Model name: model_name=MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000003278256
cohesive_energy=4.450350014636681
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0556727302536998e-19, 2.9073097200564e-19, 3.5552299508459994e-19, 4.0808880826950593e-19, 4.521342461148e-19, 4.897517513044859e-19, 5.22267926091516e-19, 5.505928068040019e-19, 5.753864902151519e-19, 5.971424467282379e-19, 6.162484030886879e-19, 6.33008772856962e-19, 6.47676699941232e-19, 6.6045726295065e-19, 6.71523496961688e-19, 6.81026006577942e-19, 6.89086557223596e-19, 6.95820505616298e-19, 7.01319175824186e-19, 7.05669085385496e-19, 7.08945536602026e-19, 7.112158208924039e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.110235596963239e-19, 7.08336709481106e-19, 7.0424154600460195e-19, 6.98489731888542e-19, 6.907848644556359e-19, 6.807744648464039e-19, 6.680323540762019e-19, 6.52044233445516e-19, 6.321820497138179e-19, 6.0767355374352e-19, 5.775734613205619e-19, 5.406993660890519e-19, 4.955708568391739e-19, 4.4031338690914795e-19, 3.72526895701242e-19, 2.89109569252032e-19, 1.8600149197096198e-19, 5.78018866424814e-20, -1.0278155368306078e-19, -3.0603976974350996e-19, -5.6771526849156e-19, -9.1344896434242e-19, -1.3876019239382817e-18, -2.07231934548096e-18, -3.13174262294712e-18, -4.92385729690782e-18, -8.311179136510619e-18, -1.5624314382403618e-17, -3.39751168299504e-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: 0.022172651438102462
Energy: 0.8401467981680001
Energy: 3.1781858298418997
Energy: 2.067503543290824
Energy: 2.0460185444761154
Energy: 1.7880286950363313
Energy: 0.8222574430344083
Energy: 0.65751937312664
Energy: 1.7085739102899433
Energy: 1.2324360208683633
Energy: 1.9404558302582062
Energy: 1.3707783468731958
Energy: 0.3525037429535391
Energy: 1.3948210271314176
Energy: 0.6556840191807582
Energy: 2.166373847393343
Energy: 2.4395796044688796
Energy: 1.5203157494060076
Energy: 1.3728811643383736
Energy: 1.3086868671767122
Energy: 1.2335569072665438
Energy: 0.02552620756562544
Energy: 1.9743292014324363
Energy: 3.169294567822097
Energy: 1.7131591366132177
Energy: 2.046172956225683
Energy: 1.7851680918896906
Energy: 0.023239535305354983
Energy: 2.3384402227779533
Energy: 2.1114437586360313
Energy: 0.9238089330359937
Energy: 1.8788357186265723
Energy: 1.5437799053833072
Energy: 0.02276370547749396
Energy: 1.2180629612928404
Energy: 0.6574594750571193
Energy: 1.9303832462689783
Energy: 2.3792247852231623
Energy: 1.503093264706535
Energy: 1.573918493354512
Energy: 1.3627977497610755
Energy: 1.017485271727003

minimum gb energy = 0.022172651438102462 eV
minimum distance =  2.26350044006054 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 2.2600413629530283
Energy: 2.6295470366077276
Energy: 2.4985937581517876
Energy: 2.7847450830114084
Energy: 2.623330121586216
Energy: 2.491509785311362
Energy: 2.7040758402659093
Energy: 2.294779012584439
Energy: 2.593782966532254
Energy: 2.5946706948534612
Energy: 2.749886724178882
Energy: 2.675677191665826
Energy: 2.4238303986380623
Energy: 2.44222317458513
Energy: 1.9369490565394163
Energy: 2.478491331908941
Energy: 2.3972094188582473
Energy: 2.4946258690536744
Energy: 2.5565992331326597
Energy: 2.4001150163555884
Energy: 2.4824164764722814
Energy: 2.3608650033109515
Energy: 2.5224285542540614
Energy: 2.4468316285135634
Energy: 2.4523454316168998
Energy: 2.4655133596390746
Energy: 2.548491842922423
Energy: 2.670561534062081
Energy: 2.183096460320932
Energy: 2.8228401450916984
Energy: 2.180141225945012
Energy: 2.414386157252503
Energy: 2.5230614943157956
Energy: 2.4440145833002287
Energy: 3.0411697903501116
Energy: 2.6427018598160776
Energy: 2.555458302807858
Energy: 2.3201298076619907
Energy: 2.6079796438571554
Energy: 2.65782906671347
Energy: 2.503238894999588
Energy: 2.7443913213851796
Energy: 2.457650313133267
Energy: 2.6127836695076
Energy: 2.3543545764782348
Energy: 2.3934356107591506
Energy: 2.4785365195365836
Energy: 2.4389701294403996
Energy: 2.6019068753174133
Energy: 2.18975477769906
Energy: 2.4639076409340976
Energy: 2.4135595227874864
Energy: 2.3949199480594445
Energy: 2.5157980467393193
Energy: 2.5547079078457076
Energy: 2.562312099595216
Energy: 2.1321691875600064
Energy: 2.509022536887427
Energy: 2.550690667206678
Energy: 2.677617536745747
Energy: 2.526241071584767
Energy: 2.448249300938765
Energy: 2.51662422284082
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Energy: 2.465860855066426
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Energy: 2.6699818244281626
Energy: 2.2917733544189884
Energy: 2.554216359645031
Energy: 2.106364192519073
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Energy: 2.5778437872968145
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Energy: 2.6329677697870535
Energy: 2.474944547007279
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Energy: 2.627343195141023
Energy: 2.4789315488260537
Energy: 2.348327199111749
Energy: 2.3306370040494286
Energy: 2.5633882948771047
Energy: 2.4674186137219207
Energy: 2.561094238813213
Energy: 2.4366274279624993
Energy: 2.4404243842103592
Energy: 2.517212804105671
Energy: 2.1964836340873317
Energy: 2.7809029193421138
Energy: 2.3929610338279765
Energy: 2.5197998365723575
Energy: 2.4281258695200294
Energy: 2.514862625158064
Energy: 2.544512866067969
Energy: 2.323349471709342
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Energy: 2.2632114775277064
Energy: 2.5082416833845795
Energy: 2.5508337222314297
Energy: 2.436305218059937
Energy: 2.644031307673787
Energy: 2.33156367073001
Energy: 2.5841184875693624
Energy: 2.3509667596895265
Energy: 2.4198400183795385
Energy: 2.6513507207492424
Energy: 2.4429779571179937
Energy: 2.5524842362413103
Energy: 2.2040316176022343
Energy: 2.7622215055603156
Energy: 2.433169122213483
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Energy: 2.3975536777658495
