Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.653344042599202
cohesive_energy=3.2744465747796214
mass=63.546
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=[1.5096861812724478e-19, 2.11802944484898e-19, 2.5767967022285396e-19, 2.95108118569728e-19, 3.2700104664613194e-19, 3.5425727554374e-19, 3.7781568077007597e-19, 3.9831232644883795e-19, 4.1672133597349793e-19, 4.3338717732036597e-19, 4.48095158820486e-19, 4.61056767789546e-19, 4.72445039304018e-19, 4.8239936273106e-19, 4.910431056714899e-19, 4.98512453139198e-19, 5.05018892449872e-19, 5.104839169484459e-19, 5.1497161370028e-19, 5.185412632408319e-19, 5.21242533045756e-19, 5.231218862374379e-19, 5.2422418376163e-19, 5.24583071327646e-19, 5.24195344582218e-19, 5.234391172109699e-19, 5.221493650205999e-19, 5.197509065995019e-19, 5.160322546319879e-19, 5.1073385650335e-19, 5.0354969647649395e-19, 4.941000586891619e-19, 4.819203119174939e-19, 4.6658427717684595e-19, 4.47276446560512e-19, 4.2309479462355e-19, 3.929145933688919e-19, 3.5530830341564396e-19, 3.09651075876546e-19, 2.5270010524438196e-19, 1.8124302736798198e-19, 9.164882934171178e-20, -2.1488072579881195e-20, -1.6644372179972398e-19, -3.52738412094708e-19, -5.970959836058519e-19, -9.21629678235624e-19, -1.3593571520574957e-18, -1.96825797310266e-18, -2.84253371874378e-18, -4.14992587385412e-18, -6.2097963068889e-18, -9.70465624216578e-18, -1.6327942294757398e-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: 0.012364439385763605
Energy: 0.13787155881448884
Energy: 1.1638795263194066
Energy: 0.012798208246916907
Energy: 0.13787155881448884
Energy: 1.29567549543621
Energy: 0.012798208246916907
Energy: 1.2956754958491368
Energy: 1.1638795263194066
Energy: 0.012798208246336906
Energy: 0.012364439386377725
Energy: 0.13787155881448884
Energy: 0.012798208246916907
Energy: 1.2956754959709715
Energy: 0.13787155881448884
Energy: 1.2956754956630587

minimum gb energy = 0.012364439385763605 eV
minimum distance =  2.48743706338959 Angstroms
sigma value = 1


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

Energy: 1.327678416570508
Energy: 1.1484167614458605
Energy: 1.149967604727852
Energy: 1.091325809687865
Energy: 1.146808230474302
Energy: 1.2024224680016247
Energy: 1.1490926459358934
Energy: 1.2024224680016247
Energy: 1.1450943474911226
Energy: 1.1427548979076283
Energy: 1.1565928323223884
Energy: 1.1427548979068836
Energy: 1.1424526526119028
Energy: 1.168974579987405
Energy: 1.154718531254553
Energy: 1.1689745799866604
Energy: 1.2160332172808412
Energy: 1.1552093860058694
Energy: 1.1533047759618789
Energy: 1.1552093860066144
Energy: 1.1505862954159094
Energy: 1.294147291152227
Energy: 1.1546363822990806
Energy: 1.294147291151482
Energy: 1.1512216653143228
Energy: 1.3094290348392368
Energy: 1.2152837928141627
Energy: 1.3094290348392368
Energy: 1.2152926045446864
Energy: 1.349188098238024
Energy: 1.1561373285120864
Energy: 1.349188098238024
Energy: 1.158214210631563
Energy: 1.347187224706091
Energy: 1.1533574692801956
Energy: 1.3471872247046015
Energy: 1.215635470668441
Energy: 1.3456734914145083
Energy: 1.2168229905095027
Energy: 1.3456734914137638
Energy: 1.2120663557774338
Energy: 1.3468363938562689
Energy: 1.1589034539123706
Energy: 1.3468363938570136
Energy: 1.214787416834567
Energy: 1.3455722160805113
Energy: 1.155832375686995
Energy: 1.3455722160805113
Energy: 1.1514657586223147
Energy: 1.293720769752083
Energy: 1.2123671496735433
Energy: 1.2937207697498485
Energy: 1.15127009671533
Energy: 1.2944009815694615
Energy: 1.2133035105372878
Energy: 1.2944009815687167
Energy: 1.2133440690247814
Energy: 1.1563180316961477
Energy: 1.1539540895316343
Energy: 1.1563180316961477
Energy: 1.0871583132024982
Energy: 1.1681299962481606
Energy: 1.1529803931154092
Energy: 1.1681299962474159
Energy: 1.1438707720345451
Energy: 1.1415871180721457
Energy: 1.0874170149172127
Energy: 1.1415871180714008
Energy: 1.1460467506587428
Energy: 1.154767685149333
Energy: 1.2099875979543762
Energy: 1.154767685149333
Energy: 1.1564122291659629
Energy: 1.1463657717902396
Energy: 1.1465485337505217
Energy: 1.1463657717902396
Energy: 1.1464289994544574
Energy: 1.1570706111311269
Energy: 1.1437485143578612
Energy: 1.1570706111288926
Energy: 1.1536403139318032
Energy: 1.1528239139233254
Energy: 1.215985697626686
Energy: 1.1528239139255259
Energy: 1.1552255585990838
Energy: 1.1506357560989104
Energy: 1.1506505422931455
Energy: 1.150635756097421
Energy: 1.2152471086919565
Energy: 1.2921609744318656
Energy: 1.1500149165493576
Energy: 1.2921609744318656
Energy: 1.1544620411143345
Energy: 1.2894135290229563
Energy: 1.1504361240551984
Energy: 1.2894135290214666
Energy: 1.1532925828267973
Energy: 1.3472456234738337
Energy: 1.1614587144429598
Energy: 1.3472456234730892
Energy: 1.1549370906168694
Energy: 1.3450968746827296
Energy: 1.217296056958173
Energy: 1.3450968746834748
Energy: 1.1561567032220605
Energy: 1.3468284236472285
Energy: 1.2119653923446705
Energy: 1.3468284236472285
Energy: 1.1587458905638455
Energy: 1.3455443456386658
Energy: 1.2157005559628242
Energy: 1.3455443456379212
Energy: 1.2125741691705927
Energy: 1.306642518268111
Energy: 1.15305767040737
Energy: 1.3066425182688557
Energy: 1.2143035644702822
Energy: 1.3355638076576448
Energy: 1.151975416137474
Energy: 1.3355638076576448
Energy: 1.1542613130072565
Energy: 1.1563982257511833
Energy: 1.213695235429692
Energy: 1.1563982257519279
Energy: 1.1528377396499896
Energy: 1.151519725200515
Energy: 1.0871048206138632
Energy: 1.1515197251982803
Energy: 1.086834702903195
Energy: 1.1416131304027224
Energy: 1.1413856996477627
Energy: 1.1416131304027224

minimum gb energy = 1.086834702903195 eV
minimum distance =  2.31212376999438 Angstroms
sigma value = 1


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

Energy: 1.3755968559080884
Energy: 1.2357688008236547
Energy: 1.2369026027853816
Energy: 1.1719081271989553
Energy: 1.234983427526117
Energy: 1.2910125102560108
Energy: 1.2344405446968316
Energy: 1.2910125102551613
Energy: 1.2290836401148706
Energy: 1.2291295998430665
Energy: 1.245230371913149
Energy: 1.2291295998422174
Energy: 1.2289864150507843
Energy: 1.2406665980468456
Energy: 1.2429536966305053
Energy: 1.2406665980425997
Energy: 1.2441538265192345
Energy: 1.2431442421600587
Energy: 1.2423715414097214
Energy: 1.2431442421600587
Energy: 1.235959635858268
Energy: 1.4154506810596221
Energy: 1.2422013182918612
Energy: 1.4154506810579237
Energy: 1.23910554049135
Energy: 1.3996245572121404
Energy: 1.2432448521536996
Energy: 1.399624557211291
Energy: 1.2368531675757213
Energy: 1.3931421881766386
Energy: 1.2441805073721375
Energy: 1.3931421881766386
Energy: 1.2449487350781991
Energy: 1.4477490825345687
Energy: 1.1654150650183142
Energy: 1.4477490825311718
Energy: 1.244042088884375
Energy: 1.447266329598942
Energy: 1.3098147849885393
Energy: 1.447266329598093
Energy: 1.3053594709300906
Energy: 1.400747244923623
Energy: 1.2398045427712294
Energy: 1.400747244923623
Energy: 1.3051751013780173
Energy: 1.4007042942074959
Energy: 1.2362420094128066
Energy: 1.4007042942100436
Energy: 1.2434860967284762
Energy: 1.2431527964515423
Energy: 1.3055064385893784
Energy: 1.2431527964532407
Energy: 1.2423807091911596
Energy: 1.2400048225348914
Energy: 1.1658657991090549
Energy: 1.2400048225348914
Energy: 1.1657274184626312
Energy: 1.228202986815513
Energy: 1.2297340774054555
Energy: 1.228202986815513
Energy: 1.3056483532620458
Energy: 1.2384221777363795
Energy: 1.2344358740245374
Energy: 1.2384221777338322
Energy: 1.235155436902393
Energy: 1.2287971856798223
Energy: 1.2448816517958827
Energy: 1.2287971856764257
Energy: 1.2294916944266
Energy: 1.237029613112519
Energy: 1.2356139032169928
Energy: 1.2370296131099712
Energy: 1.2445454390548478
Energy: 1.2394880439396865
Energy: 1.2431527836997427
Energy: 1.2394880439388374
Energy: 1.237235145285827
Energy: 1.2400247118527599
Energy: 1.2428758987464104
Energy: 1.2400247118553074
Energy: 1.2378868400561664
Energy: 1.3999517427853043
Energy: 1.2430053473626477
Energy: 1.399951742780209
Energy: 1.2384978185631026
Energy: 1.4191958808900411
Energy: 1.242629419941
Energy: 1.4191958808857952
Energy: 1.2423991057204917
Energy: 1.4479518735449377
Energy: 1.1658441552523309
Energy: 1.4479518735440884
Energy: 1.243849849947051
Energy: 1.4469433401530147
Energy: 1.2462510814243946
Energy: 1.446943340151316
Energy: 1.3057139053962457
Energy: 1.4182897803553547
Energy: 1.2382384213941808
Energy: 1.4182897803528072
Energy: 1.3058431609790402
Energy: 1.4194249664982925
Energy: 1.2383225425912512
Energy: 1.4194249664957448
Energy: 1.2446648979048194
Energy: 1.2642371962460692
Energy: 1.3059713117075273
Energy: 1.2642371962486167
Energy: 1.2424261370127956
Energy: 1.2437111640948568
Energy: 1.1654751132335457
Energy: 1.2437111640906109
Energy: 1.1657318512431976
Energy: 1.2281856285498451
Energy: 1.2286575566808822
Energy: 1.2281856285515433

minimum gb energy = 1.1654150650183142 eV
minimum distance =  2.31187477455863 Angstroms
sigma value = 25


