Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.700485944747925
cohesive_energy=1.5099470904077228
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=[0.0, 0.0, 0.0, 1.2728428181747639e-21, 1.63434834081072e-20, 4.32538023704346e-20, 7.298891895616739e-20, 1.004782645540224e-19, 1.240611830828586e-19, 1.44007641305505e-19, 1.6121421726634797e-19, 1.7607921207659998e-19, 1.8886938814582198e-19, 1.9981545890930998e-19, 2.0912090079958196e-19, 2.16961953246378e-19, 2.23494027383196e-19, 2.2884689951739e-19, 2.33142335073144e-19, 2.36478066825132e-19, 2.38947021018126e-19, 2.4062930648382596e-19, 2.4159221464085997e-19, 2.4190143473122197e-19, 2.41577795051154e-19, 2.4055240200539395e-19, 2.3872912499590197e-19, 2.36003822541468e-19, 2.3225152486463997e-19, 2.27331240421626e-19, 2.21081149372392e-19, 2.1331379705075997e-19, 2.0381128743450597e-19, 1.9262008364601598e-19, 1.79914822938396e-19, 1.64610831730428e-19, 1.4486945211693358e-19, 1.182217299049188e-19, 8.148093576935759e-20, 3.0679119058485596e-20, -3.89493946255302e-20, -1.3286001672145977e-19, -2.56862560139514e-19, -4.1709464312921995e-19, -6.20744110723692e-19, -8.75403677991456e-19, -1.172642691484404e-18, -1.5108173179760517e-18, -1.9959115418054996e-18, -2.7860409706289398e-18, -4.12257671871174e-18, -6.5199136161659396e-18, -1.120921225385616e-17, -2.13579758372004e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.00555727486299597
Energy: 0.09930029569376918
Energy: 0.8897541700962155
Energy: 0.005793542615588071
Energy: 0.09930029569376918
Energy: 1.1835644066225546
Energy: 0.005793542615588071
Energy: 1.1835644066225546
Energy: 0.8897541700962155
Energy: 0.005793542615588071
Energy: 0.00555727486299597
Energy: 0.09930029569376918
Energy: 0.005793542615588071
Energy: 1.1835644066225546
Energy: 0.09930029569376918
Energy: 1.1835644066225546

minimum gb energy = 0.00555727486299597 eV
minimum distance =  2.61274853977491 Angstroms
sigma value = 1


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

Energy: 1.591453474660996
Energy: 0.9305811198633323
Energy: 0.9290447124902975
Energy: 0.891528850694456
Energy: 0.9350457468466312
Energy: 1.0333320700033057
Energy: 0.9669905609910914
Energy: 1.0333320700040316
Energy: 0.9281877257415129
Energy: 0.9291421297148201
Energy: 1.7125362619153877
Energy: 0.9291421297148201
Energy: 0.9400358879766895
Energy: 1.053413254886583
Energy: 0.9117192845214929
Energy: 1.0534132548858572
Energy: 1.4858201862003384
Energy: 1.0156585100953337
Energy: 0.9512422137110972
Energy: 1.0156585101185638
Energy: 0.9870936433118059
Energy: 0.9528483374315773
Energy: 0.9910225892127543
Energy: 0.9528483374293996
Energy: 1.0427674387872372
Energy: 1.1250974953121766
Energy: 1.4857898389740225
Energy: 1.1250974953121766
Energy: 1.0169883193691347
Energy: 1.0467225242208256
Energy: 1.0029390566252268
Energy: 1.0467225242244553
Energy: 1.285504287755609
Energy: 1.1400964858958291
Energy: 1.041660337661121
Energy: 1.1400964858958291
Energy: 1.007729964803675
Energy: 1.1230252131331588
Energy: 1.0053946433147678
Energy: 1.123025213227498
Energy: 1.0058982031331953
Energy: 1.1411686206954603
Energy: 1.286147948750061
Energy: 1.1411686206947342
Energy: 1.017613410744572
Energy: 1.1141259443466376
Energy: 1.0031343915551647
Energy: 1.1141259443444596
Energy: 1.1117377742902095
Energy: 1.1336333577883448
Energy: 1.006720491613456
Energy: 1.1336333577883448
Energy: 1.016849794789751
Energy: 1.1277050197424883
Energy: 1.0163751042083593
Energy: 1.1277050197424883
Energy: 1.0075451979847547
Energy: 1.0043342829327624
Energy: 0.9605194592572339
Energy: 1.0043342829327624
Energy: 0.9736662791181379
Energy: 1.0054558881142122
Energy: 0.963961416869657
Energy: 1.0054558881047748
Energy: 0.9589040629959988
Energy: 0.9290978337662419
Energy: 0.9526502673422598
Energy: 0.9290978337662419
Energy: 0.9341410826881305
Energy: 0.9406752376019968
Energy: 1.0053415296007955
Energy: 0.9406752376034486
Energy: 1.340133953203865
Energy: 0.9298238755269063
Energy: 0.9311484534863719
Energy: 0.9298238755269063
Energy: 0.987207127197896
Energy: 0.9401663959514378
Energy: 0.9655752126198496
Energy: 0.9401663960152874
Energy: 0.9515498395680555
Energy: 1.0152474136581044
Energy: 1.4867297156431978
Energy: 1.0152474136588305
Energy: 0.9914707378255198
Energy: 1.0356809685790636
Energy: 0.9629217666584018
Energy: 1.0356809685790636
Energy: 1.4859186540326397
Energy: 1.1249421662092396
Energy: 1.039647300449258
Energy: 1.1249421662092396
Energy: 1.0032970344081737
Energy: 1.1252959901217703
Energy: 1.0173864602128924
Energy: 1.1252959901297555
Energy: 1.0423083866083342
Energy: 1.1405453420629847
Energy: 1.2856121917072132
Energy: 1.1405453420629847
Energy: 1.0081915763195621
Energy: 1.1416136435136872
Energy: 1.0080381695421838
Energy: 1.1416136435136872
Energy: 1.2858224315702595
Energy: 1.1409954607345532
Energy: 1.006646606223689
Energy: 1.1409954607345532
Energy: 1.003142424869293
Energy: 1.1447485240405284
Energy: 1.007762139066208
Energy: 1.1447485240419804
Energy: 1.0073837004070836
Energy: 1.133843886069327
Energy: 1.1113230784151908
Energy: 1.1338438860664233
Energy: 1.0165666383564818
Energy: 1.1257005682565484
Energy: 1.0158251768927677
Energy: 1.1257005682565484
Energy: 0.9603075572653164
Energy: 1.00422542852666
Energy: 1.0072621912792212
Energy: 1.00422542852666
Energy: 0.9640820384183567
Energy: 1.0049857241005482
Energy: 1.0131827439193093
Energy: 1.0049857240998221
Energy: 0.9510799832240086
Energy: 0.9313199499940811
Energy: 0.9601030247304914
Energy: 0.9313199500289095

minimum gb energy = 0.891528850694456 eV
minimum distance =  2.32777599717073 Angstroms
sigma value = 1


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

Energy: 1.7769497184770702
Energy: 0.9714566104010138
Energy: 0.9845390544516044
Energy: 0.9451196311925724
Energy: 0.9946454378683046
Energy: 1.0680461762501057
Energy: 1.029316242287987
Energy: 1.0680461762509332
Energy: 0.9834382351565701
Energy: 0.9838322702170716
Energy: 1.6477312252855612
Energy: 0.9838322702162441
Energy: 1.0240057931061437
Energy: 1.139995502259514
Energy: 1.0291741015791376
Energy: 1.1399955022603416
Energy: 1.6481466636421604
Energy: 1.0827870313275658
Energy: 1.010347282354086
Energy: 1.0827870313292216
Energy: 1.0869733141684743
Energy: 1.0430684920926174
Energy: 1.0560624737892026
Energy: 1.0430684920917899
Energy: 1.1178190799070347
Energy: 1.2078113722335702
Energy: 1.4055992654131662
Energy: 1.2078113722327426
Energy: 1.0894332156569038
Energy: 1.1593858202982148
Energy: 1.0751229443249992
Energy: 1.1593858202915932
Energy: 1.4085752729838774
Energy: 1.2209186442623992
Energy: 1.1502028362746501
Energy: 1.2209186442623992
Energy: 1.07488641913943
Energy: 1.191298024076073
Energy: 1.0913568386885746
Energy: 1.1912980240487592
Energy: 1.0790824041974885
Energy: 1.2138442279963952
Energy: 1.198853551588294
Energy: 1.2138442279963952
Energy: 1.0863477349683046
Energy: 1.1990740432336302
Energy: 1.086261400668918
Energy: 1.1990740432336302
Energy: 1.0223622017691663
Energy: 1.0722065409085542
Energy: 1.0794445645614956
Energy: 1.0722065409077266
Energy: 1.026788139177284
Energy: 1.072957157815501
Energy: 1.037310207362848
Energy: 1.0729571578163288
Energy: 1.0097819930901637
Energy: 0.9616301037019034
Energy: 0.9833731420126061
Energy: 0.9616301037027312
Energy: 1.0725638716387955
Energy: 0.9950803169649515
Energy: 1.0297127724426902
Energy: 0.9950803169666068
Energy: 0.9839338115949707
Energy: 1.105220715210376
Energy: 1.300148249335828
Energy: 1.1052207152112037
Energy: 0.9948801820687917
Energy: 0.9907629649641192
Energy: 1.0577364502884345
Energy: 0.9907629649632915
Energy: 1.3406798089461667
Energy: 1.0820818243298949
Energy: 1.0113989583129883
Energy: 1.0820818243340333
Energy: 1.0866072231594162
Energy: 1.1058428971456027
Energy: 1.0565009463061483
Energy: 1.1058428971456027
Energy: 1.1156786617190764
Energy: 1.2076021547080742
Energy: 1.4059792081533247
Energy: 1.2076021547089015
Energy: 1.0806620177245227
Energy: 1.2076529529475182
Energy: 1.0749462397314222
Energy: 1.2076529529483457
Energy: 1.408292093434915
Energy: 1.2210311177857756
Energy: 1.1500010577905746
Energy: 1.2210311177849478
Energy: 1.075094880363644
Energy: 1.2241365239955186
Energy: 1.0826549672188757
Energy: 1.2241365239963462
Energy: 1.0798912506903096
Energy: 1.213924970687751
Energy: 1.19822355737908
Energy: 1.2139249706976836
Energy: 1.0878405099472974
Energy: 1.2086833181762122
Energy: 1.0863690821759504
Energy: 1.2086833181753847
Energy: 1.0241088046172604
Energy: 1.0721110153890212
Energy: 1.0803516699986584
Energy: 1.0721110153898492
Energy: 1.026710136546745
Energy: 1.0830347691003244
Energy: 1.0375558417052706
Energy: 1.0830347691003244
Energy: 1.008769845384218
Energy: 0.9649917013054512
Energy: 0.9888923591339207
Energy: 0.9649917013129004

minimum gb energy = 0.9451196311925724 eV
minimum distance =  2.32174425893086 Angstroms
sigma value = 25