Energy: 2.7021195474731523
Energy: 2.6919790267199084
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Energy: 2.27817811331787
Energy: 2.4093314897436127
Energy: 2.4513863181635602
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Energy: 2.500028477081259
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Energy: 2.331149370457647
Energy: 2.4159709889302694
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Energy: 2.67293760266026
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Energy: 2.6892620327320507
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Energy: 2.2551074983114665
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Energy: 2.637325309924407
Energy: 2.549360088916209
Energy: 2.738538937638651
Energy: 2.6735820157267374
Energy: 2.461621146098994
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Energy: 2.166134569017884
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Energy: 2.6193582833083298
Energy: 2.4197133182212016
Energy: 2.537817323498832
Energy: 2.5179084777199847
Energy: 2.649661909355404
Energy: 2.764256759641791
Energy: 2.5463439153231424
Energy: 2.398113285856935
Energy: 2.161666239908531
Energy: 2.450327188236602
Energy: 2.3327770195424042
Energy: 2.5005570039068994
Energy: 2.4721528635079535
Energy: 2.3634558751884587
Energy: 2.483090751484882
Energy: 2.244287765728882
Energy: 2.583529135815624
Energy: 2.3039046368626472
Energy: 2.516939891816611
Energy: 2.5586005449221902
Energy: 2.499230264026989
Energy: 2.5580507467850664
Energy: 2.492585626667435
Energy: 2.8163924750943945
Energy: 2.3221019338263877
Energy: 2.4135231188480484
Energy: 2.6414531279981643
Energy: 2.4414456528202275
Energy: 2.9124828995843743
Energy: 2.565402897897027
Energy: 2.668700555172006
Energy: 2.256610185907867
Energy: 2.5694986058272744
Energy: 2.549839596743084
Energy: 2.5543686122793066
Energy: 2.7682797546422413
Energy: 2.4597865978882676
Energy: 2.6730803794965285
Energy: 2.3207674968501784
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Energy: 2.614586075038223
Energy: 2.474785999459913
Energy: 2.6663712882571113
Energy: 2.2460501920781613
Energy: 2.4044538709531023
Energy: 2.402185553781425
Energy: 2.499719313432801
Energy: 2.5412772574017155
Energy: 2.4125366470293774
Energy: 2.566275476122202
Energy: 2.1598407572101723
Energy: 2.5353127166250964
Energy: 2.4514660357825253
Energy: 2.7161230253754667
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Energy: 2.1714849169909596
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Energy: 2.481261791219504
Energy: 2.717554163928864
Energy: 2.6369256821818476
Energy: 2.414393499584556
Energy: 2.508720052620278
Energy: 2.0339255896904316
Energy: 2.6305633528310652
Energy: 2.5340172880607628
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Energy: 2.4794686943245328
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Energy: 2.551097058929348
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Energy: 2.565842194611736
Energy: 2.57122212471498
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Energy: 2.7340250410997635
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Energy: 2.5427362881301234
Energy: 2.5436655816400875
Energy: 2.5444947062940058
Energy: 2.6030351515164045
Energy: 2.311421879159126
Energy: 2.5909968471399134
Energy: 2.534372642583448
Energy: 2.6041636979935174
Energy: 2.510277059540879
Energy: 2.4608100921403198
Energy: 2.612960907052081
Energy: 2.226229998685924
Energy: 2.771034596070038
Energy: 2.265872035019837
Energy: 2.51913851523173
Energy: 2.689612806126838
Energy: 2.347319888180329
Energy: 2.5263264821031304
Energy: 2.2353402445419888
Energy: 2.685416346631159
Energy: 2.4849892228870587
Energy: 2.496632550366464
Energy: 2.559531411518626
Energy: 2.612297067055343
Energy: 2.7410806873745255
Energy: 2.4265089679224614
Energy: 2.5221917187029854
Energy: 2.1585098712417534
Energy: 2.364269568418118
Energy: 2.457284543610114
Energy: 2.4167224249498362
Energy: 2.687925250441797
Energy: 2.4462110288242087
Energy: 2.5192041824458817
Energy: 2.3614499866267145
Energy: 2.4367052735350963
Energy: 2.534884181075649
Energy: 2.5977984569055796
Energy: 2.7585711607237013
Energy: 2.3404751676442137
Energy: 2.7395547276728505
Energy: 2.28496975446854
Energy: 2.446472861016064
Energy: 2.383387396916989
Energy: 2.496087324525156
Energy: 2.7364716337858583
Energy: 2.392385362227369
Energy: 2.4882930457087147
Energy: 2.4320219414668234
Energy: 2.4743898309440207
Energy: 2.517556919172052
Energy: 2.5516723843593554
Energy: 2.7449365513534127
Energy: 2.1242978645772475
Energy: 2.3771657770172436
Energy: 2.3714262540223436
Energy: 2.8061825640710953
Energy: 2.6997437834281386
Energy: 2.319805231253584
Energy: 2.4489067582181727
Energy: 2.1838798347992694
Energy: 2.6454489807043777
Energy: 2.5404273154061365
Energy: 2.7541223265671415
Energy: 2.4837652693478405
Energy: 2.4076192429133845
Energy: 2.5495300030757875
Energy: 2.069828683816665
Energy: 2.767048737038287
Energy: 2.5436906815416322
Energy: 2.6803362721856447
Energy: 2.61913492977339
Energy: 2.4392562924572925
Energy: 2.505486332531732

minimum gb energy = 1.9369490565394163 eV
minimum distance =  2.16444766086404 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 2.2792474672714556
Energy: 2.560882321976242
Energy: 2.333522812081735
Energy: 2.847919310708669
Energy: 2.856606597797497
Energy: 2.3121665923703048
Energy: 2.641816280483592
Energy: 2.1119391324800625
Energy: 2.474627141841361
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Energy: 2.8920212776431176
Energy: 3.0287918071809106
Energy: 2.5695519701895826
Energy: 2.532019366250094
Energy: 2.369179835917262
Energy: 2.4639262449298975
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Energy: 2.5047107034240748
Energy: 2.6935236233991415
Energy: 2.634962085679728
Energy: 2.3450694201478397
Energy: 2.439060183583522
