897785435
Energy: 0.9874129119611219
Energy: 1.528146693450937
Energy: 0.9874129119595059
Energy: 1.1980624870297445
Energy: 0.9876543932094752
Energy: 1.5005713749346066
Energy: 0.9876543932078592
Energy: 1.5469881164078012
Energy: 1.0744762300801094
Energy: 1.52849864931265
Energy: 1.0744762300817257
Energy: 1.434215689065363
Energy: 0.9866811629578637
Energy: 1.5280425082878286
Energy: 0.9866811629562476
Energy: 1.435029913352452
Energy: 0.9871275578198307
Energy: 1.166614353842895
Energy: 0.9871275578230628
Energy: 1.528220865369669
Energy: 0.9888432723517171
Energy: 1.1566964423387929
Energy: 0.9888432723517171
Energy: 1.6174857452485263
Energy: 0.9828015503033825
Energy: 1.2325213674413076
Energy: 0.9828015503049986
Energy: 1.6291790034226095
Energy: 0.9872594226682344
Energy: 1.147823620553875
Energy: 0.9872594226682344

minimum gb energy = 0.9820457622829877 eV
minimum distance =  2.30987021365897 Angstroms
sigma value = 9


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

Energy: 1.855925308481539
Energy: 1.316260575988994
Energy: 1.1240831182272562
Energy: 1.12364141192061
Energy: 1.4850830108501523
Energy: 1.0234339179657925
Energy: 1.1266798434497014
Energy: 1.0234339179717735
Energy: 1.5551466447455127
Energy: 1.0246007702867785
Energy: 1.0263890500195765
Energy: 1.0246007702861872
Energy: 1.5560729224925398
Energy: 1.1262549800108244
Energy: 1.1239217253582443
Energy: 1.1262549800058077
Energy: 1.4285457851175023
Energy: 1.0225418907748873
Energy: 1.166741463823996
Energy: 1.02254189075907
Energy: 1.5095575920541822
Energy: 1.1754441590459723
Energy: 1.413335427204427
Energy: 1.1754441590473304
Energy: 1.554016160512585
Energy: 1.176384045884634
Energy: 1.0034316691131837
Energy: 1.1763840458832975
Energy: 1.3691195887475294
Energy: 1.1748572171949085
Energy: 1.3336746677720714
Energy: 1.1748572171893001
Energy: 1.3032189236548228
Energy: 1.1752065962984257
Energy: 1.3365568486206767
Energy: 1.175206596298623
Energy: 1.3708364469967436
Energy: 1.1762237762639256
Energy: 1.5093914169956808
Energy: 1.176223776264101
Energy: 1.299255936375854
Energy: 1.1249805886562823
Energy: 1.4862739638568525
Energy: 1.1249805886564794
Energy: 1.124920536477219
Energy: 1.126349608720828
Energy: 1.4854559870302404
Energy: 1.126349608722953
Energy: 1.124853481790877
Energy: 1.0263875071301656
Energy: 1.5490531255204776
Energy: 1.0263875071313266
Energy: 1.12359492419559
Energy: 1.0263984863292026
Energy: 1.5091595003869043
Energy: 1.0263984863313276
Energy: 1.1252929682063835
Energy: 1.0240073018772855
Energy: 1.427445323172391
Energy: 1.0240073018765188
Energy: 1.4100930256298823
Energy: 1.266023745611867
Energy: 1.5561658153953142
Energy: 1.2660237456122614
Energy: 1.0032672436800973
Energy: 1.0263316410256027
Energy: 1.5557698880118842
Energy: 1.0263316410290861
Energy: 1.0033055572802774
Energy: 1.1754189796218246
Energy: 1.3693479247389173
Energy: 1.1754189796202692
Energy: 1.328435909591209
Energy: 1.176378922845736
Energy: 1.445016234459156
Energy: 1.176378922845736
Energy: 1.5057543364762072
Energy: 1.1755439771332932
Energy: 1.3703424408417153
Energy: 1.1755439771334903
Energy: 1.4851618422581485
Energy: 1.127021478443564
Energy: 1.3685098657725867
Energy: 1.1270214784445278

minimum gb energy = 1.0032672436800973 eV
minimum distance =  2.31924525544664 Angstroms
sigma value = 25


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

Energy: 1.6245739910960346
Energy: 1.187029208692031
Energy: 1.2489740142248027
Energy: 1.203013943178887
Energy: 1.3540054248531828
Energy: 1.131906552500797
Energy: 1.2128076633701488
Energy: 1.1319065525012577
Energy: 1.449627334322176
Energy: 1.1174736681697481
Energy: 1.1156555748100472
Energy: 1.1174736681697481
Energy: 1.4352092749178837
Energy: 1.1195596724849155
Energy: 1.1189640574538222
Energy: 1.1195596724839674
Energy: 1.358608240838421
Energy: 1.1164195702679782
Energy: 1.4961038427830735
Energy: 1.1164195702522373
Energy: 1.4569446972501305
Energy: 1.2391064594421692
Energy: 1.4257250547474192
Energy: 1.2391064594407606
Energy: 1.4491639458797445
Energy: 1.118550408502309
Energy: 1.501039780971743
Energy: 1.1185504085044495
Energy: 1.118668434152102
Energy: 1.1193964530368599
Energy: 1.496794411660921
Energy: 1.1193964530373204
Energy: 1.1192399233035213
Energy: 1.1173888035034159
Energy: 1.4418323572320748
Energy: 1.1173888035027115
Energy: 1.1861524031087702
Energy: 1.1168368658574912
Energy: 1.4401626146615658
Energy: 1.1168368658257921
Energy: 1.1172461367726543
Energy: 1.1333220904575598
Energy: 1.4347933968844038
Energy: 1.1333220904582915
Energy: 1.4478274604646633
Energy: 1.131969546743306
Energy: 1.4332651081699108
Energy: 1.131969546743306
Energy: 1.3038824669856266
Energy: 1.1170616057975473
Energy: 1.4422250662534906
Energy: 1.1170616057975473
Energy: 1.302592234629865
Energy: 1.2417756174418302
Energy: 1.3667403428471008
Energy: 1.2417756174427783
Energy: 1.3909443122390543
Energy: 1.2414787991663947
Energy: 1.3626887675946455
Energy: 1.2414787991663947
Energy: 1.4411125896717702
Energy: 1.2413304240638994
Energy: 1.36927602351153
Energy: 1.2413304240648477
Energy: 1.354170193005637
Energy: 1.2495771420293025
Energy: 1.3812931397918244
Energy: 1.2495771420295194

minimum gb energy = 1.1156555748100472 eV
minimum distance =  2.30394910915873 Angstroms
sigma value = 17


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

Energy: 1.6151828961786006
Energy: 1.2305295766415405
Energy: 1.2929606804195037
Energy: 1.1969316690261511
Energy: 1.3374753395171988
Energy: 1.132185794111194
Energy: 1.2963150654645401
Energy: 1.1321857941138946
Energy: 1.3937880070104518
Energy: 1.1328789437128406
Energy: 1.1331927046427641
Energy: 1.1328789437128406
Energy: 1.411302876417589
Energy: 1.1233134194001264
Energy: 1.1222305616119412
Energy: 1.1233134193974261
Energy: 1.4077504784259938
Energy: 1.2717439253530154
Energy: 1.4349583014488638
Energy: 1.2717439253476142
Energy: 1.3600379172206718
Energy: 1.1384033796455448
Energy: 1.350534773865887
Energy: 1.1384033796414943
Energy: 1.3863643882184224
Energy: 1.156982161529178
Energy: 1.4421487941513236
Energy: 1.1569821615264775
Energy: 1.226762018879136
Energy: 1.2272163197518524
Energy: 1.3860713308571393
Energy: 1.2272163197491517
Energy: 1.1550855682706718
Energy: 1.13841116464423
Energy: 1.3661412251221576
Energy: 1.1384111646415296
Energy: 1.1472972461723163
Energy: 1.1388911335903562
Energy: 1.36672205166512
Energy: 1.1388911335917065
Energy: 1.140853463664069
Energy: 1.2378281801632511
Energy: 1.4131965320977824
Energy: 1.2378281801605506
Energy: 1.3616745035846332
Energy: 1.131769875095784
Energy: 1.3671983423669372
Energy: 1.131769875099835
Energy: 1.4428744843887775
Energy: 1.2579767370738808
Energy: 1.370164104736327
Energy: 1.2579767370752308
Energy: 1.4433428509056931
Energy: 1.148661868013371
Energy: 1.1488149029695998
Energy: 1.148661868013371
Energy: 1.3450855063731189
Energy: 1.1312405443093354
Energy: 1.1506037458187224
Energy: 1.1312405443079852
Energy: 1.3448397416156836
Energy: 1.138490830442666
Energy: 1.1793623571634475
Energy: 1.1384908304440162
Energy: 1.4223888266751676
Energy: 1.2262283497324789
Energy: 1.2275897751247884
Energy: 1.226228349733829
Energy: 1.4227149672704726
Energy: 1.226263061880868
Energy: 1.4268373195448296
Energy: 1.2262630618795176
Energy: 1.3446301471829751
Energy: 1.1380434016878278
Energy: 1.375983259805074
Energy: 1.1380434016891778
Energy: 1.1624416848720913
Energy: 1.271569376870017
Energy: 1.4283549247016312
Energy: 1.271569376870017
Energy: 1.121215126964681
Energy: 1.1337637840073849
Energy: 1.375453469089287
Energy: 1.1337637840087353
Energy: 1.1913027533654463
Energy: 1.1330084511779885
Energy: 1.3755967319938969
Energy: 1.1330084511833898
Energy: 1.1875927102619082
Energy: 1.1848517547330435
Energy: 1.3752754527490478
Energy: 1.1848517547330435
Energy: 1.3127514473394686
Energy: 1.134933529768785
Energy: 1.421833832252588
Energy: 1.134933529772836
Energy: 1.3773587828331597
Energy: 1.1328561349909032
Energy: 1.3775859436087663
Energy: 1.132856134989553
Energy: 1.2460288380301998
Energy: 1.2346336403807936
Energy: 1.3772270032494711
Energy: 1.2346336403834939
Energy: 1.295205869174066
Energy: 1.2372281703956205
Energy: 1.289491439650033
Energy: 1.2372281703915695
Energy: 1.3840251538456392
Energy: 1.234488339958497
Energy: 1.2505279658837702
Energy: 1.2344883399598472
Energy: 1.392769829577208
Energy: 1.1324349013545947
Energy: 1.36941595749441
Energy: 1.1324349013545947
Energy: 1.3840715493051368
Energy: 1.1353869423681495
Energy: 1.3119942116787493
Energy: 1.1353869423681495