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

Energy: 1.699605563531366
Energy: 1.0402781848903415
Energy: 1.0520989559487595
Energy: 1.0089916952590359
Energy: 1.02886524432605
Energy: 1.0216381746642567
Energy: 1.1062237684626728
Energy: 1.021638175814421
Energy: 1.051697742926641
Energy: 1.0496082065513268
Energy: 1.5628502789339342
Energy: 1.0496082065516221
Energy: 1.1625670484912072
Energy: 1.1419140920087891
Energy: 1.1061166823730917
Energy: 1.1419140920089748
Energy: 1.562390702291769
Energy: 1.161250380360635
Energy: 1.0833875379191515
Energy: 1.1612503803629421
Energy: 1.172296568026474
Energy: 1.119952519589264
Energy: 1.1336187865953222
Energy: 1.1199525196749522
Energy: 1.2159788543398264
Energy: 1.3020551685798563
Energy: 1.3065712295545466
Energy: 1.3020551685796704
Energy: 1.1664817050413419
Energy: 1.315241692689707
Energy: 1.1546953849814936
Energy: 1.3152416926863397
Energy: 1.3084276308345764
Energy: 1.30381811686914
Energy: 1.2655988045742261
Energy: 1.30381811686914
Energy: 1.1725947047775753
Energy: 1.2881198418474618
Energy: 1.1899703104676067
Energy: 1.2881198418478446
Energy: 1.0772811116275374
Energy: 1.1526277030096173
Energy: 1.0958610250491057
Energy: 1.1526277030095187
Energy: 1.121246725013264
Energy: 1.153894127808445
Energy: 1.106770784292463
Energy: 1.1538941278085435
Energy: 1.0493818824916505
Energy: 1.0215885381692313
Energy: 1.0792314299286168
Energy: 1.0215885382102006
Energy: 1.1067533200097708
Energy: 1.0221440651930769
Energy: 1.15463655476627
Energy: 1.0221440651930769
Energy: 1.2933593923027475
Energy: 1.1853796779820476
Energy: 1.0521035005868278
Energy: 1.185379677982146
Energy: 1.1389142880953016
Energy: 1.0216396207878602
Energy: 1.023253554698505
Energy: 1.021639620787762
Energy: 1.0814635122748564
Energy: 1.1610335199315904
Energy: 1.5631069379178377
Energy: 1.1610335198534025
Energy: 1.120813646196092
Energy: 1.1534559092007806
Energy: 1.1720523697600684
Energy: 1.1534559091969316
Energy: 1.3072245322314722
Energy: 1.3021281513286944
Energy: 1.2153844463764034
Energy: 1.3021281513434113
Energy: 1.1520413909810951
Energy: 1.3149797133710732
Energy: 1.1670487562952399
Energy: 1.3149797133709857
Energy: 1.1502436451592721
Energy: 1.303924910959768
Energy: 1.308337465360457
Energy: 1.3039249109599644
Energy: 1.1643596608895592
Energy: 1.3038539700636962
Energy: 1.1727941177456342
Energy: 1.3038539700635974
Energy: 1.095551438486852
Energy: 1.1530110582477917
Energy: 1.077308230123981
Energy: 1.1530110582476931
Energy: 1.1063714203584583
Energy: 1.162327851009452
Energy: 1.0773184081213192
Energy: 1.1623278510095507
Energy: 1.079749287730869
Energy: 1.021897946232019
Energy: 1.0502074349758728
Energy: 1.0218979462322049

minimum gb energy = 1.0089916952590359 eV
minimum distance =  2.32587484087398 Angstroms
sigma value = 9


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

Energy: 1.593342531192458
Energy: 1.1158509330613846
Energy: 1.1216970904085923
Energy: 1.0691115859806504
Energy: 1.1014766635971731
Energy: 1.0896252976899126
Energy: 1.1947375090460224
Energy: 1.0896252976848648
Energy: 1.1216748952110425
Energy: 1.1216220999284765
Energy: 1.7867248824600757
Energy: 1.1216220999281374
Energy: 1.089481217883959
Energy: 1.178107225531238
Energy: 1.2175886950560166
Energy: 1.1781072255314726
Energy: 1.4454826687219093
Energy: 1.2561745200890537
Energy: 1.1644490139494992
Energy: 1.2561745200894059
Energy: 1.2677807890902841
Energy: 1.1642377756320306
Energy: 1.1644821926426059
Energy: 1.1642377756630085
Energy: 1.2661313598935677
Energy: 1.4239543756421527
Energy: 1.2996371681038532
Energy: 1.423954375642609
Energy: 1.2968099667280386
Energy: 1.3690536128435538
Energy: 1.29910031037206
Energy: 1.3690536128428623
Energy: 1.1641601534705148
Energy: 1.2448183257797174
Energy: 1.3010783082282658
Energy: 1.244818325779952
Energy: 1.1950557986602726
Energy: 1.3644775574824126
Energy: 1.277279967506043
Energy: 1.3644775574781605
Energy: 1.1677729396270191
Energy: 1.0897767429683738
Energy: 1.1213225597881966
Energy: 1.0897767429680345
Energy: 1.2121157721096827
Energy: 1.0905276088075957
Energy: 1.1010036184339318
Energy: 1.0905276088073608
Energy: 1.1214984030912756
Energy: 1.2846653904763985
Energy: 1.1981392235123522
Energy: 1.2846653904758247
Energy: 1.1377426085997975
Energy: 1.0890294398087461
Energy: 1.2562361029979243
Energy: 1.0890294398092024
Energy: 1.4456030161886957
Energy: 1.2559664706438678
Energy: 1.1644791711762494
Energy: 1.255966470645133
Energy: 1.267722782033848
Energy: 1.1645078883230993
Energy: 1.1645671679768814
Energy: 1.1645078883224078
Energy: 1.266438466553403
Energy: 1.4178494386211606
Energy: 1.449516705266395
Energy: 1.4178494386208085
Energy: 1.2658526895345399
Energy: 1.4188512402041464
Energy: 1.2800353789693206
Energy: 1.4188512402056463
Energy: 1.1787754828369137
Energy: 1.2451111895114806
Energy: 1.301241601726572
Energy: 1.2451111895114806
Energy: 1.195176359651349
Energy: 1.2555120978490173
Energy: 1.3011706030470005
Energy: 1.2555120978491345
Energy: 1.1683059222852814
Energy: 1.0896288756582042
Energy: 1.0911656221499284
Energy: 1.0896288756585433

minimum gb energy = 1.0691115859806504 eV
minimum distance =  2.31647493358718 Angstroms
sigma value = 25


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

Energy: 1.4423946423000646
Energy: 1.1975409465151123
Energy: 1.1977123886888332
Energy: 1.1468734536546215
Energy: 1.2017501355260756
Energy: 1.1889748747588411
Energy: 1.2968648056303278
Energy: 1.1889748747588411
Energy: 1.2084704212669004
Energy: 1.1974798394290425
Energy: 1.6568971144294422
Energy: 1.1974798394288975
Energy: 1.1884165700793943
Energy: 1.223155895504122
Energy: 1.1636148006232576
Energy: 1.223155895504396
Energy: 1.2890398137638879
Energy: 1.3514679691337692
Energy: 1.2657002304484004
Energy: 1.3514679691261073
Energy: 1.2854667681885845
Energy: 1.3509809907434398
Energy: 1.163678604825084
Energy: 1.3509809907434398
Energy: 1.3892627406222742
Energy: 1.3442474539931035
Energy: 1.265846602867476
Energy: 1.3442474539932485
Energy: 1.3900486189721066
Energy: 1.3381320887782728
Energy: 1.2962210051473304
Energy: 1.338132088778547
Energy: 1.1853987509971091
Energy: 1.1859847557729937
Energy: 1.3189395951523575
Energy: 1.1859847557745584
Energy: 1.201921531915759
Energy: 1.1860503612043656
Energy: 1.3781393433058946
Energy: 1.1860503612043656
Energy: 1.382535795451362
Energy: 1.3876092306933634
Energy: 1.207970619898155
Energy: 1.3876092306932182
Energy: 1.3900791060050004
Energy: 1.1887691096629234
Energy: 1.1885867805761088
Energy: 1.1887691096629234
Energy: 1.2709391590780097
Energy: 1.3511959083002414
Energy: 1.2890655058906486
Energy: 1.3511959082304281
Energy: 1.2655799668764782
Energy: 1.3447638981105385
Energy: 1.4322957317357954
Energy: 1.3447638980989085
Energy: 1.290247808260821
Energy: 1.3455752778942969
Energy: 1.3891484344516538
Energy: 1.3455752778942969
Energy: 1.2959824091297438
Energy: 1.3514955852625627
Energy: 1.3889434862068029
Energy: 1.351495585264692
Energy: 1.318311211070275
Energy: 1.1889083226485038
Energy: 1.1862540870891425
Energy: 1.1889083226448256

minimum gb energy = 1.1468734536546215 eV
minimum distance =  2.3222849564624 Angstroms
sigma value = 17