Energy: 2.489254006363256
Energy: 2.69631203343466
Energy: 2.3118399212365657
Energy: 2.9677934245908646
Energy: 2.5291869126849362
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Energy: 2.3634579094339396
Energy: 2.4445792744566632
Energy: 2.7554655607381453
Energy: 2.663212763422581
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Energy: 2.4161873448178
Energy: 2.344330565947195
Energy: 2.1366378751851016
Energy: 2.197554968306996
Energy: 2.8094209873024805
Energy: 2.209499923634096
Energy: 2.8860594401817945
Energy: 2.7293404918313144
Energy: 2.4652516774798645
Energy: 2.229184961561557
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Energy: 2.7745961973274653
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Energy: 2.3949930283564522
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Energy: 2.337170261829099
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Energy: 2.631333089595428
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Energy: 2.6351854791459965
Energy: 2.3830290045472817
Energy: 2.2192909717022817
Energy: 2.349509842054038
Energy: 2.840398870127539
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Energy: 2.4620765829371356
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Energy: 2.568541615843363
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Energy: 2.5024613456645803
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Energy: 2.263091006055042
Energy: 2.8441541954740313
Energy: 2.80261216236133
Energy: 2.54616765888651
Energy: 2.410133875486665
Energy: 1.962253014420795
Energy: 2.4647077195329725
Energy: 2.5455149490283473
Energy: 2.9436333907425993
Energy: 2.9750812074363897
Energy: 2.6607142806619977
Energy: 2.4632533240775905
Energy: 2.0742215513972018
Energy: 2.355243692067207
Energy: 2.427238074048882
Energy: 3.155067328441237
Energy: 2.940939229119575
Energy: 2.5687918657813307
Energy: 2.340735873139225
Energy: 2.4306304840008086
Energy: 2.5714245371460227
Energy: 2.1591701575260105
Energy: 2.533381861472789
Energy: 2.6362981977898823
Energy: 2.456913880249703
Energy: 2.436565792791963
Energy: 2.252822064058402
Energy: 2.8182322708212935
Energy: 2.460519021124491
Energy: 2.348615345084186
Energy: 2.4032619168122262
Energy: 2.5046703376061927
Energy: 2.6431629556949687
Energy: 2.5757831498512678
Energy: 2.89280444886892
Energy: 2.416089623679713
Energy: 2.455324299015185
Energy: 2.2172355748674626
Energy: 2.357989881861481
Energy: 2.6972278540723553
Energy: 2.372695246709967
Energy: 2.9043893115256925
Energy: 2.5609134308077923
Energy: 2.365678060718678
Energy: 2.5051510975085596
Energy: 2.542583418911742
Energy: 2.795241094187946
Energy: 2.4554405447830545
Energy: 2.8783509173378823
Energy: 2.637062949638592
Energy: 2.274119696224618
Energy: 2.3405833278795773
Energy: 2.4454132596144382
Energy: 2.7038652008705304
Energy: 2.2765511274868966
Energy: 2.7087950018130007
Energy: 2.496956343635327
Energy: 2.449424814426141
Energy: 2.2572547687896853
Energy: 2.4212307509902784
Energy: 2.6517210578179102
Energy: 2.0713414646535795
Energy: 2.449321120346382
Energy: 2.635092547462965
Energy: 2.7713524642699086
Energy: 2.7904821620245412
Energy: 2.4287686038592646
Energy: 2.5960931957065148
Energy: 2.150275835801414
Energy: 2.550644657743759
Energy: 2.2961365650422474
Energy: 2.8949780335609474
Energy: 2.748701145967927
Energy: 2.381147579616978
Energy: 2.3508209106909614
Energy: 1.9783733452990857
Energy: 2.3479964371562967
Energy: 2.470689707392076
Energy: 3.1497870236172067
Energy: 2.884014184154429
Energy: 2.5097535807951825
Energy: 2.373457016304235
Energy: 1.953933420446061
Energy: 2.3610285331776684
Energy: 2.5741272716358377
Energy: 2.903923811525262
Energy: 2.8337969551402646
Energy: 2.6419854219477896
Energy: 2.494463032157768
Energy: 2.3657962975576323
Energy: 2.4230657166144036
Energy: 2.1938270318034356
Energy: 2.547520721252683
Energy: 2.6510500483903665
Energy: 2.5889555470504915
Energy: 2.4721859101248334
Energy: 2.1828325676422
Energy: 2.5002839943038184
Energy: 2.362586023361582
Energy: 2.342110459707614
Energy: 2.4660343045409823
Energy: 2.4996400820924767
Energy: 2.637818520127809
Energy: 2.606481155458714
Energy: 2.8191699380274144
Energy: 2.2851802162379595
Energy: 2.4037455704417696
Energy: 2.309358537098938
Energy: 2.4557623234637407
Energy: 2.662730387580137
Energy: 2.492543457896742
Energy: 2.9275304884502726
Energy: 2.445026854927189
Energy: 2.328891222578821
Energy: 2.418819429311632
Energy: 2.4744035099224333
Energy: 2.7919412364007687
Energy: 2.808399171735628
Energy: 2.7427714321228645
Energy: 2.7063654086523403
Energy: 2.2953052166260983
Energy: 2.159496554057191
Energy: 2.529385595824342
Energy: 2.6934800548119524
Energy: 2.199402189098283
Energy: 2.6070164971251533
Energy: 2.677686220547201
Energy: 2.363078544083094
Energy: 2.18334252614801
Energy: 2.3477673420021685
Energy: 2.5708907542139237
Energy: 2.130464945792057
Energy: 2.4479014210531007
Energy: 2.5801882506375713
Energy: 2.6420331021926047
Energy: 2.5962480261592247
Energy: 2.3763335190691826
Energy: 2.607650924419598
Energy: 2.1120186272619224
Energy: 2.425473324293971
Energy: 2.49851484896848
Energy: 2.796945468568107
Energy: 2.81162758690312
Energy: 2.6867072573523445
Energy: 2.519981883711654
Energy: 2.2018683838815667
Energy: 2.428125125973768
Energy: 2.498494309927522
Energy: 2.831666718084457
Energy: 3.0621531295941145
Energy: 2.412318809344211
Energy: 2.541537020258751

minimum gb energy = 1.953933420446061 eV
minimum distance =  2.16525375067066 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.2485722369112446
Energy: 2.8012006728266243
Energy: 2.2908574315924053
Energy: 2.6269004080951994
Energy: 2.3519524442389477
Energy: 2.417181265838124
Energy: 2.8380714534402354
Energy: 2.4340145968645723
Energy: 2.5200341251725336
Energy: 2.4198295970849304
Energy: 2.5029016912140887
