Model name: model_name=Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.149889349937439
cohesive_energy=3.8615287066971016
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.29641579127854e-19, 2.51596205543556e-19, 3.29280943996314e-19, 3.63314380055742e-19, 3.97480796775792e-19, 4.31925992230158e-19, 4.555837324078019e-19, 4.69644434547786e-19, 4.847641754428439e-19, 5.04209793249702e-19, 5.25047702551506e-19, 5.441792937380999e-19, 5.59414391350806e-19, 5.709612783520439e-19, 5.803227964245059e-19, 5.883128512982639e-19, 5.952999435991379e-19, 6.01261642854252e-19, 6.0616750770756e-19, 6.10264273360698e-19, 6.136480704117059e-19, 6.162884575045379e-19, 6.18034830035598e-19, 6.18637248449982e-19, 6.179403016141919e-19, 6.15703663033128e-19, 6.11755899806952e-19, 6.05746135252818e-19, 5.9699504647791e-19, 5.84832923649216e-19, 5.68870437844674e-19, 5.4865737743013e-19, 5.22932829394626e-19, 4.891333111237619e-19, 4.43197304850348e-19, 3.6926165972114997e-19, 1.77732658362888e-19, -5.429103698439719e-20, -3.33994547653542e-19, -6.655682064131099e-19, -1.0694080422492479e-18, -1.60712735979906e-18, -2.3914408874410796e-18, -3.5557106038362e-18, -5.270055623982539e-18, -8.40380096772216e-18, -1.452498088498452e-17, -1.6163238536782197e-17, -1.73831358259098e-17, -1.9125182480058e-17, -2.1425107038164998e-17, -2.4560887146229798e-17, -2.97274261378896e-17, -3.9839884398707396e-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: 0.012785239987224521
Energy: 0.26080202461013713
Energy: 0.038484793950118217
Energy: 0.03846144002601932
Energy: 0.015329821513642624
Energy: 0.013483426714757718
Energy: 0.03891878945870931
Energy: 0.038694925426811376
Energy: 0.03824278325249482
Energy: 0.014894614226916595
Energy: 0.01757327584676728
Energy: 0.04049921511180249
Energy: 0.0392015250191837
Energy: 0.03914716705735535
Energy: 0.04104505234717457
Energy: 0.03846463751997824
Energy: 0.04056013843667113
Energy: 0.039191380709921834
Energy: 0.03940362588717375
Energy: 0.04057166045549604
Energy: 0.04098050349850113
Energy: 0.016094378728246234
Energy: 0.01321898374966434
Energy: 0.039941530773856794
Energy: 0.038559058319480685
Energy: 0.04044085043928041
Energy: 0.015837516057550072
Energy: 0.01319740084723946
Energy: 0.03936906281071226
Energy: 0.03869769270139822
Energy: 0.038654706997909793
Energy: 0.01357144481205741
Energy: 0.017281420076531825
Energy: 0.04072986574975008
Energy: 0.0381272400230643
Energy: 0.03906953068541391
Energy: 0.013884137241248021
Energy: 0.017507304532091667
Energy: 0.04154578658008701
Energy: 0.03800105359261966
Energy: 0.03853838520618305
Energy: 0.03838704833521919
Energy: 0.039911604572766816
Energy: 0.016517189685675768
Energy: 0.013451814357230002
Energy: 0.03834744701493368
Energy: 0.04031123103943623
Energy: 0.03939333466695952
Energy: 0.015811833666372337
Energy: 0.041552050504511405
Energy: 0.041564854372890606
Energy: 0.03823824939339681
Energy: 0.04020232755336636
Energy: 0.01752902930748207
Energy: 0.016828239512122874
Energy: 0.04015297830364489
Energy: 0.03818537586106949
Energy: 0.040235061487575205
Energy: 0.016322251865383653
Energy: 0.017467218932957992
Energy: 0.017245538889026687
Energy: 0.04007607029389723
Energy: 0.038792924793184365
Energy: 0.03946728784077911
Energy: 0.03990371318698184
Energy: 0.016392930304447346
Energy: 0.03997024766701838
Energy: 0.03863689997621113
Energy: 0.03996493265702777
Energy: 0.03974288766505838

minimum gb energy = 0.012785239987224521 eV
minimum distance =  2.89738888361877 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.5051294806864758
Energy: 0.48238521046882005
Energy: 0.4807363280463663
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Energy: 0.5753567572112136