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

Energy: 2.1673534146882654
Energy: 1.3392443068543236
Energy: 1.3397897736384585
Energy: 1.2673411345504206
Energy: 1.3384885333889123
Energy: 1.3926980327638485
Energy: 1.338430881789575
Energy: 1.3926980327638485
Energy: 1.3307937594003725
Energy: 1.3308647806655889
Energy: 1.2804684092430092
Energy: 1.3308647806655889
Energy: 1.3302838576459215
Energy: 1.2610971991764977
Energy: 1.2801859137571512
Energy: 1.2610971991764977
Energy: 1.2791929705949487
Energy: 1.3479636084673832
Energy: 1.347585271583994
Energy: 1.3479636084673832
Energy: 1.2607045990109813
Energy: 1.4551287337576002
Energy: 1.2805534441970843
Energy: 1.455128733756613
Energy: 1.3418418490803827
Energy: 1.559087825610404
Energy: 1.3405109530681998
Energy: 1.5590878256094167
Energy: 1.2624407869904115
Energy: 1.4406011539196444
Energy: 1.2801694678855493
Energy: 1.4406011539196444
Energy: 1.3402811323887591
Energy: 1.5575943157979637
Energy: 1.2586660116507473
Energy: 1.5575943157969765
Energy: 1.2604234354126245
Energy: 1.5591288751423937
Energy: 1.2824475264078588
Energy: 1.5591288751423937
Energy: 1.2587490150360314
Energy: 1.3483891927668026
Energy: 1.3493631497401843
Energy: 1.3483891927658154
Energy: 1.2579772722541567
Energy: 1.3489661578841787
Energy: 1.2803553674882024
Energy: 1.348966157885166
Energy: 1.332023206471027
Energy: 1.3295970318565882
Energy: 1.2580934527496705
Energy: 1.3295970318565882
Energy: 1.3382415554021396
Energy: 1.2627208869822333
Energy: 1.332961370970084
Energy: 1.2627208869822333
Energy: 1.2801175227206862
Energy: 1.329396119772701
Energy: 1.3388940996379337
Energy: 1.329396119773688
Energy: 1.3308762410146553
Energy: 1.2633152532888234
Energy: 1.3307147247951234
Energy: 1.2633152532898106
Energy: 1.3480918821632244
Energy: 1.2614264299571334
Energy: 1.2792028189174753
Energy: 1.2614264299591076
Energy: 1.280137311027929
Energy: 1.340036441792284
Energy: 1.2620924380433736
Energy: 1.340036441792284
Energy: 1.340931322132688
Energy: 1.5609686688785909
Energy: 1.340166192918322
Energy: 1.5609686688785909
Energy: 1.2813846817999845
Energy: 1.5585638037703753
Energy: 1.3388639676120473
Energy: 1.5585638037703753
Energy: 1.2590075222742392
Energy: 1.5568226909631508
Energy: 1.3398543223597514
Energy: 1.556822690964138
Energy: 1.2573683918983127
Energy: 1.557661667039007
Energy: 1.2615079616737517
Energy: 1.5576616670380201
Energy: 1.348326266089205
Energy: 1.3782962757446964
Energy: 1.2581556373413751
Energy: 1.3782962757456836
Energy: 1.280060069065454
Energy: 1.3495511285602613
Energy: 1.2578875598980215
Energy: 1.3495511285612485
Energy: 1.2584486792290734
Energy: 1.3293554167810766
Energy: 1.3298565070642985
Energy: 1.3293554167800894

minimum gb energy = 1.2573683918983127 eV
minimum distance =  2.31126310488786 Angstroms
sigma value = 9


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

Energy: 2.0372521472823655
Energy: 1.4478873659552636
Energy: 1.4611947542627812
Energy: 1.3772142788687765
Energy: 1.4609530150351935
Energy: 1.507737125918025
Energy: 1.462685867302134
Energy: 1.5077371259192025
Energy: 1.4477879531665363
Energy: 1.4490285306215023
Energy: 1.46273037508178
Energy: 1.44902853062268
Energy: 1.4480525408619758
Energy: 1.5085441494848078
Energy: 1.4755019088471328
Energy: 1.5085441494848078
Energy: 1.4710984970274374
Energy: 1.475140906576492
Energy: 1.4737554222020353
Energy: 1.475140906575314
Energy: 1.4592882472769888
Energy: 1.4599333213992087
Energy: 1.4740296304022762
Energy: 1.4599333214003862
Energy: 1.5513124576653943
Energy: 1.6992737906445496
Energy: 1.4752730258908324
Energy: 1.6992737906433721
Energy: 1.4749776144088291
Energy: 1.6737166705904356
Energy: 1.4747986691206323
Energy: 1.6737166705916136
Energy: 1.4738676291617503
Energy: 1.476134737046998
Energy: 1.3641705908489727
Energy: 1.4761347370446427
Energy: 1.4753742456310093
Energy: 1.5130621384265914
Energy: 1.3632889209039103
Energy: 1.5130621384265914
Energy: 1.3624602689210272
Energy: 1.4478093609765572
Energy: 1.4478762718408877
Energy: 1.4478093609753795
Energy: 1.5256195951855627
Energy: 1.4598473681244946
Energy: 1.46241832249163
Energy: 1.4598473681256723
Energy: 1.4609620693240974
Energy: 1.4478383926242713
Energy: 1.4631078355331573
Energy: 1.4478383926230938
Energy: 1.448454304096922
Energy: 1.459133350953025
Energy: 1.4493561076704558
Energy: 1.459133350953025
Energy: 1.4710731362142533
Energy: 1.4599670185606948
Energy: 1.4736247474287916
Energy: 1.4599670185583395
Energy: 1.4596223937275379
Energy: 1.5568193485183806
Energy: 1.4730557580026111
Energy: 1.5568193485207358
Energy: 1.5510017302891215
Energy: 1.700790190732911
Energy: 1.475194119926539
Energy: 1.7007901907352663
Energy: 1.5508914868564043
Energy: 1.7007968173476702
Energy: 1.4742590978477597
Energy: 1.700796817345315
Energy: 1.4757655196422823
Energy: 1.5373630200209378
Energy: 1.363241701128764
Energy: 1.53736302001976
Energy: 1.475567518563601
Energy: 1.4758069025039888
Energy: 1.363129680619399
Energy: 1.4758069023333138
Energy: 1.362350764992183
Energy: 1.4477210786898793
Energy: 1.44799382779534
Energy: 1.4477210786898793

minimum gb energy = 1.362350764992183 eV
minimum distance =  2.30513159976187 Angstroms
sigma value = 25


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

Energy: 1.8370704744314559
Energy: 1.5865514815780537
Energy: 1.608546077426278
Energy: 1.497734799195501
Energy: 1.604925661823602
Energy: 1.5968175723793165
Energy: 1.6063500670292203
Energy: 1.5968175723778602
Energy: 1.5880364028906988
Energy: 1.5886503315763079
Energy: 1.6023361284814919
Energy: 1.5886503315763079
Energy: 1.5895157265348254
Energy: 1.5966274752829384
Energy: 1.5248552856295656
Energy: 1.5966274752829384
Energy: 1.5181694598163533
Energy: 1.6981372223622873
Energy: 1.523165018831157
Energy: 1.6981372223622873
Energy: 1.4904293279476102
Energy: 1.7024731995624913
Energy: 1.5227154967887389
Energy: 1.7024731995624913
Energy: 1.4829345981232507
Energy: 1.6915943441553054
Energy: 1.5242269058805273
Energy: 1.691594344153849
Energy: 1.4824061169629958
Energy: 1.6930145310662312
Energy: 1.523781381589413
Energy: 1.6930145310647748
Energy: 1.5865006878829064
Energy: 1.586746287911221
Energy: 1.6827308436071302
Energy: 1.5867462879126775
Energy: 1.6054745802877508
Energy: 1.5874113908822804
Energy: 1.6792153792937903
Energy: 1.5874113908822804
Energy: 1.602155968510178
Energy: 1.5870418415807304
Energy: 1.6043208927887027
Energy: 1.5870418415807304
Energy: 1.5857040237980669
Energy: 1.5871684857350288
Energy: 1.5874700944565285
Energy: 1.5871684857350288
Energy: 1.5235899543616327
Energy: 1.7029752297148901
Energy: 1.5178613469860265
Energy: 1.7029752297148901
Energy: 1.5230557248360377
Energy: 1.6905537453919055
Energy: 1.4920456706214569
Energy: 1.6905537453919055
Energy: 1.5245794647484694
Energy: 1.6882990459704907
Energy: 1.4827310486551828
Energy: 1.6882990459690341
Energy: 1.523811009064511
Energy: 1.6898897425845265
Energy: 1.4833805748906668
Energy: 1.6898897425845265
Energy: 1.6836904213475608
Energy: 1.5863251331464139
Energy: 1.5859948657441856
Energy: 1.5863251331464139

minimum gb energy = 1.4824061169629958 eV
minimum distance =  2.30426830656597 Angstroms
sigma value = 17