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

Energy: 1.8077740855424025
Energy: 1.292811903066225
Energy: 1.3043521245479148
Energy: 1.2551064339819968
Energy: 1.354103206375418
Energy: 1.1970944548874716
Energy: 1.300793162347417
Energy: 1.197094453546314
Energy: 1.2267741429565548
Energy: 1.214935144838973
Energy: 1.6814926651812507
Energy: 1.214935144838973
Energy: 1.1972335784001942
Energy: 1.1975532485907976
Energy: 1.3415598339984134
Energy: 1.1975532471427537
Energy: 1.4359415749389939
Energy: 1.4899233142984234
Energy: 1.3414414355819095
Energy: 1.4899233142984234
Energy: 1.4965017325090813
Energy: 1.4899806011466605
Energy: 1.1972258608308481
Energy: 1.4899806011450527
Energy: 1.5243458941437056
Energy: 1.1968231844212662
Energy: 1.197012052837978
Energy: 1.1968231844477775
Energy: 1.320324492274098
Energy: 1.1969527675398546
Energy: 1.2314970871554816
Energy: 1.196952764890482
Energy: 1.2995367187138192
Energy: 1.287058043630873
Energy: 1.4929897045091929
Energy: 1.2870580436316768
Energy: 1.26979562759574
Energy: 1.2701011071313535
Energy: 1.391472117926217
Energy: 1.2701011071313535
Energy: 1.4540511625722552
Energy: 1.414232369709936
Energy: 1.2593700405324029
Energy: 1.4142323696994847
Energy: 1.501080038659299
Energy: 1.2608591494868742
Energy: 1.260733633509235
Energy: 1.2608591494290091
Energy: 1.4531836135665805
Energy: 1.2601821768063508
Energy: 1.2669229470807561
Energy: 1.2601821766858161
Energy: 1.4532719633210052
Energy: 1.4532594293892898
Energy: 1.2930485053418364
Energy: 1.4532594293892898
Energy: 1.2691397281948724
Energy: 1.2547238066645439
Energy: 1.3232458967868241
Energy: 1.2547238066637583
Energy: 1.2865110317655917
Energy: 1.25438768972723
Energy: 1.3226109860645483
Energy: 1.2543876897224062
Energy: 1.3929087263206608
Energy: 1.197414221485248
Energy: 1.2315540090670383
Energy: 1.197414221485248
Energy: 1.3932825519137153
Energy: 1.1969768861784036
Energy: 1.196563337606747
Energy: 1.1969768861936783
Energy: 1.4552199606072962
Energy: 1.53898826215175
Energy: 1.4008036762905525
Energy: 1.53898826215175
Energy: 1.3572396754372738
Energy: 1.4915087760519397
Energy: 1.4013081837714876
Energy: 1.4915087760519397
Energy: 1.2416549305929334
Energy: 1.1982874364214566
Energy: 1.4897068936466937
Energy: 1.1982874364214566
Energy: 1.2151758627906135
Energy: 1.21533187001994
Energy: 1.5537042562379573
Energy: 1.21533187001994
Energy: 1.3031618228052761
Energy: 1.2543203033524593
Energy: 1.3007580703920973
Energy: 1.2543203033524593
Energy: 1.492879627181889
Energy: 1.271938779379391
Energy: 1.2923754629793642
Energy: 1.271938779379391
Energy: 1.2312220724227405
Energy: 1.456476098750207
Energy: 1.2703585789990905
Energy: 1.456476098750207
Energy: 1.2603710324189283
Energy: 1.2609587370046125
Energy: 1.4323475414309355
Energy: 1.2609587371010478
Energy: 1.2594991426460942
Energy: 1.352179460075931
Energy: 1.4776839954700358
Energy: 1.3521794602125443
Energy: 1.2621992008386786
Energy: 1.2614241254000056
Energy: 1.4523423181488029
Energy: 1.2614241054753825
Energy: 1.3543405564449054
Energy: 1.445598906472579
Energy: 1.339193196080284
Energy: 1.445598906472579
Energy: 1.3322793886126414
Energy: 1.2530216061227117
Energy: 1.300350453469172
Energy: 1.2530216061227117

minimum gb energy = 1.196563337606747 eV
minimum distance =  2.30889205242047 Angstroms
sigma value = 53


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

Energy: 1.6663404288290355
Energy: 1.2599123356448583
Energy: 1.2600053392665798
Energy: 1.1915992109597546
Energy: 1.2193913948499662
Energy: 1.2197086874790837
Energy: 1.2431059707634184
Energy: 1.2197086874718701
Energy: 1.2597396822871139
Energy: 1.2212276708631116
Energy: 1.4134660455263237
Energy: 1.221227670862186
Energy: 1.2196483046320616
Energy: 1.220090097053706
Energy: 1.2188564788188958
Energy: 1.2200900993942798
Energy: 1.2432766797062376
Energy: 1.2481099906822763
Energy: 1.169034190532693
Energy: 1.2481099906826445
Energy: 1.4212207174162652
Energy: 1.2480837013759902
Energy: 1.1681179337862473
Energy: 1.2480837013761792
Energy: 1.264442328823737
Energy: 1.2195495027867198
Energy: 1.2193064501860333
Energy: 1.2195495027939336
Energy: 1.2637287878807562
Energy: 1.2188406370916225
Energy: 1.2192080295809784
Energy: 1.2188406370969858
Energy: 1.2596723743123426
Energy: 1.2193262761882784
Energy: 1.414156426931584
Energy: 1.2193262761871637
Energy: 1.2187567536319288
Energy: 1.2191535684476342
Energy: 1.2422605440719043
Energy: 1.2191535684480026
Energy: 1.4192122494848551
Energy: 1.248032370426324
Energy: 1.1695412626883401
Energy: 1.2480323704268816
Energy: 1.2202690302328802
Energy: 1.2474957922387329
Energy: 1.168282071713334
Energy: 1.2474957922387329
Energy: 1.2634570798107865
Energy: 1.2188683413005237
Energy: 1.2186446486177138
Energy: 1.2188683412995984

minimum gb energy = 1.1681179337862473 eV
minimum distance =  2.32672359728746 Angstroms
sigma value = 9


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

Energy: 1.5988266781951295
Energy: 1.3496395835432442
Energy: 1.4057798091855715
Energy: 1.273086950755743
Energy: 1.3737035038872212
Energy: 1.5398489834525058
Energy: 1.4108495016307276
Energy: 1.539848968816966
Energy: 1.2387175258307856
Energy: 1.2338251141512784
Energy: 1.5054413131983644
Energy: 1.2338251141526482
Energy: 1.2401370801883227
Energy: 1.2302378045806213
Energy: 1.4320028317023341
Energy: 1.2302378045799363
Energy: 1.2326033367356817
Energy: 1.2298857370684242
Energy: 1.3486472087277463
Energy: 1.2298857370684242
Energy: 1.316253681542065
Energy: 1.4439172210537214
Energy: 1.34686036271224
Energy: 1.4439172210537214
Energy: 1.5284332673937244
Energy: 1.281501885112154
Energy: 1.3995747788753552
Energy: 1.281501885112154
Energy: 1.4776528168550251
Energy: 1.2987982441216865
Energy: 1.298817895439248
Energy: 1.2987982441216865
Energy: 1.2838889318874847
Energy: 1.6163372139932841
Energy: 1.3266818293321962
Energy: 1.6163372139631595
Energy: 1.2406480596000946
Energy: 1.3872294431005552
Energy: 1.3248361696344204
Energy: 1.387229446856824
Energy: 1.2362213407116924
Energy: 1.2376128894187457
Energy: 1.475888169393825
Energy: 1.2376128894173755
Energy: 1.3312845349907516
Energy: 1.2573122714718488
Energy: 1.5321578547370265
Energy: 1.257312271471164
Energy: 1.4355075864408136
Energy: 1.2372451518115213
Energy: 1.4430877229199854
Energy: 1.2372451518115213
Energy: 1.4108926927151797
Energy: 1.2369066487019074
Energy: 1.273045132057858
Energy: 1.2369066487019074
Energy: 1.55089389870611
Energy: 1.3887881217222138
Energy: 1.324300493100154
Energy: 1.3887881215784246
Energy: 1.397890637714792
Energy: 1.4658198891298408
Energy: 1.326860761159734
Energy: 1.4658198891305256
Energy: 1.328109959557079
Energy: 1.4229551375898022
Energy: 1.3228621354012222
Energy: 1.4229551373556386
Energy: 1.3922515608221528
Energy: 1.3129449332789345
Energy: 1.599633754256386
Energy: 1.3129449332789345
Energy: 1.4099928839448899
Energy: 1.2998060241975253
Energy: 1.4234536639428081
Energy: 1.2998117289645827
Energy: 1.504161894571816
Energy: 1.232786111355144
Energy: 1.2301934446591263
Energy: 1.232786111358569
Energy: 1.4099439415971995
Energy: 1.2309476110119666
Energy: 1.2310440824765014
Energy: 1.2309476110140216
Energy: 1.3494166442784348
Energy: 1.2298008925613721
Energy: 1.2317670645290992
Energy: 1.229800892560687
Energy: 1.3549887542884516
Energy: 1.444048311224043
Energy: 1.3251463267713985
Energy: 1.444048311224043
Energy: 1.4008691577698817
Energy: 1.2811973438362525
Energy: 1.5264931836760813
Energy: 1.2811973438355673
Energy: 1.315439350910642
Energy: 1.2998003841116468
Energy: 1.43838375494014
Energy: 1.2998003841116468
Energy: 1.3196187065463802
Energy: 1.6156655261172206
Energy: 1.264970058750435
Energy: 1.6156655261172206
Energy: 1.3257993268935668
Energy: 1.320598010988764
Energy: 1.2401955356760233
Energy: 1.3205978406421366
Energy: 1.474883628876853
Energy: 1.2366938261649678
Energy: 1.2373857709991243
Energy: 1.2366938261649678
Energy: 1.6007758454005838
Energy: 1.237408093478777
Energy: 1.2370168252947205
Energy: 1.2374080939443795
Energy: 1.4475701130032765
Energy: 1.23755468584394
Energy: 1.4361461926711945
Energy: 1.23755468584394
Energy: 1.2735234508031283
Energy: 1.2374158015627967
Energy: 1.4845695884418662
Energy: 1.2374158015717018
Energy: 1.2613387802717402
Energy: 1.3209992009885947
Energy: 1.5522905757676138
Energy: 1.3209655626689314
Energy: 1.3225281513745366
Energy: 1.4663130321336693
Energy: 1.3984616855306482
Energy: 1.4663130320282247
Energy: 1.3227167795244732
Energy: 1.4239631462517632
Energy: 1.3022467530356965
Energy: 1.4239631602388814
Energy: 1.600859292867219
Energy: 1.282066814911067
Energy: 1.3678486351567272
Energy: 1.282066814911067

minimum gb energy = 1.229800892560687 eV
minimum distance =  2.30584645535701 Angstroms
sigma value = 73