Energy: 2.529725609360684
Energy: 2.591017217153681
Energy: 2.7095941276553748
Energy: 2.360493291911563
Energy: 2.4303525615026764
Energy: 2.351475911328145
Energy: 2.432086056300347
Energy: 2.4795852214005993
Energy: 2.5250377739100873
Energy: 2.5339145347347176
Energy: 2.3933811115162014
Energy: 2.748319524555448
Energy: 2.269251371359032
Energy: 2.639391874617585
Energy: 2.7080596689414254
Energy: 2.3816982653145153
Energy: 2.6486813699072953
Energy: 2.125302480597054
Energy: 2.625404558267773
Energy: 2.527021385582366
Energy: 2.5455778431224694
Energy: 2.7031609609653993
Energy: 2.423285712668742
Energy: 2.5307711131576043
Energy: 2.4407611848497837
Energy: 2.6564273974601886
Energy: 2.422899726680483
Energy: 2.6452371984217273
Energy: 2.5920196253275947
Energy: 2.5027929137989733
Energy: 2.5060861804298242
Energy: 2.222509627309192
Energy: 2.67666118724081
Energy: 2.4317396701910288
Energy: 2.544498549189187
Energy: 2.377467128851125
Energy: 2.439493606878786
Energy: 2.481576692948024
Energy: 2.4621098418910528
Energy: 2.5275063247835616
Energy: 2.5569344058116243
Energy: 2.530616958329013
Energy: 2.4274646088941028
Energy: 2.3958996198956375
Energy: 2.557118588009646
Energy: 2.184203825076694
Energy: 2.4483532652949784
Energy: 2.488770091413574
Energy: 2.466072000812051
Energy: 2.546112292182181
Energy: 2.420373758976787
Energy: 2.562144992250661
Energy: 2.159132711630167
Energy: 2.55594016232401
Energy: 2.2755185346574414
Energy: 2.5994461276217433
Energy: 2.471282655784953
Energy: 2.4460058409578336
Energy: 2.8411914961051905
Energy: 2.3398822365853684
Energy: 2.614440757948901
Energy: 2.470523088203371
Energy: 2.436935974821176
Energy: 2.504888280192975
Energy: 2.3904817779022034
Energy: 2.6175149009006597
Energy: 2.5415622631523376
Energy: 2.5532786643116867
Energy: 2.411656322966953
Energy: 2.5971073916100362
Energy: 2.730593626660281
Energy: 2.5119903335134364
Energy: 2.5781524367671818
Energy: 2.2069093546043326
Energy: 2.649208990305
Energy: 2.2782605285381643
Energy: 2.614883264513362
Energy: 2.541474681867349
Energy: 2.5025438793676797
Energy: 2.474812461599668
Energy: 2.2688984895778472
Energy: 2.4532661218725833
Energy: 2.455670052171302
Energy: 2.550441628709518
Energy: 2.555807916524792
Energy: 2.5365008043045285
Energy: 2.553958430929266
Energy: 1.9770813330575288
Energy: 2.3775398170994144
Energy: 2.304165591607658
Energy: 2.700695316675217
Energy: 2.611925156497144
Energy: 2.3909071469188703
Energy: 2.3880057337440426
Energy: 2.2504740661611633
Energy: 2.7158630736826175
Energy: 2.3478643384026245
Energy: 2.6106545616613004
Energy: 2.5298118906879212
Energy: 2.7242006947614725
Energy: 2.5773781438474637
Energy: 2.478854585769798
Energy: 2.7081515052808554
Energy: 2.2910071985455702
Energy: 2.5405927482126223
Energy: 2.5582471359576315
Energy: 2.4802036378185184
Energy: 2.757568848521177
Energy: 2.6467918583446584
Energy: 2.5709874963795207
Energy: 2.4581297864967886
Energy: 2.430266378100318
Energy: 2.5170870878283496
Energy: 2.6385983522510172
Energy: 2.7367308324036284
Energy: 2.2755064329468646
Energy: 2.3570496295127414
Energy: 2.210086597616159
Energy: 2.589312757109991
Energy: 2.498724563351758
Energy: 2.412742816216507
Energy: 2.5911284618232653
Energy: 2.3646609790919912
Energy: 2.4739523921199074
Energy: 2.2776614613657302
Energy: 2.511606135545951
Energy: 2.48274372156375
Energy: 2.5467074094856983
Energy: 2.626412929819974
Energy: 2.0721940153497744
Energy: 2.4033918441762463
Energy: 2.39861151905161
Energy: 2.504289956644108
Energy: 2.4501963878659496
Energy: 2.229018986120828
Energy: 2.391110954607103
Energy: 2.212833864943196
Energy: 2.5991969445726006
Energy: 2.554050869918601
Energy: 2.5886459718122645
Energy: 2.5205365880664363
Energy: 2.5468535370814314
Energy: 2.5835890392932357
Energy: 2.2312776724624923
Energy: 2.5800465115185114
Energy: 2.4133930045318612
Energy: 2.5501619384867715
Energy: 2.5183711230224683
Energy: 2.4242116561749323
Energy: 2.52017810579165
Energy: 2.2939898169962314
Energy: 2.5700387655005636
Energy: 2.594704234050818
Energy: 2.5830884702303094
Energy: 2.631394930561925
Energy: 2.5803217194228867
Energy: 2.6232868108791134
Energy: 2.168298958919653
Energy: 2.508016936122972
Energy: 2.2334867869338098
Energy: 2.6154445604092285
Energy: 2.59200993866308
Energy: 2.4659172603626653
Energy: 2.533953067602255
Energy: 2.3989970494966433
Energy: 2.5132680576314725
Energy: 2.4328989154103415
Energy: 2.579853415671824
Energy: 2.452188956144726
Energy: 2.545699012187943
Energy: 2.563074406039552
Energy: 2.265273761673338
Energy: 2.556855413572477
Energy: 2.3244856520910053
Energy: 2.523920857123463
Energy: 2.4511143008352883
Energy: 2.3324364950727365
Energy: 2.6362178463553607
Energy: 2.392907071479453
Energy: 2.551069398929741
Energy: 2.426673163302588
Energy: 2.5371640658901637
Energy: 2.460246768973918
Energy: 2.588145692559691
Energy: 2.7114285355459953
Energy: 2.415231405017819
Energy: 2.6536690154690836
Energy: 2.4719326091637437
Energy: 2.551788212700441
Energy: 2.3293794758090756
Energy: 2.4699712998717556
Energy: 2.6138704382540503
Energy: 2.2357953434956386
Energy: 2.6510092857513285
Energy: 2.3988374260344254
Energy: 2.6324309318324812
Energy: 2.532721625680761
Energy: 2.395189166556821
Energy: 2.5983694806446325
Energy: 2.163160331220741
Energy: 2.4251638715234924
Energy: 2.51667736391266
Energy: 2.5872177964128578
Energy: 2.542834402010983
Energy: 2.4620406790478095
Energy: 2.423646631354858
Energy: 2.23110674673438
Energy: 2.5134516721919784
Energy: 2.3917126168816836
Energy: 2.590672672800051
Energy: 2.4615807820144826
Energy: 2.453931610332883
Energy: 2.4218116352744685
Energy: 2.1807738119272435
Energy: 2.5427164158177713
Energy: 2.430017254447674
Energy: 2.63870807677588
Energy: 2.5612205251998392
Energy: 2.309058473285851
Energy: 2.3623743880727717
Energy: 2.3627863809660052