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

Energy: 2.405805840035346
Energy: 1.7385274009487184
Energy: 1.7402734623332985
Energy: 1.6510621737707574
Energy: 1.5613118907064556
Energy: 1.7187121846046085
Energy: 1.6630325577131286
Energy: 1.7187121846037836
Energy: 1.5859644524388359
Energy: 1.5858311501718898
Energy: 1.7283526772141042
Energy: 1.5858311501727147
Energy: 1.5863177169558802
Energy: 1.5874392176490872
Energy: 1.5847545073430889
Energy: 1.5874392176507368
Energy: 1.587971079380066
Energy: 1.6754489110871829
Energy: 1.5306416811023975
Energy: 1.6754489110855706
Energy: 1.5841250767092214
Energy: 1.6223935736281605
Energy: 1.5861769456036297
Energy: 1.6223935736281605
Energy: 1.6348912068708294
Energy: 1.5837421055088359
Energy: 1.5872123348201506
Energy: 1.5837421055104857
Energy: 1.781727441862316
Energy: 1.5836958861088941
Energy: 1.5602682280602334
Energy: 1.5836958861088941
Energy: 1.729560464950491
Energy: 1.7100828539962232
Energy: 1.729281536933136
Energy: 1.7100828539962232
Energy: 1.7103950797046232
Energy: 1.7098269751555801
Energy: 1.6628201019230886
Energy: 1.7098269751555801
Energy: 1.5836202664451144
Energy: 1.5349209267936421
Energy: 1.5557853764858105
Energy: 1.5349209267919925
Energy: 1.7111583554635885
Energy: 1.5607426912237952
Energy: 1.561500669223662
Energy: 1.5607426912246198
Energy: 1.6346880145289306
Energy: 1.561523518648924
Energy: 1.5613800533392987
Energy: 1.5615235186497487
Energy: 1.6360812624583034
Energy: 1.5612203171016779
Energy: 1.557342108186249
Energy: 1.5612203171025028
Energy: 1.7095411412531913
Energy: 1.7092447611451664
Energy: 1.784988701223874
Energy: 1.709244761146816
Energy: 1.7297748425087003
Energy: 1.7093790201652754
Energy: 1.7854711852595966
Energy: 1.7093790201652754
Energy: 1.711831210248696
Energy: 1.5838486435535168
Energy: 1.5860441877422953
Energy: 1.5838486435535168
Energy: 1.7121294105851441
Energy: 1.5838513254714823
Energy: 1.5826327519948413
Energy: 1.5838513254714823
Energy: 1.5846714012895946
Energy: 1.6794519513900448
Energy: 1.587330233454929
Energy: 1.6794519513900448
Energy: 1.532115887723266
Energy: 1.6208977764006627
Energy: 1.586639198712431
Energy: 1.6208977763998378
Energy: 1.5841695576550612
Energy: 1.58467849540034
Energy: 1.7815313878743522
Energy: 1.5846784954019895
Energy: 1.5867934454116135
Energy: 1.6003107561841663
Energy: 1.6342497823099233
Energy: 1.6003107561849912
Energy: 1.6624968573500691
Energy: 1.7102442229296606
Energy: 1.6616106571093234
Energy: 1.7102442229296606
Energy: 1.7316279875227545
Energy: 1.7102094983635547
Energy: 1.7106780525039518
Energy: 1.7102094983643796
Energy: 1.5605988490994922
Energy: 1.5614754753558806
Energy: 1.7107692582837553
Energy: 1.5614754753558806
Energy: 1.561995957171711
Energy: 1.5619856621566768
Energy: 1.5835033090284227
Energy: 1.5619856621558519
Energy: 1.5555216282624817
Energy: 1.5589134065569215
Energy: 1.6371217426042717
Energy: 1.5589134065569215
Energy: 1.5598614663838606
Energy: 1.5616340090482825
Energy: 1.6360203090841159
Energy: 1.561634009051582
Energy: 1.5607346854085067
Energy: 1.5617455856808393
Energy: 1.634656902810619
Energy: 1.5617455856800146
Energy: 1.7865285339036443
Energy: 1.7108955142265023
Energy: 1.7097690849199203
Energy: 1.7108955142256772

minimum gb energy = 1.5306416811023975 eV
minimum distance =  2.31196381871335 Angstroms
sigma value = 53


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

Energy: 2.2183255947389307
Energy: 1.6782314969404826
Energy: 1.6824344086173935
Energy: 1.5334287691203048
Energy: 1.676655264667217
Energy: 1.6188894027362637
Energy: 1.6744193647589973
Energy: 1.6188894027362637
Energy: 1.6794940576655415
Energy: 1.6772408742713742
Energy: 1.6862748340400409
Energy: 1.6772408742713742
Energy: 1.6780163189645965
Energy: 1.6187696791420314
Energy: 1.6728215473011114
Energy: 1.6187696791420314
Energy: 1.6954842474645104
Energy: 1.6188039657292883
Energy: 1.5195848830118848
Energy: 1.6188039657292883
Energy: 1.6769904567763894
Energy: 1.6218560773526156
Energy: 1.5204053290840074
Energy: 1.6218560773545145
Energy: 1.8084382089988065
Energy: 1.671951802495965
Energy: 1.6753206041641702
Energy: 1.671951802495965
Energy: 1.8081586777500875
Energy: 1.669518442462844
Energy: 1.669530259919019
Energy: 1.669518442462844
Energy: 1.6768611670173916
Energy: 1.6746815623287183
Energy: 1.6863328610997546
Energy: 1.6746815623268194
Energy: 1.673929609638495
Energy: 1.671127194309185
Energy: 1.6767351159459603
Energy: 1.671127194309185
Energy: 1.6958762334061188
Energy: 1.6247442028307257
Energy: 1.5183039383475254
Energy: 1.6247442028307257
Energy: 1.6773185748820358
Energy: 1.6181630319938545
Energy: 1.518012517299721
Energy: 1.6181630319957534
Energy: 1.808406356408021
Energy: 1.6698511845961168
Energy: 1.6687547302022105
Energy: 1.6698511845961168

minimum gb energy = 1.518012517299721 eV
minimum distance =  2.29899099624186 Angstroms
sigma value = 9


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

Energy: 2.127598282263984
Energy: 1.7704673413817933
Energy: 1.839770199611863
Energy: 1.6989187895994988
Energy: 1.5966005959661218
Energy: 1.594262762644657
Energy: 1.7911634436864248
Energy: 1.594262762643954
Energy: 1.5897807940535897
Energy: 1.5908287001916754
Energy: 1.7691346939555537
Energy: 1.5908287001916754
Energy: 1.5973084422066912
Energy: 1.5939564219735611
Energy: 1.8595995640169645
Energy: 1.5939564219735611
Energy: 1.5955116343207907
Energy: 1.5935540460288378
Energy: 1.8572282340039412
Energy: 1.5935540460295405
Energy: 1.5952332202740656
Energy: 1.5938343062245248
Energy: 1.8570998030378367
Energy: 1.5938343062252276
Energy: 1.8010576153117306
Energy: 1.7696896779146816
Energy: 1.7914381149151055
Energy: 1.7696896779139786
Energy: 1.7902895600630642
Energy: 1.7688565349609249
Energy: 1.7698619389299908
Energy: 1.7688565349602223
Energy: 1.6325287158869708
Energy: 1.709200035913385
Energy: 1.655927079108616
Energy: 1.7092000359112764
Energy: 1.6049320704446326
Energy: 1.6613086887202608
Energy: 1.77303952751065
Energy: 1.661308688722337
Energy: 1.6283191238843182
Energy: 1.6285943175636584
Energy: 1.7436066450051717
Energy: 1.6285943175629556
Energy: 1.6544830851499126
Energy: 1.6312772881109534
Energy: 1.8588364533874255
Energy: 1.6312772881116562
Energy: 1.789293797456106
Energy: 1.6286438995338606
Energy: 1.6635685935491595
Energy: 1.6286438995338606
Energy: 1.788868313504582
Energy: 1.629885716167265
Energy: 1.6346886668920295
Energy: 1.6298857161679678
Energy: 1.768644998478315
Energy: 1.633792075323466
Energy: 1.6331684055138627
Energy: 1.6337920753241688
Energy: 1.6784820170102375
Energy: 1.7967170054190913
Energy: 1.6322633941453006
Energy: 1.7967170054190913
Energy: 1.7741891544392632
Energy: 1.7175485041457779
Energy: 1.6338629763389294
Energy: 1.7175485041450749
Energy: 1.7689441092441953
Energy: 1.771851863274643
Energy: 1.861660786115681
Energy: 1.7718518632739402
Energy: 1.7909585125869307
Energy: 1.8184657990388249
Energy: 1.6463388883790144
Energy: 1.8184657990388249
Energy: 1.7694356915254446
Energy: 1.5906637619834656
Energy: 1.5897812911739404
Energy: 1.5906637619841686
Energy: 1.8607592385740146
Energy: 1.595442584392799
Energy: 1.5969643206544628
Energy: 1.595442584392096
Energy: 1.8570636787133599
Energy: 1.5929942958555083
Energy: 1.5939198163009975
Energy: 1.5929942958906482
Energy: 1.8573194216261912
Energy: 1.5946739006203332
Energy: 1.5947966974572005
Energy: 1.5946739006217387
Energy: 1.7928750153410056
Energy: 1.7691160223608857
Energy: 1.7890002120562187
Energy: 1.7691160223608857
Energy: 1.7704073850097688
Energy: 1.768471321970623
Energy: 1.7900796979676508
Energy: 1.7684713219699202
Energy: 1.653184914302079
Energy: 1.723893236623447
Energy: 1.63108798718967
Energy: 1.7238932366227442
Energy: 1.769887233856258
Energy: 1.6610478412394283
Energy: 1.6044877273293991
Energy: 1.6610478412345087
Energy: 1.7416586763889388
Energy: 1.6291420070302425
Energy: 1.6296472324454923
Energy: 1.6291420070302425
Energy: 1.858641733777962
Energy: 1.63321778267164
Energy: 1.631560175952816
Energy: 1.6332177826709373
Energy: 1.6652475076385913
Energy: 1.6287818022436868
Energy: 1.788883479437433
Energy: 1.6287818022436868
Energy: 1.6343338448761784
Energy: 1.6309224817422996
Energy: 1.7708515672794103
Energy: 1.6309224817408945
Energy: 1.6319756770424771
Energy: 1.6347889954312822
Energy: 1.7693675940561666
Energy: 1.6347889954312822
Energy: 1.6330871165308167
Energy: 1.8168392261128563
Energy: 1.6779286992907485
Energy: 1.8168392261128563
Energy: 1.6322889576810549
Energy: 1.7193100868001907
Energy: 1.6847332075384611
Energy: 1.7193100868008935
Energy: 1.8617276402911638
Energy: 1.770982990445385
Energy: 1.768730951383379
Energy: 1.7709829904439796

minimum gb energy = 1.5897807940535897 eV
minimum distance =  2.28508947959089 Angstroms
sigma value = 73