Energy: 0.4784546488233012
Energy: 0.4824840775421288
Energy: 0.4819656910538554
Energy: 0.5072786388769881
Energy: 0.42091841194919855
Energy: 0.5089161562598473
Energy: 0.4776310438887942
Energy: 0.48965736222096506
Energy: 0.4147315958290687
Energy: 0.4150582027082484
Energy: 0.47888221349505605
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Energy: 0.4264938153653117
Energy: 0.4262646509277545
Energy: 0.4183141544074831
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Energy: 0.4343758026239446
Energy: 0.42090120446881074
Energy: 0.4523598753607199
Energy: 0.4200903083069302
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Energy: 0.5088480803335957
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Energy: 0.5236843471942842
Energy: 0.5056027024184515
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Energy: 0.3924972511236497
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Energy: 0.43287173716458127
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Energy: 0.46142393820714184
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Energy: 0.44605417864458385
Energy: 0.5079455333415943
Energy: 0.43632120092765614
Energy: 0.44486565739628364
Energy: 0.46328404216734215
Energy: 0.44769355278534423
Energy: 0.45862160330831525
Energy: 0.42981220632552564
Energy: 0.4759658844513503
Energy: 0.4698656924679908
Energy: 0.45544111752788313
Energy: 0.467970062864512
Energy: 0.42947768824786453
Energy: 0.45658794462013746
Energy: 0.4805039073992827
Energy: 0.47676191476108265
Energy: 0.46795133122426774
Energy: 0.4148510676552691
Energy: 0.4792448075197911
Energy: 0.5128344659199685
Energy: 0.5214268034315296
Energy: 0.5139659702421193
Energy: 0.5136064565097626
Energy: 0.4895539710731722
Energy: 0.4981564545821847
Energy: 0.5044394662565911
Energy: 0.48107008182042815
Energy: 0.5096569411710155
Energy: 0.47202009876219625
Energy: 0.5151297083524086
Energy: 0.5042029474875335
Energy: 0.415052875015023
Energy: 0.4299657041910824
Energy: 0.4786622050553648
Energy: 0.47430394550063393
Energy: 0.5257394188373906
Energy: 0.4143601546189171
Energy: 0.4196126394497749
Energy: 0.47729072410530154
Energy: 0.4761113925453953
Energy: 0.47560196958304685
Energy: 0.5009812679628605
Energy: 0.48260092763805196
Energy: 0.4790585162626496
Energy: 0.4754035700503566
Energy: 0.5078549094393171
Energy: 0.5100291145249508
Energy: 0.476653874691983
Energy: 0.47746167965455955
Energy: 0.4773405713333769
Energy: 0.5034847145425319

minimum gb energy = 0.39214180998035164 eV
minimum distance =  2.64754224495065 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.523985369935275
Energy: 0.48666638617885094
Energy: 0.4830274126422897
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minimum gb energy = 0.4595112099985141 eV
minimum distance =  2.65384850055437 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.487947328750785
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Energy: 0.48554184718489585
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Energy: 0.4603433638758195
Energy: 0.48738351169249616
Energy: 0.46033380576254623
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Energy: 0.4714899811849589
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Energy: 0.47224433019265527
Energy: 0.4875531072373661
Energy: 0.4543354877194385
Energy: 0.4742393195525774
Energy: 0.48566869801649587
Energy: 0.4737088700594562
Energy: 0.4920616406386334
Energy: 0.45509892627975196
Energy: 0.4612250852981036
Energy: 0.4717447005530015
Energy: 0.5164727853800395
Energy: 0.47921148514268885
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Energy: 0.45969546390114807
Energy: 0.4705042651269978
Energy: 0.5119818665056937
Energy: 0.47821907948833947
Energy: 0.4605735271161485
