Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ag__MO_137719994600_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.097743973135948
cohesive_energy=2.823046017138722
mass=107.8682
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=[1.0763118213651538e-19, 1.559786244617628e-19, 1.96309896434118e-19, 2.30303278077696e-19, 2.59461290639862e-19, 2.8483656416915397e-19, 3.07182121683552e-19, 3.2742882780740996e-19, 3.454100561707919e-19, 3.6138856374167396e-19, 3.75567826952574e-19, 3.8811767652669594e-19, 3.9917109312466193e-19, 4.0884503564075397e-19, 4.17250054262718e-19, 4.2507348276653994e-19, 4.3178820503963397e-19, 4.374567059707259e-19, 4.421382660952739e-19, 4.45879348535664e-19, 4.4872321206101395e-19, 4.50713115440442e-19, 4.51882704383262e-19, 4.52265624598788e-19, 4.51850660850582e-19, 4.505000259481199e-19, 4.48159245885846e-19, 4.445383266930059e-19, 4.39347274398846e-19, 4.3226885802983396e-19, 4.2292496390034597e-19, 4.1084775643325395e-19, 3.9545884986368396e-19, 3.76043673412872e-19, 3.52248146044704e-19, 3.2341857969250794e-19, 2.87369605427508e-19, 2.4232440936259797e-19, 1.85971050614916e-19, 1.1533925392268938e-19, 2.6549348566687197e-20, -8.598593602883879e-20, -2.2971047272311597e-19, -4.1331350627297994e-19, -6.524864341964999e-19, -9.68228985635514e-19, -1.3923363558917519e-18, -1.9741219395831e-18, -2.7939076579018797e-18, -3.985494485906699e-18, -5.79209283663876e-18, -8.69168006531928e-18, -1.371466403057268e-17, -2.3433755884210798e-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: 0.00847317123238208
Energy: 0.00929928962662215
Energy: 0.8918838676095546
Energy: 0.00929928962662215
Energy: 0.00929928962662215
Energy: 1.0267533634248285
Energy: 0.00929928962662215
Energy: 1.0267533634200556
Energy: 0.89188386760908
Energy: 0.00929928962662215
Energy: 0.00847317123238208
Energy: 0.00929928962662215
Energy: 0.009299289626134011
Energy: 1.026753363411947
Energy: 0.00929928962662215
Energy: 1.0267533634086115

minimum gb energy = 0.00847317123238208 eV
minimum distance =  2.82283690212634 Angstroms
sigma value = 1


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

Energy: 1.6285475974039116
Energy: 0.9490375216504813
Energy: 1.0136904372973874
Energy: 0.9490375216510734
Energy: 1.044716525164272
Energy: 1.047091472431671
Energy: 0.9965919667863394
Energy: 1.0470914724322633
Energy: 1.012993481719033
Energy: 1.0118704267678864
Energy: 0.9965977255823281
Energy: 1.0118704267678864
Energy: 0.996043270706794
Energy: 0.9956282209925231
Energy: 0.9964625167703604
Energy: 0.9956282209942993
Energy: 1.0576809447799835
Energy: 0.9978198171910396
Energy: 0.9970446044298547
Energy: 0.9978198171898556
Energy: 0.9958060405905512
Energy: 1.1305598948342133
Energy: 0.9967264578375855
Energy: 1.1305598948342133
Energy: 0.9962377675858833
Energy: 1.1123376140064682
Energy: 1.0580018295140754
Energy: 1.1123376140082444
Energy: 1.0590783687228187
Energy: 1.1228639088051506
Energy: 1.0091991039134
Energy: 1.1228639088051506
Energy: 1.0677256621121949
Energy: 1.1676691947503361
Energy: 1.0584324974597599
Energy: 1.1676691947503361
Energy: 1.0675482034312922
Energy: 1.1352623368827963
Energy: 1.0670930252360147
Energy: 1.1352623368816124
Energy: 1.057204006393042
Energy: 1.1669456724347236
Energy: 1.0110654169980289
Energy: 1.1669456724353158
Energy: 1.0671243479995893
Energy: 1.1658781621643135
Energy: 1.0103274164491036
Energy: 1.1658781621654977
Energy: 1.0593704882012671
Energy: 1.1136128237149423
Energy: 1.065280660017594
Energy: 1.1136128237149423
Energy: 0.9959322396080141
Energy: 1.1133932479516406
Energy: 1.055626286100621
Energy: 1.1133932479516406
Energy: 1.043451260906784
Energy: 0.9981334986732707
Energy: 0.9971351114453437
Energy: 0.9981334986738629
Energy: 0.9448489599842053
Energy: 0.9974126912495362
Energy: 0.9968490086461721
Energy: 0.997412691248944
Energy: 1.0106313126229738
Energy: 1.0096580790575318
Energy: 0.9443962698578826
Energy: 1.0096580790569398
Energy: 0.9964196055817058
Energy: 0.996901872790622
Energy: 1.0450349869308748
Energy: 0.99690187279003
Energy: 0.9966878061812352
Energy: 1.0133347716722203
Energy: 1.0134011385125083
Energy: 1.0133347716716286
Energy: 0.9955307858620074
Energy: 0.9968036833238964
Energy: 0.9956514339125152
Energy: 0.9968036833233044
Energy: 0.997684901744651
Energy: 0.9964577959741657
Energy: 1.0574821838825388
Energy: 0.9964577959729819
Energy: 0.9965964886643026
Energy: 0.996386877213589
Energy: 0.9958678034197865
Energy: 0.9963868772129969
Energy: 1.0581755247959919
Energy: 1.112846251053429
Energy: 1.0606547319433024
Energy: 1.112846251053429
Energy: 1.0087818542661398
Energy: 1.1121028945889966
Energy: 1.0606631551120265
Energy: 1.1121028945884048
Energy: 1.05910983835942
Energy: 1.1683170318275504
Energy: 1.0677691967384912
Energy: 1.1683170318275504
Energy: 1.0691256785712424
Energy: 1.1658903981619788
Energy: 1.0691286965373943
Energy: 1.1658903981613866
Energy: 1.0116977838130667
Energy: 1.1668146558410981
Energy: 1.0664632713273836
Energy: 1.1668146558399137
Energy: 1.0103636848964397
Energy: 1.1665059175028314
Energy: 1.068273104531745
Energy: 1.1665059175028314
Energy: 1.0650378536428833
Energy: 1.1139376397421876
Energy: 0.9954028535848678
Energy: 1.1139376397421876
Energy: 1.055699755907008
Energy: 1.1129125719523865
Energy: 0.9957811865791055
Energy: 1.1129125719529784
Energy: 0.9977002254107538
Energy: 0.9981384270768727
Energy: 1.0438312677130475
Energy: 0.9981384270762808
Energy: 0.9967889424223879
Energy: 0.9973518499923643
Energy: 0.9446861213292405
Energy: 0.9973518499935484
Energy: 0.9443523747431559
Energy: 1.0092896449814799
Energy: 1.00933054632358
Energy: 1.0092896449814799

minimum gb energy = 0.9443523747431559 eV
minimum distance =  2.60867230972976 Angstroms
sigma value = 1


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

Energy: 1.2020337395346106
Energy: 1.0085026133877741
Energy: 1.0825647698232121
Energy: 1.008502613385749
Energy: 1.1201759634425712
Energy: 1.114262319318632
Energy: 1.0649168419071748
Energy: 1.114262319317282
Energy: 1.0796858043342998
Energy: 1.0788419305390617
Energy: 1.0636133467107212
Energy: 1.078841930537712
Energy: 1.0631989202606953
Energy: 1.0663505089354948
Energy: 1.064930812037097
Energy: 1.0663505089375198
Energy: 1.0631643682942369
Energy: 1.0671681596069102
Energy: 1.0636819738058714
Energy: 1.06716815960556
Energy: 1.0632670439743013
Energy: 1.209630806993244
Energy: 1.065154101327321
Energy: 1.209630806991894
Energy: 1.0642925837596617
Energy: 1.1972622068436347
Energy: 1.1327686632315865
Energy: 1.1972622068449845
Energy: 1.1342573065236137
Energy: 1.205134695972471
Energy: 1.0769994201330433
Energy: 1.205134695971121
Energy: 1.0772511320587692
Energy: 1.2469584993019585
Energy: 1.1397487580963672
Energy: 1.2469584992992586
Energy: 1.077367159560841
Energy: 1.2466638173813969
Energy: 1.1411860694016596
Energy: 1.2466638173834215
Energy: 1.138401455113548
Energy: 1.1985363310666255
Energy: 1.0624345965098962
Energy: 1.1985363310666255
Energy: 1.1301363150734551
Energy: 1.1980288786824385
Energy: 1.0631174758207083
Energy: 1.1980288786851383
Energy: 1.065619178319524
Energy: 1.0670287357817343
Energy: 1.1189516394935264
Energy: 1.0670287357830843
Energy: 1.0649174191049535
Energy: 1.066245964193582
Energy: 1.0029810774995125
Energy: 1.0662459641949318
Energy: 1.0029349703161587
Energy: 1.0766356663882344
Energy: 1.0787459723468338
Energy: 1.0766356663889094
Energy: 1.1202878794468116
Energy: 1.0646321339461127
Energy: 1.0647235810652802
Energy: 1.064632133948107
Energy: 1.081453029602191
Energy: 1.0818111158509462
Energy: 1.0636104732232252
Energy: 1.0818111158502712
Energy: 1.0630498698866238
Energy: 1.0649642607905987
Energy: 1.0623481493748554
Energy: 1.0649642607892487
Energy: 1.0769169962277139
Energy: 1.0645921619210863
Energy: 1.064399472357862
Energy: 1.0645921619204113
Energy: 1.0632008740556316
Energy: 1.065494295179685
Energy: 1.0651091721905883
Energy: 1.0654942951810351
Energy: 1.062973373467532
Energy: 1.1976645999759636
Energy: 1.1334777568729288
Energy: 1.1976645999732636
Energy: 1.0635954041778146
Energy: 1.1957140404365083
Energy: 1.0768250639602313
Energy: 1.1957140404378581
Energy: 1.0769818620156895
Energy: 1.2469839199875523
Energy: 1.139920980376892
Energy: 1.246983919986202
Energy: 1.0777573524070188
Energy: 1.2466435087138001
Energy: 1.1413677492554102
Energy: 1.2466435087151502
Energy: 1.1384562232312274
Energy: 1.1987082116903736
Energy: 1.0623197899133054
Energy: 1.1987082116876735
Energy: 1.1304052086988563
Energy: 1.1970848657583304
Energy: 1.0629836540179622
Energy: 1.1970848657603552
Energy: 1.066640912270298
Energy: 1.0671898739833314
Energy: 1.1189324488238193
Energy: 1.0671898739840064
Energy: 1.0648501467691451
Energy: 1.0658773409237503
Energy: 1.0029022740873639
Energy: 1.0658773409230753
Energy: 1.0028142798553306
Energy: 1.0765248052770875
Energy: 1.0769073891987069
Energy: 1.0765248052770875

minimum gb energy = 1.0028142798553306 eV
minimum distance =  2.60950405302511 Angstroms
sigma value = 25