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

Energy: 2.3493692390643366
Energy: 1.7073564715932488
Energy: 1.7099126660714434
Energy: 1.6465672951856276
Energy: 1.6098950907810199
Energy: 1.6038342094444968
Energy: 1.8360866159726956
Energy: 1.6038342094378064
Energy: 1.5973306800084845
Energy: 1.5983259100202698
Energy: 1.753899293379
Energy: 1.5983259100224998
Energy: 1.5992813054226294
Energy: 1.601191652269248
Energy: 1.8375042426097357
Energy: 1.601191652269248
Energy: 1.602263553562094
Energy: 1.6043078148612349
Energy: 1.809573973001033
Energy: 1.6043078148612349
Energy: 1.6620700283500307
Energy: 1.6033466342820506
Energy: 1.8100831006701095
Energy: 1.6033466342820506
Energy: 1.7013464310258957
Energy: 1.7601154001406534
Energy: 1.7822397916977335
Energy: 1.7601154001406534
Energy: 1.69759321315541
Energy: 1.7568263523698338
Energy: 1.757021184056888
Energy: 1.7568263523720637
Energy: 1.6626297049767123
Energy: 1.875198129860528
Energy: 1.7587100069244799
Energy: 1.8751981298594131
Energy: 1.6226273909608686
Energy: 1.5694848154638492
Energy: 1.7617916140138763
Energy: 1.5694848154660794
Energy: 1.6842159457636352
Energy: 1.5676477835623035
Energy: 1.7601368772254327
Energy: 1.5676477835611884
Energy: 1.6609135775680441
Energy: 1.573402439541472
Energy: 1.8303624590676029
Energy: 1.573402439541472
Energy: 1.754407771416822
Energy: 1.6754020117382997
Energy: 1.6514533995611977
Energy: 1.6754020117382997
Energy: 1.7543473480613203
Energy: 1.6429153748703544
Energy: 1.6398973129245629
Energy: 1.6429153748714693
Energy: 1.7901511358948878
Energy: 1.6407346763956037
Energy: 1.6399883284181223
Energy: 1.6407346763967185
Energy: 1.8228592703994055
Energy: 1.6411653753490725
Energy: 1.640274468558168
Energy: 1.6411653753490725
Energy: 1.8086378315514007
Energy: 1.6422958768175964
Energy: 1.6421377027825255
Energy: 1.6422958768153664
Energy: 1.7417655736888267
Energy: 1.811180590236619
Energy: 1.8266752651413884
Energy: 1.8111805902355294
Energy: 1.7174940682804059
Energy: 1.717645593255562
Energy: 1.6975629767495934
Energy: 1.717645593255562
Energy: 1.7177596989514836
Energy: 1.7072329340030254
Energy: 1.7083570241594062
Energy: 1.7072329340030254
Energy: 1.7169577732362038
Energy: 1.7086634654259396
Energy: 1.6234017454913838
Energy: 1.7086634654259396
Energy: 1.8107214788721315
Energy: 1.7068506723205246
Energy: 1.7081158528881217
Energy: 1.706850672322755

minimum gb energy = 1.5676477835611884 eV
minimum distance =  2.2759609402429 Angstroms
sigma value = 7


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

Energy: 1.8791697765704851
Energy: 1.6996962418643373
Energy: 1.697532640178941
Energy: 1.6565468757730422
Energy: 1.5984573899998293
Energy: 1.6975756148052672
Energy: 1.7219450145386315
Energy: 1.6975756148068444
Energy: 1.5986339405860086
Energy: 1.5975187820412158
Energy: 1.739737763545107
Energy: 1.5975187820388503
Energy: 1.6013973891660196
Energy: 1.6017790032433064
Energy: 1.8884909918584687
Energy: 1.6017790032440948
Energy: 1.597657593518046
Energy: 1.5959692329309696
Energy: 1.794797453945106
Energy: 1.5959692329325468
Energy: 1.6610240439503803
Energy: 1.5970948846193216
Energy: 1.79535192744589
Energy: 1.59709488462011
Energy: 1.739019738637204
Energy: 1.5979994959300845
Energy: 1.611461983779241
Energy: 1.5979994959292958
Energy: 1.8696892924818995
Energy: 1.5959964660150625
Energy: 1.5960939576071105
Energy: 1.5959964660166397
Energy: 1.839029240342754
Energy: 1.6203989123831881
Energy: 1.6203117875795825
Energy: 1.6203989123831881
Energy: 1.7912750346552373
Energy: 1.8359719410644215
Energy: 1.5979436779386071
Energy: 1.8359719410652098
Energy: 1.8366643634002207
Energy: 1.7383444518432771
Energy: 1.8255156995284685
Energy: 1.7383444518440656
Energy: 1.7475851347356355
Energy: 1.7424723386043461
Energy: 1.7406177577871083
Energy: 1.7424723386043461
Energy: 1.7451274731122162
Energy: 1.743968040841475
Energy: 1.6622513993933015
Energy: 1.7439680408446288
Energy: 1.7404405080678804
Energy: 1.7874744216027376
Energy: 1.6380042307323506
Energy: 1.7874744216019491
Energy: 1.7422377634198305
Energy: 1.5918519535782412
Energy: 1.6428768130058664
Energy: 1.5918519535798181
Energy: 1.7703976559424557
Energy: 1.594173212257003
Energy: 1.6865546206681077
Energy: 1.5941732122585797
Energy: 1.8605834040364821
Energy: 1.5889684500959436
Energy: 1.6982832756389616
Energy: 1.588968450096732
Energy: 1.6379424622255148
Energy: 1.6734638652218268
Energy: 1.7401998971467867
Energy: 1.6734638652438678
Energy: 1.6470306543210431
Energy: 1.6463866565753391
Energy: 1.7496800328233673
Energy: 1.6463866565761278
Energy: 1.6369739871829454
Energy: 1.6369815441996787
Energy: 1.823667478480129
Energy: 1.6369815441988904
Energy: 1.7330220226998905
Energy: 1.6372946633657195
Energy: 1.7513915986865938
Energy: 1.6372946633626015
Energy: 1.8096311989155176
Energy: 1.5997951121001157
Energy: 1.850992133618655
Energy: 1.5997951121024456
Energy: 1.7350863191776682
Energy: 1.5988112943968555
Energy: 1.600474875191064
Energy: 1.5988112943984327
Energy: 1.8189948850880973
Energy: 1.6030107179483968
Energy: 1.6025704441248438
Energy: 1.6030107179468196
Energy: 1.750187964265875
Energy: 1.5999294951479417
Energy: 1.6008202285084692
Energy: 1.5999294951471534
Energy: 1.8445113938741022
Energy: 1.8981293947272484
Energy: 1.601942223309019
Energy: 1.8981293947256717
Energy: 1.7006177389472605
Energy: 1.7049584049239754
Energy: 2.6156311691800544
Energy: 1.704958404924764
Energy: 1.7002763550556097
Energy: 1.700379629429795
Energy: 1.697803501612349
Energy: 1.7003796294321605
Energy: 1.7005751637518176
Energy: 1.6871000706771675
Energy: 1.7024947776416983
Energy: 1.6871000706763792
Energy: 1.6992089334964937
Energy: 1.6973955067977344
Energy: 1.6380502116461182
Energy: 1.6973955067961575
Energy: 1.817770198673434
Energy: 1.6973337711479854
Energy: 1.7006148435703532
Energy: 1.6973337711479854

minimum gb energy = 1.5889684500959436 eV
minimum distance =  2.27517137275769 Angstroms
sigma value = 29


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

Energy: 1.5489121720907053
Energy: 1.8495935231797076
Energy: 1.560142974816459
Energy: 1.5484752314143277
Energy: 1.5470395150033356
Energy: 1.640104912313489
Energy: 1.559373348430935
Energy: 1.6401049123129399
Energy: 1.55353884605429
Energy: 1.645094162520024
Energy: 1.537241792510659
Energy: 1.6450941625202986
Energy: 1.5313444860924208
Energy: 1.547634341803376
Energy: 1.5482910398486995
Energy: 1.5476343418036507
Energy: 1.5470103779283921
Energy: 1.5475357113238826
Energy: 1.5328432437316726
Energy: 1.5475357113241268
Energy: 1.5479430275676458
Energy: 1.6433417426634496
Energy: 1.532642507790488
Energy: 1.6433417426629005
Energy: 1.5352638719621527
Energy: 1.6449096323790293
Energy: 1.5519977915377277
Energy: 1.6449096323809214
Energy: 1.5603815232514606
Energy: 1.5507745163962687
Energy: 1.528739630365984
Energy: 1.5507745163994728
Energy: 1.5287502423449042
Energy: 1.5520138178778244
Energy: 1.5607880252670563
Energy: 1.5520138178791674

minimum gb energy = 1.528739630365984 eV
minimum distance =  2.28361804886476 Angstroms
sigma value = 5