minimum gb energy = 1.121215126964681 eV
minimum distance =  2.2871086409251 Angstroms
sigma value = 53


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

Energy: 1.0009809329618327
Energy: 1.0179079171826253
Energy: 1.0338666400841496
Energy: 1.5489299146479993
Energy: 1.003052436831321
Energy: 1.0306058608440085
Energy: 1.0424306661841694
Energy: 1.0306058608446442
Energy: 1.354391704176991
Energy: 1.0497072016260014
Energy: 1.0305343343296895
Energy: 1.0497072016263194
Energy: 1.2039668871485567
Energy: 1.0546418791023429
Energy: 1.0362235853147392
Energy: 1.0546418791013892
Energy: 1.2050045266894513
Energy: 1.0333797283722541
Energy: 1.0426789942126704
Energy: 1.0333797283731725
Energy: 1.200556605246481
Energy: 1.0533834247091316
Energy: 1.2663075566100763
Energy: 1.0533834247088136
Energy: 1.265071627644023
Energy: 1.0520576567320687
Energy: 1.0031599264798574
Energy: 1.0520576567336228
Energy: 1.037330186509429
Energy: 1.0345845338701427
Energy: 1.003210119983694
Energy: 1.0345845338710966
Energy: 1.0351492896252097
Energy: 1.0514077564797988
Energy: 1.266395797213619
Energy: 1.0514077564807174
Energy: 1.0386058233141813
Energy: 1.0545153634739561
Energy: 1.1997923694778885
Energy: 1.0545153634838826
Energy: 1.0367418604914658
Energy: 1.0310535222616253
Energy: 1.2049127126183976
Energy: 1.0310535222666062
Energy: 1.3556950053841421
Energy: 1.1388273354763405
Energy: 1.2040675430499375
Energy: 1.1388273354747862
Energy: 1.0032042553642513
Energy: 1.0506113649921016
Energy: 1.354530832801154
Energy: 1.0506113649924194

minimum gb energy = 1.0009809329618327 eV
minimum distance =  2.2969475870505 Angstroms
sigma value = 9


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

Energy: 1.7127559541230515
Energy: 1.3074606049657924
Energy: 1.3376059147884505
Energy: 1.3141446378184893
Energy: 1.5300597336433783
Energy: 1.2621423749699825
Energy: 1.3741277691710734
Energy: 1.262142374973434
Energy: 1.2418357567693905
Energy: 1.2212469484685697
Energy: 1.2639404071877016
Energy: 1.2212469484651183
Energy: 1.2386431530301527
Energy: 1.2207043407069427
Energy: 1.2397290685921782
Energy: 1.220704340705792
Energy: 1.214732227201973
Energy: 1.2202336608175284
Energy: 1.241273436474557
Energy: 1.2202336608163777
Energy: 1.329861605117354
Energy: 1.2631776782610782
Energy: 1.4709062189850168
Energy: 1.2631776782576265
Energy: 1.4043078002824456
Energy: 1.3756494691100034
Energy: 1.595669779532389
Energy: 1.3756494691146055
Energy: 1.481504774491416
Energy: 1.2799449528800237
Energy: 1.5895978229419796
Energy: 1.2799449528271512
Energy: 1.3921366480088069
Energy: 1.2352592891737646
Energy: 1.3166906908133225
Energy: 1.2352592891726142
Energy: 1.260655341939447
Energy: 1.2675418308069244
Energy: 1.166966356491393
Energy: 1.2675418308069244
Energy: 1.3906090527885842
Energy: 1.2299877080403148
Energy: 1.1645691096238326
Energy: 1.2299877080391644
Energy: 1.3574503173848556
Energy: 1.2750399543136206
Energy: 1.2210860422334362
Energy: 1.2750399543147712
Energy: 1.5961761117757083
Energy: 1.3135000976469646
Energy: 1.3123188099215246
Energy: 1.313500097643513
Energy: 1.5966768641765456
Energy: 1.3116039937163078
Energy: 1.5277254946397114
Energy: 1.3116039937140067
Energy: 1.4001664139983674
Energy: 1.2746896620336947
Energy: 1.51021224835627
Energy: 1.2746896620336947
Energy: 1.2745419799506201
Energy: 1.3064295694040053
Energy: 1.474768417786492
Energy: 1.3064295693959518
Energy: 1.1797725784702136
Energy: 1.1832487689566782
Energy: 1.5480094607707489
Energy: 1.1832487689543771
Energy: 1.198803596461288
Energy: 1.238319313546314
Energy: 1.5395870360859305
Energy: 1.238319313546314
Energy: 1.23447536513667
Energy: 1.2824908045875918
Energy: 1.5485133190240175
Energy: 1.282490804592194
Energy: 1.2339737317284871
Energy: 1.304043854477016
Energy: 1.5477667672936624
Energy: 1.3040438544758657
Energy: 1.4938901284015487
Energy: 1.234231743664765
Energy: 1.5121963889163803
Energy: 1.234231743667066
Energy: 1.6179881513046246
Energy: 1.233774153323344
Energy: 1.5046921946960063
Energy: 1.2337741533210427
Energy: 1.6192786572640112
Energy: 1.2337970748873575
Energy: 1.2337867365814417
Energy: 1.2337970748827554
Energy: 1.5561388571594053
Energy: 1.2334852197103254
Energy: 1.221515949894003
Energy: 1.2334852197091748
Energy: 1.5382315072657888
Energy: 1.2664432337594071
Energy: 1.178751782385216
Energy: 1.2664432337559555
Energy: 1.3687758187033379
Energy: 1.3054832278590538
Energy: 1.1800678312986188
Energy: 1.3054832278590538
Energy: 1.5506312429322764
Energy: 1.269903168444719
Energy: 1.4762923332508207
Energy: 1.269903168442418
Energy: 1.5195853145366365
Energy: 1.3031165969629381
Energy: 1.6076174868022952
Energy: 1.3031165969629381
Energy: 1.3145739110218424
Energy: 1.2866911322993242
Energy: 1.6184998992950934
Energy: 1.2866911322567542
Energy: 1.311404345075464
Energy: 1.2977126967317074
Energy: 1.611187045759
Energy: 1.2977126967305568
Energy: 1.2137685354272987
Energy: 1.226540715246212
Energy: 1.3907033768534731
Energy: 1.2265407152473626
Energy: 1.1655995525654876
Energy: 1.1662488694264626
Energy: 1.3884974631713929
Energy: 1.1662488694299142
Energy: 1.2668186531221342
Energy: 1.268457304239984
Energy: 1.390661890066669
Energy: 1.2684573042411345
Energy: 1.458708784418607
Energy: 1.2629181348713459
Energy: 1.508340769424161
Energy: 1.2629181348655933
Energy: 1.61601509950225
Energy: 1.3885555027336693
Energy: 1.4990275419402628
Energy: 1.3885555027313683

minimum gb energy = 1.1645691096238326 eV
minimum distance =  2.23810050718696 Angstroms
sigma value = 73