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

Energy: 1.7560613375859733
Energy: 1.076963012806327
Energy: 1.1598294066216615
Energy: 1.076963012806327
Energy: 1.2253440600956782
Energy: 1.189814408978355
Energy: 1.1438746502961694
Energy: 1.1898144089791398
Energy: 1.1547682240432942
Energy: 1.15467354590295
Energy: 1.1422393286276775
Energy: 1.1546735459037347
Energy: 1.1544612982757958
Energy: 1.146262517566529
Energy: 1.1436327328647087
Energy: 1.1462625175657444
Energy: 1.1418698414328363
Energy: 1.1485365165350305
Energy: 1.1427286764678772
Energy: 1.1485365165358152
Energy: 1.1399448082506924
Energy: 1.144159025569774
Energy: 1.1435448458959714
Energy: 1.1441590255705585
Energy: 1.141375608923804
Energy: 1.2987266897239147
Energy: 1.214053684458132
Energy: 1.2987266897239147
Energy: 1.1414544221447553
Energy: 1.295381028442101
Energy: 1.0882166487222302
Energy: 1.295381028442101
Energy: 1.2166829116414217
Energy: 1.3021716871692877
Energy: 1.2077704167667147
Energy: 1.302171687168503
Energy: 1.1397211313127051
Energy: 1.2984056180919221
Energy: 1.1438431189119347
Energy: 1.2984056180919221
Energy: 1.0687580366091798
Energy: 1.148168293316033
Energy: 1.1434079227060912
Energy: 1.1481682933168178
Energy: 1.0689864122982906
Energy: 1.144376275344818
Energy: 1.1433906662792004
Energy: 1.144376275344818
Energy: 1.1542136177354865
Energy: 1.1541235307295425
Energy: 1.0685627487168892
Energy: 1.1541235307295425
Energy: 1.161287185172148
Energy: 1.140454443287067
Energy: 1.2253406828950224
Energy: 1.1404544432878512
Energy: 1.141998710212529
Energy: 1.1542228923410005
Energy: 1.1610638251744934
Energy: 1.1542228923402158
Energy: 1.1611690750068537
Energy: 1.1399882695814016
Energy: 1.1544189139655747
Energy: 1.1399882695814016
Energy: 1.1440843648822343
Energy: 1.1398895809032592
Energy: 1.1418794911874397
Energy: 1.1398895809024745
Energy: 1.144717939959588
Energy: 1.1444685945401782
Energy: 1.1399388656943483
Energy: 1.1444685945401782
Energy: 1.2140962484495537
Energy: 1.299127918499948
Energy: 1.1399843093888333
Energy: 1.299127918499948
Energy: 1.0891069771935904
Energy: 1.2990507679204317
Energy: 1.1400648247023006
Energy: 1.2990507679204317
Energy: 1.2079609762791872
Energy: 1.3023894188874072
Energy: 1.2167785850867858
Energy: 1.3023894188881917
Energy: 1.2080869846080267
Energy: 1.300701246639268
Energy: 1.1405362985149725
Energy: 1.300701246639268
Energy: 1.1467184296361905
Energy: 1.1483502768426188
Energy: 1.0689159657004024
Energy: 1.1483502768434035
Energy: 1.143494932198326
Energy: 1.1443336960600476
Energy: 1.0688492190285976
Energy: 1.1443336960522008
Energy: 1.0685360965179171
Energy: 1.1541567941836282
Energy: 1.154710353081987
Energy: 1.1541567941836282

minimum gb energy = 1.0685360965179171 eV
minimum distance =  2.61205393012604 Angstroms
sigma value = 9


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

Energy: 1.6471545315790095
Energy: 1.1524902245555697
Energy: 1.2417784087907802
Energy: 1.152490224554634
Energy: 1.3238866364735542
Energy: 1.2725123821503788
Energy: 1.252422917295435
Energy: 1.2725123821494426
Energy: 1.2408081400891298
Energy: 1.241496492650339
Energy: 1.252263077461584
Energy: 1.241496492650339
Energy: 1.2409385509719184
Energy: 1.2731013739252965
Energy: 1.2337499146419049
Energy: 1.2731013739243606
Energy: 1.2300651729058727
Energy: 1.245140106782194
Energy: 1.2328469369775437
Energy: 1.245140106782194
Energy: 1.222997497190075
Energy: 1.2346127244063085
Energy: 1.234036514471144
Energy: 1.2346127244063085
Energy: 1.3028146834836047
Energy: 1.4266012867676678
Energy: 1.2342384204330847
Energy: 1.4266012867667532
Energy: 1.2343617316048219
Energy: 1.4081938219217793
Energy: 1.233533673487373
Energy: 1.4081938219217793
Energy: 1.23484053665556
Energy: 1.2448895496745134
Energy: 1.1396427505761446
Energy: 1.2448895496735772
Energy: 1.2339133918339102
Energy: 1.245416885824738
Energy: 1.1398427003573854
Energy: 1.245416885824738
Energy: 1.139960323340811
Energy: 1.241238741027787
Energy: 1.2413929234303354
Energy: 1.241238741026851
Energy: 1.3228590941181386
Energy: 1.2229447940071498
Energy: 1.2522448352168107
Energy: 1.2229447940071498
Energy: 1.2522577639414245
Energy: 1.241373223597013
Energy: 1.2523713020011278
Energy: 1.241373223597949
Energy: 1.2410935924510553
Energy: 1.223175424440328
Energy: 1.241353798001591
Energy: 1.2231754244393918
Energy: 1.2300710360662326
Energy: 1.2224250537896943
Energy: 1.2342873718997924
Energy: 1.2224250537906305
Energy: 1.22275399589831
Energy: 1.245773811081045
Energy: 1.2337154514043953
Energy: 1.245773811081045
Energy: 1.3025189535726012
Energy: 1.4361145414612206
Energy: 1.2344513074335268
Energy: 1.4361145414612206
Energy: 1.3025346126889341
Energy: 1.4283324223103073
Energy: 1.2335385807585237
Energy: 1.4283324223112435
Energy: 1.2351963522487437
Energy: 1.2448953732464276
Energy: 1.1396954229674492
Energy: 1.2448953732454915
Energy: 1.2342433460529136
Energy: 1.2454334420772846
Energy: 1.1398222119613524
Energy: 1.2454334420763487
Energy: 1.138639928524991
Energy: 1.240693181565795
Energy: 1.2402690011733197
Energy: 1.240693181565795

minimum gb energy = 1.138639928524991 eV
minimum distance =  2.61617888073394 Angstroms
sigma value = 25


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

Energy: 1.4784865164248142
Energy: 1.2281691422650443
Energy: 1.3548009826046457
Energy: 1.228169142266202
Energy: 1.3422012746358623
Energy: 1.313943823888737
Energy: 1.353031480610984
Energy: 1.3139438238875794
Energy: 1.339194579526134
Energy: 1.3390730534312356
Energy: 1.3522833735094473
Energy: 1.3390730534312356
Energy: 1.339241893999039
Energy: 1.3145313542361798
Energy: 1.2500589037512193
Energy: 1.3145313542350223
Energy: 1.2452367163671827
Energy: 1.250008642159214
Energy: 1.2500152397196684
Energy: 1.250008642159214
Energy: 1.2190288080516185
Energy: 1.4102679946266201
Energy: 1.2481622232296234
Energy: 1.4102679946266201
Energy: 1.213876188921531
Energy: 1.2500190477011313
Energy: 1.2498943127729907
Energy: 1.2500190477022886
Energy: 1.2138804081802992
Energy: 1.3147333313096874
Energy: 1.249854573902591
Energy: 1.3147333313085297
Energy: 1.3393578915413553
Energy: 1.3392511943763707
Energy: 1.4560159806767494
Energy: 1.3392511943763707
Energy: 1.3531339351057883
Energy: 1.2197922377920754
Energy: 1.4533487887150178
Energy: 1.2197922377943644
Energy: 1.3517454669867468
Energy: 1.3396732371927618
Energy: 1.3527068836879972
Energy: 1.3396732371927618
Energy: 1.3376813518630266
Energy: 1.2199377952523338
Energy: 1.3401241206485834
Energy: 1.2199377952523338
Energy: 1.2487282203161858
Energy: 1.4110083991737852
Energy: 1.245121199452367
Energy: 1.4110083991726277
Energy: 1.2500457203493158
Energy: 1.250079965075496
Energy: 1.2203625371690352
Energy: 1.2500799650743382
Energy: 1.249747789972046
Energy: 1.2495528329345922
Energy: 1.2137126057329644
Energy: 1.24955283293575
Energy: 1.2493403428266265
Energy: 1.2499405988113903
Energy: 1.2138986297298962
Energy: 1.2499405988137053
Energy: 1.453667949521849
Energy: 1.3388028363068898
Energy: 1.3378182263038918
Energy: 1.3388028363068898

minimum gb energy = 1.2137126057329644 eV
minimum distance =  2.6248385497985 Angstroms
sigma value = 17