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

Energy: 1.8931048667378858
Energy: 1.587218035840869
Energy: 1.703314751319156
Energy: 1.4352517640776903
Energy: 1.734615013518069
Energy: 1.450983090044025
Energy: 1.7373647550314635
Energy: 1.4509830900425358
Energy: 1.7380409035879438
Energy: 1.5578749652200838
Energy: 1.7449948055928306
Energy: 1.5578749652208288
Energy: 1.6145683169136404
Energy: 1.6854946914103748
Energy: 1.731236734315479
Energy: 1.685494691412609
Energy: 1.5905256017878457
Energy: 1.4535224057990812
Energy: 1.6149982963334026
Energy: 1.4535224057968468
Energy: 1.454217109417747
Energy: 1.4530638151389925
Energy: 1.6139892023331157
Energy: 1.4530638151360136
Energy: 1.4537512295899162
Energy: 1.4539954222518092
Energy: 1.731959154595873
Energy: 1.4539954222532987
Energy: 1.453546717367493
Energy: 1.4529551509476195
Energy: 1.8503503251646312
Energy: 1.4529551509468746
Energy: 1.703415746226351
Energy: 1.4970870139031602
Energy: 1.856120305877251
Energy: 1.4970870139009256
Energy: 1.848622864169954
Energy: 1.4325462147652348
Energy: 1.4340008643512836
Energy: 1.4325462147644898
Energy: 1.7040623665172623
Energy: 1.4292139685906824
Energy: 1.429089394073187
Energy: 1.4292139685877032
Energy: 1.8490253625907231
Energy: 1.4301359196833285
Energy: 1.4307879723648427
Energy: 1.430135919684073
Energy: 1.8492225170215133
Energy: 1.4294576434475734
Energy: 1.4510201594231704
Energy: 1.429457643448318
Energy: 1.557389300542406
Energy: 1.5073778229601826
Energy: 1.8469962926185148
Energy: 1.5073778229586932
Energy: 1.562763023613289
Energy: 1.4157853073544409
Energy: 1.8596856349340636
Energy: 1.4157853073574198
Energy: 1.559593904644181
Energy: 1.412994634339373
Energy: 1.4833951956017593
Energy: 1.4129946343416073
Energy: 1.5526413787662063
Energy: 1.418678509412268
Energy: 1.4808923823243783
Energy: 1.4186785094145025
Energy: 1.8370701463013548
Energy: 1.412625708353285
Energy: 1.483931712263755
Energy: 1.4126257083540295
Energy: 1.8334321836063572
Energy: 1.523650876466187
Energy: 1.4815216859421594
Energy: 1.523650876461718
Energy: 1.832226303006605
Energy: 1.4645913213921329
Energy: 1.6161545965439357
Energy: 1.4645913213936226
Energy: 1.6123937302080589
Energy: 1.4625862032189356
Energy: 1.4806717920681638
Energy: 1.4625862032196804
Energy: 1.6165466047085273
Energy: 1.4623974841976368
Energy: 1.4634810229553938
Energy: 1.4623974841983813
Energy: 1.9430322008822767
Energy: 1.462419932733924
Energy: 1.4622506211239101
Energy: 1.4624199327354137
Energy: 1.8503027222548634
Energy: 1.4630418660241338
Energy: 1.4636712989866172
Energy: 1.463041866022644
Energy: 1.8586159070099617
Energy: 1.423302348080261
Energy: 1.4884270336946563
Energy: 1.423302348076537
Energy: 1.4237812050638614
Energy: 1.4218581339178882
Energy: 1.848423381350283
Energy: 1.4218581339193777
Energy: 1.4211667212662185
Energy: 1.4209441840888193
Energy: 1.4875187221919164
Energy: 1.420944184089564
Energy: 1.4215206557990585
Energy: 1.4210007007683674
Energy: 1.58097947974203
Energy: 1.4210007007676224
Energy: 1.4252632918422015
Energy: 1.4220313797814559
Energy: 1.8495425521080178
Energy: 1.4220313797829454
Energy: 1.846307526062327
Energy: 1.4942843588635342
Energy: 1.487763649386302
Energy: 1.4942843588620445
Energy: 1.8465620344113107
Energy: 1.4516038011415788
Energy: 1.4519151801931187
Energy: 1.4516038011423238
Energy: 1.7330430505547092
Energy: 1.4510293843944169
Energy: 1.4512329803942827
Energy: 1.4510293843936721
Energy: 1.466347936635639
Energy: 1.4539308067913779
Energy: 1.4552235143751735
Energy: 1.4539308067861643

minimum gb energy = 1.412625708353285 eV
minimum distance =  2.26431717896164 Angstroms
sigma value = 1


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

Energy: 2.1648649232862285
Energy: 1.3699449448741507
Energy: 1.6305786444325439
Energy: 1.3296596765637656
Energy: 1.371177450851993
Energy: 1.3675650969422088
Energy: 1.7639751729499689
Energy: 1.3675650969422088
Energy: 1.764547057250204
Energy: 1.502092481205299
Energy: 1.7695899248367435
Energy: 1.502092481205299
Energy: 1.4013192993356207
Energy: 1.5033228967215457
Energy: 1.7568388342382202
Energy: 1.503322896720516
Energy: 1.3711757219548422
Energy: 1.366265715546614
Energy: 1.7624739708376012
Energy: 1.3662657155476436
Energy: 1.3661591935807615
Energy: 1.3667146399600998
Energy: 1.7616534067611462
Energy: 1.3667146399611294
Energy: 1.3648712635788347
Energy: 1.3657210300190734
Energy: 1.7573124203992616
Energy: 1.3657210300180438
Energy: 1.3684026470160322
Energy: 1.3686128976230465
Energy: 2.104155630284551
Energy: 1.3686128976230465
Energy: 1.7604251512436606
Energy: 1.4305007032991044
Energy: 2.10113143903928
Energy: 1.4305007033001342
Energy: 1.7628679508531224
Energy: 1.368401005689325
Energy: 1.3682332248019817
Energy: 1.368401005688295
Energy: 1.7585718789058846
Energy: 1.3659081097809718
Energy: 1.364547041332761
Energy: 1.3659081097820014
Energy: 2.101276560885089
Energy: 1.3668982751269911
Energy: 1.366273778455865
Energy: 1.3668982751259615
Energy: 2.100947597979987
Energy: 1.3665911613249735
Energy: 1.368062365186681
Energy: 1.3665911613239439
Energy: 1.3726123919531392
Energy: 1.368397306578617
Energy: 1.7680997385292128
Energy: 1.3683973065765571
Energy: 1.4030836671449003
Energy: 1.5017054849045084
Energy: 1.765291294284336
Energy: 1.501705484905538
Energy: 1.403782215303139
Energy: 1.3669421008225995
Energy: 1.758548522663502
Energy: 1.366942100823629
Energy: 1.368666440723037
Energy: 1.3670515505002399
Energy: 1.7683844102312138
Energy: 1.3670515505022993
Energy: 1.366516895838159
Energy: 1.3674956311833752
Energy: 1.7557338576644097
Energy: 1.3674956311813156
Energy: 1.3651013597626982
Energy: 1.3657746464155682
Energy: 2.1011292335649245
Energy: 1.3657746464155682
Energy: 1.3700997011013858
Energy: 1.3695474222679829
Energy: 2.1045459293439004
Energy: 1.3695474222669528
Energy: 1.7634831927103294
Energy: 1.4311468931708542
Energy: 1.7580112139089505
Energy: 1.4311468931708542
Energy: 1.7661592561585386
Energy: 1.3675870674142705
Energy: 1.3672569813966282
Energy: 1.3675870674153001
Energy: 1.374084626086699
Energy: 1.366595673721712
Energy: 1.3654880229460034
Energy: 1.366595673722742
Energy: 2.1011939765847516
Energy: 1.3666600274824532
Energy: 1.3666731699593082
Energy: 1.3666600274855427

minimum gb energy = 1.3296596765637656 eV
minimum distance =  2.27024070679813 Angstroms
sigma value = 17


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

Energy: 1.4548807781884758
Energy: 1.3370892452550143
Energy: 1.6157415644478457
Energy: 1.306826522512987
Energy: 1.3356848134101706
Energy: 1.334124366638175
Energy: 1.5847377020127609
Energy: 1.3341243666375382
Energy: 1.8033520270443404
Energy: 1.3326270683501744
Energy: 1.5879961733504646
Energy: 1.3326270683469918
Energy: 1.8163744127999504
Energy: 1.398846469245313
Energy: 1.5802193022284918
Energy: 1.3988464692459495
Energy: 1.5578856936253713
Energy: 1.308195295461155
Energy: 1.6352382207803708
Energy: 1.3081952954630647
Energy: 1.3084353381780915
Energy: 1.3078515879485078
Energy: 1.631238072394396
Energy: 1.3078515879472348
Energy: 1.307726042596889
Energy: 1.3071085210121276
Energy: 1.359360305836883
Energy: 1.307108521012764
Energy: 1.3089905299926279
Energy: 1.3079208110983742
Energy: 1.4607392974867426
Energy: 1.3079208110983742
Energy: 1.798175858987126
Energy: 1.307478132199173
Energy: 1.5834290726245257
Energy: 1.3074781321998097
Energy: 1.590244323777855
Energy: 1.3987259077301364
Energy: 1.5806791366531512
Energy: 1.3987259077333192
Energy: 1.794485611799294
Energy: 1.3324619137367213
Energy: 1.3554150475973894
Energy: 1.3324619137354485
Energy: 1.6286494191958447
Energy: 1.3331971922573322
Energy: 1.57960686284248
Energy: 1.3331971922598782
Energy: 1.6378905641768795
Energy: 1.3329588119139117
Energy: 1.33359265036623
Energy: 1.3329588119120022
Energy: 1.336753102765236
Energy: 1.332307446977149
Energy: 1.3333230135361416
Energy: 1.332307446977149
Energy: 1.8106486283453829
Energy: 1.3347811399843335
Energy: 1.3359628915792874
Energy: 1.33478113998497
Energy: 1.4535915967209925
Energy: 1.3328137839515701
Energy: 1.3354245594920264
Energy: 1.3328137839528433
Energy: 1.334659354590284
Energy: 1.333477632076121
Energy: 1.6305763067755739
Energy: 1.3334776320742117
Energy: 1.3325356133891217
Energy: 1.331816978897239
Energy: 1.8004813116083476
Energy: 1.3318169788978753
Energy: 1.3338241108647095
Energy: 1.3337412055987286
Energy: 1.5815396515187932
Energy: 1.3337412056000015
Energy: 1.3338448323894057
Energy: 1.333303024494298
Energy: 1.4621021727628094
Energy: 1.3333030244949347
Energy: 1.586204866194105
Energy: 1.3336139652127832
Energy: 1.5595490736836652
Energy: 1.3336139652127832
Energy: 1.5880872054175335
Energy: 1.620651320775124
Energy: 1.8063155785675589
Energy: 1.620651320775124
Energy: 1.5815863878806617
Energy: 1.3979910953255823
Energy: 1.8128023263960948
Energy: 1.3979910953249457
Energy: 1.6401949935189686
Energy: 1.308243860597975
Energy: 1.5572567555918468
Energy: 1.3082438605973385
Energy: 1.627799658286401
Energy: 1.3076565255504689
Energy: 1.3080760251417256
Energy: 1.3076565255491959
Energy: 1.3631486310094973
Energy: 1.3071821535321226
Energy: 1.3078915258742305
Energy: 1.3071821535321226
Energy: 1.4516817003535827
Energy: 1.3077779950545947
Energy: 1.3095055603128676
Energy: 1.3077779950552315
Energy: 1.3611562834834443
Energy: 1.307863850849339
Energy: 1.8020501633608463
Energy: 1.3078638508487026
Energy: 1.5830700878104338
Energy: 1.3996934583004113
Energy: 1.5882458979282577
Energy: 1.3996934583004113
Energy: 1.3558560759859775
Energy: 1.3325606961255312
Energy: 1.793281180410561
Energy: 1.332560696126168
Energy: 1.5786553180851506
Energy: 1.3328389753684642
Energy: 1.6322242263670395
Energy: 1.3328389753691003
Energy: 1.3334922111243794
Energy: 1.3328832952822256
Energy: 1.6335435113147938
Energy: 1.3328832952847716
Energy: 1.3326444436401965
Energy: 1.3317869486148657
Energy: 1.572871397010819
Energy: 1.3317869486142289
Energy: 1.3354095601074123
Energy: 1.335345921201356
Energy: 1.814176534355979
Energy: 1.335345921202629
Energy: 1.5773088977307057
Energy: 1.373807646027896
Energy: 1.4511185982692214
Energy: 1.3738076460285327
Energy: 1.630950317804178
Energy: 1.3328119506806764
Energy: 1.3348710409418585
Energy: 1.3328119506800398
Energy: 1.7972155797913434
Energy: 1.3317919299948826
Energy: 1.332261373660558
Energy: 1.3317919299967922
Energy: 1.5828659204013686
Energy: 1.3330239500038246
Energy: 1.3336821721830892
Energy: 1.3330239500025514

minimum gb energy = 1.306826522512987 eV
minimum distance =  2.27203426680135 Angstroms
sigma value = 89