Energy: 0.4599775700836377
Energy: 0.4986658957737499
Energy: 0.49127033640027273
Energy: 0.5017787771069401
Energy: 0.46982294546013786
Energy: 0.45287961355425255
Energy: 0.5020280537456794
Energy: 0.49098488135886426
Energy: 0.48742668867534555
Energy: 0.49181438517579834
Energy: 0.49350359591393994
Energy: 0.5006210197134204
Energy: 0.4580166732794826
Energy: 0.457489350514157
Energy: 0.49633120434015066
Energy: 0.5050452482955474
Energy: 0.4955700429181427
Energy: 0.46016735409551385
Energy: 0.45961700498959884
Energy: 0.49152086952948354
Energy: 0.48183173894975384
Energy: 0.4659286105627929
Energy: 0.45737045511882923
Energy: 0.45492554303019433
Energy: 0.4948886228691581
Energy: 0.4739431117839276
Energy: 0.4645837039245572
Energy: 0.45994532038438635
Energy: 0.4607057813375411
Energy: 0.49412376221052495
Energy: 0.4588336466607193
Energy: 0.4539282021025896
Energy: 0.49876702420919505
Energy: 0.45675151354000965
Energy: 0.49967476204505673
Energy: 0.4638941691273745
Energy: 0.45393933136608355
Energy: 0.4913381265523171
Energy: 0.4557099470327959
Energy: 0.49931405588102434
Energy: 0.45792242530777155
Energy: 0.475180244175388
Energy: 0.48175194520069103
Energy: 0.4904475925702203
Energy: 0.4538034847538106
Energy: 0.45668647703583826
Energy: 0.4631772884675572
Energy: 0.4755267629745989
Energy: 0.47492813097143527
Energy: 0.45811340739968065
Energy: 0.497090153656439
Energy: 0.46512783127893254
Energy: 0.4771220380142066
Energy: 0.4734804517118493
Energy: 0.48233059371642395
Energy: 0.4957939447857827
Energy: 0.4617984220624147
Energy: 0.47638768184722585
Energy: 0.47316244455205037
Energy: 0.5058667928575113

minimum gb energy = 0.45256565717963 eV
minimum distance =  2.6675871112599 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.632182209225314
Energy: 0.4443757841964281
Energy: 0.45266404592789444
Energy: 0.4544008893052257
Energy: 0.4417906439315575
Energy: 0.4671988242403474
Energy: 0.4412352056908163
Energy: 0.45576887547367345
Energy: 0.4547509343547411
Energy: 0.46084679283599234
Energy: 0.4618117223936147
Energy: 0.4685958628448173
Energy: 0.4522649212130445
Energy: 0.44993896030969277
Energy: 0.43890430594305385
Energy: 0.4472367351963731
Energy: 0.4459690355404813
Energy: 0.4569052584396723
Energy: 0.4643331779290903
Energy: 0.4625496972657684
Energy: 0.45311284047941963
Energy: 0.5085010640175007
Energy: 0.4721584576188612
Energy: 0.45107828390310833
Energy: 0.44312112047290747
Energy: 0.44524135058022707
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Energy: 0.4641011007652203
Energy: 0.46300851185378494
Energy: 0.47279661044059385
Energy: 0.46740138974276385
Energy: 0.4617932482501338
Energy: 0.46504849510089524
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Energy: 0.45328337595949136
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Energy: 0.47470910841546526
Energy: 0.4365370967284009
Energy: 0.43797957313019464
Energy: 0.456494628267435
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Energy: 0.4730115853354095
Energy: 0.45368867759853065
Energy: 0.4369656068713708
Energy: 0.4493164239433171
Energy: 0.4705895193729823
Energy: 0.47098670835130024
Energy: 0.4334265535645283
Energy: 0.45710419657956636
Energy: 0.4534538166121648
Energy: 0.46675775080428034
Energy: 0.4670212497994348
Energy: 0.46985688177390605
Energy: 0.4568320322365138
Energy: 0.46659924297535793
Energy: 0.4670660639259043
Energy: 0.47004916372596145
Energy: 0.47272215854219324
Energy: 0.45843619711088274
Energy: 0.46573556873165384
Energy: 0.4517046789607321
Energy: 0.4528355828379348
Energy: 0.4505889539177309
Energy: 0.4390681461868186
Energy: 0.4596258801406505
Energy: 0.47086094569323644
Energy: 0.48327942299848414