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

Energy: 1.9695057204978
Energy: 1.3835540211412978
Energy: 1.477155197544704
Energy: 1.3835540211406423
Energy: 1.2477959001882202
Energy: 1.2727747818740949
Energy: 1.3980504211774878
Energy: 1.2727747818740949
Energy: 1.3121470227650758
Energy: 1.311984838565753
Energy: 1.4538850579019287
Energy: 1.3119848385664086
Energy: 1.3121917346759973
Energy: 1.3257861343813588
Energy: 1.3099809300484302
Energy: 1.3257861343807034
Energy: 1.3123642940839935
Energy: 1.3810070158287022
Energy: 1.249498944911013
Energy: 1.381007015829358
Energy: 1.3107043695288507
Energy: 1.324766041758038
Energy: 1.3120599319587958
Energy: 1.3247660417567269
Energy: 1.3684548379922155
Energy: 1.310123007543169
Energy: 1.3103741427939077
Energy: 1.3101230075418575
Energy: 1.5350741994472283
Energy: 1.3099327354853445
Energy: 1.2732631401716001
Energy: 1.3099327354853445
Energy: 1.4702679678379902
Energy: 1.4544128340563829
Energy: 1.4549432490832228
Energy: 1.4544128340563829
Energy: 1.4542029146356288
Energy: 1.4544170061633583
Energy: 1.3963394187412743
Energy: 1.454417006164014
Energy: 1.3092666810224878
Energy: 1.2733045794651716
Energy: 1.2710059823489117
Energy: 1.273304579464516
Energy: 1.4551191896479814
Energy: 1.2736047329814166
Energy: 1.2739213950924477
Energy: 1.273604732982072
Energy: 1.369025401513114
Energy: 1.273383812741763
Energy: 1.274346986680467
Energy: 1.273383812741763
Energy: 1.3695003172525775
Energy: 1.2733181186161313
Energy: 1.2725138645885272
Energy: 1.2733181186167868
Energy: 1.4542356482326484
Energy: 1.453662877969534
Energy: 1.5363560080335468
Energy: 1.4536628779701897
Energy: 1.469062596771551
Energy: 1.4534571224078636
Energy: 1.536900911275247
Energy: 1.453457122407208
Energy: 1.4541250133965165
Energy: 1.3101590797647173
Energy: 1.312573498781446
Energy: 1.3101590797647173
Energy: 1.454078318095929
Energy: 1.3101675703130127
Energy: 1.308784511631499
Energy: 1.3101675703130127
Energy: 1.3112311158173968
Energy: 1.381103849319827
Energy: 1.312628996814518
Energy: 1.3811038493204828
Energy: 1.2515694122866445
Energy: 1.325971220239539
Energy: 1.312777490532359
Energy: 1.325971220239539
Energy: 1.3108877517196036
Energy: 1.3113548685477856
Energy: 1.5350086896488395
Energy: 1.3113548685477856
Energy: 1.3117123528148087
Energy: 1.3108898426899394
Energy: 1.3681884903286843
Energy: 1.3108898426873168
Energy: 1.3961823246375555
Energy: 1.3259852457424846
Energy: 1.3964484830285064
Energy: 1.3259852457431403
Energy: 1.472110525912333
Energy: 1.4546587903113668
Energy: 1.4548566281502218
Energy: 1.4546587903113668
Energy: 1.2730213665781627
Energy: 1.273331043892371
Energy: 1.4552096219877089
Energy: 1.273331043892371
Energy: 1.27387907608029
Energy: 1.2736306576224414
Energy: 1.3091605625230076
Energy: 1.273630657621786
Energy: 1.2707829902546175
Energy: 1.2737696067195001
Energy: 1.3703741990631138
Energy: 1.2737696067195001
Energy: 1.2737234345533586
Energy: 1.2733286316236239
Energy: 1.369267767994639
Energy: 1.2733286316229684
Energy: 1.273155449741132
Energy: 1.2733569276958001
Energy: 1.3688712853291463
Energy: 1.2733569276951444
Energy: 1.5381206176715998
Energy: 1.4550274556333676
Energy: 1.454433849234348
Energy: 1.4550274556333676

minimum gb energy = 1.2477959001882202 eV
minimum distance =  2.61568698772404 Angstroms
sigma value = 53


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

Energy: 1.8120262200173005
Energy: 1.2350804031526343
Energy: 1.3941924073242538
Energy: 1.2350804031541438
Energy: 1.5445716888958467
Energy: 1.3084234907714642
Energy: 1.3913783153376795
Energy: 1.308423490770847
Energy: 1.3909548710635928
Energy: 1.3906838974554547
Energy: 1.4028834593332473
Energy: 1.3906838974528821
Energy: 1.3908896194704203
Energy: 1.3090505002600212
Energy: 1.3891566774046078
Energy: 1.3090505002572943
Energy: 1.409223149093497
Energy: 1.3083651296761294
Energy: 1.2223015641784087
Energy: 1.3083651296762664
Energy: 1.3894687328218527
Energy: 1.3105074987445822
Energy: 1.2240465551147892
Energy: 1.3105074987441363
Energy: 1.5442946388263985
Energy: 1.3907565816834893
Energy: 1.3910379924845075
Energy: 1.390756581683335
Energy: 1.5443422881118007
Energy: 1.389860838365152
Energy: 1.3879758784795697
Energy: 1.3898608383653064
Energy: 1.3905324855483303
Energy: 1.3904459977365204
Energy: 1.4028816875216161
Energy: 1.3904459977365204
Energy: 1.389044774892883
Energy: 1.3903168458029478
Energy: 1.3908816892584819
Energy: 1.3903168458027935
Energy: 1.4092815420328888
Energy: 1.3132404939737707
Energy: 1.224867440602465
Energy: 1.313240493974663
Energy: 1.3906666007567081
Energy: 1.3077961837266625
Energy: 1.2192410184270672
Energy: 1.3077961837271255
Energy: 1.5443470871024811
Energy: 1.3898484792429784
Energy: 1.3885787935060823
Energy: 1.389848479243287

minimum gb energy = 1.2192410184270672 eV
minimum distance =  2.62010562758341 Angstroms
sigma value = 9


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

Energy: 1.7440419306208899
Energy: 1.4196236557845523
Energy: 1.5523003536930766
Energy: 1.4196236557839936
Energy: 1.3571764065276952
Energy: 1.2992199607626234
Energy: 1.513011524839884
Energy: 1.299219960763182
Energy: 1.3014501297490764
Energy: 1.3047779485169972
Energy: 1.4955484645868946
Energy: 1.3047779485169972
Energy: 1.3022035572983026
Energy: 1.301453297107181
Energy: 1.5881502494423985
Energy: 1.3014532971082982
Energy: 1.3002866891883322
Energy: 1.2985192837907407
Energy: 1.5859859722967058
Energy: 1.2985192837907407
Energy: 1.297729858183563
Energy: 1.2987616866266425
Energy: 1.5858753112534387
Energy: 1.2987616866266425
Energy: 1.515286750479931
Energy: 1.4965797933695764
Energy: 1.5140021419138485
Energy: 1.496579793368459
Energy: 1.5139850233141205
Energy: 1.4955316440107047
Energy: 1.4966288587020704
Energy: 1.4955316440095876
Energy: 1.3485529963461125
Energy: 1.4152958920148755
Energy: 1.367392151477504
Energy: 1.4152958920293999
Energy: 1.3048208009201638
Energy: 1.368544435385148
Energy: 1.4965203470831179
Energy: 1.3685444353857064
Energy: 1.346715378845428
Energy: 1.34657171064957
Energy: 1.4539602774708464
Energy: 1.3465717106490116
Energy: 1.3666942258621122
Energy: 1.349221323389285
Energy: 1.586430116601692
Energy: 1.3492213233904022
Energy: 1.5126747145070767
Energy: 1.3466187958157394
Energy: 1.3730313360051678
Energy: 1.3466187958157394
Energy: 1.514595434246403
Energy: 1.348075296923225
Energy: 1.3485929909773067
Energy: 1.348075296922108
Energy: 1.4955493429989732
Energy: 1.3659980387183563
Energy: 1.3518776936380443
Energy: 1.3659980387217083
Energy: 1.4038133362924108
Energy: 1.4236019366582455
Energy: 1.3651702367012977
Energy: 1.4236019366571284
Energy: 1.4959727092277983
Energy: 1.4200288900835678
Energy: 1.3487894345202238
Energy: 1.4200288900824505
Energy: 1.4965193161714478
Energy: 1.4983341395668128
Energy: 1.5886121113670062
Energy: 1.4983341395662544
Energy: 1.5130518429112993
Energy: 1.2988312658249854
Energy: 1.3581473070445256
Energy: 1.298831265845655
Energy: 1.4952872030371598
Energy: 1.3020562543664742
Energy: 1.3003027954364161
Energy: 1.3020562543664742
Energy: 1.5889078887362047
Energy: 1.299848862673035
Energy: 1.299256563825868
Energy: 1.299848862673035
Energy: 1.5859310069947261
Energy: 1.2979707887660805
Energy: 1.2988500563304042
Energy: 1.2979707887655474
Energy: 1.5858787158534295
Energy: 1.2992337653132744
Energy: 1.297466645082284
Energy: 1.2992337653132744
Energy: 1.5151791687671792
Energy: 1.4962185886875128
Energy: 1.515518128251513
Energy: 1.4962185886880717
Energy: 1.4972007822293285
Energy: 1.4955231650894474
Energy: 1.5144449325272429
Energy: 1.4955231650894474
Energy: 1.366516166690741
Energy: 1.4222008819131697
Energy: 1.3472252961662434
Energy: 1.4222008819120522
Energy: 1.496755823611559
Energy: 1.3681342551369613
Energy: 1.3047967030550176
Energy: 1.3681342551369613
Energy: 1.4533430207453677
Energy: 1.347269109081445
Energy: 1.3476073269437945
Energy: 1.3472691090808864
Energy: 1.5866442856615364
Energy: 1.443106388953309
Energy: 1.3654297895614824
Energy: 1.443106388953309
Energy: 1.3665729487269418
Energy: 1.3471751620488184
Energy: 1.5119270033742709
Energy: 1.3471751620482597
Energy: 1.3492789088615937
Energy: 1.3490457690840676
Energy: 1.49583408703163
Energy: 1.349045769083509
Energy: 1.3511543944867654
Energy: 1.34792149607235
Energy: 1.496093410912222
Energy: 1.34792149607235
Energy: 1.3659332140054063
Energy: 1.4233413156781518
Energy: 1.4039881352478558
Energy: 1.4233413156787105
Energy: 1.3476049291490535
Energy: 1.4223219504284712
Energy: 1.4035362351849356
Energy: 1.4223219504279123
Energy: 1.5881371515872105
Energy: 1.4977103660975986
Energy: 1.4962629696392675
Energy: 1.4977103660975986

minimum gb energy = 1.297466645082284 eV
minimum distance =  2.57887391413779 Angstroms
sigma value = 73