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

Energy: 1.6802876570102447
Energy: 1.344453638512287
Energy: 1.3444347994389085
Energy: 1.3032245867823047
Energy: 1.4652237785196562
Energy: 1.502479194472447
Energy: 1.475083625508358
Energy: 1.5024791944735338
Energy: 1.241494646509683
Energy: 1.2419880065335818
Energy: 1.458897840980627
Energy: 1.241988006533693
Energy: 1.242077387968123
Energy: 1.2415598143169313
Energy: 1.4747159080068553
Energy: 1.2415598143168203
Energy: 1.2808981906044286
Energy: 1.246135747499577
Energy: 1.4832938001187743
Energy: 1.246135747499478
Energy: 1.3186119320227878
Energy: 1.5002422566231357
Energy: 1.4130198953177187
Energy: 1.5002422566228022
Energy: 1.5272610768961215
Energy: 1.2798758504954864
Energy: 1.4074655184118028
Energy: 1.279875850495264
Energy: 1.5456333607275845
Energy: 1.3158740128259079
Energy: 1.3306904193822113
Energy: 1.315874012825809
Energy: 1.4132867540468346
Energy: 1.4284046281539529
Energy: 1.4275502865465943
Energy: 1.4284046281854583
Energy: 1.3179708880843644
Energy: 1.465499191976724
Energy: 1.377448049031922
Energy: 1.4654991919766251
Energy: 1.2906186526756693
Energy: 1.2052012266685883
Energy: 1.548728072159819
Energy: 1.2052012266684775
Energy: 1.3065079693591808
Energy: 1.3037632227649825
Energy: 1.5283764302603362
Energy: 1.30376322276455
Energy: 1.427454655621738
Energy: 1.4753839354493057
Energy: 1.5483522928584625
Energy: 1.47538393544854
Energy: 1.435051844401668
Energy: 1.290516531580068
Energy: 1.2851954892123942
Energy: 1.2905165315798581
Energy: 1.462473715214788
Energy: 1.3169174706478708
Energy: 1.2735536001339864
Energy: 1.3169174706552564
Energy: 1.4839552708586763
Energy: 1.258856330647816
Energy: 1.2845786238689034
Energy: 1.258856330647816
Energy: 1.413358561890796
Energy: 1.5128431088295056
Energy: 1.331908013156927
Energy: 1.5128431088298266
Energy: 1.3834148697522537
Energy: 1.3012818743265797
Energy: 2.0087799909439945
Energy: 1.3012818743262586
Energy: 1.3076806223013122
Energy: 1.3073986296183508
Energy: 1.546230022516976
Energy: 1.3073986296181284
Energy: 1.4034404651524353
Energy: 1.354080011258707
Energy: 1.3574602886228255
Energy: 1.3540800112588058
Energy: 1.3744719060117792
Energy: 1.4790327098281644
Energy: 1.3138281582520626
Energy: 1.4790327098284854
Energy: 1.5998277499190237
Energy: 1.273026283551547
Energy: 1.2804850256589946
Energy: 1.273026283550028

minimum gb energy = 1.2052012266684775 eV
minimum distance =  2.30204057451229 Angstroms
sigma value = 7


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

Energy: 2.0144396484768663
Energy: 1.3527465274841368
Energy: 1.4102585685883633
Energy: 1.2737978373020034
Energy: 1.4372454613770007
Energy: 1.29192993996249
Energy: 1.436917526056013
Energy: 1.2919299399632587
Energy: 1.2731608900683797
Energy: 1.2495193701009466
Energy: 1.4152611391635446
Energy: 1.2495193700994096
Energy: 1.2959199429978352
Energy: 1.249183314121282
Energy: 1.4371763563330877
Energy: 1.2491833141197448
Energy: 1.2533189744140794
Energy: 1.2245163303650892
Energy: 1.5041329321955261
Energy: 1.224516330365858
Energy: 1.4536107035023802
Energy: 1.2250361871958526
Energy: 1.4604821630425135
Energy: 1.2250361871935473
Energy: 1.6121975913057929
Energy: 1.4011967830293242
Energy: 1.4199556459871168
Energy: 1.4011967830293242
Energy: 1.5725849776086367
Energy: 1.2250870679029544
Energy: 1.2253179729802859
Energy: 1.2250870679029544
Energy: 1.4263266331624833
Energy: 1.2512489107577307
Energy: 1.2514286171848568
Energy: 1.2512489107577307
Energy: 1.583441264217355
Energy: 1.4713732123118766
Energy: 1.3686691936918522
Energy: 1.4713732123164875
Energy: 1.3542882414622464
Energy: 1.4775582269735732
Energy: 1.5797617343745927
Energy: 1.4775582269735732
Energy: 1.31769653108672
Energy: 1.2671467691919716
Energy: 1.6328941107385906
Energy: 1.26714676919274
Energy: 1.3858452266727166
Energy: 1.471123845550388
Energy: 1.3487172337799251
Energy: 1.4711238461311105
Energy: 1.4026740560923947
Energy: 1.43365995954327
Energy: 1.3105977571371787
Energy: 1.43365995954327
Energy: 1.4133580640073415
Energy: 1.4290825727119958
Energy: 1.2609571081129536
Energy: 1.4290825727119958
Energy: 1.6598327935305266
Energy: 1.214112305515332
Energy: 1.3653534470211857
Energy: 1.2141123055145637
Energy: 1.6120360456007803
Energy: 1.2128653390917623
Energy: 1.4321351703015348
Energy: 1.2128653391063464
Energy: 1.2718521900003563
Energy: 1.4287079065373227
Energy: 1.414338490871969
Energy: 1.4287079065396284
Energy: 1.2867218800031484
Energy: 1.3701132010128936
Energy: 1.4796361488878391
Energy: 1.370113201013662
Energy: 1.2467515139490863
Energy: 1.237004357658218
Energy: 1.5651072987424757
Energy: 1.2370043576551442
Energy: 1.4764316392968613
Energy: 1.5069202511845838
Energy: 1.5041900009967002
Energy: 1.5069202511776671
Energy: 1.5951811816128614
Energy: 1.4783471900877994
Energy: 1.418879158901423
Energy: 1.4783471900877994
Energy: 1.595837363839913
Energy: 1.2259455634588474
Energy: 1.2256439548881086
Energy: 1.2259455634580787
Energy: 1.429074349502102
Energy: 1.2971386438245534
Energy: 1.2499992072714117
Energy: 1.2971386438245534
Energy: 1.5332025107763667
Energy: 1.2502131574937327
Energy: 1.2494482467377284
Energy: 1.250213157370057
Energy: 1.3737090196354116
Energy: 1.5702642339020194
Energy: 1.3452759982256202
Energy: 1.5702642339020194
Energy: 1.3823430179375251
Energy: 1.3521029254645884
Energy: 1.799516627908405
Energy: 1.352102925462283
Energy: 1.2930990257584802
Energy: 1.2776990745987309
Energy: 1.3724721692839947
Energy: 1.2776990745994996
Energy: 1.376583903814635
Energy: 1.3355241282343964
Energy: 1.3220547551513147
Energy: 1.3355241282343964
Energy: 1.3775239249068008
Energy: 1.436605693795722
Energy: 1.3140658047462006
Energy: 1.4366056937964904
Energy: 1.6450944253361142
Energy: 1.2679416420533547
Energy: 1.3481188351315012
Energy: 1.2679416420525862

minimum gb energy = 1.2128653390917623 eV
minimum distance =  2.30205302209546 Angstroms
sigma value = 29


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

Energy: 1.1644692458330608
Energy: 1.3755046597979697
Energy: 1.3034305153041719
Energy: 1.1659335846343428
Energy: 1.0984075928846073
Energy: 1.1748912043085116
Energy: 1.1769152798191747
Energy: 1.1748912043082442
Energy: 1.244946089816753
Energy: 1.0986427858049828
Energy: 1.1308573311480343
Energy: 1.0986427858049828
Energy: 1.0885587966583277
Energy: 1.2490320563353265
Energy: 1.0985019261277504
Energy: 1.2490320563345385
Energy: 1.1330610048624792
Energy: 1.1346269252461554
Energy: 1.1661452237352503
Energy: 1.134626925227328
Energy: 1.098208509275
Energy: 1.2251243277737993
Energy: 1.1661220408920654
Energy: 1.2251243277737993
Energy: 1.1306592690540167
Energy: 1.1333469294791876
Energy: 1.098667016209018
Energy: 1.1333469294791876
Energy: 1.176562405947284
Energy: 1.1754429229909802
Energy: 1.0894570247205062
Energy: 1.1754429229909802
Energy: 1.140676682114448
Energy: 1.1327212359035193
Energy: 1.1313402506736905
Energy: 1.132721235904828

minimum gb energy = 1.0885587966583277 eV
minimum distance =  2.34781099186058 Angstroms
sigma value = 5