Energy: 2.5837091917142625
Energy: 2.319686501031972
Energy: 2.5643097460681177
Energy: 2.5397057357549264
Energy: 2.487426790205739
Energy: 2.605839056265416
Energy: 2.429362787854286
Energy: 2.619106649566006
Energy: 2.3932642250674565
Energy: 2.641059818504773
Energy: 2.4918235654794425
Energy: 2.640336428369885
Energy: 2.68066017157629
Energy: 2.2983421224355296
Energy: 2.733809520436057
Energy: 2.4732160560202905
Energy: 2.6976381259695863
Energy: 2.6490486083227798
Energy: 2.2930770183845297
Energy: 2.7232652394986796

minimum gb energy = 1.9770813330575288 eV
minimum distance =  2.14995327341409 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 2.0056034613463365
Energy: 2.7271486136512815
Energy: 2.6251378092857394
Energy: 2.8499284033609333
Energy: 2.631871800607075
Energy: 2.347127980677326
Energy: 2.34368086211558
Energy: 2.4149905822466864
Energy: 3.0887072808106395
Energy: 2.443082174237155
Energy: 2.328448328569651
Energy: 2.3122663907785377
Energy: 2.3306308830232147
Energy: 2.5441839314273444
Energy: 2.845042619176657
Energy: 3.173459448471125
Energy: 2.157211584805616
Energy: 2.002697362979548
Energy: 2.077491108962169
Energy: 2.218924043954389
Energy: 2.846735688346972
Energy: 2.0441039215711645
Energy: 2.665791233710055
Energy: 2.414530699786301
Energy: 2.474697143576428
Energy: 2.5376453081442745
Energy: 2.325984925069604
Energy: 2.5848721928680702
Energy: 1.8183419288019798
Energy: 2.0505304770639836
Energy: 2.25049553998012
Energy: 2.3536812648049295
Energy: 2.7589370012235603
Energy: 2.4808889299913535
Energy: 2.7072031354492405
Energy: 2.397897637841356
Energy: 2.694893782143308
Energy: 2.5975454586980598
Energy: 2.884729782221833
Energy: 2.832605542749546
Energy: 2.7120881981313913
Energy: 2.3875546126285507
Energy: 2.2576029050528046
Energy: 2.729189320759953
Energy: 2.6839663410030083
Energy: 2.676837271838866
Energy: 2.294888354746337
Energy: 2.275283351548697
Energy: 2.6901361229896694
Energy: 1.9460583813122425
Energy: 2.6629215978264833
Energy: 2.659818889949273
Energy: 2.9560363836306394
Energy: 2.749198900619593
Energy: 2.3820330689404
Energy: 2.623234674790644
Energy: 2.0265880555443787
Energy: 2.6193314460052255
Energy: 2.6750779216327705
Energy: 2.675919692714413
Energy: 2.5833057469002316
Energy: 2.3324203115640296
Energy: 2.62399228808239
Energy: 2.670175222838894
Energy: 3.0931421267917383
Energy: 2.4495574544519902
Energy: 2.14528935278153
Energy: 2.0840631682146635
Energy: 2.1192828646170554
Energy: 2.7507714998565036
Energy: 2.541294382143068
Energy: 3.0599107871236413
Energy: 2.5248064806431016
Energy: 2.3700862390363415
Energy: 2.3062414239030486
Energy: 2.4828893003534986
Energy: 2.4953292098123456
Energy: 2.109182675627442
Energy: 2.0969961487585693
Energy: 2.3559443545548993
Energy: 2.553031496096007
Energy: 2.5621927552368144
Energy: 2.702705792518929
Energy: 2.4388101576129855
Energy: 1.8699161201825851
Energy: 2.465652225124583
Energy: 2.210247719144843
Energy: 2.8179158314384196
Energy: 2.521900818347374
Energy: 2.722381548552994
Energy: 2.6687289032058095
Energy: 2.1297887489121186
Energy: 3.1412754826049993
Energy: 2.614190402388908
Energy: 2.439344567987083
Energy: 2.4290027093998883
Energy: 2.4102434027133173
Energy: 3.1643520530246274
Energy: 2.419281670286984
Energy: 3.096327189949133
Energy: 2.5395527015691717
Energy: 2.7747853429869136
Energy: 2.2728565373571463
Energy: 2.445451784227741
Energy: 2.5416860050684797
Energy: 1.9986383604833766
Energy: 2.764315888337143
Energy: 2.499020143102873
Energy: 3.0700058311456004
Energy: 2.5410410858572043
Energy: 2.5405765759230117
Energy: 2.3613230475076876
Energy: 2.729488492740456
Energy: 2.9818590108979217
Energy: 2.389048507345908
Energy: 2.327148910393724
Energy: 2.3173096574926713
Energy: 2.2983687133528394
Energy: 2.5267683833277617
Energy: 3.0313016310515066
Energy: 2.739252779857476
Energy: 2.159498310910667
Energy: 2.082961078443717
Energy: 2.0328954232107184
Energy: 2.4682464264953627
Energy: 2.8984926413956926
Energy: 2.0606313157676936
Energy: 2.5100206133372454
Energy: 2.2547617908887854
Energy: 2.297992177953699
Energy: 2.6390340620328847
Energy: 2.4788156427284656
Energy: 2.6550920542605545
Energy: 1.821232576744751
Energy: 2.2125244019867703
Energy: 2.2106730376920862
Energy: 2.370550642503174
Energy: 2.7731172221972433
Energy: 2.6835003758232823
Energy: 2.602343461781342
Energy: 2.3796611639876066
Energy: 2.6693127304745468
Energy: 2.6642236255817773
Energy: 2.852342895047824
Energy: 2.5912255079049302
Energy: 2.46469080559161
Energy: 2.6257921510344717
Energy: 2.263509817680948
Energy: 2.922700871005751
Energy: 2.508092722376127
Energy: 2.6018730276768403
Energy: 2.2848641193067345
Energy: 2.3155080207275964
Energy: 2.8737469800345314
Energy: 1.9356547605991634
Energy: 2.517926879452586
Energy: 2.6790192724749198
Energy: 2.909439999481823
Energy: 2.6772460823162287
Energy: 2.4717341798458157
Energy: 2.674255139854299
Energy: 2.1338783792141207
Energy: 2.4263232953220926
Energy: 2.5661396591928796
Energy: 2.6527622749793505
Energy: 2.6531512817195755
Energy: 2.3002006474494037
Energy: 2.691061680606425
Energy: 2.7344679132960796
Energy: 2.9209890170155846
Energy: 2.28939344843943
Energy: 2.1183055822829537
Energy: 2.197501433668898
Energy: 2.0849685723182123
Energy: 2.6569057653014223
Energy: 2.299851442091239
Energy: 2.959543596379643
Energy: 2.7061477385546544
Energy: 2.323460113617678
Energy: 2.403885510968946
Energy: 2.388868740636915
Energy: 2.51240427074287
Energy: 2.1113511070827955
Energy: 2.0415272658639836
Energy: 2.4102493385250185
Energy: 2.4896118924867596
Energy: 2.5564901190160962
Energy: 2.6814688164488034
Energy: 2.4506331652308506
Energy: 1.8547607447895733
Energy: 2.3009040519487147
Energy: 2.2984286761537858
Energy: 2.4194180115661017
Energy: 2.600515385018835
Energy: 2.6159615663684823
Energy: 2.6146695579304864