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

Energy: 1.8973655332543173
Energy: 1.3740641566061447
Energy: 1.4396170571231546
Energy: 1.3740641566052583
Energy: 1.3718136534204455
Energy: 1.3195240088092761
Energy: 1.4517513651820158
Energy: 1.3195240088101625
Energy: 1.3237407751936392
Energy: 1.3243147277399119
Energy: 1.4858502015630313
Energy: 1.324314727740798
Energy: 1.323890543771717
Energy: 1.3228578027109301
Energy: 1.5708983772965468
Energy: 1.3228578027109301
Energy: 1.3238299559004678
Energy: 1.3244797639923527
Energy: 1.5241733987519501
Energy: 1.3244797639914665
Energy: 1.402645026619107
Energy: 1.32481033826424
Energy: 1.5240942699654854
Energy: 1.32481033826424
Energy: 1.4771375196214056
Energy: 1.487466162203763
Energy: 1.5071786868945274
Energy: 1.487466162203763
Energy: 1.401086664610518
Energy: 1.4850865758678895
Energy: 1.484855585115987
Energy: 1.485086575868776
Energy: 1.3735679007634705
Energy: 1.4855784625123065
Energy: 1.4859722242571094
Energy: 1.4855784625123065
Energy: 1.350711025263217
Energy: 1.3252794576413645
Energy: 1.4860387582166839
Energy: 1.3252794576413645
Energy: 1.3930093544635576
Energy: 1.2914459084469845
Energy: 1.486080998826927
Energy: 1.2914459084469845
Energy: 1.380405779556183
Energy: 1.2929302519799244
Energy: 1.5589557726781877
Energy: 1.2929302519799244
Energy: 1.486237496189165
Energy: 1.3887777447463343
Energy: 1.3654587093337018
Energy: 1.3887777447463343
Energy: 1.4860604693871033
Energy: 1.364475219030399
Energy: 1.36317173557588
Energy: 1.364475219030399
Energy: 1.5124534411315715
Energy: 1.3642533600392832
Energy: 1.3638741702959971
Energy: 1.364253360038397
Energy: 1.5100986564014736
Energy: 1.3665691758577307
Energy: 1.364087078651923
Energy: 1.366569175858617
Energy: 1.5231335433379867
Energy: 1.3656708872047094
Energy: 1.3634431494967827
Energy: 1.3656708872055956
Energy: 1.4579463949446203
Energy: 1.5365893155440447
Energy: 1.5579167936992808
Energy: 1.5365893155440447
Energy: 1.4456883416379138
Energy: 1.4471878994058547
Energy: 1.40177890868112
Energy: 1.4471878994058547
Energy: 1.4448182964097713
Energy: 1.415215006996461
Energy: 1.4386967396184591
Energy: 1.415215006996461
Energy: 1.4453575989001963
Energy: 1.4261280060743549
Energy: 1.3535930869334447
Energy: 1.4261280060752415
Energy: 1.5867469369437643
Energy: 1.4373311733851875
Energy: 1.4377957391208596
Energy: 1.437331173384301

minimum gb energy = 1.2914459084469845 eV
minimum distance =  2.56778100509324 Angstroms
sigma value = 7


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

Energy: 2.2479355993243804
Energy: 1.3382173303630813
Energy: 1.5251863819035036
Energy: 1.3382173303649327
Energy: 1.4216409106904104
Energy: 1.4283465163265956
Energy: 1.4413696470936979
Energy: 1.4283465163247155
Energy: 1.317254959202675
Energy: 1.3201969893337844
Energy: 1.4442953636396603
Energy: 1.3201969893312775
Energy: 1.3231991555370555
Energy: 1.3244654428449143
Energy: 1.5916347835288849
Energy: 1.3244654428449143
Energy: 1.315813932042137
Energy: 1.3169792595789154
Energy: 1.5270732466930033
Energy: 1.3169792595782885
Energy: 1.3310706172128222
Energy: 1.3169077590811025
Energy: 1.527495286855748
Energy: 1.3169077590817289
Energy: 1.5145161901067739
Energy: 1.3185379452848547
Energy: 1.3268438918565655
Energy: 1.318537945286108
Energy: 1.4432413544234635
Energy: 1.31638026802151
Energy: 1.3144230450814947
Energy: 1.3163802680183763
Energy: 1.5145915813260897
Energy: 1.3265082065325442
Energy: 1.3240042085736698
Energy: 1.3265082065337974
Energy: 1.5284271014817299
Energy: 1.510786608941732
Energy: 1.315676865717716
Energy: 1.510786608941732
Energy: 1.4427133182245881
Energy: 1.4258312116093952
Energy: 1.4357902045966133
Energy: 1.4258312116106486
Energy: 1.4297339979397625
Energy: 1.430807270536733
Energy: 1.523050094078103
Energy: 1.430807270536106
Energy: 1.4287745643647207
Energy: 1.4278112442818987
Energy: 1.428360280539295
Energy: 1.4278112442806452
Energy: 1.4287924148943099
Energy: 1.406531835850912
Energy: 1.3256726699162016
Energy: 1.4065318358521655
Energy: 1.4275384076210886
Energy: 1.4273738158769123
Energy: 1.3250131335093083
Energy: 1.427373815879419
Energy: 1.4997047224312083
Energy: 1.430380716554933
Energy: 1.4285985923404116
Energy: 1.4303807165568132
Energy: 1.4232510526513131
Energy: 1.4257305080136022
Energy: 1.4436571684591006
Energy: 1.425730508014229
Energy: 1.3156342659973521
Energy: 1.510936773548334
Energy: 1.443575050558828
Energy: 1.5109367735502142
Energy: 1.3241231344482807
Energy: 1.3266377620743541
Energy: 1.5146374619628151
Energy: 1.3266377620743541
Energy: 1.3143548024778722
Energy: 1.316171622999835
Energy: 1.4317036860982608
Energy: 1.3161716230017153
Energy: 1.3275908528912486
Energy: 1.3185462731955526
Energy: 1.5275746027620192
Energy: 1.3185462731942994
Energy: 1.5145172222670074
Energy: 1.3169627015387468
Energy: 1.3314284528932052
Energy: 1.3169627015374934
Energy: 1.5172793013180175
Energy: 1.317122284275132
Energy: 1.3157998310886587
Energy: 1.317122284275132
Energy: 1.438266185447858
Energy: 1.325347310194642
Energy: 1.3238212558386206
Energy: 1.3253473101921354
Energy: 1.528190253228193
Energy: 1.320177676850923
Energy: 1.3174562206774052
Energy: 1.3201776768540565
Energy: 1.5296456990054512
Energy: 1.428137072643608
Energy: 1.3189746617975933
Energy: 1.4281370726429814
Energy: 1.427885715645233
Energy: 1.4285344991791276
Energy: 1.9167937378528837
Energy: 1.4285344991791276
Energy: 1.4255139711443015
Energy: 1.4289770750903068
Energy: 1.4278778524170326
Energy: 1.4289770750915602
Energy: 1.446829938223486
Energy: 1.4031805834446396
Energy: 1.4286102724172056
Energy: 1.4031805834452664
Energy: 1.4253400189489762
Energy: 1.4275965240816515
Energy: 1.3381548573242235
Energy: 1.4275965240841582
Energy: 1.501581438254773
Energy: 1.426560649813927
Energy: 1.4273267910360161
Energy: 1.4265606498158068

minimum gb energy = 1.3143548024778722 eV
minimum distance =  2.57116969978576 Angstroms
sigma value = 29


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

Energy: 1.2715928131800143
Energy: 1.272346157262439
Energy: 1.2945038119810512
Energy: 1.2723461572620267
Energy: 1.2815385658217175
Energy: 1.3791920371002437
Energy: 1.2862240124237474
Energy: 1.3791920370996131
Energy: 1.2877850269051638
Energy: 1.3692283137025179
Energy: 1.2730150281830253
Energy: 1.3692283137025179
Energy: 1.2782851276840452
Energy: 1.288853265503755
Energy: 1.2885192543000805
Energy: 1.2888532655031244
Energy: 1.2881129755274439
Energy: 1.2894732418247978
Energy: 1.2758990485481774
Energy: 1.289473241824361
Energy: 1.2887318530564407
Energy: 1.375338626181781
Energy: 1.2766897068552856
Energy: 1.375338626181781
Energy: 1.2722157182692992
Energy: 1.3689380936908928
Energy: 1.2880608309369903
Energy: 1.3689380936902622
Energy: 1.2858783000048466
Energy: 1.2889998774165974
Energy: 1.2810399444982523
Energy: 1.2889998774170341
Energy: 1.2819782213357607
Energy: 1.2878949230255097
Energy: 1.287253222215873
Energy: 1.287894923025728

minimum gb energy = 1.2715928131800143 eV
minimum distance =  2.5917796783326 Angstroms
sigma value = 5