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

Energy: 1.6244471168334655
Energy: 1.1473095131838913
Energy: 1.1470336936344645
Energy: 1.1695398869012699
Energy: 1.5135655617569141
Energy: 1.1746843563385059
Energy: 1.3324063047767976
Energy: 1.1746843564524285
Energy: 1.355983780795935
Energy: 1.251252421648664
Energy: 1.35421825836648
Energy: 1.251252421648664
Energy: 1.2862008632983848
Energy: 1.1743148535765886
Energy: 1.4285319352410772
Energy: 1.1743150117304932
Energy: 1.330839479638013
Energy: 1.1461717041891528
Energy: 1.7344269514979587
Energy: 1.1461717041891528
Energy: 1.1582975988315072
Energy: 1.145514472190029
Energy: 1.7338086305846772
Energy: 1.1455144721907549
Energy: 1.1706810920499815
Energy: 1.169705434217471
Energy: 1.5559891947996443
Energy: 1.1697054342131317
Energy: 1.1868500289265667
Energy: 1.1660892243417902
Energy: 1.6085898741559839
Energy: 1.1660892243425158
Energy: 1.5335863002836905
Energy: 1.409562076999503
Energy: 1.5277708393825609
Energy: 1.409562076998051
Energy: 1.4372760309609371
Energy: 1.1426661118688433
Energy: 1.149487812613094
Energy: 1.1426661118688433
Energy: 1.5462923399074215
Energy: 1.1556906871436472
Energy: 1.1551256788361262
Energy: 1.1556906871436472
Energy: 1.5645015668491797
Energy: 1.1447750012579765
Energy: 1.1483375919498608
Energy: 1.1447750012579765
Energy: 1.5828071323197588
Energy: 1.4491502442132782
Energy: 1.3291412174865767
Energy: 1.4491502442147297
Energy: 1.4294148232177344
Energy: 1.623045019584003
Energy: 1.4307711790541162
Energy: 1.623045019584003
Energy: 1.2375711431234524
Energy: 1.3003644096512053
Energy: 1.4320975891334322
Energy: 1.3003644096512053
Energy: 1.2252811128326282
Energy: 1.1471202693192664
Energy: 1.5638734940832844
Energy: 1.1471202693185405
Energy: 1.2074133021222897
Energy: 1.129684692206633
Energy: 1.9162636106095992
Energy: 1.129684692205907
Energy: 1.353318725057788
Energy: 1.1471891374733227
Energy: 1.4469276632716468
Energy: 1.1471891374733227
Energy: 1.4374847590734374
Energy: 1.3536494821403244
Energy: 1.2817305738516602
Energy: 1.3536494821410505
Energy: 1.5063202023756221
Energy: 1.3511081677830172
Energy: 1.268151539224727
Energy: 1.3511081677844687
Energy: 1.7334740687867605
Energy: 1.1611031453322849
Energy: 1.225791402915195
Energy: 1.1611031453322849
Energy: 1.7353805807139058
Energy: 1.1512318279134666
Energy: 1.1609422218361583
Energy: 1.1512318279141924
Energy: 1.5538285606158988
Energy: 1.171539882734936
Energy: 1.190092326063594
Energy: 1.171539882734936
Energy: 1.5846123591000596
Energy: 1.1881594553188994
Energy: 1.1890347788058317
Energy: 1.1881594553181738
Energy: 1.5277228515867818
Energy: 1.4052365370361273
Energy: 1.540260971806659
Energy: 1.4052365370361273
Energy: 1.1477165950574741
Energy: 1.1747706557484787
Energy: 1.4371572810643851
Energy: 1.1747706557448492
Energy: 1.1548589615542826
Energy: 1.1501433809021533
Energy: 1.4982412828347258
Energy: 1.1501433809036052
Energy: 1.1424559743700389
Energy: 1.138075972147263
Energy: 1.487760541214864
Energy: 1.138075972147263
Energy: 1.4077201080466808
Energy: 1.4441162488108332
Energy: 1.6274847652660014
Energy: 1.4441162488108332
Energy: 1.430954936765047
Energy: 1.4151798205384316
Energy: 1.4155779240238309
Energy: 1.4151798205391575
Energy: 1.4305595841300283
Energy: 1.1665194074236314
Energy: 1.1710991609370525
Energy: 1.1665194074236314
Energy: 1.4726492279430679
Energy: 1.1717103914508238
Energy: 1.173388515670787
Energy: 1.1717103914508238
Energy: 1.805736185741554
Energy: 1.147213695667886
Energy: 1.1478573590161614
Energy: 1.147213695667886

minimum gb energy = 1.129684692205907 eV
minimum distance =  2.29240836970407 Angstroms
sigma value = 1


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

Energy: 1.6168592509028703
Energy: 1.1058150253919077
Energy: 1.105969077718348
Energy: 1.1347873074133974
Energy: 1.4679119111043102
Energy: 1.1462397443700003
Energy: 1.3089187395689053
Energy: 1.146239744400603
Energy: 1.332532740394633
Energy: 1.2520346550243726
Energy: 1.3642481405095115
Energy: 1.2520346550239732
Energy: 1.1347868572974866
Energy: 1.4085647268972006
Energy: 1.5563604008509138
Energy: 1.4085647268977024
Energy: 1.3137631988529614
Energy: 1.106233332556532
Energy: 1.6787798528153424
Energy: 1.1062333325569311
Energy: 1.1057144345651835
Energy: 1.1061518290029446
Energy: 1.6790986542380004
Energy: 1.1061518290029446
Energy: 1.1141633827767157
Energy: 1.1141132973511088
Energy: 1.5003568374301774
Energy: 1.114113297351508
Energy: 1.1284627805522678
Energy: 1.1311477780943864
Energy: 1.6307076161093317
Energy: 1.131147778094683
Energy: 1.4722156031154194
Energy: 1.2121622596235964
Energy: 1.5296830320926091
Energy: 1.2121622596190795
Energy: 1.3758221052230404
Energy: 1.114669191200671
Energy: 1.1304898866366946
Energy: 1.1146691911902342
Energy: 1.4686053104810954
Energy: 1.1335317877901363
Energy: 1.1329562007331306
Energy: 1.133531787790239
Energy: 1.5574103364590786
Energy: 1.1058209448280916
Energy: 1.1057936133471185
Energy: 1.1058209448280916
Energy: 1.6068010388948986
Energy: 1.1062091504936309
Energy: 1.2948157973193493
Energy: 1.106209150493836
Energy: 1.4690207496747867
Energy: 1.4084903880666078
Energy: 1.3637109051764158
Energy: 1.4084903877793697
Energy: 1.1348927522459855
Energy: 1.2526477944021128
Energy: 1.3654864468435273
Energy: 1.252647794403915
Energy: 1.1630448935988187
Energy: 1.1460933255113641
Energy: 1.5563007525016486
Energy: 1.1460933255429586
Energy: 1.126843730062976
Energy: 1.1066103703775516
Energy: 1.7840015669603366
Energy: 1.1066103704013217
Energy: 1.1284242085800116
Energy: 1.128138897617423
Energy: 1.678920050637078
Energy: 1.1281388976180275
Energy: 1.1142018675064134
Energy: 1.1147262510823839
Energy: 1.5301636334233546
Energy: 1.1147262510824867
Energy: 1.1284289847264422
Energy: 1.4154588753278068
Energy: 1.6304461098615948
Energy: 1.4154588754137853
Energy: 1.3610860464062624
Energy: 1.1917198107232594
Energy: 1.4678252904204239
Energy: 1.1917198107235676
Energy: 1.3728194824736106
Energy: 1.1296508623252082
Energy: 1.131137063241272
Energy: 1.129650862324501
Energy: 1.4687879533766044
Energy: 1.1306217911222443
Energy: 1.1454295091510913
Energy: 1.1306217911229515
Energy: 1.606862492645249
Energy: 1.1060475006498136
Energy: 1.10683012386394
Energy: 1.106047500649517

minimum gb energy = 1.1057144345651835 eV
minimum distance =  2.29975818025742 Angstroms
sigma value = 17


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

Energy: 1.703174592767838
Energy: 1.101122333831078
Energy: 1.100908329097035
Energy: 1.1153546893415363
Energy: 1.6942098373740335
Energy: 1.1203040218324907
Energy: 1.2476394615701665
Energy: 1.120304021876538
Energy: 1.3863697050906183
Energy: 1.338606925646622
Energy: 1.2592442081722282
Energy: 1.3386069256559279
Energy: 1.3863525378751702
Energy: 1.584924361739129
Energy: 1.255150855536599
Energy: 1.5849243617385085
Energy: 1.4661182361706881
Energy: 1.0851795104115884
Energy: 1.5176944493300484
Energy: 1.0851795104115884
Energy: 1.085435019163988
Energy: 1.0848713528979215
Energy: 1.7352615445606596
Energy: 1.0848713528973009
Energy: 1.100969076590179
Energy: 1.0996128751732512
Energy: 1.5281530573416717
Energy: 1.099612875174492
Energy: 1.0837486217649404
Energy: 1.0977295900806334
Energy: 1.701371391804245
Energy: 1.097729590081254
Energy: 1.4629961902821724
Energy: 1.1025586349299825
Energy: 1.5265600173482592
Energy: 1.1025575104825092
Energy: 1.2536975385179172
Energy: 1.326140353254952
Energy: 1.2630804833915688
Energy: 1.3261402850521375
Energy: 1.4982363370900464
Energy: 1.2934184887058098
Energy: 1.1055160798391261
Energy: 1.2934184887076712
Energy: 1.7588088627230665
Energy: 1.1151894269646005
Energy: 1.2433519112691545
Energy: 1.115189426960258
Energy: 1.7780385233094702
Energy: 1.1032461783184393
Energy: 1.112529994201429
Energy: 1.1032461783184393
Energy: 1.6080715483204169
Energy: 1.111242447013516
Energy: 1.1195640005695637
Energy: 1.1112424470159976
Energy: 1.3859205428739925
Energy: 1.1099343361897602
Energy: 1.109803868471695
Energy: 1.1099343361941032
Energy: 1.616709832513947
Energy: 1.3184438327241985
Energy: 1.55346212417407
Energy: 1.318443832724819
Energy: 1.114351672046802
Energy: 1.1964716984975698
Energy: 1.5645132580415568
Energy: 1.196473103286879
Energy: 1.0926373218246337
Energy: 1.0928521789136085
Energy: 1.5551606038511883
Energy: 1.092852178914229
Energy: 1.1210371307004756
Energy: 1.12191421834537
Energy: 1.7589460867999527
Energy: 1.1219142183447497
Energy: 1.2396292370727
Energy: 1.104406869628752
Energy: 1.7003882956222576
Energy: 1.104406869629993
Energy: 1.2470454056303284
Energy: 1.1159809093831439
Energy: 1.6958190646287907
Energy: 1.1159809093502635
Energy: 1.261438166707744
Energy: 1.3601885508024616
Energy: 1.3845083581245676
Energy: 1.3601885508018412
Energy: 1.5274150368862338
Energy: 1.507628034297092
Energy: 1.3866674645048707
Energy: 1.5076280343001938
Energy: 1.5195508409989336
Energy: 1.0864223811091767
Energy: 1.3663405844858145
Energy: 1.0864223811091767
Energy: 1.6893485799399002
Energy: 1.0846482925103866
Energy: 1.0860966787907094
Energy: 1.084648292511007
Energy: 1.529126077567036
Energy: 1.1018309349510418
Energy: 1.1025168436747974
Energy: 1.1018309351811204
Energy: 1.7025368781132435
Energy: 1.0850378728460357
Energy: 1.0846382498345133
Energy: 1.085037872844795
Energy: 1.5306412797063975
Energy: 1.1020032169359704
Energy: 1.4643656727913552
Energy: 1.102002786763109
Energy: 1.2574829625938857
Energy: 1.3217053969595152
Energy: 1.2542120499119915
Energy: 1.3217047553520804
Energy: 1.106795435330111
Energy: 1.291605774254566
Energy: 1.533142449343888
Energy: 1.2916057610766187
Energy: 1.2412803545763744
Energy: 1.1022470199969105
Energy: 1.7605443629060873
Energy: 1.1022470199962902
Energy: 1.110193215386759
Energy: 1.103039940149969
Energy: 1.7774426189176016
Energy: 1.103039940149969
Energy: 1.0936276753377416
Energy: 1.1129378365785652
Energy: 1.6064591171484932
Energy: 1.1129378365773248
Energy: 1.1076915066320863
Energy: 1.0937339155962968
Energy: 1.400773830309605
Energy: 1.0937339155975379
Energy: 1.554474737016511
Energy: 1.1487490078799114
Energy: 1.6014392030154043
Energy: 1.1487490048643023
Energy: 1.5548285194409746
Energy: 1.094594296161673
Energy: 1.1147369373706788
Energy: 1.094594296197007
Energy: 1.553952278620952
Energy: 1.102240856391096
Energy: 1.0932640268700995
Energy: 1.1022408563879942
Energy: 1.756195753066647
Energy: 1.114529944738443
Energy: 1.1030304000900504
Energy: 1.114529944738443

minimum gb energy = 1.0837486217649404 eV
minimum distance =  2.29341830901812 Angstroms
sigma value = 89