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

Energy: 2.9140950557396317
Energy: 1.2125304467331073
Energy: 1.2151042924235318
Energy: 1.2066465802187611
Energy: 1.2158575415944675
Energy: 1.318080211538725
Energy: 1.2167359285408978
Energy: 1.318080211538725
Energy: 1.207208486376856
Energy: 1.318046162100804
Energy: 1.2190385187997543
Energy: 1.3180461621024693
Energy: 1.2053078216220596
Energy: 1.3171181999732164
Energy: 1.2138534608554314
Energy: 1.3171181999732164
Energy: 1.2119586348136688
Energy: 1.2088282850049272
Energy: 1.2079987075909355
Energy: 1.2088282850049272
Energy: 1.208321951607237
Energy: 1.2084405198324142
Energy: 1.2087668885004463
Energy: 1.2084405198324142
Energy: 1.2074045999496283
Energy: 1.2075917824128946
Energy: 1.2154353389757804
Energy: 1.2075917824128946
Energy: 1.2105524308860731
Energy: 1.2092794281287216
Energy: 1.2064563847254182
Energy: 1.2092794281287216
Energy: 1.214318387234427
Energy: 1.2075797186482613
Energy: 1.2106532385635729
Energy: 1.2075797186482613
Energy: 1.217979747443143
Energy: 1.3167073244921552
Energy: 1.2151139871628065
Energy: 1.3167073244921552
Energy: 1.2146537549454302
Energy: 1.316720304305416
Energy: 1.204649576326969
Energy: 1.316720304305416
Energy: 1.2068013872842918
Energy: 1.2078016646701333
Energy: 1.2136098359425465
Energy: 1.2078016646701333
Energy: 1.2083018934137972
Energy: 1.2090922946051383
Energy: 1.2091845870876872
Energy: 1.2090922946051383
Energy: 1.2140508475572536
Energy: 1.2074423411074373
Energy: 1.2070277574462127
Energy: 1.2074423411074373
Energy: 1.2074216195539897
Energy: 1.2092925523205984
Energy: 1.2095621048017762
Energy: 1.2092925523205984

minimum gb energy = 1.204649576326969 eV
minimum distance =  2.29030823903238 Angstroms
sigma value = 13


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

Energy: 2.522300902891362
Energy: 1.1054881621996147
Energy: 1.4262677231391796
Energy: 1.0906389012445374
Energy: 1.3808964907549075
Energy: 1.1006133664872422
Energy: 1.3839587638171924
Energy: 1.100613366485148
Energy: 1.109750310385307
Energy: 1.1006215243685826
Energy: 1.3878599446129583
Energy: 1.1006215243664883
Energy: 1.66426522711369
Energy: 1.099206715850852
Energy: 1.3834691298810449
Energy: 1.0992067158347976
Energy: 1.3872355510625047
Energy: 1.0992928441279757
Energy: 1.3869508454571666
Energy: 1.099292844129372
Energy: 1.3856576027699905
Energy: 1.1020722093493942
Energy: 1.3831465412552089
Energy: 1.102072209348696
Energy: 1.3857515258267947
Energy: 1.1003789066326242
Energy: 1.381729591632748
Energy: 1.1003789066326242
Energy: 1.384537889648402
Energy: 1.101356453667959
Energy: 1.3921449696795194
Energy: 1.101356453670053
Energy: 1.0997487449369772
Energy: 1.100101968437175
Energy: 1.3886172023771
Energy: 1.1001019684427276
Energy: 1.1000628072702108
Energy: 1.0997092897319627
Energy: 1.3884534075640083
Energy: 1.0997092897361507
Energy: 1.1019880072510906
Energy: 1.0994777733015677
Energy: 1.1098002422248583
Energy: 1.0994777733022656
Energy: 1.38372923501982
Energy: 1.1632900375249768
Energy: 1.3871549567419446
Energy: 1.1632900375249768
Energy: 1.388788584100587
Energy: 1.1604707429531993
Energy: 1.3818012977303802
Energy: 1.1604707429518033
Energy: 1.3839726878070497
Energy: 1.1611392395474682
Energy: 1.6640209821460836
Energy: 1.1611392395509585
Energy: 1.3897624507125075
Energy: 1.099991593642958
Energy: 1.3835834202920954
Energy: 1.0999915936450522
Energy: 1.391059877471682
Energy: 1.1016873297134777
Energy: 1.1023977122632844
Energy: 1.1016873297078935
Energy: 1.381195781797736
Energy: 1.1005532197725783
Energy: 1.10157155452959
Energy: 1.1005532197746726
Energy: 1.116202094578883
Energy: 1.1013811044078237
Energy: 1.1024649455387676
Energy: 1.1013811044071258
Energy: 1.6491954861473717
Energy: 1.0998415626347284
Energy: 1.3803168933913526
Energy: 1.0998415626403129
Energy: 1.3870254687974766
Energy: 1.0995589702339816
Energy: 1.3893993785303265
Energy: 1.0995589702297934
Energy: 1.8122745811253855
Energy: 1.0996225836401377
Energy: 1.381034781284236
Energy: 1.0996225836408355
Energy: 1.385759107134666
Energy: 1.1001123967583333
Energy: 1.3825546941271873
Energy: 1.1001123967694701
Energy: 1.3815865937905507
Energy: 1.1003614035296374
Energy: 1.3876696973862488
Energy: 1.1003614035261469
Energy: 1.1084360490365104
Energy: 1.0994918596143748
Energy: 1.383852210765119
Energy: 1.099491859618563
Energy: 1.3818295167351498
Energy: 1.1000621813829528
Energy: 1.3868068706653458
Energy: 1.1000621813780667
Energy: 1.1002414107542082
Energy: 1.1000105597602399
Energy: 1.3906023740783924
Energy: 1.1000105597602399
Energy: 1.0995711655738059
Energy: 1.0994745430341937
Energy: 1.384616849610187
Energy: 1.0994745430307038
Energy: 1.100883783824081
Energy: 1.099226052766422
Energy: 1.115476450262292
Energy: 1.0992260527601398
Energy: 1.3810912734972671
Energy: 1.1008854242272674
Energy: 1.6500280997750874
Energy: 1.1008854242244754
Energy: 1.3903250270780487
Energy: 1.1608901891243903
Energy: 1.3807125563697613
Energy: 1.1608901891243903
Energy: 1.3851290447762457
Energy: 1.1621810273560829
Energy: 1.6500673709349079
Energy: 1.1621810273539888
Energy: 1.3903589608136793
Energy: 1.1017385423953694
Energy: 1.632428974828604
Energy: 1.1017385423946715
Energy: 1.390031519714546
Energy: 1.099937123289158
Energy: 1.1009372302036111
Energy: 1.099937123290554
Energy: 1.6335261766703932
Energy: 1.099249980157296
Energy: 1.0997324451815071
Energy: 1.099249980157296
Energy: 1.6496745782298965
Energy: 1.1001580662136627
Energy: 1.101103535762665
Energy: 1.1001580662067139

minimum gb energy = 1.0906389012445374 eV
minimum distance =  2.28839892928502 Angstroms
sigma value = 37


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

Energy: 1.7480858870997404
Energy: 1.001756048547602
Energy: 1.0011926466220173
Energy: 0.9887314941142713
Energy: 1.4757300687080586
Energy: 0.9996975625742468
Energy: 1.0017037289636226
Energy: 0.9996975625742468
Energy: 1.2316667763712474
Energy: 0.999585501344607
Energy: 1.0065845029052256
Energy: 0.9995855013434062
Energy: 1.2405260078561144
Energy: 1.111821477370674
Energy: 1.006844201933653
Energy: 1.111821477370674
Energy: 1.4750924371358693
Energy: 0.9820325763035681
Energy: 1.2356602043141274
Energy: 0.982032576304769
Energy: 1.2299785484345953
Energy: 0.9827258474379182
Energy: 0.9847415298664917
Energy: 0.9827258474415211
Energy: 1.2329516583340485
Energy: 0.9841052333920066
Energy: 0.9874626554367572
Energy: 0.9841052333968104
Energy: 1.2352227113182774
Energy: 0.9867188820454705
Energy: 1.2410392443567053
Energy: 0.9867188820466715
Energy: 1.2310913985123086
Energy: 0.9819986879572029
Energy: 1.2374548978364686
Energy: 0.9819986879560019
Energy: 1.2298623683540293
Energy: 0.9820334240005845
Energy: 0.9870690694149058
Energy: 0.9820334239993835
Energy: 1.2392450500145733
Energy: 1.238549909384496
Energy: 2.1995721649710305
Energy: 1.2385499093856969
Energy: 1.2308812119762704
Energy: 0.9816467676268462
Energy: 0.9867279505892442
Energy: 0.9816467676280473
Energy: 1.2310652536786586
Energy: 0.9817301632222487
Energy: 1.24048828830269
Energy: 0.9817301632222487
Energy: 1.2366850546827235
Energy: 1.0976430581380412
Energy: 1.240715782796028
Energy: 1.0976430581380412
Energy: 1.2356602043153284
Energy: 1.0956272916566567
Energy: 0.9871616990019866
Energy: 1.0956272916578575
Energy: 1.4770417455033424
Energy: 1.0950030790240943
Energy: 1.2301792734432997
Energy: 1.0950030790240943
Energy: 1.4752432762269643
Energy: 1.095207825926435
Energy: 1.2329617438052551
Energy: 1.0952078259216311
Energy: 1.2410392443494997
Energy: 1.0014026132762666
Energy: 1.0056953183620962
Energy: 1.0014026132750657
Energy: 1.2374548978352675
Energy: 0.9997112203405663
Energy: 1.0003012757525707
Energy: 0.9997112203405663
Energy: 1.2302420617790948
Energy: 1.0000021851498815
Energy: 1.0002936507984836
Energy: 1.0000021851498815

minimum gb energy = 0.9816467676268462 eV
minimum distance =  2.28605381476705 Angstroms
sigma value = 25