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

Energy: 1.7738951762651087
Energy: 1.1886078202859687
Energy: 1.4295158939458648
Energy: 1.1886078202853767
Energy: 1.2425778644537564
Energy: 1.221321810120832
Energy: 1.4406029809615013
Energy: 1.221321810121424
Energy: 1.4365206260671979
Energy: 1.3121610963193813
Energy: 1.4404756904640645
Energy: 1.3121610963193813
Energy: 1.2429606576950871
Energy: 1.2157169633387017
Energy: 1.426042927259512
Energy: 1.2157169633387017
Energy: 1.4251408418933589
Energy: 1.2159149058911034
Energy: 1.4347267693679235
Energy: 1.2159149058899195
Energy: 1.215639526367275
Energy: 1.2162613319505602
Energy: 1.4341158337217144
Energy: 1.2162613319511522
Energy: 1.216260002781807
Energy: 1.2153978479518526
Energy: 1.427290525856672
Energy: 1.2153978479518526
Energy: 1.2282592728058892
Energy: 1.2211135409774212
Energy: 1.6067648576722364
Energy: 1.2211135409774212
Energy: 1.247757745290576
Energy: 1.2561982284836477
Energy: 1.606092621731751
Energy: 1.2561982284830557
Energy: 1.4363920181270255
Energy: 1.1904688186132348
Energy: 1.1912566570075094
Energy: 1.1904688186132348
Energy: 1.2457691638209296
Energy: 1.1903404458037465
Energy: 1.1914736993430624
Energy: 1.1903404458049305
Energy: 1.6038960985868074
Energy: 1.1890976989743813
Energy: 1.1903404779603768
Energy: 1.1890976989743813
Energy: 1.6043041967425737
Energy: 1.1899528867758182
Energy: 1.190483120097496
Energy: 1.1899528867740425
Energy: 1.243284915200777
Energy: 1.2545801062883
Energy: 1.4370547106105818
Energy: 1.254580106289484
Energy: 1.2164331367351067
Energy: 1.2165069841124063
Energy: 1.4345183876155856
Energy: 1.2165069841141825
Energy: 1.2209342560464265
Energy: 1.218873134685469
Energy: 1.42559701727575
Energy: 1.218873134685469
Energy: 1.2162333798192804
Energy: 1.215858441777472
Energy: 1.2403918600869455
Energy: 1.215858441777472
Energy: 1.4287682483180597
Energy: 1.2254915666678106
Energy: 1.2428123829351363
Energy: 1.2254915666678106
Energy: 1.4403870585256613
Energy: 1.312975232006079
Energy: 1.4381548261474253
Energy: 1.3129752320054868
Energy: 1.4277261421344674
Energy: 1.2154996993766873
Energy: 1.2406465856118374
Energy: 1.2154996993766873
Energy: 1.4339947123993413
Energy: 1.216826238581344
Energy: 1.4263814890633593
Energy: 1.216826238581344
Energy: 1.435392130606988
Energy: 1.2157868991312646
Energy: 1.2162705070568645
Energy: 1.2157868991312646
Energy: 1.4258569604562528
Energy: 1.2158249072228993
Energy: 1.2172425734817247
Energy: 1.2158249072234915
Energy: 1.6070923825703114
Energy: 1.2198853611846432
Energy: 1.2216386556161745
Energy: 1.2198853611846432
Energy: 1.6062289561798042
Energy: 1.2547967711659327
Energy: 1.2453693124830691
Energy: 1.2547967711665247
Energy: 1.1902353074342389
Energy: 1.190738549496315
Energy: 1.436527163161823
Energy: 1.190738549495723
Energy: 1.191477985370809
Energy: 1.1905648773273743
Energy: 1.2479519781902249
Energy: 1.1905648773273743
Energy: 1.1908380703248078
Energy: 1.1897682336559336
Energy: 1.2627442755577345
Energy: 1.1897682336565258
Energy: 1.1899175863324352
Energy: 1.1905043851580583
Energy: 1.6042230867154637
Energy: 1.1905043851574664
Energy: 1.4349540060302084
Energy: 1.2540577563130753
Energy: 1.2432773308419913
Energy: 1.2540577563124833
Energy: 1.4366092024551682
Energy: 1.217745148263714
Energy: 1.2184136629129658
Energy: 1.217745148263714
Energy: 1.4252691938674893
Energy: 1.2172762696668276
Energy: 1.217863425609716
Energy: 1.2172762696668276
Energy: 1.2419706532743948
Energy: 1.2156910106682388
Energy: 1.215801902132829
Energy: 1.215691010667647

minimum gb energy = 1.1886078202853767 eV
minimum distance =  2.56750342788218 Angstroms
sigma value = 1


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

Energy: 1.640366867421856
Energy: 1.1405864266930732
Energy: 1.3927833864926744
Energy: 1.1405864266922547
Energy: 1.3157657102930023
Energy: 1.168809979244508
Energy: 1.471403840867652
Energy: 1.1688099792436895
Energy: 1.3511038609954218
Energy: 1.2895705997387945
Energy: 1.4730402911234872
Energy: 1.2895705997371574
Energy: 1.3293183710737246
Energy: 1.2890552401266833
Energy: 1.457432541475832
Energy: 1.2890552401275017
Energy: 1.335000686795333
Energy: 1.1750478304236194
Energy: 1.3330489958880878
Energy: 1.1750478304236194
Energy: 1.1749178933875706
Energy: 1.1751192532330341
Energy: 1.3327608052245827
Energy: 1.1751192532322154
Energy: 1.174750511216124
Energy: 1.1743434360747818
Energy: 1.4587826531179837
Energy: 1.1743434360747818
Energy: 1.1817805069482614
Energy: 1.1807003236771265
Energy: 1.5829607027889354
Energy: 1.180700323676308
Energy: 1.1840115366033075
Energy: 1.2337045514965812
Energy: 1.5824733101293638
Energy: 1.2337045514965812
Energy: 1.5749719878652888
Energy: 1.1249700733367447
Energy: 1.2734362629066802
Energy: 1.1249700733310146
Energy: 1.1868933144181242
Energy: 1.1225417996586724
Energy: 1.2737512059063214
Energy: 1.1225417996586724
Energy: 1.7010848003931245
Energy: 1.121819858151468
Energy: 1.272046465295199
Energy: 1.1218198581522865
Energy: 1.7014867369856719
Energy: 1.1224325801024004
Energy: 1.2725770321305439
Energy: 1.1224325801024004
Energy: 1.1840877305647528
Energy: 1.2458807674157875
Energy: 1.563428359969377
Energy: 1.2458807674157875
Energy: 1.3310497457128838
Energy: 1.2428301101567547
Energy: 1.5632038815691798
Energy: 1.2428301101575734
Energy: 1.3287059884802837
Energy: 1.3876785180335527
Energy: 1.4591194088117891
Energy: 1.3876785180335527
Energy: 1.1759717458161307
Energy: 1.175079735144906
Energy: 1.3348500731858417
Energy: 1.1750797351440876
Energy: 1.1783975389832173
Energy: 1.1831136283313881
Energy: 1.3205432217029967
Energy: 1.1831136283313881
Energy: 1.1747074831422504
Energy: 1.174026477556603
Energy: 1.5824077327072728
Energy: 1.174026477556603
Energy: 1.1760734956242602
Energy: 1.1827848967396755
Energy: 1.582805405961662
Energy: 1.1827848967396755
Energy: 1.575324045417857
Energy: 1.1658829090513674
Energy: 1.457492841241104
Energy: 1.1658829090513674
Energy: 1.5758888306654666
Energy: 1.1673710278628417
Energy: 1.170039198578774
Energy: 1.1673710278628417
Energy: 1.3344186891396408
Energy: 1.1649663950565334
Energy: 1.1669774765623668
Energy: 1.1649663950565334
Energy: 1.5809055879008274
Energy: 1.1643469636906305
Energy: 1.1646439770617159
Energy: 1.1643469636906305

minimum gb energy = 1.121819858151468 eV
minimum distance =  2.55495526390106 Angstroms
sigma value = 17


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

Energy: 1.2746995264269607
Energy: 1.1081857894914056
Energy: 1.371620808146849
Energy: 1.1081857894908995
Energy: 1.1486462702079985
Energy: 1.1331245136624704
Energy: 1.3191044828655025
Energy: 1.1331245136624704
Energy: 1.4828293736012261
Energy: 1.1269692363731854
Energy: 1.322997306904785
Energy: 1.1269692363731854
Energy: 1.4779345399833148
Energy: 1.1906895191978335
Energy: 1.3132603251823551
Energy: 1.1906895191993512
Energy: 1.2937639997345443
Energy: 1.1081196074961421
Energy: 1.369747345139511
Energy: 1.108119607495636
Energy: 1.1088384084073508
Energy: 1.1076308084579491
Energy: 1.487571780267618
Energy: 1.1076308084579491
Energy: 1.1086271319401408
Energy: 1.1075367127851914
Energy: 1.1482542953675567
Energy: 1.1075367127856972
Energy: 1.109980301924439
Energy: 1.1078650365090696
Energy: 1.2597204960351236
Energy: 1.1078650365095757
Energy: 1.4940360428943196
Energy: 1.1073013248819878
Energy: 1.4841093379874364
Energy: 1.1073013248814818
Energy: 1.3244599941626038
Energy: 1.1943095575014313
Energy: 1.3144933726046895
Energy: 1.194309557502949
Energy: 1.490743100303172
Energy: 1.1266139810378661
Energy: 1.1448377876258033
Energy: 1.1266139810373603
Energy: 1.4874060153176654
Energy: 1.1271604969934836
Energy: 1.315289848657227
Energy: 1.12716049699399
Energy: 1.3704287789215714
Energy: 1.1262208537596152
Energy: 1.1270609428711562
Energy: 1.1262208537586034
Energy: 1.3233194727702744
Energy: 1.1278473910016606
Energy: 1.129423803267557
Energy: 1.1278473910016606
Energy: 1.4763425717580947
Energy: 1.1307603490894995
Energy: 1.13292234292754
Energy: 1.1307603490894995
Energy: 1.4958964240642008
Energy: 1.1278918698401001
Energy: 1.1294026303398117
Energy: 1.1278918698401001
Energy: 1.1277825839695552
Energy: 1.1318264775549793
Energy: 1.363871832608759
Energy: 1.1318264775544733
Energy: 1.1273193768728802
Energy: 1.1267003378222868
Energy: 1.4941822322713767
Energy: 1.126700337820769
Energy: 1.1291731192341528
Energy: 1.1312461896851078
Energy: 1.3172388383098534
Energy: 1.1312461896846018
Energy: 1.1297542813292771
Energy: 1.127233136639655
Energy: 1.245279749107754
Energy: 1.1272331366426906
Energy: 1.3209256418825113
Energy: 1.130329435817319
Energy: 1.2952755203523867
Energy: 1.130329435817319
Energy: 1.3216287031699097
Energy: 1.1325844300812746
Energy: 1.4853521742661666
Energy: 1.1325844300610375
Energy: 1.3138385798285768
Energy: 1.1881537783092013
Energy: 1.4772323940718197
Energy: 1.1881537783102132
Energy: 1.362381637096983
Energy: 1.108809607385521
Energy: 1.2938175344847838
Energy: 1.1088096073905802
Energy: 1.4878145745479396
Energy: 1.1079248429143178
Energy: 1.108141905413212
Energy: 1.1079248429148238
Energy: 1.314033051534276
Energy: 1.1084444311594832
Energy: 1.1094022939193358
Energy: 1.1084444311589774
Energy: 1.2452161776910742
Energy: 1.107475578143485
Energy: 1.1088622378595707
Energy: 1.107475578143485
Energy: 1.316858636841447
Energy: 1.1083466141471718
Energy: 1.4893003434016792
Energy: 1.1083466141471718
Energy: 1.3170618382193597
Energy: 1.1902629260398603
Energy: 1.322723871715544
Energy: 1.1902629260398603
Energy: 1.1457770154969082
Energy: 1.1270091950392693
Energy: 1.4895543473162258
Energy: 1.1270091950382575
Energy: 1.3137812239390336
Energy: 1.1264506996187935
Energy: 1.487433101642775
Energy: 1.1264506996182875
Energy: 1.1270767341460801
Energy: 1.1262837321471937
Energy: 1.4878917727350143
Energy: 1.1262837321476995
Energy: 1.1275013441698754
Energy: 1.126832101546083
Energy: 1.3244030061600733
Energy: 1.126832101545577
Energy: 1.1328950446809614
Energy: 1.1326039203390739
Energy: 1.4763571228391894
Energy: 1.1326039203400855
Energy: 1.3291985814158067
Energy: 1.1631762153051104
Energy: 1.4956601273112093
Energy: 1.1631762153056164
Energy: 1.3632657715579617
Energy: 1.1283161957632457
Energy: 1.1276772660184646
Energy: 1.1283161957632457
Energy: 1.4929521815153173
Energy: 1.1263510797761354
Energy: 1.1266662724149272
Energy: 1.1263510797761354
Energy: 1.4825802238077366
Energy: 1.1279190731512971
Energy: 1.1297512564765506
Energy: 1.1279190731512971

minimum gb energy = 1.1073013248814818 eV
minimum distance =  2.56753440121928 Angstroms
sigma value = 89