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

Energy: 1.8103386339630925
Energy: 1.0175360518809025
Energy: 1.0172690042613513
Energy: 1.710693018633921
Energy: 1.6382453701058657
Energy: 1.3930994269717472
Energy: 1.335672920787316
Energy: 1.393099426971904
Energy: 0.997774659271722
Energy: 1.1078077923208078
Energy: 1.3479898830041124
Energy: 1.1078077923209737
Energy: 0.9972486838366225
Energy: 1.1044151469410906
Energy: 1.3339976949688443
Energy: 1.1044151476725301
Energy: 1.057007011327639
Energy: 1.0178049135995004
Energy: 1.3816986906453301
Energy: 1.0178049135995004
Energy: 1.0348866914597876
Energy: 1.0342147339328236
Energy: 1.3822284444712103
Energy: 1.0342147339329897
Energy: 1.0171850260879516
Energy: 1.0037806718410172
Energy: 1.3342134641873635
Energy: 1.003780671840851
Energy: 1.017824615256971
Energy: 1.0171412807354272
Energy: 1.7020582545588296
Energy: 1.0171412807467808
Energy: 1.3341242749288174
Energy: 1.3932579736861488
Energy: 1.6294320999652352
Energy: 1.393257973685992
Energy: 1.3864616470659785
Energy: 1.0996851769201037
Energy: 1.3343096664296756
Energy: 1.0996851769163685
Energy: 1.334349876010596
Energy: 1.4085202822266034
Energy: 0.9970885266366062
Energy: 1.408520282226769
Energy: 1.381783728793836
Energy: 1.0177237553075076
Energy: 1.0763709461996942
Energy: 1.017723755300037
Energy: 1.3849038885405043
Energy: 1.0322526000106853
Energy: 1.0339456801355045
Energy: 1.032252610778107
Energy: 1.334435710490331
Energy: 1.0033471639096132
Energy: 1.0170254335921458
Energy: 1.0033471639096132
Energy: 1.6640841686572025
Energy: 1.017410317649534
Energy: 1.017294488566283
Energy: 1.017410317678411

minimum gb energy = 0.9970885266366062 eV
minimum distance =  2.31626745958791 Angstroms
sigma value = 13


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

Energy: 1.5993665482678638
Energy: 0.9687623723398788
Energy: 0.9863821387928605
Energy: 0.9543848184042243
Energy: 1.566143038212794
Energy: 1.1335743324365515
Energy: 1.1135463629432252
Energy: 1.1335743312654762
Energy: 1.5319874330592107
Energy: 1.1370896582496761
Energy: 1.0901024902143186
Energy: 1.1370896582496761
Energy: 1.2608207041982828
Energy: 1.2913783976888238
Energy: 1.2376615815565815
Energy: 1.2913784000357211
Energy: 1.4788209324399062
Energy: 1.2902633722136736
Energy: 1.393263546067711
Energy: 1.2902633719307819
Energy: 1.0937194957760528
Energy: 0.9379344832027939
Energy: 1.395004229177484
Energy: 0.9379344832027939
Energy: 1.0910128973542663
Energy: 1.1370879542409835
Energy: 1.7086920421122873
Energy: 1.1370879542409835
Energy: 1.121473099847104
Energy: 0.9704062139569615
Energy: 1.690576452882057
Energy: 0.9704062139576418
Energy: 0.9801590894764262
Energy: 0.9374060048329365
Energy: 1.7068139384156789
Energy: 0.9374060048336167
Energy: 0.9511516135192062
Energy: 0.9361215924222229
Energy: 1.7083149658644663
Energy: 0.9361215924229033
Energy: 0.9733848486158375
Energy: 0.9368382934859909
Energy: 1.6000816087679328
Energy: 0.9368382936213213
Energy: 1.3820894757602593
Energy: 1.2766683496339397
Energy: 1.7081807315441417
Energy: 1.2766683496359805
Energy: 1.3942406744271152
Energy: 1.4070476397999117
Energy: 1.3795829130765225
Energy: 1.4070476397992313
Energy: 1.4001920044006637
Energy: 1.469080613897027
Energy: 1.2642839343791623
Energy: 1.4690806138963466
Energy: 1.6723258539117407
Energy: 0.9376943478450185
Energy: 1.2371614647383464
Energy: 0.9376943476858753
Energy: 1.6432969590419029
Energy: 0.936545433558413
Energy: 0.9755726055905249
Energy: 0.9365454335536504
Energy: 1.5633310771470232
Energy: 0.9370694588725735
Energy: 0.9568228662125486
Energy: 0.9370694588725735
Energy: 1.5895739265774909
Energy: 0.9364837260738177
Energy: 0.9869902000465067
Energy: 0.9364837260812864
Energy: 1.7643401832209686
Energy: 1.1609525213729213
Energy: 1.1209911445644232
Energy: 1.1609525213729213
Energy: 1.5033676589362541
Energy: 1.1427676266490545
Energy: 1.0996293995714042
Energy: 1.1427676266463331
Energy: 1.268965631858057
Energy: 1.2911806681372424
Energy: 1.1141227826126332
Energy: 1.291180688962757
Energy: 1.478725725489716
Energy: 1.469467344548595
Energy: 1.3960419091270242
Energy: 1.4694673445465543
Energy: 1.0900258687912592
Energy: 0.9382741358937606
Energy: 1.3934250834204747
Energy: 0.938274135896482
Energy: 0.9367864888562345
Energy: 1.1449652605461986
Energy: 1.6252238600081963
Energy: 1.144965260546879
Energy: 1.1205913726144334
Energy: 0.9675951446335389
Energy: 1.6712023131310545
Energy: 0.9675951446498676
Energy: 0.9706870738358121
Energy: 0.969918742650429
Energy: 1.6692791090752437
Energy: 0.969918742735428
Energy: 0.9360251045517809
Energy: 0.9361140353615961
Energy: 1.7076863329115235
Energy: 0.9361140353609158
Energy: 0.9737452634265912
Energy: 0.937485753221806
Energy: 1.5815533369883066
Energy: 0.9374857532551284
Energy: 1.3834929389772843
Energy: 1.5035614804385184
Energy: 1.7354994623282238
Energy: 1.5035614804391988
Energy: 1.0990160107122577
Energy: 1.4113672755185582
Energy: 1.37662183763125
Energy: 1.4113672755185582
Energy: 1.3987208859914295
Energy: 1.4720189110167976
Energy: 1.2697280246602187
Energy: 1.4720189110167976
Energy: 1.6515091300624873
Energy: 1.4726694524698964
Energy: 1.3825890712028588
Energy: 1.472669452470577
Energy: 1.672714080507313
Energy: 0.9383250138732501
Energy: 0.979346624071468
Energy: 0.9383250138732501
Energy: 1.5616799857297607
Energy: 0.9364020881759663
Energy: 0.9545540115553963
Energy: 0.9364020881759663
Energy: 1.7960797143855616
Energy: 0.9680484139407524
Energy: 0.9936710835571446
Energy: 0.9680484139448347

minimum gb energy = 0.9360251045517809 eV
minimum distance =  2.300718807721 Angstroms
sigma value = 37


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

Energy: 1.416021937787049
Energy: 0.9520702446269542
Energy: 0.9118121465121174
Energy: 1.6560943553029734
Energy: 1.8130262396859012
Energy: 1.169219725518655
Energy: 1.1442899677940643
Energy: 1.1692197255176044
Energy: 1.3665455314588726
Energy: 1.165776218701379
Energy: 1.1203012163916004
Energy: 1.1657762187010197
Energy: 1.3990491362891755
Energy: 1.19973695509704
Energy: 1.399298798762532
Energy: 1.1997369537550282
Energy: 1.3989827415019842
Energy: 1.2000084940180635
Energy: 1.125655937661009
Energy: 1.2000084940177045
Energy: 0.8509730642000721
Energy: 1.219613046440853
Energy: 1.5681139622491664
Energy: 1.2196130464406136
Energy: 0.8329076674269984
Energy: 1.1652369001824125
Energy: 1.564638643125287
Energy: 1.1652369000059664
Energy: 1.1037866068932627
Energy: 0.8356933491763942
Energy: 1.6513474771975871
Energy: 0.8356933491837631
Energy: 0.8445051852695572
Energy: 0.8358444449170234
Energy: 1.563213159197625
Energy: 0.8358444449170234
Energy: 0.8809918824128783
Energy: 0.8441094987706889
Energy: 1.7542977857819113
Energy: 0.8441094987705691
Energy: 0.9121532589335725
Energy: 1.6560943553029734
Energy: 1.416021937787169
Energy: 0.9520679586722268
Energy: 1.1442899677939447
Energy: 1.1692197255167929
Energy: 1.813026239686007
Energy: 1.1692197255132812
Energy: 1.1203012163916004
Energy: 1.1657762187012592
Energy: 1.3665455314589787
Energy: 1.165776218701605
Energy: 1.3992987987621863
Energy: 1.1997369568052718
Energy: 1.3990491362890556
Energy: 1.1997369549677617
Energy: 1.125655937661009
Energy: 1.2000084940181832
Energy: 1.3989827415022238
Energy: 1.2000084940180635
Energy: 1.5681139622489406
Energy: 1.2196130464406136
Energy: 0.8509730641997263
Energy: 1.2196130464406136
Energy: 1.5646386431244623
Energy: 1.1652369002585774
Energy: 0.8329076674268786
Energy: 1.1652369002175154
Energy: 1.6513474771975871
Energy: 0.8356933491313416
Energy: 1.103786607036707
Energy: 0.8356933492362912
Energy: 1.563213159197505
Energy: 0.8358444449175021
Energy: 0.8445051852700228
Energy: 0.8358444449167973
Energy: 1.754297785780741
Energy: 0.8441094987706889
Energy: 0.8809918824128783
Energy: 0.8441094987709149

minimum gb energy = 0.8329076674268786 eV
minimum distance =  2.35428074936073 Angstroms
sigma value = 25