Energy: 2.2356747553854426
Energy: 2.758698212117063
Energy: 2.7760998938513395
Energy: 2.351751075487007
Energy: 2.249886313645512
Energy: 2.381410626935782
Energy: 3.1464784514441084
Energy: 2.4337357738735723
Energy: 3.2199633792764257
Energy: 2.5414513796994327
Energy: 2.9993055975479557
Energy: 2.3260960115487164
Energy: 2.400033894940686
Energy: 2.5199536719806037

minimum gb energy = 1.8183419288019798 eV
minimum distance =  2.16244647704661 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.315355693863336
Energy: 2.47125175531634
Energy: 2.728596231292171
Energy: 2.829772423404903
Energy: 2.4229675860230273
Energy: 2.520394643225103
Energy: 2.3863894183070316
Energy: 2.27697389060119
Energy: 2.8730276554272773
Energy: 2.583455024034261
Energy: 2.59118876283714
Energy: 2.480622158130006
Energy: 2.4667493025620693
Energy: 2.7092809113853527
Energy: 2.283565561735277
Energy: 2.830929064266121
Energy: 2.3845602810445947
Energy: 2.334464777237007
Energy: 2.3372151134299965
Energy: 2.5818216732422807
Energy: 2.6478381801081583
Energy: 2.5281302261780736
Energy: 2.4436034295681166
Energy: 2.4045518420799934
Energy: 2.4064497801848757
Energy: 2.411606136431314
Energy: 2.1620061351706967
Energy: 2.450074078376464
Energy: 2.131512618013779
Energy: 2.3769083353782445
Energy: 2.3338267658364824
Energy: 2.5910491157139464
Energy: 2.661013502401922
Energy: 2.6568269301635996
Energy: 2.5386291149121107
Energy: 1.774812618908027
Energy: 2.424869478117758
Energy: 2.2306402162152037
Energy: 2.644293752086253
Energy: 2.523485796916973
Energy: 2.5205266100065136
Energy: 2.421352487970198
Energy: 2.703277886431976
Energy: 2.5853521127916115
Energy: 2.4919355529992813
Energy: 2.439218295275346
Energy: 2.2345929910885007
Energy: 2.2146509128778424
Energy: 2.3613262243696505
Energy: 2.196483957138919
Energy: 2.7590626108948473
Energy: 2.3257011299983197
Energy: 2.4895904591331135
Energy: 2.305967201259384
Energy: 2.420485556797506
Energy: 2.5905051643811556
Energy: 2.2086063545201293
Energy: 2.640470450493587
Energy: 2.3759245949993684
Energy: 2.6166220654031345
Energy: 2.6489290243102595
Energy: 2.636282683019237
Energy: 2.6671254680810903
Energy: 2.3892180209612883
Energy: 2.352357126748849
Energy: 2.342479607875463
Energy: 2.662871333891347
Energy: 2.7240707981837056
Energy: 2.5237604629674313
Energy: 2.4460729517612165
Energy: 2.30120869189356
Energy: 2.7837932691697236
Energy: 2.618098924009749
Energy: 2.581951422919056
Energy: 2.359720824803845
Energy: 2.5384719184060445
Energy: 2.7613216090085975
Energy: 2.3031158445878135
Energy: 3.0641551256070314
Energy: 2.617275383857484
Energy: 2.6957420509748293
Energy: 2.547787077873929
Energy: 2.473080069248469
Energy: 2.7478029890606726
Energy: 2.357171459714302
Energy: 2.642683532270753
Energy: 2.5015125073570084
Energy: 2.6431645768803933
Energy: 2.5026994655793633
Energy: 2.3613012086031975
Energy: 2.3880828497029336
Energy: 2.502402706946867
Energy: 2.815253790515988
Energy: 2.61336326719992
Energy: 2.7529115337127643
Energy: 2.2882851365340473
Energy: 2.397741411756113
Energy: 2.746593848772502
Energy: 2.248235403359379
Energy: 2.8842029131815003
Energy: 2.188835011018531
Energy: 2.4248629371762607
Energy: 2.5338359686030287
Energy: 2.353476134825373
Energy: 2.7250283880470323
Energy: 2.56952433502061
Energy: 2.522874542165469
Energy: 2.3571236037220973
Energy: 2.397784766950536
Energy: 2.316974203830696
Energy: 2.4098013367750193
Energy: 2.5538147191023706
Energy: 2.0812180171415173
Energy: 2.3963781358896887
Energy: 2.1931577968132068
Energy: 2.6208102889782343
Energy: 2.661349306128664
Energy: 2.4246074933431423
Energy: 2.4865511866501926
Energy: 1.9473609801080947
Energy: 2.2118443642465624
Energy: 2.436376401791922
Energy: 2.580730630055754
Energy: 2.722827866187625
Energy: 2.770387330428307
Energy: 2.2738251994649725
Energy: 2.2665372733477454
Energy: 2.6292680764072776
Energy: 2.6303531596277288
Energy: 2.5134494904313063
Energy: 2.396735526695459
Energy: 2.2647735403918205
Energy: 2.4341278912929307
Energy: 2.4243452794873246
Energy: 2.8874954069747334
Energy: 2.541250549872622
Energy: 2.3902197010041033
Energy: 2.3033412344655013
Energy: 2.30073900476761
Energy: 2.669043158797761
Energy: 2.1215630398165497
Energy: 2.448957784376514
Energy: 2.3709174130211146
Energy: 2.3916550407446096
Energy: 2.602057307184679
Energy: 2.4416151140899873
Energy: 2.488390152271845
Energy: 2.278530923684752
Energy: 2.254123132232238
Energy: 2.058401166193318
Energy: 2.5949683160396546
Energy: 2.787055303593821
Energy: 2.4509828466141697
Energy: 2.610337135391759
Energy: 2.4067006778399778
Energy: 2.592158187658846
Energy: 2.5011493602911887
Energy: 2.6803506365264393
Energy: 2.4950232174268314
Energy: 2.6899688341409123
Energy: 2.6296957971380293
Energy: 2.2019989709959753
Energy: 2.7812560861385376
Energy: 2.3265221622229637
Energy: 2.5687630958351404
Energy: 2.7144776655169363
Energy: 2.4406768553780513
Energy: 2.809102423079912
Energy: 2.5595360169860113
Energy: 2.8088645870757065
Energy: 2.7014594555218743
Energy: 3.0469852821603176
Energy: 2.5544483872860617
Energy: 2.629785647107437
Energy: 2.7955248268903397

minimum gb energy = 1.774812618908027 eV
minimum distance =  2.12713194231375 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 2.4909005892631724
Energy: 2.6197373883271657
Energy: 2.499939724599318
Energy: 2.7260634939208965
Energy: 2.7608206486083766
Energy: 2.5096390891298634
Energy: 2.667006374261775
Energy: 2.4718909372901954
Energy: 2.9884668317759733
Energy: 2.602065001681885
Energy: 2.7171009471109255
Energy: 2.72150562518564
Energy: 2.6121119461763396
Energy: 2.924156236654177
Energy: 2.5306591294864287
Energy: 2.671091306374123
Energy: 2.358071957933143
Energy: 2.391499500372236
Energy: 2.514649540781312
Energy: 2.449812666832123
Energy: 2.589202889347934
Energy: 2.381087452269063