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

Energy: 1.699332448299625
Energy: 1.2990013863290455
Energy: 1.3627146739351355
Energy: 1.3618593438246618
Energy: 1.57103605605981
Energy: 1.3259860638562855
Energy: 1.3885058678829976
Energy: 1.325986063856638
Energy: 1.299107834204371
Energy: 1.251541276667938
Energy: 1.3232528083658948
Energy: 1.2515412766650338
Energy: 1.2938620059928343
Energy: 1.2511967901069163
Energy: 1.2932125325257715
Energy: 1.2511967901328251
Energy: 1.295444075250485
Energy: 1.2510172864834899
Energy: 1.3277223718506403
Energy: 1.2510172864823903
Energy: 1.3870570828573732
Energy: 1.3299411654296378
Energy: 1.4816965832549067
Energy: 1.3299411654294513
Energy: 1.390230647391597
Energy: 1.3887178152008408
Energy: 1.5981055570013656
Energy: 1.3887178152019402
Energy: 1.562494633953199
Energy: 1.3079175084928938
Energy: 1.6385477442512828
Energy: 1.3079175084947192
Energy: 1.5077530832293855
Energy: 1.2630951539888757
Energy: 1.397947272869108
Energy: 1.263095153989249
Energy: 1.32341348834404
Energy: 1.320731037521899
Energy: 1.1860365780569802
Energy: 1.3207310375208205
Energy: 1.5078677275581065
Energy: 1.271911867970434
Energy: 1.180724935692288
Energy: 1.2719118679706207
Energy: 1.5262478830704431
Energy: 1.2971998340342923
Energy: 1.2553104737975451
Energy: 1.2971998340335456
Energy: 1.4716601853087632
Energy: 1.2366878086232773
Energy: 1.2366880999093863
Energy: 1.2366878086229038
Energy: 1.4713518123742975
Energy: 1.3325206516020223
Energy: 1.5396423746376484
Energy: 1.3325206516012962
Energy: 1.5720400850295717
Energy: 1.3048308616550466
Energy: 1.6091396636787623
Energy: 1.3048308616557935
Energy: 1.5321735447497165
Energy: 1.3327646714970895
Energy: 1.6298290588514288
Energy: 1.3327646714969028
Energy: 1.2366891766738155
Energy: 1.2855235723848302
Energy: 1.6218295598372159
Energy: 1.2855235723846432
Energy: 1.2552552627826639
Energy: 1.2970621378181395
Energy: 1.593258533412728
Energy: 1.2970621378159612
Energy: 1.1807289664734353
Energy: 1.1841194253810816
Energy: 1.5041752501026133
Energy: 1.184119425381621
Energy: 1.2278226859075256
Energy: 1.3211714155234198
Energy: 1.4877001321256176
Energy: 1.321171415522694
Energy: 1.3704079677493264
Energy: 1.2702394243209707
Energy: 1.5037913140421475
Energy: 1.2702394243184192
Energy: 1.6158603363799648
Energy: 1.3128570504582762
Energy: 1.585163988232462
Energy: 1.3128570504588155

minimum gb energy = 1.180724935692288 eV
minimum distance =  2.26316305213942 Angstroms
sigma value = 7


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

Energy: 2.5323941271592254
Energy: 1.399006572004075
Energy: 1.4651923028702387
Energy: 1.4686057151091523
Energy: 1.6507839074307842
Energy: 1.2964650168450216
Energy: 1.386720926804573
Energy: 1.296465016885006
Energy: 1.4160652712432986
Energy: 1.2849523696677656
Energy: 1.3859952250505374
Energy: 1.2849523696690566
Energy: 1.326840249118678
Energy: 1.2927312702306013
Energy: 1.3064569968978577
Energy: 1.2927312702293106
Energy: 1.3331794278204607
Energy: 1.2826499995056484
Energy: 1.3330511502663769
Energy: 1.2826499995095209
Energy: 1.4040071619949994
Energy: 1.283715625395261
Energy: 1.5134368383114107
Energy: 1.2837156254003947
Energy: 1.3893947565598594
Energy: 1.4786113973062915
Energy: 1.697294715435437
Energy: 1.4786113973037098
Energy: 1.4904041856887094
Energy: 1.3155470267362326
Energy: 1.697168551814744
Energy: 1.3155470267401048
Energy: 1.4493982291538834
Energy: 1.3447803536516911
Energy: 1.4253262354062919
Energy: 1.3447803536555634
Energy: 1.4990267299098825
Energy: 1.4474740297751776
Energy: 1.27686933310815
Energy: 1.4474740297751776
Energy: 1.4476767837673266
Energy: 1.2836301383587347
Energy: 1.2499658802066627
Energy: 1.2836301383600255
Energy: 1.5448483893858105
Energy: 1.3294194164742268
Energy: 1.3201738470271194
Energy: 1.3294194164548654
Energy: 1.6625173029162108
Energy: 1.269393463454219
Energy: 1.258910211024204
Energy: 1.2693934635497066
Energy: 1.6699782894137438
Energy: 1.3209977293860928
Energy: 1.5046545539332106
Energy: 1.3209977293822208
Energy: 1.5468714886017194
Energy: 1.3418304785450064
Energy: 1.6810160580962026
Energy: 1.3418304785437156
Energy: 1.4736574914574423
Energy: 1.2175254836544058
Energy: 1.7824770401834378
Energy: 1.217525483653115
Energy: 1.333162836163694
Energy: 1.2152440124339978
Energy: 1.7919021883981476
Energy: 1.2152440124339978
Energy: 1.4309735798155743
Energy: 1.3018100908355965
Energy: 1.4817413515721716
Energy: 1.3018100908355965
Energy: 1.3720102941444967
Energy: 1.3054684717973848
Energy: 1.3309084439330263
Energy: 1.3054684717935128
Energy: 1.3733525396318336
Energy: 1.305672913796423
Energy: 1.3317906309409802
Energy: 1.3056729137977139
Energy: 1.3900481771239348
Energy: 1.2083758840856205
Energy: 1.3395388386768747
Energy: 1.208375884088202
Energy: 1.7070763156770659
Energy: 1.416245975461975
Energy: 1.38672045410453
Energy: 1.4162459754645564
Energy: 1.7013058086120332
Energy: 1.5015381686116336
Energy: 1.5547523881300787
Energy: 1.5015381686116336
Energy: 1.3901580284143433
Energy: 1.209067018725879
Energy: 1.5292216193520352
Energy: 1.2090670187323327
Energy: 1.3410159862562236
Energy: 1.3669124598337086
Energy: 1.493241203813857
Energy: 1.3669124598349993
Energy: 1.2479656553760115
Energy: 1.2809440363168463
Energy: 1.4831824069426356
Energy: 1.280944036319428
Energy: 1.3307929540956431
Energy: 1.2561869769155938
Energy: 1.5555707419598064
Energy: 1.256186976914303
Energy: 1.233402758539568
Energy: 1.2309398971320837
Energy: 1.6299997479804187
Energy: 1.2309398971320837
Energy: 1.2586818806993978
Energy: 1.3081863435051908
Energy: 1.6144594699297072
Energy: 1.3081863435077723
Energy: 1.5417306138736766
Energy: 1.3221403344959215
Energy: 1.6299428875631914
Energy: 1.322140334503666
Energy: 1.6509162308396004
Energy: 1.415705145769508
Energy: 1.6429508332914107
Energy: 1.4157051457669263

minimum gb energy = 1.2083758840856205 eV
minimum distance =  2.24595645183524 Angstroms
sigma value = 29


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

Energy: 1.6209149694158476
Energy: 1.2588580548643307
Energy: 1.3944841476836503
Energy: 1.4744752134708101
Energy: 1.4106100287672998
Energy: 1.2242227175109455
Energy: 1.3903607703272984
Energy: 1.2242227175087474
Energy: 1.3596060123326164
Energy: 1.219168425256919
Energy: 1.2824000536380236
Energy: 1.219168425256919
Energy: 1.2877610990927124
Energy: 1.217070242636599
Energy: 1.1116430962323485
Energy: 1.217070242642319
Energy: 1.2908733476801553
Energy: 1.2260107664619444
Energy: 1.2768421802388128
Energy: 1.2260107664614945
Energy: 1.2862724947165853
Energy: 1.2181611698650587
Energy: 1.3404402724588764
Energy: 1.2181611698681312
Energy: 1.3961418192133324
Energy: 1.3919779612347518
Energy: 1.2633417604434598
Energy: 1.391977961233428
Energy: 1.4365598556939518
Energy: 1.2217379141413018
Energy: 1.3439751772845174
Energy: 1.2217379141413018
Energy: 1.4099208984520828
Energy: 1.2563240821156756
Energy: 1.4366435313974646
Energy: 1.2563240821147765

minimum gb energy = 1.1116430962323485 eV
minimum distance =  2.25516227967992 Angstroms
sigma value = 5