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

Energy: 1.7487526419141008
Energy: 0.8210857974328625
Energy: 0.7340270952126452
Energy: 0.7889654400422218
Energy: 1.7484536140398952
Energy: 1.0094468278875812
Energy: 1.0409463276749147
Energy: 1.0094468278874877
Energy: 1.5798540395948073
Energy: 1.0078863770313031
Energy: 0.9581876552741942
Energy: 1.0078863770310227
Energy: 1.2718699698410243
Energy: 1.2102537644798834
Energy: 1.3510376324214657
Energy: 1.21025376427706
Energy: 1.5891826333897678
Energy: 1.30901566624382
Energy: 1.3439838289886978
Energy: 1.30901566624382
Energy: 1.2641530565275507
Energy: 1.3272190330535931
Energy: 1.3488229307289106
Energy: 1.3272190330533125
Energy: 1.273006642180361
Energy: 1.3017652194536902
Energy: 1.6846297096025715
Energy: 1.3017652194532332
Energy: 1.3580163194445174
Energy: 0.9617613765242028
Energy: 1.475724177229677
Energy: 0.9617613797258528
Energy: 0.929761293071915
Energy: 0.9055510095186254
Energy: 1.673898020664812
Energy: 0.9055510095186254
Energy: 0.9295883661457397
Energy: 0.9237001372539266
Energy: 1.7473143492835796
Energy: 0.9237001372501875
Energy: 0.832908571653013
Energy: 0.8619472370405261
Energy: 1.5211812924483687
Energy: 0.8619472808275849
Energy: 0.8387369437601193
Energy: 0.8753187635369731
Energy: 1.7472993382352133
Energy: 0.8753187635196998
Energy: 0.8332989942300557
Energy: 0.8624600079831917
Energy: 1.8206340424116283
Energy: 0.8624600079839292
Energy: 1.0642218955730152
Energy: 0.7173396710537175
Energy: 1.5713119148463222
Energy: 0.7173396710539045
Energy: 1.0592516470616868
Energy: 1.1371239990492272
Energy: 1.8191334524626428
Energy: 1.1371239990486872
Energy: 1.0659137936285001
Energy: 1.1433533673572718
Energy: 1.5817836612167173
Energy: 1.143353367374545
Energy: 1.3103393814474258
Energy: 1.2337258560389899
Energy: 1.5790391289849008
Energy: 1.2337258560393534
Energy: 1.05594341657924
Energy: 1.2243476897549468
Energy: 1.585275000670776
Energy: 1.224347689786377
Energy: 1.3238501525923347
Energy: 1.221957066038248
Energy: 1.2742097143092634
Energy: 1.2219570660379677
Energy: 1.6763105540027798
Energy: 1.3045479625581151
Energy: 1.2673865680588257
Energy: 1.304547962557845
Energy: 1.5219770872364677
Energy: 1.0575079736131412
Energy: 0.9530344823660349
Energy: 1.0575079736183448
Energy: 1.6766956633021872
Energy: 1.0044334561267931
Energy: 0.832600917243847
Energy: 1.0044334561270631
Energy: 1.7400951806130307
Energy: 1.0078654636161142
Energy: 0.9525567368960788
Energy: 1.0078654636162907
Energy: 1.4751186102378726
Energy: 0.8876698624913074
Energy: 0.7646836479898481
Energy: 0.8876697431746412
Energy: 1.8504819315742194
Energy: 0.730482498212848
Energy: 0.7318660027779469
Energy: 0.7304824982126612
Energy: 1.5779449638456955
Energy: 0.7337626158629434
Energy: 0.7640926585621718
Energy: 0.7337626158626733

minimum gb energy = 0.7173396710537175 eV
minimum distance =  2.35013464815732 Angstroms
sigma value = 41


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

Energy: 1.7681075859684048
Energy: 0.6798248358479211
Energy: 0.6385056643900446
Energy: 0.6887033297512606
Energy: 1.7193044610447608
Energy: 0.8771768658641824
Energy: 0.8947433458507777
Energy: 0.8771768658641824
Energy: 1.5854181137955397
Energy: 0.8803522797048147
Energy: 0.8258057130569203
Energy: 0.8803522797048147
Energy: 1.3460044675810832
Energy: 1.1619104825080593
Energy: 1.169841775983873
Energy: 1.1619104825013151
Energy: 1.593076613075898
Energy: 1.155268283102916
Energy: 1.1703912851303468
Energy: 1.1552682830827001
Energy: 1.3021349996390634
Energy: 1.2074201681362715
Energy: 1.1765008930101344
Energy: 1.2074201681355219
Energy: 1.3055327524457412
Energy: 1.2125181817807227
Energy: 1.4575089012952391
Energy: 1.2125181817807227
Energy: 1.5248522117267105
Energy: 1.2139468297798646
Energy: 1.1792812603060168
Energy: 1.2139468297798646
Energy: 1.0247571663442236
Energy: 1.1601848071433123
Energy: 1.4452631685445052
Energy: 1.160184807013724
Energy: 1.0256105443846437
Energy: 1.1546195637081949
Energy: 1.7205649793802216
Energy: 1.1546195637081949
Energy: 0.841357544572606
Energy: 0.9615717199263487
Energy: 1.5806376854832962
Energy: 0.961571719937572
Energy: 0.826407119702853
Energy: 0.8771080858903068
Energy: 1.7197505670905313
Energy: 0.8771080858910559
Energy: 0.8380349139089679
Energy: 0.8802876755017873
Energy: 1.7200876530189768
Energy: 0.8802876755295137
Energy: 0.6383516283919817
Energy: 0.8791171943531502
Energy: 1.5057882772865308
Energy: 0.8791171944078365
Energy: 0.6395159697262712
Energy: 0.6386626078326805
Energy: 1.9124444598237025
Energy: 0.6386626078326805
Energy: 0.6988981828350808
Energy: 0.639443059876826
Energy: 1.5876204657106392
Energy: 0.639443059876826
Energy: 0.894367802007496
Energy: 0.8788384356630178
Energy: 1.5854395795000007
Energy: 0.8788384356120782
Energy: 0.8255965855399333
Energy: 0.8781645188534982
Energy: 1.7517309864243196
Energy: 0.8781645188527488
Energy: 0.8261710381195628
Energy: 1.1631321277829405
Energy: 1.3269192049882454
Energy: 1.1631321277829405
Energy: 1.1703075757358175
Energy: 1.1575287696128536
Energy: 1.3240094153604551
Energy: 1.1575287696128536
Energy: 1.1814852078651366
Energy: 1.160293642215098
Energy: 1.4453377349166938
Energy: 1.1602936422143486
Energy: 1.1693706739133511
Energy: 1.207915531937773
Energy: 1.310617325206704
Energy: 1.2079155319370236
Energy: 1.4448195448121945
Energy: 1.1990706979547334
Energy: 1.3028765336149528
Energy: 1.1990706979547334
Energy: 1.178912654515491
Energy: 1.2140651993789435
Energy: 1.163944179567097
Energy: 1.2140651993781943
Energy: 1.4455138324392336
Energy: 1.1616849493944585
Energy: 1.0158190464772288
Energy: 1.161684949393709
Energy: 1.445104493171276
Energy: 1.1565899979890009
Energy: 1.169298087803412
Energy: 1.156589997984505
Energy: 1.4496469833375336
Energy: 0.9357078007496719
Energy: 0.8385428424729826
Energy: 0.9357078007489223
Energy: 1.7504437770337566
Energy: 0.8776926400469514
Energy: 0.8252897833149723
Energy: 0.8776926409397993
Energy: 1.4852089895006402
Energy: 0.8789326434531228
Energy: 0.8395917943610388
Energy: 0.8789327628461616
Energy: 1.4680089470366644
Energy: 0.6389631857287867
Energy: 0.6386663162810634
Energy: 0.6389631857280373
Energy: 1.7194257673934275
Energy: 0.6398649089179804
Energy: 0.6389430905181381
Energy: 0.639864908917231
Energy: 1.5902122434552879
Energy: 0.6395780957654656
Energy: 0.6384402019011666
Energy: 0.6395780957632174

minimum gb energy = 0.6383516283919817 eV
minimum distance =  2.35381393727752 Angstroms
sigma value = 15