Energy: 0.4467115865940636
Energy: 0.46638599693956223
Energy: 0.4809488769991537
Energy: 0.45780587660156385
Energy: 0.4562266544206698
Energy: 0.45131599361033287
Energy: 0.45323439055313713
Energy: 0.4550797071119399
Energy: 0.46633209571324163
Energy: 0.46774268957468074
Energy: 0.4709914788919777
Energy: 0.4517175539837685
Energy: 0.44945082968359495
Energy: 0.4527030242850786
Energy: 0.46240118871356445
Energy: 0.4693483796756511
Energy: 0.45273199452625845
Energy: 0.44897177912385416
Energy: 0.4641932410104037
Energy: 0.48310943003397794
Energy: 0.47659883135329456
Energy: 0.4538041153886161
Energy: 0.45058676459191327
Energy: 0.4706472978913134
Energy: 0.46230987640298854
Energy: 0.44446227503732305
Energy: 0.44576957819065155
Energy: 0.4500780950365514
Energy: 0.45756858972018905
Energy: 0.46076632120036887
Energy: 0.468203800972542
Energy: 0.4583252228192774
Energy: 0.4652616833123743
Energy: 0.46924788440203424
Energy: 0.45374718987176926
Energy: 0.4462211314486813
Energy: 0.44585470660011356
Energy: 0.43837284283671496
Energy: 0.45692084186861304
Energy: 0.46240631002150173
Energy: 0.45563722474809004

minimum gb energy = 0.4334265535645283 eV
minimum distance =  2.70543644865973 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.4638785801605639
Energy: 0.40278173862384226
Energy: 0.3910003013604331
Energy: 0.39116861929485436
Energy: 0.3849306176524374
Energy: 0.5558292561538166
Energy: 0.3978046331644196
Energy: 0.39178341728631144
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Energy: 0.38728913387345215
Energy: 0.4027508007179652
Energy: 0.38975395464664336
Energy: 0.3996783919916123
Energy: 0.39041673762858947
Energy: 0.38332415291682453
Energy: 0.3998741837266416
Energy: 0.3882030482300907
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Energy: 0.40069436105694933
Energy: 0.3886177962889667
Energy: 0.41014298287459816
Energy: 0.4192503349564132
Energy: 0.3894054997640909
Energy: 0.416302033640523
Energy: 0.3784852680634671
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Energy: 0.42253037892025436
Energy: 0.41779833165140234
Energy: 0.41654795965411545
Energy: 0.38491129416376313
Energy: 0.4024820080030176
Energy: 0.4036973329758975
Energy: 0.37883680748685594
Energy: 0.3881799570167889
Energy: 0.39126670378993883
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Energy: 0.3884749950596358
Energy: 0.48386321282230793
Energy: 0.42051149411148603
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Energy: 0.39873222247104356
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Energy: 0.39073978542582405
Energy: 0.3956615132643603
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Energy: 0.4029472622388035
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Energy: 0.39780888250445234
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Energy: 0.4028265395672933
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Energy: 0.4111256270804885
Energy: 0.39149870385916447
Energy: 0.38803817417723524
Energy: 0.3957948900234839
Energy: 0.42319289976146013
Energy: 0.4343147844032648
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Energy: 0.4047558974228658
Energy: 0.40585931436933204
Energy: 0.394400124149351
Energy: 0.3800704355789168
Energy: 0.3871677176190616
Energy: 0.40131461164228727
Energy: 0.41162659362345877
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Energy: 0.39639410045697826
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Energy: 0.40848024298776303
Energy: 0.40555328075711244
Energy: 0.3780644942917865
Energy: 0.380013706675894
Energy: 0.3910183134958163
Energy: 0.40496237004132074
Energy: 0.40529113876829254
Energy: 0.42254276959244946
Energy: 0.40065742342897054
Energy: 0.41591258296222827