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

Energy: 1.6916523399305512
Energy: 1.5691220476633643
Energy: 1.7359371762116111
Energy: 1.6612940945977155
Energy: 1.3075344391291963
Energy: 1.250440094555459
Energy: 1.5054408240062622
Energy: 1.2504400945530203
Energy: 1.1881515487336527
Energy: 1.1961754938169586
Energy: 1.4915086382568596
Energy: 1.1961754938169586
Energy: 1.186498267067609
Energy: 1.2498892008200004
Energy: 1.4214161969568098
Energy: 1.2498892008163425
Energy: 1.2307552280962122
Energy: 1.2140714201286715
Energy: 1.442554814426194
Energy: 1.214071419958082
Energy: 1.212727751187299
Energy: 1.2292170930263944
Energy: 1.4012913504939908
Energy: 1.2292170930227366
Energy: 1.2043497557117353
Energy: 1.2837707011871384
Energy: 1.3620147749515144
Energy: 1.2837707011944541
Energy: 1.2052677974309522
Energy: 1.2293622827982102
Energy: 1.3585307896548675
Energy: 1.2293622828018678
Energy: 1.5298285640451015
Energy: 1.2790726354232658
Energy: 1.4013716851267206
Energy: 1.2790726354220463
Energy: 1.4847479074531227
Energy: 1.4300979676708732
Energy: 1.49152337155678
Energy: 1.430097967669654
Energy: 1.5298563423403024
Energy: 1.2595333954043406
Energy: 1.559429915534487
Energy: 1.259533395406779
Energy: 1.416336380392067
Energy: 1.230705934472409
Energy: 1.5493763154220783
Energy: 1.2307059344736282
Energy: 1.3455204613265797
Energy: 1.33516837281936
Energy: 1.5552736891546879
Energy: 1.3351683729339732
Energy: 1.3967436849562647
Energy: 1.3212578893811404
Energy: 1.2065793882583906
Energy: 1.321257889379921
Energy: 1.365125263474868
Energy: 1.287038719094887
Energy: 1.2054381300953012
Energy: 1.2870387190961063
Energy: 1.3609190275335727
Energy: 1.229996628192402
Energy: 1.2053663466414173
Energy: 1.2299966281899632
Energy: 1.4431907876142387
Energy: 1.3149311427170056
Energy: 1.2547755509861271
Energy: 1.314931142719444
Energy: 1.4927873646555134
Energy: 1.200605163298746
Energy: 1.188893220480108
Energy: 1.200605163298746
Energy: 1.4971393277239677
Energy: 1.3347148506483635
Energy: 1.187211450259951
Energy: 1.3347148506483635
Energy: 1.510757931147116
Energy: 1.1956146619429147
Energy: 1.1884292425552947
Energy: 1.1956146619477916
Energy: 1.5180753073841857
Energy: 1.2585509942409585
Energy: 1.6183675230239398
Energy: 1.2585509942457802
Energy: 1.6368701201787912
Energy: 1.4390911621442113
Energy: 1.6215794160613541
Energy: 1.4390911621429923
Energy: 1.5859511555763972
Energy: 1.2127632646127082
Energy: 1.285850104685535
Energy: 1.212763264607831
Energy: 1.5544938763658105
Energy: 1.2356403647302963
Energy: 1.2843760304669154
Energy: 1.2356403647327348
Energy: 1.5536423638493084
Energy: 1.1985162998286387
Energy: 1.2321997385954584
Energy: 1.1985162998237615
Energy: 1.367513102791597
Energy: 1.2593847506479985
Energy: 1.30973072758867
Energy: 1.259384750649218
Energy: 1.2541858405345039
Energy: 1.2548064077656265
Energy: 1.262267907483066
Energy: 1.2548064077668455
Energy: 1.2600024403381997
Energy: 1.2514835191441682
Energy: 1.2556109397415056
Energy: 1.2514835191429492
Energy: 1.2906600272135493
Energy: 1.2813777557201012
Energy: 1.3308784738569694
Energy: 1.2813777557213206
Energy: 1.2521485553160168
Energy: 1.2329013298875129
Energy: 1.4853951435873762
Energy: 1.2329013298850742
Energy: 1.2914898377028516
Energy: 1.2356415193907186
Energy: 1.487153105790016
Energy: 1.2356415193894994
Energy: 1.2157976503244596
Energy: 1.209104360900271
Energy: 1.5818598759507942
Energy: 1.209104360900271
Energy: 1.686701554713241
Energy: 1.4394528314055373
Energy: 1.5775060546526305
Energy: 1.4394528314127977

minimum gb energy = 1.186498267067609 eV
minimum distance =  2.2263686481063 Angstroms
sigma value = 1


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

Energy: 1.9290656108424853
Energy: 1.3145913452499425
Energy: 1.4191336511978334
Energy: 1.5766550413706322
Energy: 1.4893292336281887
Energy: 1.2985162935632113
Energy: 1.277699467329929
Energy: 1.298516293566583
Energy: 1.1726818662663694
Energy: 1.174925025769566
Energy: 1.3772707999333127
Energy: 1.174925025769566
Energy: 1.1762090487647174
Energy: 1.1750658661619968
Energy: 1.1818767077144565
Energy: 1.1750658661619968
Energy: 1.1778256196054693
Energy: 1.1988061105523644
Energy: 1.328623257831556
Energy: 1.1988061105506784
Energy: 1.1766145192473623
Energy: 1.1999855712235923
Energy: 1.3306623332342185
Energy: 1.1999855712235923
Energy: 1.166312860474531
Energy: 1.260227150310125
Energy: 1.3758502544530264
Energy: 1.2602271503118108
Energy: 1.1726929546648983
Energy: 1.173549668255254
Energy: 1.373104220077262
Energy: 1.173549668255254
Energy: 1.1704302863996776
Energy: 1.298933853252252
Energy: 1.3387813599420855
Energy: 1.298933853269111
Energy: 1.3626196686124596
Energy: 1.6229431714870814
Energy: 1.5346483074944672
Energy: 1.6229431714887677
Energy: 1.171304335825435
Energy: 1.1752421024811917
Energy: 1.3847712148607783
Energy: 1.1752421024845634
Energy: 1.1675115790961734
Energy: 1.1732860610900435
Energy: 1.5470843699209151
Energy: 1.1732860610900435
Energy: 1.1617831380709362
Energy: 1.1738993755985687
Energy: 1.5500312964499812
Energy: 1.1738993756002163
Energy: 1.2797359276642069
Energy: 1.2510826496071425
Energy: 1.3007311701669404
Energy: 1.2510826496088285
Energy: 1.1816352241975812
Energy: 1.1866125848859153
Energy: 1.1720269368002838
Energy: 1.186612584867409
Energy: 1.1806255482968824
Energy: 1.1725834326120417
Energy: 1.1611421943529021
Energy: 1.1725834326120417
Energy: 1.3320100129199204
Energy: 1.1899504333853148
Energy: 1.179979415817426
Energy: 1.189950433383629
Energy: 1.372679105937074
Energy: 1.1701060310624314
Energy: 1.1614318480226513
Energy: 1.1701060310624314
Energy: 1.376301569870924
Energy: 1.2606399062634366
Energy: 1.170669375630862
Energy: 1.2606399062634366
Energy: 1.365696214526023
Energy: 1.1735897208186108
Energy: 1.1709662152160798
Energy: 1.1735897208101818
Energy: 1.3408303732462423
Energy: 1.1747785343278248
Energy: 1.3617228184858763
Energy: 1.174778534326139
Energy: 1.3802479852323029
Energy: 1.1741391157207866
Energy: 1.3617832425722964
Energy: 1.1741391157207866
Energy: 1.3924249283304997
Energy: 1.2508761243307895
Energy: 1.1703846615713913
Energy: 1.2508761243307895
Energy: 1.5516067683455073
Energy: 1.1913727579443438
Energy: 1.1724010305775592
Energy: 1.1913727579460298

minimum gb energy = 1.1611421943529021 eV
minimum distance =  2.25975846130816 Angstroms
sigma value = 17