Energy: 2.7840359975481834
Energy: 2.4121594313217627
Energy: 2.6134115515828045
Energy: 2.5955343905401276
Energy: 2.3404545481783385
Energy: 2.7107024055258724
Energy: 2.145160511565644
Energy: 2.774562648527592
Energy: 2.5487872075876936
Energy: 2.5739031599135758
Energy: 2.5482749733124894
Energy: 2.4290855122645896
Energy: 2.6379245881011064
Energy: 2.2610416502071815
Energy: 2.307940617965703
Energy: 2.345832380956138
Energy: 2.5799200341997337
Energy: 2.41194934677635
Energy: 2.4779755593350785
Energy: 2.4753756688666657
Energy: 2.5338346096034634
Energy: 2.5760885671163525
Energy: 2.541118178271293
Energy: 2.504139282595851
Energy: 2.431374553376501
Energy: 2.567346919261655
Energy: 2.5845079850591066
Energy: 2.493183958373366
Energy: 2.6470252115831086
Energy: 2.3810757249182033
Energy: 2.481841995071785
Energy: 2.458281094653279
Energy: 2.4207967257519645
Energy: 2.612084042516414
Energy: 2.3485487584853075
Energy: 2.6213364922096343
Energy: 2.394868592820456
Energy: 2.499962032792484
Energy: 2.4077586492856247
Energy: 2.3977527988287313
Energy: 2.465794395596541
Energy: 2.333026393331641
Energy: 2.4695922665747005
Energy: 2.4876299290239636
Energy: 2.5449240675886293
Energy: 2.580293332232115
Energy: 2.5584199822399283
Energy: 2.4659578650765397
Energy: 2.280395434493312
Energy: 2.4846158113444785
Energy: 2.350729467254358
Energy: 2.538847199962498
Energy: 2.561104973610569
Energy: 2.5728171461064
Energy: 2.6019267581635566
Energy: 2.495167633431159
Energy: 2.5756386218334613
Energy: 2.411298019949511
Energy: 2.4333970629214154
Energy: 2.425485024404363
Energy: 2.377151465385589
Energy: 2.6292209526103507
Energy: 2.4496355503924163
Energy: 2.638406333194013
Energy: 2.322872134622927
Energy: 2.4482382501435573
Energy: 2.4438609568607266
Energy: 2.3401473549789498
Energy: 2.659998114122067
Energy: 2.3836472311370094
Energy: 2.599089605459174
Energy: 2.548152139329566
Energy: 2.5594785784636485
Energy: 2.538483154867917
Energy: 2.553499668240918
Energy: 2.5410467701288058
Energy: 2.197878872876008
Energy: 2.5000678110595103
Energy: 2.419050376344819
Energy: 2.5125152482291213
Energy: 2.524189767490712
Energy: 2.4515075966945457
Energy: 2.5022287638900247
Energy: 2.2465381346957836
Energy: 2.497536976826102
Energy: 2.4759547124417147
Energy: 2.485991116228958
Energy: 2.509908765084361
Energy: 2.4643542721180443
Energy: 2.6817736376176002
Energy: 2.484919917466389
Energy: 2.6594052044949037
Energy: 2.4315240480340647
Energy: 2.583327200414494
Energy: 2.572788820595021
Energy: 2.475260184212254
Energy: 2.695844124438445
Energy: 2.3708474414885687
Energy: 2.756303325493901
Energy: 2.415508458765248
Energy: 2.4126329309516157
Energy: 2.4432004375440073
Energy: 2.4546344298165543
Energy: 2.6161420544841696
Energy: 2.536936477922728
Energy: 2.761389740658374
Energy: 2.4399516736242823
Energy: 2.761097635205029
Energy: 2.702892021804613
Energy: 2.6148489198868115
Energy: 2.7932962694284864
Energy: 2.2689411372537904
Energy: 2.504216705190426
Energy: 2.400627547613719
Energy: 2.668542394450702
Energy: 2.6765167270319106
Energy: 2.416428489247277
Energy: 2.6134056726612296
Energy: 2.6561445264799546
Energy: 2.7883471192687734
Energy: 2.40909933730646
Energy: 2.528079370294885
Energy: 2.4982662513912923
Energy: 2.458032836245854
Energy: 2.7759758488524464
Energy: 2.499967848315057
Energy: 2.921957400614974
Energy: 2.4344690185214906
Energy: 2.755944035414365
Energy: 2.5819287624484213
Energy: 2.516735860914677
Energy: 2.8856863647482855
Energy: 2.3508412975825737
Energy: 2.5053373611091985
Energy: 2.4414149858758067
Energy: 2.679745737667265
Energy: 2.704520679280497
Energy: 2.482699690289479
Energy: 2.519754212119336
Energy: 2.485017535414883
Energy: 2.8240020511405963
Energy: 2.494459024516072
Energy: 2.8137313144446274
Energy: 2.7824197725999653
Energy: 2.498620871265089
Energy: 2.865997692165507
Energy: 2.4946340266999445
Energy: 2.806089253360944
Energy: 2.4170537159474943
Energy: 2.5310749333599514
Energy: 2.431357642733904
Energy: 2.512972027287424
Energy: 2.746288304031509
Energy: 2.282734831335838
Energy: 2.7393268915449487
Energy: 2.4051912378252256
Energy: 2.622846214244237
Energy: 2.603327174768827
Energy: 2.4346029403598446
Energy: 2.691199134417179
Energy: 2.215802868334201
Energy: 2.672250727053645
Energy: 2.524772200248892
Energy: 2.6286640898806484
Energy: 2.4657445826534854
Energy: 2.4697892080592374
Energy: 2.6631948885273036
Energy: 2.203221228605808
Energy: 2.4159378731891494
Energy: 2.3713538013969293
Energy: 2.558502517273432
Energy: 2.430815283562781
Energy: 2.4204213181476355
Energy: 2.499852378816057
Energy: 2.497209460723035
Energy: 2.582262249614829
Energy: 2.506033917807148
Energy: 2.5460464677773724
Energy: 2.4410754204870733
Energy: 2.5489871768507837
Energy: 2.572428919524981
Energy: 2.392058432065079
Energy: 2.675306020343374
Energy: 2.284475331092043
Energy: 2.529244250917723
Energy: 2.4350118151442977
Energy: 2.418325521095226
Energy: 2.6283089076905575
Energy: 2.4219385768628987
Energy: 2.553110529785183
Energy: 2.431062051196717
Energy: 2.534747385245423
Energy: 2.4794609010364415
Energy: 2.442699675780362
Energy: 2.4905569982864426
Energy: 2.237424315273316
Energy: 2.5061301007977623
Energy: 2.4226243646867456
Energy: 2.653179659974404
Energy: 2.606910306550699
Energy: 2.4042181047670903
Energy: 2.508378810350888
Energy: 2.2163491640892685
Energy: 2.4779096497990896
Energy: 2.34578783675357
Energy: 2.636059360538051
Energy: 2.5397816955893227
Energy: 2.5379135082508095
Energy: 2.560364446752107
Energy: 2.503044669701949
Energy: 2.5261207581806446
Energy: 2.329393068149571
Energy: 2.4318317263849987
Energy: 2.4560748379962964
Energy: 2.355493959353965
Energy: 2.637333227711614
Energy: 2.553383777440895
Energy: 2.6094600378074633
Energy: 2.385873733558922
Energy: 2.4267298385869682
Energy: 2.4410908599438064