Energy: 0.3981267672086703
Energy: 0.39503086840961177
Energy: 0.38684935825149525
Energy: 0.39013775505007076
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Energy: 0.39756472296920536
Energy: 0.41030633680692224
Energy: 0.3845729248440483
Energy: 0.3933451894041533
Energy: 0.4421970886180595
Energy: 0.4002315562201688
Energy: 0.41087267487474843
Energy: 0.3840540928991386
Energy: 0.3978547282596879
Energy: 0.3924735993492894
Energy: 0.395792948875985
Energy: 0.3872638651603402
Energy: 0.3868836654870335
Energy: 0.3925752272710054
Energy: 0.4023457048644027
Energy: 0.40040523095451047
Energy: 0.3879853202467426
Energy: 0.3873288008499908
Energy: 0.39741347569664237
Energy: 0.3891890972209712
Energy: 0.3944945252972935
Energy: 0.4341153223023499
Energy: 0.41522875231956513
Energy: 0.39806733827389584
Energy: 0.4005350932570763
Energy: 0.3990672474584493
Energy: 0.41109536525622553
Energy: 0.40949104749692233
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Energy: 0.4060444228618535
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Energy: 0.39935737067091115
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Energy: 0.4039602028915864
Energy: 0.3808862266107516
Energy: 0.3973911430166682
Energy: 0.40202302452298266
Energy: 0.402070615821912
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Energy: 0.3882267665070683
Energy: 0.39363662477545447
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Energy: 0.40599573887663637
Energy: 0.396799438062951
Energy: 0.4020566621986623
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Energy: 0.3957243773402401
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Energy: 0.39566280814340615
Energy: 0.40181934714731066
Energy: 0.4038018263859196
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Energy: 0.39905742604687316
Energy: 0.39933523188743425
Energy: 0.39046306760371285
Energy: 0.39031268986957485
Energy: 0.3978282774537954
Energy: 0.3992802118838864
Energy: 0.38594191150193957
Energy: 0.3989602760250076
Energy: 0.39778640495591305
Energy: 0.39583754299594937
Energy: 0.38583345202213554
Energy: 0.4457042681070176
Energy: 0.3882297512460119
Energy: 0.39072727335205715
Energy: 0.4025416628969241
Energy: 0.38606704471072206
Energy: 0.4044637237876101
Energy: 0.414539094372617
Energy: 0.4004699457057977
Energy: 0.3973841304176841
Energy: 0.3944935826166463
Energy: 0.41611726027317847
Energy: 0.41521114543889787
Energy: 0.4036418355093374
Energy: 0.3834980362491942
Energy: 0.3853315849330657
Energy: 0.38460869080398297
Energy: 0.400959735556687
Energy: 0.39483707162215803
Energy: 0.40544210083483917
Energy: 0.4165807313228294
Energy: 0.3913334210877255
Energy: 0.38884125974755246
Energy: 0.4055790351316026
Energy: 0.3800238299128374
Energy: 0.4024786354922132
Energy: 0.37895482010341647
Energy: 0.42459682184681286
Energy: 0.3918591220686445
Energy: 0.3850058608530092

minimum gb energy = 0.37789224352187917 eV
minimum distance =  2.71735727299443 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.3326460489451772
Energy: 0.28039839662613336
Energy: 0.2552424873881276
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Energy: 0.19665738849603406
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Energy: 0.22355752515350988
Energy: 0.26056467059426336
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Energy: 0.2243620299655781
Energy: 0.26537593062451903
Energy: 0.21239387564278714
Energy: 0.21937104403544969
Energy: 0.24219754325808007
Energy: 0.26907752829903653
Energy: 0.26505983548609113
Energy: 0.2136319762827878
Energy: 0.6395039779684082
Energy: 0.22858147615663735
Energy: 0.2909801343126848
Energy: 0.28743003481859153
Energy: 0.19946731726371078
Energy: 0.1973569056209807
Energy: 0.20182000099260272