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

Energy: 1.5351227005466097
Energy: 0.7657827514737027
Energy: 0.5827026027746709
Energy: 0.621065933235338
Energy: 1.7560178034681178
Energy: 0.7866578078905231
Energy: 0.7460302041100889
Energy: 0.7866578166172529
Energy: 1.6441091733182662
Energy: 0.7904891559237364
Energy: 0.7451807913145725
Energy: 0.7904891562714563
Energy: 1.4082567459410487
Energy: 1.039168725118525
Energy: 1.04007536086597
Energy: 1.0391687251927697
Energy: 1.6496281816166662
Energy: 1.0350045753801695
Energy: 1.0378723899338373
Energy: 1.0350045753827086
Energy: 1.4022708110227424
Energy: 1.0983145744511391
Energy: 1.044823372226352
Energy: 1.0983145744511391
Energy: 1.179038835625239
Energy: 1.1117110481503745
Energy: 1.2785160814688443
Energy: 1.1117110481503745
Energy: 1.5873797701936085
Energy: 1.1025681728507333
Energy: 1.039139475999167
Energy: 1.1025681728500987
Energy: 1.1531623404549327
Energy: 1.1143941831098476
Energy: 1.2793960934519755
Energy: 1.1143941831104827
Energy: 1.15214548442461
Energy: 1.0945492075183665
Energy: 1.5230058210563386
Energy: 1.0945492075183665
Energy: 1.0348688307181815
Energy: 1.1064574573030677
Energy: 1.3759764456548267
Energy: 1.106457457389994
Energy: 0.8989573604037666
Energy: 1.038484567078898
Energy: 1.5238910136880692
Energy: 1.0384845670827072
Energy: 1.0399453086480046
Energy: 1.0367703244041906
Energy: 1.5220658872308221
Energy: 1.036770324402921
Energy: 0.7547232845054261
Energy: 0.8433034073574596
Energy: 1.3173862757994024
Energy: 0.8433034090554599
Energy: 0.73904053760629
Energy: 0.7946011568447542
Energy: 1.7551162373640334
Energy: 0.7946011568840983
Energy: 0.7540425892230714
Energy: 0.7928978477692251
Energy: 1.5247140343872199
Energy: 0.7928984891248947
Energy: 0.5799719347825221
Energy: 0.789886783892961
Energy: 1.5278334019122577
Energy: 0.7898867541466837
Energy: 0.5797353197936899
Energy: 0.5797720567400504
Energy: 1.915727040088418
Energy: 0.5797720567400504
Energy: 0.5809645785842165
Energy: 0.5798731408918802
Energy: 1.4278423729238714
Energy: 0.5798731408937848
Energy: 0.7550741641233847
Energy: 0.790704193721255
Energy: 1.6494532615184883
Energy: 0.7907041937459984
Energy: 0.7408248800144175
Energy: 0.7864027760364684
Energy: 1.779568012079542
Energy: 0.7864027760351987
Energy: 0.7440431424097029
Energy: 1.040459710363069
Energy: 1.4053236829881033
Energy: 1.0404597103611644
Energy: 1.041341595706393
Energy: 1.0363488166726018
Energy: 1.4007709254893956
Energy: 1.0363488166960757
Energy: 1.0395053828423906
Energy: 1.0490734601168792
Energy: 1.5242281706543956
Energy: 1.049073460117514
Energy: 1.041338129572756
Energy: 1.104319235663544
Energy: 1.1812642791828596
Energy: 1.1043192356622744
Energy: 1.2780539608617476
Energy: 1.0948672686264695
Energy: 1.5237200983734438
Energy: 1.0948672686264695
Energy: 1.0287949651023922
Energy: 1.1044227293744906
Energy: 1.279071802066364
Energy: 1.1044227293744906
Energy: 1.4135540149601098
Energy: 1.0995530824376387
Energy: 1.181709331018398
Energy: 1.0995530824376387
Energy: 1.2782471938767146
Energy: 1.0967527114609057
Energy: 1.2810205852525094
Energy: 1.0967527114609057
Energy: 1.2774549862496931
Energy: 1.1022510005662447
Energy: 1.0320397771644645
Energy: 1.10225100056561
Energy: 1.6471129385818037
Energy: 1.0362639558777988
Energy: 0.899244053901416
Energy: 1.0362639558904951
Energy: 1.316893032240726
Energy: 1.0581266913882204
Energy: 1.0380703513358571
Energy: 1.0581266911020486
Energy: 1.5220058837221977
Energy: 0.83954476407204
Energy: 0.7568146846631474
Energy: 0.8395447640726749
Energy: 1.7812591290355069
Energy: 0.7875913075401046
Energy: 0.7550513700592723
Energy: 0.7875913073294326
Energy: 1.5937078216027372
Energy: 0.7895298573902562
Energy: 0.7992904600407709
Energy: 0.7895298636296221
Energy: 1.7542438282151478
Energy: 0.5807893967351738
Energy: 0.5850004681576064
Energy: 0.5807893967351738
Energy: 1.6418459014920688
Energy: 0.5801003514867957
Energy: 0.579492225040332
Energy: 0.5801003514937787

minimum gb energy = 0.579492225040332 eV
minimum distance =  2.34889438977091 Angstroms
sigma value = 85


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

Energy: 1.7015979424139096
Energy: 0.5962015997744748
Energy: 0.527911189757758
Energy: 0.5965349372077078
Energy: 1.7975841951161236
Energy: 0.7113357495059128
Energy: 0.6672994521219301
Energy: 0.7113357495053624
Energy: 1.518941202021841
Energy: 0.7106163353198862
Energy: 0.6673415936569757
Energy: 0.7106163353270311
Energy: 1.3423357868283123
Energy: 0.8530002938716731
Energy: 0.9310634915994326
Energy: 0.8530002939085368
Energy: 1.6974195043045799
Energy: 0.9327307514027534
Energy: 0.9209079333629596
Energy: 0.9327307514027534
Energy: 1.3021809732246437
Energy: 0.9485120002947037
Energy: 0.9251624720805326
Energy: 0.9485120002947037
Energy: 1.3040532155386901
Energy: 1.0038227388889478
Energy: 1.142476638303326
Energy: 1.0038227388889478
Energy: 1.4885295100232572
Energy: 0.9982733182090746
Energy: 0.9877579620790877
Energy: 0.9982733182090746
Energy: 1.3045200412600344
Energy: 1.0202333378857749
Energy: 1.1477771690835232
Energy: 1.0202333378852242
Energy: 1.303837212358963
Energy: 1.0141885028975297
Energy: 1.3604460199036086
Energy: 1.0141885028975297
Energy: 1.1431284072914931
Energy: 1.024469342768324
Energy: 1.2720771158464301
Energy: 1.0244693427688747
Energy: 1.1002947859482246
Energy: 1.0150064662561895
Energy: 1.3606362168910902
Energy: 1.0150064662561895
Energy: 1.1434057684194523
Energy: 0.9940553292129385
Energy: 1.4132197214834512
Energy: 0.9940553292129385
Energy: 0.9204882098021998
Energy: 0.9990567016102132
Energy: 1.2257919405787558
Energy: 0.9990567016096626
Energy: 0.8656343330002076
Energy: 0.9256226922424416
Energy: 1.5731899816879833
Energy: 0.9256226922424416
Energy: 0.935453215949375
Energy: 0.9292783950805272
Energy: 1.4110753111484708
Energy: 0.9292783950805272
Energy: 0.6543070939285442
Energy: 0.6710551217266901
Energy: 1.4112921518627273
Energy: 0.6710551217272407
Energy: 0.6570715362254181
Energy: 0.640793882623862
Energy: 1.804749628644923
Energy: 0.6407938827548366
Energy: 0.6542882973436951
Energy: 0.6500821449637854
Energy: 1.6268063683080098
Energy: 0.6500817051105786
Energy: 0.5963193002251417
Energy: 0.6191314260498645
Energy: 1.6224523323679287
Energy: 0.61913142604327
Energy: 0.5947414315160452
Energy: 0.6161785160443495
Energy: 1.856098792840848
Energy: 0.6161785160421471
Energy: 0.6006558844194865
Energy: 0.6177695428334352
Energy: 1.4655419770724616
Energy: 0.6177695428328845
Energy: 0.7355330089387279
Energy: 0.7990041617983926
Energy: 1.6746932170708584
Energy: 0.7990041617978421
Energy: 0.7372768998140005
Energy: 0.7951289946538722
Energy: 1.675873558731092
Energy: 0.7951289946533217
Energy: 0.7363369890818826
Energy: 0.7975278077460075
Energy: 1.3431555548469518
Energy: 0.7975278081472025
Energy: 0.906678149850351
Energy: 0.8747939326022109
Energy: 1.7264488834084177
Energy: 0.8747939326022109
Energy: 0.906792919663933
Energy: 0.8985932332387269
Energy: 1.520163416189087
Energy: 0.8985932332387269
Energy: 1.1462396829754464
Energy: 0.9115375862894559
Energy: 1.3444188146598754
Energy: 0.9115375862338727
Energy: 1.1443422586625163
Energy: 0.9893773084604152
Energy: 1.5866009296486687
Energy: 0.9893773084604152
Energy: 1.1444940986457122
Energy: 1.0100876704025137
Energy: 1.3044770010073676
Energy: 1.0100876704030641
Energy: 1.3616466327807242
Energy: 1.0116785828541293
Energy: 1.1074501317748868
Energy: 1.0116785828541293
Energy: 1.2009000077347438
Energy: 1.012280043460545
Energy: 1.3599651314015162
Energy: 1.012280043460545
Energy: 1.3620380904221752
Energy: 1.0140094863591138
Energy: 1.0842679877011505
Energy: 1.0140094863596643
Energy: 1.5761289455362506
Energy: 0.9952419071477903
Energy: 1.0835676727224384
Energy: 0.9952419071472398
Energy: 1.2525982991125468
Energy: 0.9990764156701893
Energy: 0.9254147436422417
Energy: 0.999076415671841
Energy: 1.5757815393837176
Energy: 0.946915026505146
Energy: 0.9245814053643928
Energy: 0.9469150265045955
Energy: 1.6239287521046544
Energy: 0.9358607616563056
Energy: 0.9219775827556569
Energy: 0.9358607616563056
Energy: 1.459498022597837
Energy: 0.7082401542303141
Energy: 0.6720314473258409
Energy: 0.7082401540079813
Energy: 1.7957700965926744
Energy: 0.7077102883023547
Energy: 0.667306867173085
Energy: 0.7077102882907927
Energy: 1.626898518589529
Energy: 0.7108403895703185
Energy: 0.6722368728585769
Energy: 0.7108403895461056
Energy: 1.4568074937075486
Energy: 0.6233900353474181
Energy: 0.526302220421661
Energy: 0.6233900800563699
Energy: 1.9124007350814536
Energy: 0.5261599902853002
Energy: 0.5266015012198321
Energy: 0.5261599902853002
Energy: 1.5185319742467647
Energy: 0.5283133440967648
Energy: 0.5276413703546711
Energy: 0.5283133440973155

minimum gb energy = 0.5261599902853002 eV
minimum distance =  2.33984478566474 Angstroms
sigma value = 113


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

Energy: 0.006287338784871893
Energy: 0.48006646044176887
Energy: 1.2304766014412316
Energy: 0.006707501760136972
Energy: 0.868054057929441
Energy: 0.11197025212873579
Energy: 0.9706671742634602
Energy: 0.11197025212873579
Energy: 0.006552830513693875
Energy: 0.11098023499815865
Energy: 0.9709610365315372
Energy: 0.11098023499774715
Energy: 0.007677092117554529
Energy: 0.2159228155745307
Energy: 1.0108781029022746
Energy: 0.2159131094709457
Energy: 0.9722881184811516
Energy: 0.1109153432085418
Energy: 0.8686448229514508
Energy: 0.1109153432085418
Energy: 0.006540160066757133
Energy: 0.21564780679613585
Energy: 0.9703856911435632
Energy: 0.21564780679654735

minimum gb energy = 0.006287338784871893 eV
minimum distance =  2.37246865996607 Angstroms
sigma value = 1