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

Energy: 2.2272075033710523
Energy: 1.0263358334839385
Energy: 1.0354705867992817
Energy: 1.0263358334839385
Energy: 1.02573213585373
Energy: 1.1337257016504665
Energy: 1.0383883364257378
Energy: 1.1337257016506017
Energy: 1.030767928214926
Energy: 1.1339643457891653
Energy: 1.0355802305913733
Energy: 1.1339643457891653
Energy: 1.0272592931728204
Energy: 1.124940941597633
Energy: 1.0317199973799895
Energy: 1.1249409415979035
Energy: 1.031272140115685
Energy: 1.0341539113058025
Energy: 1.0453273574041113
Energy: 1.034153911305938
Energy: 1.0351271242597888
Energy: 1.0313443313162813
Energy: 1.0446793898852393
Energy: 1.0313443313164168
Energy: 1.0316714908283184
Energy: 1.0301881816873628
Energy: 1.0330942760260018
Energy: 1.0301881816873628
Energy: 1.0308758924240276
Energy: 1.0324902566063703
Energy: 1.026086164028534
Energy: 1.0324902566072882
Energy: 1.0338144896983472
Energy: 1.0299373151094522
Energy: 1.02515844001645
Energy: 1.0299373151093167
Energy: 1.0346148565396225
Energy: 1.1246762621639803
Energy: 1.0342532459419445
Energy: 1.1246762621643713
Energy: 1.0332912099629061
Energy: 1.1233619264620436
Energy: 1.0247839829656593
Energy: 1.1233619264616526
Energy: 1.0282474252898983
Energy: 1.0303023586413607
Energy: 1.033033766060442
Energy: 1.0303023586410898
Energy: 1.0460374967852764
Energy: 1.033745118274536
Energy: 1.0311724102285638
Energy: 1.033745118274416
Energy: 1.0323364964835444
Energy: 1.0293780255327107
Energy: 1.0299776628674224
Energy: 1.0293780255325908
Energy: 1.0406436979251668
Energy: 1.0335130515694215
Energy: 1.0366922138865913
Energy: 1.0335130515700834

minimum gb energy = 1.0247839829656593 eV
minimum distance =  2.59512871554575 Angstroms
sigma value = 13


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

Energy: 1.9497298718480134
Energy: 0.9443564484286798
Energy: 1.2339706613333694
Energy: 0.944356448428125
Energy: 0.9553748116064463
Energy: 0.9512788012713566
Energy: 1.1597350141162044
Energy: 0.9512788012708017
Energy: 0.955269075913605
Energy: 0.9491294273367075
Energy: 1.1632647797568527
Energy: 0.9491294273367075
Energy: 1.3583310387256007
Energy: 0.9479730503312864
Energy: 1.1615310401535663
Energy: 0.9479730503307316
Energy: 1.1644529467319868
Energy: 0.9513850821813827
Energy: 1.1632971723845142
Energy: 0.9513850821786085
Energy: 1.1632872384368622
Energy: 0.950646514216697
Energy: 1.1600704854017405
Energy: 0.950646514216697
Energy: 1.1629080845437212
Energy: 0.9494725581704208
Energy: 1.1595605226479004
Energy: 0.9494725581698661
Energy: 1.16131162718464
Energy: 0.9490190745138587
Energy: 1.1602177258721098
Energy: 0.949019074512749
Energy: 0.9487160527762557
Energy: 0.9476603251464678
Energy: 1.1645199540721223
Energy: 0.9476603251409194
Energy: 0.9487309786222067
Energy: 0.9481706547694775
Energy: 1.1643787872874245
Energy: 0.9481706547705872
Energy: 0.950663910571259
Energy: 0.9485062619648428
Energy: 0.9583834517551594
Energy: 0.9485062619631782
Energy: 1.1602231629577786
Energy: 1.0040802804943714
Energy: 1.1630170787152003
Energy: 1.0040802804943714
Energy: 1.1653355937139567
Energy: 1.003261518656985
Energy: 1.1585686597297626
Energy: 1.0032615186553204
Energy: 1.162009860310391
Energy: 1.003428694074556
Energy: 1.3587489592828765
Energy: 1.0034286940784398
Energy: 1.1611227623187137
Energy: 0.949108321361154
Energy: 1.1626799580538358
Energy: 0.9491083213655926
Energy: 1.1611071439097405
Energy: 0.951558049589828
Energy: 0.9579415895350497
Energy: 0.9515580495887185
Energy: 1.1589008896151503
Energy: 0.9497858007140013
Energy: 0.9497171609259637
Energy: 0.9497858007173303
Energy: 0.9618570195036548
Energy: 0.9492391984528138
Energy: 0.9513980261167387
Energy: 0.9492391984500396
Energy: 1.357498663954571
Energy: 0.9477164964644027
Energy: 1.158024133532713
Energy: 0.9477164964655126
Energy: 1.1643387069037643
Energy: 0.948185368427424
Energy: 1.1645343099185044
Energy: 0.9481853684290885
Energy: 1.4493695146934562
Energy: 0.9487069341764609
Energy: 1.1584950099938878
Energy: 0.9487069341770157
Energy: 1.1639022510946024
Energy: 0.9492693891196751
Energy: 1.1592654849619155
Energy: 0.9492693891207848
Energy: 1.1580492277205265
Energy: 0.9487210582757041
Energy: 1.1643429220859303
Energy: 0.9487210582723752
Energy: 0.9547527185093033
Energy: 0.9481092139028594
Energy: 1.160939634320773
Energy: 0.9481092139045239
Energy: 1.1589205728713972
Energy: 0.948374728821912
Energy: 1.1609145058618087
Energy: 0.9483747288213571
Energy: 0.9496608696647121
Energy: 0.9485152210958994
Energy: 1.1611112259425378
Energy: 0.9485152210953445
Energy: 0.9485827883707597
Energy: 0.9479061563728155
Energy: 1.1617069390470816
Energy: 0.9479061563744801
Energy: 0.9487336680820836
Energy: 0.9479569844219875
Energy: 0.9627177820871452
Energy: 0.9479569844230719
Energy: 1.1578753230174517
Energy: 0.9489988781869654
Energy: 1.3582198314681766
Energy: 0.9489988781858556
Energy: 1.1655608691042345
Energy: 1.0034584621490459
Energy: 1.1579375191717836
Energy: 1.0034584621484912
Energy: 1.159354010602741
Energy: 1.0053383428846194
Energy: 1.3594173050185983
Energy: 1.0053383428862839
Energy: 1.1609488322157422
Energy: 0.9505287389380234
Energy: 1.1575591721641882
Energy: 0.9505287389402427
Energy: 1.1608379230599701
Energy: 0.947965055745454
Energy: 0.9483968502916346
Energy: 0.9479650557432345
Energy: 1.366369456522796
Energy: 0.9482440457813317
Energy: 0.9490451812925339
Energy: 0.9482440457791124
Energy: 1.357787570754821
Energy: 0.9483158001228668
Energy: 0.9494673795259293
Energy: 0.9483158001239764

minimum gb energy = 0.944356448428125 eV
minimum distance =  2.58868143445485 Angstroms
sigma value = 37


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

Energy: 1.7108714932262934
Energy: 0.860352644529501
Energy: 0.8605511011588821
Energy: 0.860352644529501
Energy: 0.8550669931997457
Energy: 0.8576311948326358
Energy: 1.2089558844866248
Energy: 0.8576311948326358
Energy: 1.5562627584492417
Energy: 0.857958382402106
Energy: 1.2156829631262633
Energy: 0.857958382402106
Energy: 1.5538567803345844
Energy: 0.9607691259399297
Energy: 0.8715346032713748
Energy: 0.960769125938975
Energy: 0.8697444536783896
Energy: 0.9612849220142579
Energy: 1.2139407217968197
Energy: 0.9612849220142579
Energy: 0.8562165876226254
Energy: 0.8588255296076407
Energy: 0.8568228486726364
Energy: 0.8588255296076407
Energy: 0.8559466093565311
Energy: 0.8573134965833361
Energy: 1.210607295707331
Energy: 0.8573134965833361
Energy: 0.8678815367135038
Energy: 0.8600435707524031
Energy: 1.2065874636602394
Energy: 0.8600435707533577
Energy: 0.8585123234577151
Energy: 0.8574348917615806
Energy: 1.2061240076863864
Energy: 0.8574348917625352
Energy: 0.8572582551254143
Energy: 0.8582615203251983
Energy: 1.0559553933128154
Energy: 0.8582615203251983
Energy: 0.8605511022542682
Energy: 0.860352644529501
Energy: 1.7108714932272482
Energy: 0.860352644529501
Energy: 1.2089558844866248
Energy: 0.8576311948326358
Energy: 1.0560411288644544
Energy: 0.8576311948326358
Energy: 1.215682963125309
Energy: 0.857958382402106
Energy: 1.5562627584501962
Energy: 0.8579583824011515
Energy: 0.8715346032723077
Energy: 0.960769125938975
Energy: 1.5538567803326753
Energy: 0.960769125938975
Energy: 1.2139407217977745
Energy: 0.9612849220142579
Energy: 0.8697444536812533
Energy: 0.9612849220142579
Energy: 1.0541440482266575
Energy: 0.858825529606686
Energy: 0.8562165876216707
Energy: 0.8588255296076407
Energy: 1.2106072957082856
Energy: 0.8573134965833361
Energy: 0.8559466093574857
Energy: 0.8573134965833361
Energy: 1.206587463654512
Energy: 0.8600435707524031
Energy: 0.8678815367135038
Energy: 0.8600435707533577
Energy: 1.206124007687341
Energy: 0.8574348917634899
Energy: 0.8585123234577151
Energy: 0.8574348917625352
Energy: 0.855067007827977
Energy: 0.8582615203261528
Energy: 0.8572582551244597
Energy: 0.8582615203251983

minimum gb energy = 0.8550669931997457 eV
minimum distance =  2.59405375270587 Angstroms
sigma value = 25