Energy: 0.20931976220338483
Energy: 0.21452551030163097
Energy: 0.21473255210638992
Energy: 0.28213130279826154
Energy: 0.23965605468393836
Energy: 0.20929975864183406
Energy: 0.21408525862026526
Energy: 0.22581221086050102
Energy: 0.27692141677420495
Energy: 0.2122056770684085
Energy: 0.33119435726350843
Energy: 0.22774569996730967
Energy: 0.258544342638693
Energy: 0.21652584067203742
Energy: 0.21034611858121696
Energy: 0.26887080624690485
Energy: 0.27215754672208126
Energy: 0.26951110678515533
Energy: 0.2566053765379704
Energy: 0.3318648212987415

minimum gb energy = 0.19469607117060397 eV
minimum distance =  2.69680390742648 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.33749081153037236
Energy: 0.33575576544532576
Energy: 0.3487788635654354
Energy: 0.3601718578007136
Energy: 0.33274242065910675
Energy: 0.33442564398489166
Energy: 0.34889307785321744
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Energy: 0.34148605634363155
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Energy: 0.3522541827343114
Energy: 0.346845451623661
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Energy: 0.35327744267165967
Energy: 0.36414597097945434
Energy: 0.33097465909709894
Energy: 0.3624683030947794
Energy: 0.36038432307535917
Energy: 0.35469347696417447
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Energy: 0.3475854531981381
Energy: 0.3628984198086885
Energy: 0.35981020645823525
Energy: 0.3492890401775013
Energy: 0.3487011116722155
Energy: 0.33162203754499076
Energy: 0.3412498383796206
Energy: 0.3450670389965812
Energy: 0.3593307714582917
Energy: 0.3321850486913743
Energy: 0.34137427496829253
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Energy: 0.3879750137147929
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Energy: 0.35860428143552914
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Energy: 0.35005502400126765
Energy: 0.3306930071582707
Energy: 0.3628506687336907
Energy: 0.33609487185913944
Energy: 0.3425938689214771
Energy: 0.36607837783906605
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Energy: 0.34202233652200387
Energy: 0.34247759595104077
Energy: 0.3639564833008357
Energy: 0.3612585332067704
Energy: 0.3496855689781805
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Energy: 0.3432809554376787
Energy: 0.3636752038731374
Energy: 0.34038396706871066
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Energy: 0.364111402571697
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Energy: 0.3312467835455188
Energy: 0.3457465962008818
Energy: 0.36382165688581963
Energy: 0.34496497207035093
Energy: 0.3442815228089291
Energy: 0.33245119083595315
Energy: 0.3322569974291951
Energy: 0.3578364984711425
Energy: 0.3498318021954832
Energy: 0.3412814275167143
Energy: 0.33256116988818046
Energy: 0.33250120217727985
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Energy: 0.3482464913661181
Energy: 0.3412179067256799
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Energy: 0.3442612223221363
Energy: 0.3444924510103984
Energy: 0.35643546579423596
Energy: 0.35680787741368386
Energy: 0.39192594237443307

minimum gb energy = 0.32961904725041763 eV
minimum distance =  2.68442655550915 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.5642277873076689
Energy: 0.45116501109451473
Energy: 0.48227030793639447
Energy: 0.46699733047342823
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Energy: 0.4587076029767638
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Energy: 0.4665173919870129
Energy: 0.4637330175416024
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Energy: 0.4585615161136509
Energy: 0.4582190482516461
Energy: 0.4671831091952893
Energy: 0.4642824672230162
Energy: 0.4559899852178352
Energy: 0.4706407800576224