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

Energy: 1.7830408479458226
Energy: 1.550580996915817
Energy: 1.7265945407743077
Energy: 1.6817966428978166
Energy: 1.163009918048365
Energy: 1.2024007335310225
Energy: 1.452847392488186
Energy: 1.2024007335362326
Energy: 1.1663900837758587
Energy: 1.1613059813236744
Energy: 1.4647386665331856
Energy: 1.1613059813268
Energy: 1.1585388933962444
Energy: 1.1629744371184527
Energy: 1.471187441390118
Energy: 1.1629744371153268
Energy: 1.1637143360595654
Energy: 1.2327243345135057
Energy: 1.3133551661183964
Energy: 1.2327243345155896
Energy: 1.2210830301450424
Energy: 1.2046859408760633
Energy: 1.2506888462806907
Energy: 1.2046859408729373
Energy: 1.2298819647947659
Energy: 1.2058784722179041
Energy: 1.2215243542718548
Energy: 1.2058784722189462
Energy: 1.286930437655732
Energy: 1.207902934520465
Energy: 1.218496339413959
Energy: 1.207902934523591
Energy: 1.4517396194280434
Energy: 1.1628225792713216
Energy: 1.1560465202239372
Energy: 1.1628225792713216
Energy: 1.4056522382148577
Energy: 1.1654876169691017
Energy: 1.166467460518401
Energy: 1.1654876169649337
Energy: 1.501367443547383
Energy: 1.1625373131344163
Energy: 1.1598732585227765
Energy: 1.1625373131323322
Energy: 1.4687319423607832
Energy: 1.1997277317908954
Energy: 1.5046230578800521
Energy: 1.1997277317961055
Energy: 1.670018179020686
Energy: 1.1975262532648412
Energy: 1.5154650277265587
Energy: 1.1975262532585893
Energy: 1.36688265036257
Energy: 1.2784202958780073
Energy: 1.160349117724385
Energy: 1.2784202958811333
Energy: 1.4572728720398231
Energy: 1.16434872042304
Energy: 1.295977567458215
Energy: 1.1643487204250766
Energy: 1.6023126905476914
Energy: 1.1624125510425531
Energy: 1.2508826259151196
Energy: 1.1624125510446373
Energy: 1.1980918592822714
Energy: 1.1977161184244562
Energy: 1.3378347236662824
Energy: 1.1977161184192462
Energy: 1.1992957323168922
Energy: 1.2277738389932722
Energy: 1.2945285629640226
Energy: 1.227773838995356
Energy: 1.1954936917136358
Energy: 1.1986368163332197
Energy: 1.2952102816414603
Energy: 1.198636816332178
Energy: 1.2342641230008748
Energy: 1.2789490079301027
Energy: 1.4242236676664823
Energy: 1.2789490079311445
Energy: 1.1730438486751775
Energy: 1.1797306778003434
Energy: 1.4071999439778202
Energy: 1.1797306777993015
Energy: 1.175830880518444
Energy: 1.1809468909411494
Energy: 1.404412767599222
Energy: 1.1809468909463594
Energy: 1.177329369041848
Energy: 1.3101800261331882
Energy: 1.3093514309634504
Energy: 1.3101800261331882
Energy: 1.5157421219175413
Energy: 1.264416469297728
Energy: 1.3850811137150743
Energy: 1.2644164692185833
Energy: 1.5094451603115222
Energy: 1.1809347440455218
Energy: 1.3166479863818135
Energy: 1.1809347440465636
Energy: 1.3133531114997516
Energy: 1.1872821997931284
Energy: 1.3790599011831344
Energy: 1.1872821997910445
Energy: 1.4881580119196973
Energy: 1.467144342214093
Energy: 1.5813226046517124
Energy: 1.4671443422161772
Energy: 1.3275242223300454
Energy: 1.1808486765064345
Energy: 1.4270360267432125
Energy: 1.1808486765095605
Energy: 1.4052758912935488
Energy: 1.1810437534518534
Energy: 1.1778921311014443
Energy: 1.1810437534528955
Energy: 1.3610249831870593
Energy: 1.182077165537372
Energy: 1.1761539487681552
Energy: 1.1820771655300781
Energy: 1.3999562726623458
Energy: 1.1827766155991777
Energy: 1.17724915664153
Energy: 1.1827766155981356
Energy: 1.3389970348025353
Energy: 1.2029009026468616
Energy: 1.1876480805307708
Energy: 1.2029009026458197
Energy: 1.301947929478238
Energy: 1.2018983798594502
Energy: 1.194884560447154
Energy: 1.2018983798615344
Energy: 1.2938414221173853
Energy: 1.1971812269673106
Energy: 1.1918922129943288
Energy: 1.1971812269746043
Energy: 1.2497164951714632
Energy: 1.1616826318735372
Energy: 1.2802685440135064
Energy: 1.161682631828731
Energy: 1.2685465987568962
Energy: 1.2693498589210748
Energy: 1.523379233730499
Energy: 1.2693498589179486
Energy: 1.300924018713374
Energy: 1.1616594789677148
Energy: 1.4530654535278893
Energy: 1.1616594789625048
Energy: 1.4275192177387115
Energy: 1.2010395336295783
Energy: 1.4925711235712429
Energy: 1.2010395336243682

minimum gb energy = 1.1560465202239372 eV
minimum distance =  2.2364873568485 Angstroms
sigma value = 89


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

Energy: 2.0782031732572515
Energy: 1.2396537177546707
Energy: 1.3702501726555758
Energy: 1.366770412840335
Energy: 1.1297597995125348
Energy: 1.1327896731155196
Energy: 1.1267134902637135
Energy: 1.1327896731171614
Energy: 1.1281934877092903
Energy: 1.13144761527803
Energy: 1.2314478671482494
Energy: 1.1314476152785875
Energy: 1.1245448971430472
Energy: 1.1316653890730615
Energy: 1.231803892322551
Energy: 1.1316653890738673
Energy: 1.1237736486553322
Energy: 1.1550337604119858
Energy: 1.2495983293994055
Energy: 1.1550337604133492
Energy: 1.1827637974529175
Energy: 1.1394594369568611
Energy: 1.2409316733304967
Energy: 1.1394594369563344
Energy: 1.1875122318563762
Energy: 1.1381999687836555
Energy: 1.184066520988571
Energy: 1.1381999687836555
Energy: 1.2488997446590366
Energy: 1.1463328430929405
Energy: 1.1828464731397959
Energy: 1.1463328430910507
Energy: 1.2986885807960162
Energy: 1.132063157857893
Energy: 1.1209773767373004
Energy: 1.13206315785653
Energy: 1.3015843218412317
Energy: 1.131550240793486
Energy: 1.122804264364268
Energy: 1.1315502408128189
Energy: 1.3011010452853746
Energy: 1.1329703533770537
Energy: 1.128480697019752
Energy: 1.13297035337789
Energy: 1.390793838602066
Energy: 1.1306393866044697
Energy: 1.389907914859576
Energy: 1.1306393866028586
Energy: 1.4129586713387432
Energy: 1.1311680708008687
Energy: 1.389162312075011
Energy: 1.1311680707945793
Energy: 1.127800698912978
Energy: 1.2249509011941975
Energy: 1.1278728674956666
Energy: 1.2249509011923074
Energy: 1.130178206825924
Energy: 1.1316040385466135
Energy: 1.1273647386759877
Energy: 1.1316040385471713

minimum gb energy = 1.1209773767373004 eV
minimum distance =  2.25499546687816 Angstroms
sigma value = 13