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

Energy: 2.1604790109623413
Energy: 0.8520983684305543
Energy: 1.2044807626205594
Energy: 0.8488010110758789
Energy: 1.620581919340385
Energy: 0.8506665344223692
Energy: 1.2358222067874878
Energy: 0.8506665344214314
Energy: 1.6277327152935306
Energy: 0.8516162016125035
Energy: 1.239146157418391
Energy: 0.8516162016115657
Energy: 1.7835791230296896
Energy: 0.8519269453774981
Energy: 1.4563382135955496
Energy: 0.8519269453784358
Energy: 1.6184849509910058
Energy: 0.9435752855433167
Energy: 1.2403335189942006
Energy: 0.9435752855451923
Energy: 1.7859962644748146
Energy: 0.9424456944347682
Energy: 1.4554443479913002
Energy: 0.9424456944347682
Energy: 1.7907613249983099
Energy: 0.8450049773446341
Energy: 1.6093252245620082
Energy: 0.8450049773436964
Energy: 1.233237586148526
Energy: 0.8436481734575927
Energy: 1.787198542244147
Energy: 0.8436481734585306
Energy: 1.2355238306903047
Energy: 0.8435799639291748
Energy: 1.60682442446221
Energy: 0.8435799639291748
Energy: 1.2321444812119107
Energy: 0.8420614594645728
Energy: 1.606862335161135
Energy: 0.8420614594645728
Energy: 1.04427584350232
Energy: 0.8440211533263069
Energy: 2.1592522162539667
Energy: 0.8440211533291203
Energy: 1.0435042392848357
Energy: 0.8422422952168895
Energy: 1.606620197729489
Energy: 0.8422422952150139
Energy: 1.042264740901123
Energy: 0.8454346581979987
Energy: 1.6072284720734513
Energy: 0.8454346581998743
Energy: 1.0461048194614366
Energy: 0.8442922776500991
Energy: 1.6083036842419618
Energy: 0.8442922776500991
Energy: 1.4275106805792612
Energy: 0.8421711612226737
Energy: 1.6092179013780006
Energy: 0.8421711612226737
Energy: 1.4240854740183142
Energy: 0.8430311179577251
Energy: 1.6275731359002803
Energy: 0.8430311179605384
Energy: 1.6181475869518989
Energy: 0.8448342404954174
Energy: 1.6278847226347746
Energy: 0.844834240492604
Energy: 1.4303500820939672
Energy: 0.9388620721306867
Energy: 1.612584050756963
Energy: 0.9388620721410023
Energy: 1.6237141178071064
Energy: 0.9340039646754866
Energy: 1.7893151822937787
Energy: 0.9340039646745489
Energy: 1.6207454514361226
Energy: 0.9343769550679284
Energy: 1.7872578704404978
Energy: 0.934376955069804
Energy: 1.7867077204159183
Energy: 0.9354564815952979
Energy: 1.0731729683476479
Energy: 0.9354564815999868
Energy: 1.620417012709188
Energy: 0.8506687437254169
Energy: 1.0423300448957795
Energy: 0.8506687437254169
Energy: 1.6289562745966835
Energy: 0.8514304381136548
Energy: 1.0722539044043815
Energy: 0.8514304381164682
Energy: 1.7926725111833473
Energy: 0.8516723216686992
Energy: 0.8527305098730448
Energy: 0.8516723216677614
Energy: 1.618868047208943
Energy: 0.8507090121148779
Energy: 0.8514930068690544
Energy: 0.8507090121176913
Energy: 1.6298359401789135
Energy: 0.8506249607601948
Energy: 0.8517672624083344
Energy: 0.8506249607583193

minimum gb energy = 0.8420614594645728 eV
minimum distance =  2.29016121177697 Angstroms
sigma value = 41


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

Energy: 2.0416159519573314
Energy: 0.7473578047633894
Energy: 1.1087611847327197
Energy: 0.7469601975601176
Energy: 1.9952504242697195
Energy: 0.745318947406169
Energy: 1.0677120330034442
Energy: 0.7453189474046313
Energy: 1.9876781607667173
Energy: 0.7440312467881511
Energy: 1.069876173190229
Energy: 0.74403124678892
Energy: 1.9984950192754323
Energy: 0.7463277963761266
Energy: 1.398898275533033
Energy: 0.7463277963784332
Energy: 1.9916512163889786
Energy: 0.7434723339239953
Energy: 1.6939849095160602
Energy: 0.7434723339263017
Energy: 1.9891563605704488
Energy: 0.7454406564135437
Energy: 1.6900002944722927
Energy: 0.7454406564304229
Energy: 1.994900665856597
Energy: 0.823556750688903
Energy: 1.99105987222693
Energy: 0.823556750688903
Energy: 1.6954978313016131
Energy: 0.8211100859934745
Energy: 1.6973933995880184
Energy: 0.8211100859957808
Energy: 1.3908440188591755
Energy: 0.744323715115076
Energy: 1.9967003701533037
Energy: 0.7443237151204577
Energy: 1.3895228124379122
Energy: 0.743814110007828
Energy: 1.995393969924671
Energy: 0.7438141100109034
Energy: 1.071503015404924
Energy: 0.7451544989501298
Energy: 1.9905125947313669
Energy: 0.7451544989485922
Energy: 1.0702467661930006
Energy: 0.7440316825889318
Energy: 1.9947665298568655
Energy: 0.7440316825904695
Energy: 1.068922388411199
Energy: 0.7446814388441698
Energy: 1.9955438484618933
Energy: 0.7446814388441698
Energy: 0.7482499284970859
Energy: 0.7449904818876457
Energy: 1.9897343179129203
Energy: 0.7449904818868768
Energy: 0.7472283435686267
Energy: 0.745377119546887
Energy: 1.9920411274297427
Energy: 0.7453771195453496
Energy: 0.7468490126000125
Energy: 0.7449638897166087
Energy: 1.9870666634920766
Energy: 0.7449638897158397
Energy: 1.070084088210555
Energy: 0.7445912989132591
Energy: 1.986441259311724
Energy: 0.7445912989147968
Energy: 1.0712447827642209
Energy: 0.7449470243422481
Energy: 1.9920814108303677
Energy: 0.7449470243414793
Energy: 1.0688511135387804
Energy: 0.7449565345914411
Energy: 1.9928975501152941
Energy: 0.7449565345929788
Energy: 1.6885187295722381
Energy: 0.7449023349050764
Energy: 1.9903823630107902
Energy: 0.7449023349058452
Energy: 1.7014050250420432
Energy: 0.744716134135775
Energy: 1.9924816966471839
Energy: 0.7447161341326998
Energy: 1.6892534975421518
Energy: 0.8209864102738084
Energy: 1.9972783293431247
Energy: 0.8209864102761149
Energy: 1.9978012157678953
Energy: 0.8207101264245453
Energy: 1.9872715149417344
Energy: 0.820710126422239
Energy: 1.6962574549260965
Energy: 0.8220515737294379
Energy: 1.688896198649854
Energy: 0.8220515737209809
Energy: 1.9914596450656175
Energy: 0.744147598844411
Energy: 1.3973639409169567
Energy: 0.7441475988405668
Energy: 1.9956980135046987
Energy: 0.7441204154135486
Energy: 1.6878130879347597
Energy: 0.7441204154120109
Energy: 1.9906701006309122
Energy: 0.7449303455467753
Energy: 1.069405516467268
Energy: 0.7449303455483128
Energy: 1.9913322041803185
Energy: 0.745253679652145
Energy: 1.0722443906467671
Energy: 0.745253679652145
Energy: 1.990169426729679
Energy: 0.7441932782244185
Energy: 1.0696895462023759
Energy: 0.7441932782251872
Energy: 1.9902108753944567
Energy: 0.7462833610138181
Energy: 0.7472203892428139
Energy: 0.7462833610138181
Energy: 1.9931282517600422
Energy: 0.7451330597313636
Energy: 0.7468389746623221
Energy: 0.7451330597313636
Energy: 1.9868520108125094
Energy: 0.7459486652849943
Energy: 0.7474690895212085
Energy: 0.7459486652842255

minimum gb energy = 0.7434723339239953 eV
minimum distance =  2.30130537853778 Angstroms
sigma value = 15