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

Energy: 1.7310417740226738
Energy: 0.7525276210414946
Energy: 0.7539704315928063
Energy: 0.7525276210414946
Energy: 1.451887100609648
Energy: 0.754743224981331
Energy: 1.0444188798716245
Energy: 0.754743224981331
Energy: 1.7038002547761257
Energy: 0.7531295243095025
Energy: 1.0476112865975213
Energy: 0.753129524308757
Energy: 1.4508862239818507
Energy: 0.7559769204961754
Energy: 1.2356001753504133
Energy: 0.7559769204969208
Energy: 1.3274964942032679
Energy: 0.8395835677560379
Energy: 1.5777228503949723
Energy: 0.8395835677567833
Energy: 1.45333908723796
Energy: 0.8377508841652732
Energy: 1.5775899931253587
Energy: 0.8377508841660186
Energy: 1.4508847302991843
Energy: 0.7469937044244583
Energy: 1.3281730776919556
Energy: 0.7469937044296762
Energy: 1.0313599691116264
Energy: 0.7442193013793054
Energy: 1.695105789300697
Energy: 0.7442193013778143
Energy: 1.0342175718870872
Energy: 0.744670053665406
Energy: 1.3251031613455653
Energy: 0.7446700536661514
Energy: 1.030621248206767
Energy: 0.745393942017601
Energy: 1.8163804571829059
Energy: 0.7453939420168556
Energy: 0.8967366468525302
Energy: 0.7440007008780801
Energy: 1.9019198514418663
Energy: 0.7440007008788255
Energy: 0.8956043038912589
Energy: 0.7455072423262202
Energy: 1.81613390400062
Energy: 0.7455072423262202
Energy: 0.8968707335957753
Energy: 0.7451245953344776
Energy: 1.3253195030332505
Energy: 0.7451245953344776
Energy: 0.9060129580770266
Energy: 0.7448837919977236
Energy: 1.812677060140921
Energy: 0.7448837919977236
Energy: 1.1879163325370212
Energy: 0.7426102055335677
Energy: 1.3294048168704482
Energy: 0.742610205534313
Energy: 1.1858668727236317
Energy: 0.7437124130105258
Energy: 1.7022280112425832
Energy: 0.7437124130112711
Energy: 1.3276185744393496
Energy: 0.7459398873608278
Energy: 1.7021697704702874
Energy: 0.7459398873571007
Energy: 1.1828050421003844
Energy: 0.8274734965961245
Energy: 1.324870813763262
Energy: 0.827473496595379
Energy: 1.5671553696828167
Energy: 0.8271139922389816
Energy: 1.456762854814088
Energy: 0.8271139922374908
Energy: 1.3284480045194405
Energy: 0.826918164548644
Energy: 1.4539103278196461
Energy: 0.8269181645501348
Energy: 1.6956617036902712
Energy: 0.8267709677005048
Energy: 1.0408653708271605
Energy: 0.8267709676945416
Energy: 1.5822167802646205
Energy: 0.7520629410137358
Energy: 0.901580807352302
Energy: 0.7520629410129905
Energy: 1.456588832974803
Energy: 0.7530938944821353
Energy: 1.0408253628171793
Energy: 0.75309389448139
Energy: 1.6953162968105
Energy: 0.7531501919404997
Energy: 0.7535093959640372
Energy: 0.7531501919397542
Energy: 1.329246705288543
Energy: 0.7529045873499186
Energy: 0.7553732726933201
Energy: 0.7529045873484279
Energy: 1.7049297684847204
Energy: 0.7577089513916044
Energy: 0.7534574866767547
Energy: 0.7577089513893682

minimum gb energy = 0.7426102055335677 eV
minimum distance =  2.58485614442189 Angstroms
sigma value = 41


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

Energy: 2.0087353917148127
Energy: 0.6646207661493726
Energy: 0.9914868755660677
Energy: 0.6646207661487614
Energy: 1.5785721229298215
Energy: 0.6614571524589606
Energy: 0.9074202407003235
Energy: 0.6614571524577384
Energy: 1.9836872955056941
Energy: 0.6626264102461892
Energy: 0.9125388808917444
Energy: 0.6626264102461892
Energy: 1.5766875320814326
Energy: 0.6631622552080837
Energy: 1.1625268633131318
Energy: 0.6631622552074726
Energy: 1.5844358249833477
Energy: 0.6609998088789819
Energy: 1.3704706656965573
Energy: 0.6609998088795653
Energy: 1.5812012869249834
Energy: 0.6632378740047478
Energy: 1.3675716961479707
Energy: 0.6632378740713311
Energy: 1.5853957475172704
Energy: 0.7348897884025787
Energy: 1.5837377290725796
Energy: 0.7348897884031897
Energy: 1.374562646262229
Energy: 0.7319868266619993
Energy: 1.3722028280996776
Energy: 0.7319868266613881
Energy: 1.1533402594400501
Energy: 0.6628136432362814
Energy: 1.7834427426988178
Energy: 0.6628136432350592
Energy: 1.1519234564680698
Energy: 0.6612749963356067
Energy: 1.585223561036829
Energy: 0.6612749963374402
Energy: 0.9088502593864639
Energy: 0.6656470379301024
Energy: 1.5824182873914758
Energy: 0.6656470379294913
Energy: 0.9094485390716821
Energy: 0.6615284103025598
Energy: 1.585027489403815
Energy: 0.661528410303782
Energy: 0.9073805901596532
Energy: 0.66278092077223
Energy: 1.7804501092519553
Energy: 0.6627809207716189
Energy: 0.6659449180724172
Energy: 0.6637527682575316
Energy: 1.7778610852770724
Energy: 0.6637527682587537
Energy: 0.6627190549965777
Energy: 0.6626967917691863
Energy: 1.5843007977607289
Energy: 0.6626967917697973
Energy: 0.6632895806752083
Energy: 0.6618638708210622
Energy: 1.9862880608884463
Energy: 0.6618638708210622
Energy: 0.910462482629395
Energy: 0.6621037898306098
Energy: 1.9763056070884013
Energy: 0.662103789831832
Energy: 0.9107997714201412
Energy: 0.6618404886978866
Energy: 1.585982062473551
Energy: 0.6618404886978866
Energy: 0.9099966889196245
Energy: 0.6635470782645341
Energy: 1.5828859830542827
Energy: 0.6635470782639229
Energy: 1.3674470319902763
Energy: 0.6621567145848912
Energy: 1.5808188168023394
Energy: 0.6621567145855024
Energy: 1.3664210626858726
Energy: 0.6622601385581038
Energy: 1.5855848577406537
Energy: 0.6622601385581038
Energy: 1.3683334439343289
Energy: 0.7310434181133882
Energy: 1.5877752854582674
Energy: 0.7310434181139992
Energy: 1.7818876348631232
Energy: 0.7316900096372918
Energy: 1.579291212993171
Energy: 0.7316900096366807
Energy: 1.3722466386963705
Energy: 0.7318524037472832
Energy: 1.3671566577971845
Energy: 0.731852403746672
Energy: 1.58482008826817
Energy: 0.6619892772299786
Energy: 1.1586461637957448
Energy: 0.6619892772293674
Energy: 1.7842651033387475
Energy: 0.6616301876297627
Energy: 1.3658546594203416
Energy: 0.6616301876279294
Energy: 1.778264698747908
Energy: 0.6641135760470245
Energy: 0.9092053828848197
Energy: 0.6641135760476355
Energy: 1.583742032299526
Energy: 0.6620722007465459
Energy: 0.9108926197081798
Energy: 0.6620722007465459
Energy: 1.7778209215607967
Energy: 0.6641710613276651
Energy: 0.9138912575933157
Energy: 0.6641710613288873
Energy: 1.783242565601043
Energy: 0.6625395296107777
Energy: 0.6640026123677999
Energy: 0.6625395296107777
Energy: 1.5835158713870392
Energy: 0.6624951774014609
Energy: 0.6619637973500786
Energy: 0.6624951774008498
Energy: 1.9762106215028288
Energy: 0.6632739825857247
Energy: 0.6648504165796215
Energy: 0.6632739825857247

minimum gb energy = 0.6609998088789819 eV
minimum distance =  2.60160039875739 Angstroms
sigma value = 15