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

Energy: 1.3004392670357896
Energy: 1.190760084830336
Energy: 1.3653831073780962
Energy: 1.3975203975173576
Energy: 1.0913669180912797
Energy: 1.102439443928236
Energy: 1.0978104777583322
Energy: 1.1024394439236649
Energy: 1.0970940819844834
Energy: 1.0992108299616012
Energy: 1.2713553801204474
Energy: 1.0992108299638867
Energy: 1.0935216888748265
Energy: 1.0986935021782838
Energy: 1.2675133562995984
Energy: 1.0986935021759983
Energy: 1.1014866371549854
Energy: 1.194011154849848
Energy: 1.1745505994431253
Energy: 1.1940111548487053
Energy: 1.2050279515993132
Energy: 1.0830088415463874
Energy: 1.1275626532411456
Energy: 1.0830088415452448
Energy: 1.202544362222253
Energy: 1.0821080508381995
Energy: 1.1147641720868668
Energy: 1.0821080508370569
Energy: 1.2448454390276171
Energy: 1.0845824803459638
Energy: 1.1199143783795062
Energy: 1.084582480350535
Energy: 1.2007469166526268
Energy: 1.0852775066487517
Energy: 1.1187525110488683
Energy: 1.0852775066487517
Energy: 1.2032408632233225
Energy: 1.0846417730489764
Energy: 1.112217883460352
Energy: 1.084641773050119
Energy: 1.1898093383129635
Energy: 1.089320576378979
Energy: 1.1787944587430907
Energy: 1.0893205763812646
Energy: 1.099013831637512
Energy: 1.0996037974917112
Energy: 1.2033969156812931
Energy: 1.0996037974917112
Energy: 1.0966780581930442
Energy: 1.0982339137410402
Energy: 1.20143600282727
Energy: 1.0982339137421828
Energy: 1.0970576024300067
Energy: 1.2474867942748515
Energy: 1.2039845525480548
Energy: 1.247486794282851
Energy: 1.4003423940320114
Energy: 1.1006876725359476
Energy: 1.096465627390621
Energy: 1.100687672534805
Energy: 1.4005543274243881
Energy: 1.0984651480128345
Energy: 1.096220505274069
Energy: 1.0984651480071725
Energy: 1.097822005827912
Energy: 1.10333977719873
Energy: 1.0971891823307705
Energy: 1.1033397771964448
Energy: 1.1003732649153701
Energy: 1.0992289664930255
Energy: 1.2665418321656716
Energy: 1.0992289664918828
Energy: 1.097463816741874
Energy: 1.0998583567589912
Energy: 1.0908884516311441
Energy: 1.0998583567601339
Energy: 1.2010445972528498
Energy: 1.1019434621316953
Energy: 1.1016472341675576
Energy: 1.101943462128267
Energy: 1.2676935577866755
Energy: 1.1474961674369553
Energy: 1.0955845585155595
Energy: 1.1474961674358124
Energy: 1.1754656143411375
Energy: 1.1944665255856513
Energy: 1.1018267427011836
Energy: 1.1944665255856513
Energy: 1.1765299618047202
Energy: 1.0839635951652675
Energy: 1.2010409570148781
Energy: 1.0839635951641249
Energy: 1.1172544320564148
Energy: 1.0840441341599683
Energy: 1.131227998127185
Energy: 1.0840441341588256
Energy: 1.1174346289859354
Energy: 1.0934785950433645
Energy: 1.194919737030939
Energy: 1.0934785950422217
Energy: 1.116446355271067
Energy: 1.088954319373636
Energy: 1.2541213300772567
Energy: 1.0889543193713505
Energy: 1.1138029767948443
Energy: 1.0857242795939739
Energy: 1.2038437437974594
Energy: 1.0857242795939739
Energy: 1.1769183575974163
Energy: 1.08654445805043
Energy: 1.1997929816007091
Energy: 1.0865444580492873
Energy: 1.1755003303633227
Energy: 1.1002286239187746
Energy: 1.099980575325742
Energy: 1.1002286239199173
Energy: 1.199608683027776
Energy: 1.099226746519146
Energy: 1.0996980040630369
Energy: 1.0992267465180035
Energy: 1.19977674818913
Energy: 1.1037176402093194
Energy: 1.0973159193258768
Energy: 1.103717640211605
Energy: 1.099963290676812
Energy: 1.0987200260165524
Energy: 1.1996995628033598
Energy: 1.098720026014267
Energy: 1.0971143904064244
Energy: 1.1071895841118906
Energy: 1.3994842979199649
Energy: 1.107189584092516
Energy: 1.0956873336237505
Energy: 1.1072397417515207
Energy: 1.0962682133887995
Energy: 1.1072397421307545
Energy: 1.0903282261216332
Energy: 1.098575399873545
Energy: 1.0974392462233737
Energy: 1.0985753998712595

minimum gb energy = 1.0821080508370569 eV
minimum distance =  2.26266505768757 Angstroms
sigma value = 37


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

Energy: 1.3186278798800761
Energy: 1.1307878216691094
Energy: 1.298455081682204
Energy: 1.3346002946889706
Energy: 1.041652862073379
Energy: 1.0592331842741676
Energy: 1.0557679666946092
Energy: 1.0592331842741676
Energy: 1.055294162915988
Energy: 1.0609128940332533
Energy: 1.266788234098706
Energy: 1.0609128940322703
Energy: 1.0529159364364877
Energy: 1.0602847334459244
Energy: 1.2669699834471413
Energy: 1.0602847334451426
Energy: 1.172581267131934
Energy: 1.1144614491944997
Energy: 1.1121532174559745
Energy: 1.1144614491940976
Energy: 1.2009374278366742
Energy: 1.027836446079757
Energy: 1.06012227648395
Energy: 1.027836446079176
Energy: 1.1271708892344632
Energy: 1.027411365708144
Energy: 1.0569795491577947
Energy: 1.0274113657085238
Energy: 1.1749838135486477
Energy: 1.013543544272949
Energy: 1.0654950294689376
Energy: 1.0135435442743117
Energy: 1.1015185884181946
Energy: 1.0070438890673439
Energy: 1.0999343484700574
Energy: 1.0070438890665618
Energy: 1.100094013091373
Energy: 1.0062535669782828
Energy: 1.1017904607911315
Energy: 1.0062535669786625
Energy: 1.1543223948985815
Energy: 1.101257246580159
Energy: 1.1752006958931198
Energy: 1.101257246578394
Energy: 1.0572388740632925
Energy: 1.0272936764421035
Energy: 1.2017305970522267
Energy: 1.0272936764423044
Energy: 1.0595372135032064
Energy: 1.027476531812674
Energy: 1.2015776127433784
Energy: 1.0274765318118921
Energy: 1.1126321425884733
Energy: 1.0487146438692596
Energy: 1.1719766764813675
Energy: 1.0487146438757609
Energy: 1.1945627277866901
Energy: 1.0597937678334861
Energy: 1.0541562106586335
Energy: 1.0597937678330842
Energy: 1.1197517660630645
Energy: 1.0603082941460136
Energy: 1.0551943103797494
Energy: 1.0603082941456337
Energy: 1.1848973118950894
Energy: 1.1129588218048985
Energy: 1.054877124940671
Energy: 1.1129588218068645
Energy: 1.055681010665046
Energy: 1.0551042107140773
Energy: 1.179219161644234
Energy: 1.0551042107138762
Energy: 1.0553419191926001
Energy: 1.060768194210684
Energy: 1.1795621168461234
Energy: 1.0607681942112646
Energy: 1.0550650931429693
Energy: 1.0592768990816965
Energy: 1.055178932559565
Energy: 1.0592768990795292

minimum gb energy = 1.0062535669782828 eV
minimum distance =  2.2606078635868 Angstroms
sigma value = 25


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

Energy: 1.304749790967165
Energy: 1.0406557532458298
Energy: 1.1774183045750901
Energy: 1.2002036152350588
Energy: 0.9696540786619481
Energy: 0.9816400591454986
Energy: 1.0214833317729652
Energy: 0.9816400591454986
Energy: 0.9839436640380103
Energy: 0.9895967241333755
Energy: 1.0601744078240887
Energy: 0.9895967241318403
Energy: 0.9835247247092782
Energy: 0.9885640622521932
Energy: 1.124329457208458
Energy: 0.988564062250658
Energy: 1.0192104399234063
Energy: 0.9804555142190285
Energy: 1.0220173446743952
Energy: 0.98045551422824
Energy: 1.1259660014945074
Energy: 0.9519197018074197
Energy: 0.9737550327201556
Energy: 0.951919701808955
Energy: 1.1260530253848648
Energy: 0.9523502579903652
Energy: 0.9727391630257883
Energy: 0.9523502579903652
Energy: 1.0573617073061485
Energy: 1.0615818112177844
Energy: 1.071530996054013
Energy: 1.0615818112177844
Energy: 0.9905715421996205
Energy: 0.9177862890549479
Energy: 1.0910605479512896
Energy: 0.9177862890564832
Energy: 0.9909493246077292
Energy: 0.9172959522645701
Energy: 1.0908041777497404
Energy: 0.9172959522661054
Energy: 1.0262138861298813
Energy: 1.07190773299972
Energy: 1.0640841622998711
Energy: 1.071907734244227
Energy: 1.0298296206261737
Energy: 0.9068183826854108
Energy: 1.0323859448737274
Energy: 0.9068183826854108
Energy: 1.030900335218504
Energy: 0.9092205274710053
Energy: 1.029470584111055
Energy: 0.9092205274710053
Energy: 1.064261360367655
Energy: 0.9604173912065501
Energy: 1.009473842838571
Energy: 0.9604173912142262
Energy: 1.0915162825243134
Energy: 0.9187386902362688
Energy: 0.9872535086367029
Energy: 0.9187386902347336
Energy: 1.0911140249522753
Energy: 0.916777194518969
Energy: 0.9899464613384328
Energy: 0.9167771945205041
Energy: 0.9892393827804906
Energy: 0.9571015882408022
Energy: 1.0576883463302553
Energy: 0.9571015882392668
Energy: 0.9714634482337939
Energy: 0.951878945624357
Energy: 1.0883824788343934
Energy: 0.951878945624357
Energy: 0.973821593203155
Energy: 0.9525890968921948
Energy: 1.1806271870394336
Energy: 0.9525890968921948
Energy: 1.0216081446315004
Energy: 0.9863485916266147
Energy: 1.1007094989678945
Energy: 0.9863485916266147
Energy: 1.1786219166915615
Energy: 1.011565226292863
Energy: 0.9837837085890744
Energy: 1.0115652262943982
Energy: 1.0216940160942958
Energy: 0.9895897983797605
Energy: 0.9837459467623301
Energy: 0.9895897983766899
Energy: 1.0214787215149577
Energy: 0.9892795527737255
Energy: 1.018118191157753
Energy: 0.9892795527737255
Energy: 0.9868603419795088
Energy: 0.9896130726523109
Energy: 1.1866347763462683
Energy: 0.9896130726523109
Energy: 0.9841872882766196
Energy: 0.9872803554956922
Energy: 0.984299764118049
Energy: 0.9872803554956922
Energy: 1.2253964553098606
Energy: 0.9885559345529897
Energy: 0.9839323198807745
Energy: 0.9885559345545251

minimum gb energy = 0.9068183826854108 eV
minimum distance =  2.27155203033299 Angstroms
sigma value = 41