Energy: 2.3863448640427416
Energy: 2.6408992149486124
Energy: 2.4806349377958323
Energy: 2.485902358796906
Energy: 2.5255798643033045
Energy: 2.536254800308385
Energy: 2.5551227717064418
Energy: 2.475481448499012
Energy: 2.4424785014479706
Energy: 2.2816622291286874
Energy: 2.379558642990372
Energy: 2.3606613522325173
Energy: 2.5302984957966688
Energy: 2.5785201624328895
Energy: 2.4909621290189525
Energy: 2.4543287565421537
Energy: 2.215932742303424
Energy: 2.4838556867860593
Energy: 2.4616955354110597
Energy: 2.525611756448603
Energy: 2.4209056360133174
Energy: 2.4500781832128706
Energy: 2.647691349369109
Energy: 2.5176341565473837
Energy: 2.6464801591212446
Energy: 2.4371206773108325
Energy: 2.511092718302355
Energy: 2.562313348703034
Energy: 2.416375849567769
Energy: 2.710162940298035
Energy: 2.404527183697403
Energy: 2.5522227976051286
Energy: 2.433218270171004
Energy: 2.4750330657948827
Energy: 2.567714756026773
Energy: 2.424591714211442
Energy: 2.6989281854062903
Energy: 2.419911185405348
Energy: 2.9162345707980277
Energy: 2.4261867769127528
Energy: 2.776730738715202
Energy: 2.678438283606936
Energy: 2.4040568764111923
Energy: 2.851073934758151
Energy: 2.3019326705576884
Energy: 2.5038801998781874
Energy: 2.4227659098121133
Energy: 2.63492449020086
Energy: 2.6860849355631418
Energy: 2.5147468905236567
Energy: 2.5948000025555733
Energy: 2.580379444635951
Energy: 2.9041156139796502
Energy: 2.421001521722509
Energy: 2.7025228812122477
Energy: 2.6356634491735185
Energy: 2.495752684265197
Energy: 2.7719484000426333
Energy: 2.613970898404886
Energy: 2.933155639548315
Energy: 2.5533033641156178
Energy: 2.6398455321775063
Energy: 2.5741210204531626
Energy: 2.4751643465375825
Energy: 2.8777293103494577
Energy: 2.361521551151425
Energy: 2.686568101134169
Energy: 2.4244602830623374
Energy: 2.702512417515059
Energy: 2.6594279578568485
Energy: 2.4774716160676
Energy: 2.64795719790925

minimum gb energy = 2.145160511565644 eV
minimum distance =  2.02886171794507 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.9151452274853846
Energy: 2.705786248936897
Energy: 1.8531781431751493
Energy: 1.9847288966104797
Energy: 1.8640512879890199
Energy: 1.8717819275427423
Energy: 2.7282082481873227
Energy: 1.9030300775371447
Energy: 3.0425903964029657
Energy: 1.9820843343982317
Energy: 2.3261286528945826
Energy: 2.372770837618475
Energy: 2.200204077123012
Energy: 3.4659369158524673
Energy: 1.8970225463522723
Energy: 2.9900280011702285
Energy: 1.9308104620077977
Energy: 2.0467653730366893
Energy: 2.0477209179225575
Energy: 2.070143123461078
Energy: 2.17463384851298
Energy: 1.8510944911036218
Energy: 3.2679573987415473
Energy: 1.9555352914222788
Energy: 2.075719371298636
Energy: 2.5325689780873226
Energy: 2.1088894337045234
Energy: 2.5358076246101757
Energy: 1.8475064477840204
Energy: 3.025912511451276
Energy: 1.8590532142348455
Energy: 3.2311859438037693
Energy: 2.210215213035449
Energy: 1.786075762540527
Energy: 2.948035583848546
Energy: 1.9430471779982175
Energy: 2.987415637026824
Energy: 1.7765276238993408
Energy: 2.1657168321157734
Energy: 2.100987976731153
Energy: 1.893106365760893
Energy: 2.589340865013744
Energy: 1.8762832416815265
Energy: 3.0256958666588454
Energy: 1.9996503075794925
Energy: 2.0094271874211054
Energy: 2.295963265099143
Energy: 2.2656418983963715
Energy: 3.4174583632975155
Energy: 1.9868093072979842
Energy: 3.1118855021199834
Energy: 1.947277015164636
Energy: 2.4295453522940043
Energy: 2.039484427934146
Energy: 2.1112378247899963
Energy: 3.543435299788477
Energy: 2.0103081812570207
Energy: 2.7993761639042534
Energy: 1.90738727460631
Energy: 2.4539636639003843
Energy: 2.138187956215118
Energy: 2.1065116927247103
Energy: 2.2184255933583903
Energy: 1.804472646454208
Energy: 2.8672384057410882
Energy: 1.861725659691695
Energy: 2.9129301577092006
Energy: 3.06187743420442
Energy: 1.7955292816784565
Energy: 3.0475470447446087
Energy: 1.9937651156572698
Energy: 2.949362567965605
Energy: 1.8565963371392762
Energy: 2.2617699979580825
Energy: 2.270447850737948
Energy: 1.9663373622598963
Energy: 2.7510566823752463
Energy: 1.8629403977224537
Energy: 3.190712269325661
Energy: 1.9354416128293
Energy: 2.051222658361891
Energy: 2.1373103005445775
Energy: 2.173209450098017
Energy: 3.2591375337142026
Energy: 1.942087404627658
Energy: 3.2117338255827064
Energy: 1.9993566329221584
Energy: 2.1045863911263254
Energy: 2.167366929121822
Energy: 2.1367955343692193
Energy: 3.34894293849884
Energy: 1.9305379755195036
Energy: 3.2000105465968267
Energy: 2.033637703022701
Energy: 2.296938148674157
Energy: 2.037435768019289
Energy: 2.217108284693786
Energy: 2.28929129501207
Energy: 1.8878381400280764
Energy: 3.3495892634896123
Energy: 1.8735481639971823
Energy: 2.4965961566245842
Energy: 2.2622459250627527
Energy: 2.129401669925707
Energy: 3.095268471486618
Energy: 1.8617118977927858
Energy: 3.0543738366390896
Energy: 1.9948546787725618
Energy: 1.9964217531030264
Energy: 1.999555799370802
Energy: 1.9707780246303
Energy: 2.5606505343378756
Energy: 1.8564614435911333
Energy: 3.041429758171513
Energy: 1.946250444353727
Energy: 2.1164886843177992
Energy: 1.9709444600190122
Energy: 2.2391667921390326
Energy: 2.187403330211725
Energy: 1.911253045639087
Energy: 3.349612960725524
Energy: 1.8773992795373329
Energy: 2.2581153087722172
Energy: 2.0595992643520753
Energy: 2.1566382396498662
Energy: 3.0742317824414958
Energy: 1.995214393964777
Energy: 3.261093477785582
Energy: 1.9838868421224507
Energy: 1.8746556568668014
Energy: 2.320229148050156
Energy: 2.1350103282219193
Energy: 2.5956146982044666
Energy: 1.9721954600424296
Energy: 3.325056515730659
Energy: 1.9560486255589988
Energy: 2.33536801270993
Energy: 2.155910267120804
Energy: 2.2286240257675174
Energy: 3.1095511231289663

minimum gb energy = 1.7765276238993408 eV
minimum distance =  2.03800184422519 Angstroms
sigma value = 23