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

Energy: 2.2687230228970137
Energy: 0.6780155148652945
Energy: 1.046098954654924
Energy: 0.6745527452562938
Energy: 2.2582440857212354
Energy: 0.6726291345277148
Energy: 0.9496334452248006
Energy: 0.6726291345257609
Energy: 2.2630937078308793
Energy: 0.6727530859424873
Energy: 0.9507821288909862
Energy: 0.6727530859470464
Energy: 2.2625672539949107
Energy: 0.6727727286578529
Energy: 1.494615658157403
Energy: 0.6727727286578529
Energy: 2.2548138049157718
Energy: 0.6707319522327138
Energy: 1.4883038475654762
Energy: 0.6707319522301085
Energy: 2.2531284499998283
Energy: 0.6721226417024392
Energy: 1.4843673402295603
Energy: 0.6721226417030906
Energy: 1.7456108730442126
Energy: 0.6782662466433987
Energy: 1.996170665232967
Energy: 0.6782662466433987
Energy: 2.0001991162837323
Energy: 0.7414865441244785
Energy: 1.4915124630233791
Energy: 0.7414865441134063
Energy: 1.7439167486241167
Energy: 0.7377629782103831
Energy: 1.9959297516925345
Energy: 0.7377629782110344
Energy: 1.7429877217121625
Energy: 0.7389646832764265
Energy: 2.2558650658400174
Energy: 0.7389646832757752
Energy: 1.4895243856312346
Energy: 0.6738974581201833
Energy: 2.0100922464506086
Energy: 0.6738974580993415
Energy: 1.229999488923245
Energy: 0.6708681808368346
Energy: 2.257480726853049
Energy: 0.6708681808433477
Energy: 1.4848930596163716
Energy: 0.6709987622691511
Energy: 2.259255804370699
Energy: 0.670998762260033
Energy: 0.9533496688325672
Energy: 0.6731400565697198
Energy: 2.0048119678862832
Energy: 0.673140056570371
Energy: 0.9545573145738068
Energy: 0.6718820883716297
Energy: 2.2552245209554047
Energy: 0.6718820883735835
Energy: 0.9528107797597571
Energy: 0.6749275987447261
Energy: 2.2615294847075806
Energy: 0.6749275987447261
Energy: 0.6750178441709053
Energy: 0.6746214843083365
Energy: 2.2697198974462935
Energy: 0.6746214843089877
Energy: 0.6724226042048623
Energy: 0.6716637015417142
Energy: 2.2538525273075676
Energy: 0.6716637015443194
Energy: 0.6743411536160864
Energy: 0.6737518823186515
Energy: 2.2570370709527414
Energy: 0.6737518823193028
Energy: 0.9529625164883391
Energy: 0.6724236374971543
Energy: 2.2743525398066726
Energy: 0.6724236374958517
Energy: 0.953389597796436
Energy: 0.6723057074358729
Energy: 2.2548869389996837
Energy: 0.6723057074319652
Energy: 0.9548522676168614
Energy: 0.6729849786494824
Energy: 2.260514076480666
Energy: 0.6729849786501337
Energy: 1.4837086298317226
Energy: 0.6716719823375716
Energy: 2.250966152026323
Energy: 0.6716719823408281
Energy: 1.4908107307402467
Energy: 0.6709420637522293
Energy: 2.256461673392519
Energy: 0.6709420637496242
Energy: 1.4903579421697777
Energy: 0.6734237918219842
Energy: 1.7509718984758598
Energy: 0.6734237918219842
Energy: 1.9984505446534089
Energy: 0.7392359605376656
Energy: 2.258587485040819
Energy: 0.7392359537794421
Energy: 1.4876917900397528
Energy: 0.7383363902117573
Energy: 1.9969641982686561
Energy: 0.7383363902098035
Energy: 2.0009578136767288
Energy: 0.7415072502838275
Energy: 1.7522110530437118
Energy: 0.7415072502896892
Energy: 2.001011279145413
Energy: 0.6723493721250224
Energy: 1.997552804359401
Energy: 0.6723493721106937
Energy: 1.9977858924164957
Energy: 0.6725562378844503
Energy: 1.4850350831406651
Energy: 0.6725562378824963
Energy: 2.2554379916585456
Energy: 0.6707531491144851
Energy: 1.2294533439773205
Energy: 0.6707531491177415
Energy: 2.0035192845645775
Energy: 0.6741928431088149
Energy: 1.4897031351576016
Energy: 0.6741928431036045
Energy: 2.260561316154403
Energy: 0.6722012268504268
Energy: 0.9504145805462622
Energy: 0.6722012268517294
Energy: 2.2567147607704645
Energy: 0.6724270562082815
Energy: 0.9504311846914977
Energy: 0.6724270562082815
Energy: 2.2506823611846345
Energy: 0.6725671048011089
Energy: 0.676866003714057
Energy: 0.6725671048037142
Energy: 2.257402996547179
Energy: 0.6736225446926613
Energy: 0.6738583733796355
Energy: 0.6736225446933126
Energy: 2.261248946855984
Energy: 0.6729031234195353
Energy: 0.6745976656971536
Energy: 0.6729031234195353

minimum gb energy = 0.6707319522301085 eV
minimum distance =  2.30181747354668 Angstroms
sigma value = 85


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

Energy: 2.4562346429633797
Energy: 0.593435522786657
Energy: 0.5840412851139437
Energy: 0.5162940714039668
Energy: 2.433341142965283
Energy: 0.5916960664281207
Energy: 0.8393310017791055
Energy: 0.5916960664286854
Energy: 2.427877678716248
Energy: 0.5915846727438243
Energy: 0.8398681847531849
Energy: 0.5915846727426946
Energy: 1.9833738707491309
Energy: 0.5931023018149263
Energy: 1.3139836070811282
Energy: 0.593102301816056
Energy: 2.4304327685154643
Energy: 0.5908141757059574
Energy: 1.3159841830410306
Energy: 0.5908141757200538
Energy: 1.9882628956541812
Energy: 0.5919494832145819
Energy: 1.3126798976485947
Energy: 0.5919494832145819
Energy: 1.9941576409125021
Energy: 0.5922243447823264
Energy: 1.7667101607766302
Energy: 0.5922243447828913
Energy: 2.2118929673747596
Energy: 0.5918670719931132
Energy: 1.315124772759448
Energy: 0.591867071993678
Energy: 1.992905077691212
Energy: 0.5914103776988221
Energy: 1.7636577591385465
Energy: 0.5914103777027762
Energy: 1.9914467008051806
Energy: 0.7050081617473115
Energy: 2.2071474899272943
Energy: 0.7050081617484413
Energy: 1.7687977843405687
Energy: 0.7047753553834409
Energy: 1.762609071078591
Energy: 0.7047753553992575
Energy: 1.5424266053050781
Energy: 0.5917121615674779
Energy: 2.2074666445521225
Energy: 0.5917121615719969
Energy: 1.7645193272178825
Energy: 0.5909634650552579
Energy: 2.2085038705930207
Energy: 0.5909634650524335
Energy: 1.3173591884821378
Energy: 0.5929322328375797
Energy: 1.7596559627247204
Energy: 0.5929322328375797
Energy: 1.0868105878082117
Energy: 0.5910332042462977
Energy: 2.4295193955856287
Energy: 0.5910332042468625
Energy: 1.3141198865441315
Energy: 0.5921487733052768
Energy: 2.2097064908008175
Energy: 0.5921487733069715
Energy: 0.8434992283274987
Energy: 0.5930781350875691
Energy: 2.2052592244583726
Energy: 0.5930781350875691
Energy: 0.842001322014481
Energy: 0.5912989539978669
Energy: 2.4287715529535023
Energy: 0.591298953997302
Energy: 0.8434521159822665
Energy: 0.5933534788155035
Energy: 2.4236646692903636
Energy: 0.5933534788160683
Energy: 0.594022090227434
Energy: 0.5927170647519785
Energy: 2.4237410260364043
Energy: 0.5927170647502839
Energy: 0.5920131755814256
Energy: 0.5910810081602587
Energy: 2.4301565324157246
Energy: 0.5910810081602587
Energy: 0.5930902837237216
Energy: 0.5936574318528328
Energy: 2.423219246923223
Energy: 0.5936574318545275
Energy: 0.8411309707353265
Energy: 0.5925329525937665
Energy: 2.425823648595191
Energy: 0.5925329525937665
Energy: 0.8411904853298191
Energy: 0.5911164575827061
Energy: 2.431769480212095
Energy: 0.5911164575827061
Energy: 0.8427917617763662
Energy: 0.5941443252391639
Energy: 1.9837984942813842
Energy: 0.5941443252397287
Energy: 1.3127690302778594
Energy: 0.5916116156699311
Energy: 2.4282084556541683
Energy: 0.5916116156699311
Energy: 1.314623284838187
Energy: 0.5909431023674353
Energy: 2.4278119166875425
Energy: 0.5909431023685651
Energy: 1.3137619001200442
Energy: 0.5932650795824578
Energy: 1.98594378592779
Energy: 0.5932650795835874
Energy: 1.7685991670413501
Energy: 0.5910655600157603
Energy: 2.4322546715008997
Energy: 0.5910655600174548
Energy: 1.7661044408280955
Energy: 0.591644468182214
Energy: 1.9884785997973917
Energy: 0.5916444686915018
Energy: 1.9916230221689644
Energy: 0.7054577393498073
Energy: 1.5397593258850542
Energy: 0.7054577393390746
Energy: 1.7716254712443054
Energy: 0.7047178169334135
Energy: 1.9916849371860506
Energy: 0.7047178169283297
Energy: 2.2096396219778436
Energy: 0.5915933867346191
Energy: 1.5382830238595824
Energy: 0.5915933867374435
Energy: 2.4323261402647183
Energy: 0.590778541947185
Energy: 1.5399192160812718
Energy: 0.59077854194775
Energy: 1.7597501155343702
Energy: 0.5934773625405309
Energy: 1.3141797115915186
Energy: 0.5934773625179358
Energy: 2.4341457044158807
Energy: 0.5909803509726453
Energy: 1.314665931883702
Energy: 0.59098035097434
Energy: 2.4304029485642693
Energy: 0.5919682916776037
Energy: 1.3126707629413485
Energy: 0.5919682916753443
Energy: 2.205488322828982
Energy: 0.5939008064090892
Energy: 0.8424980080956525
Energy: 0.5939008064102189
Energy: 2.431321814072195
Energy: 0.5909442433779659
Energy: 0.8414585397292608
Energy: 0.5909442433779659
Energy: 2.423536422786511
Energy: 0.5927536901460599
Energy: 0.8414534497639596
Energy: 0.5927536901454952
Energy: 2.2034702417133167
Energy: 0.5934665168666006
Energy: 0.5957448859651318
Energy: 0.5934665168666006
Energy: 2.429285767721281
Energy: 0.5910132190533717
Energy: 0.5917696076994452
Energy: 0.5910132190539364
Energy: 2.4234919394120844
Energy: 0.5930166523922525
Energy: 0.5936353159117966
Energy: 0.5930166523916878

minimum gb energy = 0.5162940714039668 eV
minimum distance =  2.29697987578489 Angstroms
sigma value = 113


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

Energy: 0.013988766300476319
Energy: 0.5428053007443008
Energy: 2.1914688135398572
Energy: 0.015046224061069619
Energy: 1.768906890593561
Energy: 0.1435762718219369
Energy: 1.7719581030045009
Energy: 0.14357627182278124
Energy: 0.015077637736530992
Energy: 0.14062043631060953
Energy: 1.7780771551942451
Energy: 0.14062043631017526
Energy: 0.01591159597652494
Energy: 0.1511096465404681
Energy: 1.77750524585325
Energy: 0.1511096465396237
Energy: 1.7749976778915746
Energy: 0.14644741826685673
Energy: 1.7760549946514201
Energy: 0.14644741826726684
Energy: 0.014803470618048962
Energy: 0.14140562932318987
Energy: 1.775403318277531
Energy: 0.14140562932446848

minimum gb energy = 0.013988766300476319 eV
minimum distance =  2.5417458308088 Angstroms
sigma value = 1