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

Energy: 1.2489259886078352
Energy: 0.9670619700496187
Energy: 1.075474175933228
Energy: 1.094724262789198
Energy: 0.9062264251852499
Energy: 0.9127013330547055
Energy: 0.9042592999704404
Energy: 0.9127013330559642
Energy: 0.919118624974952
Energy: 0.9228381204913213
Energy: 0.9448613040829108
Energy: 0.92283812049258
Energy: 0.9191622179694734
Energy: 0.9225087291814502
Energy: 0.9524347112564614
Energy: 0.922508729182709
Energy: 0.9514057571481045
Energy: 0.9127634486072078
Energy: 0.9489829615236843
Energy: 0.9127634485820638
Energy: 0.9058638231311628
Energy: 0.8910188029849808
Energy: 0.9038483375088684
Energy: 0.8910188029849808
Energy: 0.9090390836984118
Energy: 0.8908122711902448
Energy: 0.9041981287779899
Energy: 0.8908122711915035
Energy: 0.9759972534832867
Energy: 0.930926161595634
Energy: 0.9315263393781489
Energy: 0.9309261615994099
Energy: 0.9098242627380579
Energy: 0.8552319492603458
Energy: 1.041801124435259
Energy: 0.8552319492641219
Energy: 0.9061135351083269
Energy: 0.8555606318960151
Energy: 1.0439776916122903
Energy: 0.8555606318909805
Energy: 0.9441683895516246
Energy: 0.9962508855414385
Energy: 0.9830190794272285
Energy: 0.9962508855376626
Energy: 1.0168443373435474
Energy: 0.8369881169629242
Energy: 0.9286830470311827
Energy: 0.8369881169604069
Energy: 0.9952982813810111
Energy: 0.839585563640843
Energy: 0.9352978962414008
Energy: 0.839585563640843
Energy: 0.9849857968220446
Energy: 0.8301943549743839
Energy: 0.9655947780069927
Energy: 0.8301943549706079
Energy: 0.9686588116210967
Energy: 0.8304395447314981
Energy: 0.9660406344193779
Energy: 0.8304395447340153
Energy: 0.970750828362001
Energy: 0.8359426491040095
Energy: 0.9683936777090905
Energy: 0.8359426491027508
Energy: 0.9444399312206793
Energy: 0.8387684140351184
Energy: 0.9846292185842052
Energy: 0.8387684140351184
Energy: 0.9334326494111008
Energy: 0.8372021062155671
Energy: 1.016553901431852
Energy: 0.8372021062118198
Energy: 0.9508354237796803
Energy: 0.8379090251186087
Energy: 1.0184615998863649
Energy: 0.83790902511735
Energy: 0.9789542589415579
Energy: 0.8558826250068975
Energy: 0.9347017098140417
Energy: 0.8558826250031215
Energy: 0.9312317808654763
Energy: 0.8557585128500668
Energy: 0.9071523707526131
Energy: 0.8557585128513253
Energy: 0.9287645181774966
Energy: 0.8582142099155089
Energy: 0.9382672716790331
Energy: 0.8582142099155089
Energy: 0.9147918295231406
Energy: 0.8905758418292024
Energy: 0.9763384696765776
Energy: 0.890575841830461
Energy: 0.906225930071435
Energy: 0.8907494015912047
Energy: 1.016310301616285
Energy: 0.8907494015886877
Energy: 0.9484091562213317
Energy: 0.8928650126758207
Energy: 0.9086086184413497
Energy: 0.8928650126770794
Energy: 0.9038469461077575
Energy: 0.9229108332142375
Energy: 0.9210930345436071
Energy: 0.9229108332104616
Energy: 0.9044051039556904
Energy: 0.9235639055681456
Energy: 0.9256529615673379
Energy: 0.9235639055668871
Energy: 0.9485375947716402
Energy: 1.0134051118353906
Energy: 0.9210278689137009
Energy: 1.0134051118353906
Energy: 0.9230064400810212
Energy: 0.9228870102600379
Energy: 0.9252698606095815
Energy: 0.9228870102587793
Energy: 0.9185606406326977
Energy: 0.9239666877254026
Energy: 0.9256041700380642
Energy: 0.9239666877254026
Energy: 0.9213329560381929
Energy: 0.9151787851545501
Energy: 0.9220376012839238
Energy: 0.9151787851331535
Energy: 0.8964937874707463
Energy: 0.9225851705389513
Energy: 0.9229976971155489
Energy: 0.922585170536434

minimum gb energy = 0.8301943549706079 eV
minimum distance =  2.2644035072104 Angstroms
sigma value = 15


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

Energy: 1.0341454867755135
Energy: 0.9471129917098692
Energy: 1.0347365450989245
Energy: 0.995033093480842
Energy: 0.8520412070686253
Energy: 0.8565611585479487
Energy: 0.8491801434430051
Energy: 0.8565611585926821
Energy: 0.8629672413243809
Energy: 0.8671316343884673
Energy: 0.843336246585609
Energy: 0.8671316343852684
Energy: 0.8688909779580992
Energy: 0.8666516059047785
Energy: 0.8910188466892056
Energy: 0.8666516059058448
Energy: 0.8735225347765345
Energy: 0.8571644414351661
Energy: 0.850560215746627
Energy: 0.8571644411782999
Energy: 0.8917645314538306
Energy: 0.837427932639241
Energy: 0.8476479213504915
Energy: 0.8374279326413735
Energy: 0.878763095901161
Energy: 0.8378407292416168
Energy: 0.8519428657140107
Energy: 0.8378407292394844
Energy: 0.8746152624128694
Energy: 0.8968965821025618
Energy: 0.8700388982877627
Energy: 0.8968965821078931
Energy: 0.850499961849664
Energy: 0.8059131312491944
Energy: 0.8711067787926526
Energy: 0.8059131312534593
Energy: 0.8548161728335496
Energy: 0.80535605178265
Energy: 0.9651064574530693
Energy: 0.8053560517794514
Energy: 0.8780743466095653
Energy: 0.8784605189405894
Energy: 0.9029290946039279
Energy: 0.8784605189405894
Energy: 0.9775782557303451
Energy: 0.7849788711450297
Energy: 0.8574315240759476
Energy: 0.7849788711439636
Energy: 0.9497067024377654
Energy: 0.787276696688473
Energy: 0.864779834773244
Energy: 0.7872766966916716
Energy: 0.9169731659343852
Energy: 0.7735824021496577
Energy: 0.8889350385012444
Energy: 0.7735824021496577
Energy: 0.8833007079833534
Energy: 0.7744653381592914
Energy: 0.9548658013343351
Energy: 0.7744653381635564
Energy: 0.8867411224466757
Energy: 0.7769212861136495
Energy: 0.9151917114050837
Energy: 0.7769212861179147
Energy: 0.9193347188669615
Energy: 0.7792644457761161
Energy: 0.9155800064404336
Energy: 0.7792644457761161
Energy: 0.9128353915496265
Energy: 0.769703124665101
Energy: 0.920792846030062
Energy: 0.7697031246661673
Energy: 0.916074046957246
Energy: 0.7776546754006136
Energy: 0.9188880175399122
Energy: 0.7776546754016798
Energy: 0.9159905666257893
Energy: 0.7783564370153206
Energy: 0.8917649508990535
Energy: 0.7783564370121221
Energy: 0.9565867311104095
Energy: 0.7740135632529437
Energy: 0.8843292253000945
Energy: 0.7740135632518774
Energy: 0.9557970845603908
Energy: 0.7741615997974929
Energy: 0.9158066982742106
Energy: 0.7741615998028238
Energy: 0.8736061826438315
Energy: 0.7856479796579479
Energy: 0.9098380817359448
Energy: 0.7856479796568816
Energy: 0.8574895496588536
Energy: 0.7847126655177461
Energy: 0.9407509341631153
Energy: 0.7847126655188122
Energy: 0.9029900177192911
Energy: 0.9157519737930591
Energy: 0.8785779926330282
Energy: 0.9157519737909751
Energy: 0.9034617682633792
Energy: 0.8061366539408084
Energy: 0.8514351041014535
Energy: 0.8061366539397421
Energy: 0.941331817317454
Energy: 0.8056764036441005
Energy: 0.849788333969062
Energy: 0.8056764036483655
Energy: 0.8738923591087062
Energy: 0.8949769084454064
Energy: 0.8770479020331027
Energy: 0.8949769083952932
Energy: 0.847674597720642
Energy: 0.8374090136120602
Energy: 0.8835241738587496
Energy: 0.8374090136205901
Energy: 0.848253213903929
Energy: 0.83747661826859
Energy: 0.8824282831156363
Energy: 0.8374766182675237
Energy: 0.8479996208868446
Energy: 0.8786405282099723
Energy: 0.8939943095151791
Energy: 0.8786405282110384
Energy: 0.8897563912055713
Energy: 0.8658496214056907
Energy: 0.8614367142815771
Energy: 0.8658496214056907
Energy: 0.8674799320088799
Energy: 0.8660194787462303
Energy: 0.8740656886444359
Energy: 0.8660194787493805
Energy: 0.8489173393454419
Energy: 0.8557009124622071
Energy: 0.868826446390778
Energy: 0.8557009124579422
Energy: 0.9948414464390226
Energy: 0.8684577631756976
Energy: 0.8660484031057528
Energy: 0.8684577631735652
Energy: 0.8627187655391023
Energy: 0.869126455150972
Energy: 0.8485982146472597
Energy: 0.8691264551552368
Energy: 0.84051803181426
Energy: 0.8678417695001714
Energy: 0.8626043809202147
Energy: 0.8678417695044363