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

Energy: 1.767385236682568
Energy: 0.6024763182971258
Energy: 0.933432326177725
Energy: 0.6024763182966081
Energy: 1.7517370374329297
Energy: 0.6003920144317507
Energy: 0.8102147299886622
Energy: 0.6003920144307153
Energy: 2.0945295607363024
Energy: 0.6015682573523118
Energy: 0.8106281668256432
Energy: 0.6015682573543826
Energy: 1.7627989580976453
Energy: 0.6016961698662467
Energy: 1.214574176197383
Energy: 0.6016961698677998
Energy: 1.756350360036982
Energy: 0.5988550416905306
Energy: 1.2107422626302211
Energy: 0.5988550416822475
Energy: 1.7564021820501752
Energy: 0.5998967898161346
Energy: 1.2069950433188843
Energy: 0.5998967898156169
Energy: 1.3954935111712627
Energy: 0.6010214479509163
Energy: 1.5739830517888012
Energy: 0.6010214479581641
Energy: 1.5769703726383741
Energy: 0.6641581815984361
Energy: 1.2128342054292989
Energy: 0.6641581816015422
Energy: 1.3946689565685186
Energy: 0.6593129691592279
Energy: 1.5721244299121904
Energy: 0.6593129691581926
Energy: 1.3928431342508023
Energy: 0.6590073896922822
Energy: 1.7583394745877468
Energy: 0.6590073896912467
Energy: 1.2133435714348701
Energy: 0.6026925116630085
Energy: 1.571490319133998
Energy: 0.6026925116624908
Energy: 1.0235538582997445
Energy: 0.5987029085135962
Energy: 1.9238562714883212
Energy: 0.5987029085322098
Energy: 1.2084967954474444
Energy: 0.6006996274161622
Energy: 1.9251409828915447
Energy: 0.6006996274171976
Energy: 0.8179805308258674
Energy: 0.6015459901572572
Energy: 1.5798755257921595
Energy: 0.6015459901541746
Energy: 0.812614230806052
Energy: 0.59934636038393
Energy: 1.756161490857704
Energy: 0.5993463603844477
Energy: 0.8139249315553243
Energy: 0.6011251416041644
Energy: 1.9260479229637806
Energy: 0.6011251416088237
Energy: 0.6025170070403757
Energy: 0.6002436734079049
Energy: 1.9301881559227638
Energy: 0.6002436734068693
Energy: 0.599541151677078
Energy: 0.599455347609374
Energy: 1.756090370128544
Energy: 0.599455347609374
Energy: 0.6015031022176519
Energy: 0.6000056056452978
Energy: 1.7572088389791
Energy: 0.60000560564478
Energy: 0.817675446859963
Energy: 0.6007621372467357
Energy: 2.099472953016906
Energy: 0.6007621372482889
Energy: 0.8139495392149256
Energy: 0.599426106687025
Energy: 1.7559327250877306
Energy: 0.5994261066890959
Energy: 0.8167947033915149
Energy: 0.6008910495389764
Energy: 1.7607747342133233
Energy: 0.6008910495384586
Energy: 1.2072224295475793
Energy: 0.6015122642366646
Energy: 1.7533053056451184
Energy: 0.6015122642392294
Energy: 1.2110682249784552
Energy: 0.5989705233720776
Energy: 1.7586948704070935
Energy: 0.598970523373113
Energy: 1.2133275099884544
Energy: 0.6018965121964824
Energy: 1.3995130237610651
Energy: 0.6018965121985533
Energy: 1.5754956207977482
Energy: 0.6587393257432684
Energy: 1.7583799461933765
Energy: 0.6587393257391269
Energy: 1.2091554205638195
Energy: 0.6595978627755239
Energy: 1.5737153334877267
Energy: 0.6595978627703469
Energy: 1.5791584175433402
Energy: 0.6641531408231113
Energy: 1.3999493338107494
Energy: 0.6641531408225936
Energy: 1.5760352400318953
Energy: 0.6008003849186448
Energy: 1.573191247279046
Energy: 0.6008003849031374
Energy: 1.5749255884011761
Energy: 0.6002168675761157
Energy: 1.2085184557536852
Energy: 0.6002168675781866
Energy: 1.7554085437826858
Energy: 0.5988807354646507
Energy: 1.0234538718352202
Energy: 0.598880735464133
Energy: 1.5791051728245507
Energy: 0.6010108527086953
Energy: 1.2135771956084431
Energy: 0.6010108527061067
Energy: 1.9262410782476296
Energy: 0.6020603626118054
Energy: 0.8106226021812373
Energy: 0.6020603626118054
Energy: 1.9233730058724205
Energy: 0.6015211987742963
Energy: 0.8110024624994847
Energy: 0.6015211987742963
Energy: 1.9194838421192304
Energy: 0.6013358670071443
Energy: 0.6051010902284298
Energy: 0.601335867007662
Energy: 1.9216774154420504
Energy: 0.6008666665250035
Energy: 0.6022796117507742
Energy: 0.6008666665260389
Energy: 2.0944632653397375
Energy: 0.6008828329524174
Energy: 0.6020003655564524
Energy: 0.600882832951382

minimum gb energy = 0.5987029085135962 eV
minimum distance =  2.60307351237039 Angstroms
sigma value = 85


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

Energy: 1.8993830212398366
Energy: 0.5381947771047819
Energy: 0.5389003222024783
Energy: 0.5381947771047819
Energy: 1.8695495636975108
Energy: 0.5387882637984047
Energy: 0.7256111889077641
Energy: 0.5387882637975067
Energy: 1.8699095758642006
Energy: 0.5416602247018621
Energy: 0.7258382422187991
Energy: 0.5416602247014132
Energy: 1.5537968207090962
Energy: 0.5433271005846935
Energy: 1.0762183546184767
Energy: 0.5433271005860405
Energy: 1.873588345716409
Energy: 0.5380279321171112
Energy: 1.078024319894912
Energy: 0.5380279321175602
Energy: 1.5583240316376417
Energy: 0.5395207638689491
Energy: 1.0763283634122909
Energy: 0.539520763868051
Energy: 1.555868328215607
Energy: 0.5410148235934531
Energy: 1.4025428551225676
Energy: 0.541014823589412
Energy: 1.7151908279466743
Energy: 0.5384724853201095
Energy: 1.0728086420756007
Energy: 0.5384724853237015
Energy: 1.5581348654354612
Energy: 0.5387070734457212
Energy: 1.3990692530231383
Energy: 0.5387070713431
Energy: 1.558118961075416
Energy: 0.6419992751637426
Energy: 1.713991850061112
Energy: 0.6419992751691102
Energy: 1.3995135553597395
Energy: 0.6417687760435159
Energy: 1.3971706013300096
Energy: 0.6417687760435159
Energy: 1.237226950835848
Energy: 0.538762859157597
Energy: 1.7141907125453753
Energy: 0.5387628591611889
Energy: 1.3993646605914156
Energy: 0.5384501723411786
Energy: 1.7148201145613529
Energy: 0.5384501723425256
Energy: 1.0761390782376183
Energy: 0.5403078199400774
Energy: 1.3947429309271946
Energy: 0.5403078199387303
Energy: 0.9128130798851369
Energy: 0.5382294705666729
Energy: 1.8738281838713107
Energy: 0.5382294705716119
Energy: 1.0786296027247955
Energy: 0.5398634720602083
Energy: 1.7116035770361193
Energy: 0.5398634720597594
Energy: 0.7256617370234572
Energy: 0.5404284878937119
Energy: 1.7115636026059324
Energy: 0.5404284878946098
Energy: 0.7281639746156862
Energy: 0.5389666173990745
Energy: 1.8731024379491061
Energy: 0.5389666173995237
Energy: 0.727889573957616
Energy: 0.5395920943801381
Energy: 1.869076317157056
Energy: 0.5395920943805872
Energy: 0.538521456317241
Energy: 0.5387683988820992
Energy: 1.8699111465959974
Energy: 0.5387683988825481
Energy: 0.5393017103414358
Energy: 0.5386594735551147
Energy: 1.8728424570233804
Energy: 0.5386594735555637
Energy: 0.5393850074917805
Energy: 0.5397366951174913
Energy: 1.86574155214969
Energy: 0.5397366951188384
Energy: 0.7288933482509377
Energy: 0.5389139257232186
Energy: 1.8686141254619333
Energy: 0.5389139257236676
Energy: 0.7274816625121797
Energy: 0.5384452522635084
Energy: 1.8753383586636698
Energy: 0.5384452522648554
Energy: 0.727786662915349
Energy: 0.5410456936658078
Energy: 1.5535912877987115
Energy: 0.5410456936644609
Energy: 1.0757758494091785
Energy: 0.5392215057429448
Energy: 1.8693755313021658
Energy: 0.5392215057433939
Energy: 1.0770606528329256
Energy: 0.5382614940198484
Energy: 1.8702272506641324
Energy: 0.5382614940158074
Energy: 1.0761299854462438
Energy: 0.5416175123222171
Energy: 1.5561828265289879
Energy: 0.5416175123204211
Energy: 1.399360304815051
Energy: 0.5382402375986292
Energy: 1.8740652169731493
Energy: 0.5382402375977311
Energy: 1.4006171964459833
Energy: 0.5386563819610162
Energy: 1.5590778674895176
Energy: 0.5386563819578734
Energy: 1.5648875353224367
Energy: 0.6417050687936311
Energy: 1.2341663005344605
Energy: 0.6417050687936311
Energy: 1.3973191973665484
Energy: 0.641559043024716
Energy: 1.5650243773669175
Energy: 0.64155904302292
Energy: 1.716601265631677
Energy: 0.5385391540781834
Energy: 1.2379890448893758
Energy: 0.5385391540822243
Energy: 1.8746078953412388
Energy: 0.5380734637861873
Energy: 1.2394878988499463
Energy: 0.5380734637911263
Energy: 1.394561602234036
Energy: 0.5418744530445475
Energy: 1.0760755170114111
Energy: 0.5418744530440985
Energy: 1.8737995668455898
Energy: 0.5381753546163488
Energy: 1.077461361803467
Energy: 0.5381753546158998
Energy: 1.8702553412902416
Energy: 0.5394781141381452
Energy: 1.0759937475205588
Energy: 0.5394781141381452
Energy: 1.7118188650013626
Energy: 0.5395983464317091
Energy: 0.7277657160702595
Energy: 0.5395983464321581
Energy: 1.8734490859539976
Energy: 0.5381712983181074
Energy: 0.7273258484381778
Energy: 0.5381712983185563
Energy: 1.867962831663554
Energy: 0.5402689772940259
Energy: 0.7297821380198269
Energy: 0.5402689772935767
Energy: 1.709316890475464
Energy: 0.5396478299310372
Energy: 0.5399855799509651
Energy: 0.5396478299305882
Energy: 1.8737565494141935
Energy: 0.538480640895872
Energy: 0.538876932302918
Energy: 0.538480640895872
Energy: 1.8656725472048503
Energy: 0.5390959180024486
Energy: 0.5397941733482053
Energy: 0.5390959180024486

minimum gb energy = 0.5380279321171112 eV
minimum distance =  2.59747311344479 Angstroms
sigma value = 113


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

Energy: 0.009586298933522017
Energy: 0.010351737909870158
Energy: 1.6512176481526046
Energy: 0.010351737909544167
Energy: 0.010244609572081982
Energy: 0.12179059311839947
Energy: 1.2775719368479435
Energy: 0.12179059311874464
Energy: 0.010106582697538202
Energy: 0.12250105541306262
Energy: 1.2761999225616276
Energy: 0.12250105541338863
Energy: 0.011078698442502343
Energy: 0.12387285082941274
Energy: 1.2780234885574029
Energy: 0.12387285082941274
Energy: 1.2772148314908682
Energy: 0.12297079790456299
Energy: 1.2774976121950727
Energy: 0.12297079790490814
Energy: 0.010038790870167742
Energy: 0.12074973358291045
Energy: 1.2755983281392567
Energy: 0.12074973358223928

minimum gb energy = 0.009586298933522017 eV
minimum distance =  2.86177963766013 Angstroms
sigma value = 1