minimum gb energy = 0.769703124665101 eV
minimum distance =  2.27101560513125 Angstroms
sigma value = 85


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

Energy: 1.1068925225835213
Energy: 0.7828444087384258
Energy: 0.8819360348321074
Energy: 0.894897465131925
Energy: 0.7493784905058138
Energy: 0.760056220606142
Energy: 0.7903184013794338
Energy: 0.760056220602443
Energy: 0.7618221038871097
Energy: 0.7636774417541977
Energy: 0.794254720088383
Energy: 0.7636774417532731
Energy: 0.7623001470827805
Energy: 0.7635067226330577
Energy: 0.7708645353565273
Energy: 0.7635067226293586
Energy: 0.7898452755886141
Energy: 0.7891070812358767
Energy: 0.7901956316080522
Energy: 0.7891070812266291
Energy: 0.7487208957427882
Energy: 0.7454326168396315
Energy: 0.7579697508025929
Energy: 0.7454326168414809
Energy: 0.7476376032795526
Energy: 0.7457204857579915
Energy: 0.758138243501103
Energy: 0.7457204857561422
Energy: 0.8182751687184899
Energy: 0.7911495447752007
Energy: 0.75887136574247
Energy: 0.7911495448010728
Energy: 0.7642046978018793
Energy: 0.7252626240676266
Energy: 0.7570110769640782
Energy: 0.7252626240657771
Energy: 0.7641235201703599
Energy: 0.7248340784618215
Energy: 0.7535708299566275
Energy: 0.7248340784645957
Energy: 0.7854427151989012
Energy: 0.8216044918658894
Energy: 0.8183377191598532
Energy: 0.8216044918677389
Energy: 0.9406436662406816
Energy: 0.7134648497644016
Energy: 0.7806842008564562
Energy: 0.7134648497653263
Energy: 0.8310553245314709
Energy: 0.714811178091611
Energy: 0.7956618091061556
Energy: 0.7148111780897616
Energy: 0.8301006059077921
Energy: 0.7086883907624089
Energy: 0.8072834116091646
Energy: 0.7086883907633336
Energy: 0.805117525183087
Energy: 0.7081165906805481
Energy: 0.9064336179743112
Energy: 0.7081165906805481
Energy: 0.817644496413468
Energy: 0.7093727786392328
Energy: 0.8415733907547184
Energy: 0.7093727786410821
Energy: 0.8907117965948395
Energy: 0.7072613010628727
Energy: 0.8420999643688689
Energy: 0.707261301061948
Energy: 0.8911906990222475
Energy: 0.7056694231009456
Energy: 0.8307181827456237
Energy: 0.705669423102795
Energy: 0.8469197053678222
Energy: 0.7060173043973431
Energy: 0.8400596757665204
Energy: 0.7060173043954937
Energy: 0.8467610227658743
Energy: 0.7062532155121304
Energy: 0.865574795606875
Energy: 0.7062532155112058
Energy: 0.8593847118759141
Energy: 0.70760708558988
Energy: 0.8600495244058011
Energy: 0.70760708558988
Energy: 0.8315486512624497
Energy: 0.7050537676614592
Energy: 0.8470818928874613
Energy: 0.7050537676605344
Energy: 0.8357275118794465
Energy: 0.7058868923628522
Energy: 0.8529969829556523
Energy: 0.7058868923637769
Energy: 0.8318716858667667
Energy: 0.7061497994082354
Energy: 0.8910582443005056
Energy: 0.7061497994063859
Energy: 0.8422468514340761
Energy: 0.8723532204500241
Energy: 0.8224876652884228
Energy: 0.8723532204481744
Energy: 0.9117236178702812
Energy: 0.7085123313811581
Energy: 0.8062625251400019
Energy: 0.7085123313830075
Energy: 0.8675828568704728
Energy: 0.7085077248498394
Energy: 0.8036463581756079
Energy: 0.7085077248498394
Energy: 0.8059363532043033
Energy: 0.8055113234474165
Energy: 0.8302328724481088
Energy: 0.8055113234511153
Energy: 0.7836805627531575
Energy: 0.7133786631510594
Energy: 0.7715980997836873
Energy: 0.7133786631492308
Energy: 0.7806908205008162
Energy: 0.7144005310818811
Energy: 0.7668050827250562
Energy: 0.7144005310837306
Energy: 0.8188697905598574
Energy: 0.7668389870226738
Energy: 0.7670520785076095
Energy: 0.7668389870226738
Energy: 0.8451363851559482
Energy: 0.7243725097330429
Energy: 0.7692065482259762
Energy: 0.7243725097330429
Energy: 0.7625227163987787
Energy: 0.7261130671716904
Energy: 0.7644051917829372
Energy: 0.7261130671716904
Energy: 0.7586519943473256
Energy: 0.7588993133830476
Energy: 0.8181912102036122
Energy: 0.7588993133802944
Energy: 0.7640512610240617
Energy: 0.7447411367688775
Energy: 0.7796949918910153
Energy: 0.7447411367670281
Energy: 0.7589097665538884
Energy: 0.7473801194152644
Energy: 0.7896612490041749
Energy: 0.7473801194161892
Energy: 0.7770127668161446
Energy: 0.7929078597826703
Energy: 0.7893574712188622
Energy: 0.7929078597808208
Energy: 0.7745961505968278
Energy: 0.7624181026184531
Energy: 0.7637454492883379
Energy: 0.7624181026193779
Energy: 0.7911652620923926
Energy: 0.7645507944382621
Energy: 0.7620991854336087
Energy: 0.7645507944419612
Energy: 0.790241925360394
Energy: 0.7611906680711228
Energy: 0.8152435102026768
Energy: 0.7611906680711228
Energy: 0.7620235786264075
Energy: 0.7630746713802707
Energy: 0.7801429764841536
Energy: 0.7630746713784421
Energy: 0.7619157937467542
Energy: 0.7634524603991459
Energy: 0.7620189598281879
Energy: 0.7634524603954471
Energy: 0.7874116932361709
Energy: 0.762706329144871
Energy: 0.7620795327500158
Energy: 0.7627063291439462

minimum gb energy = 0.7050537676605344 eV
minimum distance =  2.26978101005469 Angstroms
sigma value = 113


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

Energy: 0.014416823258167528
Energy: 0.014553349381777743
Energy: 0.8608646346795743
Energy: 0.10389575544866572
Energy: 0.015224076513847346
Energy: 0.10489352544098722
Energy: 0.09389524371802879
Energy: 0.10489352544098722
Energy: 0.09047552855180699
Energy: 0.10475822708904096
Energy: 0.015065467155940074
Energy: 0.10475822708904096
Energy: 0.09020309996302953
Energy: 0.10596944571736877
Energy: 0.01656994294165577
Energy: 0.10596944571598646
Energy: 0.09191198849511419
Energy: 0.10394341631674847
Energy: 0.09164136436497261
Energy: 0.10394341632646412
Energy: 0.015111086008115792
Energy: 0.10539176418548346
Energy: 0.0901391588505578
Energy: 0.10539176418615487

minimum gb energy = 0.014416823258167528 eV
minimum distance =  2.44470047245186 Angstroms
sigma value = 1