Energy: 0.46389393052723965
Energy: 0.4637121543386598
Energy: 0.46030102485544194
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Energy: 0.4587379470342008
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Energy: 0.45918114655660236
Energy: 0.4686367277284147
Energy: 0.46564873764730286
Energy: 0.4498943225607723
Energy: 0.4597207287075451
Energy: 0.45609838473850384
Energy: 0.44916575224802774
Energy: 0.4479873465283051
Energy: 0.4500277318473331
Energy: 0.4599444901237595
Energy: 0.4568395914252945
Energy: 0.44949727666619876
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Energy: 0.4499599587519957
Energy: 0.46708748874652656
Energy: 0.4714851298662267
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Energy: 0.45678657601835615
Energy: 0.4502227119421762
Energy: 0.46717979291418443
Energy: 0.4712266550143425
Energy: 0.4562856816122563
Energy: 0.44889902017258965
Energy: 0.46661912924140697
Energy: 0.45386667343829806
Energy: 0.4533979902587173
Energy: 0.456832223257412
Energy: 0.44865852039789605
Energy: 0.4548784188310229
Energy: 0.4447994354943256
Energy: 0.4509350961488853
Energy: 0.49915767087804574
Energy: 0.44883131411549776
Energy: 0.4495337395788952
Energy: 0.4510574428254126
Energy: 0.45647510811547
Energy: 0.46686909130155224
Energy: 0.4497266205087601
Energy: 0.44850822808201046
Energy: 0.45069507570729944
Energy: 0.4652285854523093
Energy: 0.4548506934659319
Energy: 0.44961852633884664
Energy: 0.4441364394063952
Energy: 0.4482765050375186
Energy: 0.45761854353027126
Energy: 0.45803483623159613
Energy: 0.45045752113753645
Energy: 0.4445926996118264
Energy: 0.44873858619000945
Energy: 0.4584173702620823
Energy: 0.45909891929169655
Energy: 0.45001227888950956

minimum gb energy = 0.4441364394063952 eV
minimum distance =  2.6880410905544 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.8181212711446921
Energy: 0.5253386644746652
Energy: 0.5478264456825898
Energy: 0.5352283887508427
Energy: 0.5211458469667729
Energy: 0.6423048613610707
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minimum gb energy = 0.49509414270375923 eV
minimum distance =  2.6587818012075 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.5340871387806909
Energy: 0.5256573396894043
Energy: 0.5197567543034278
Energy: 0.5358112303874688
Energy: 0.5327229881415431
Energy: 0.5150717476769687
Energy: 0.5307462010878615
Energy: 0.5270713458768878
Energy: 0.5323010797029439
Energy: 0.5321288133598391
Energy: 0.5438247549170067
Energy: 0.5679511682316083
Energy: 0.5092191252584054
Energy: 0.5314611096645511
Energy: 0.5325439514532865
Energy: 0.5401565186262197
Energy: 0.5665072700431958
Energy: 0.5184760923156022
Energy: 0.5343382933772985
Energy: 0.5518820871577929
Energy: 0.5365407416649614
Energy: 0.5337387927926777
Energy: 0.5107364953330564
Energy: 0.5481822639701778
Energy: 0.5523672150812663
Energy: 0.5379234820803304
Energy: 0.5339503801289327
Energy: 0.5096503532894533
Energy: 0.5320152700155154
Energy: 0.5367828355627229
Energy: 0.5267519644406994
Energy: 0.5216825989924644
Energy: 0.5146179300527661
Energy: 0.5311791697865964
Energy: 0.5375605845971576
Energy: 0.5229186521086469
Energy: 0.5217801154320214
Energy: 0.5226694010640641
Energy: 0.5367993751565536
Energy: 0.5298375746784129
Energy: 0.5641097975998992
Energy: 0.5207803075233476
Energy: 0.5157892061661381
Energy: 0.5352046015410755
Energy: 0.537701735264108
Energy: 0.563384677259586
Energy: 0.5210578107729054
Energy: 0.5161127211233117
Energy: 0.5153700876362601
Energy: 0.5368273366919853
Energy: 0.5236812991422913
Energy: 0.5207968155958589
Energy: 0.5024297920567377
Energy: 0.5117992262146325
Energy: 0.5364089539062739
Energy: 0.5290274520271511
Energy: 0.5231088332639582
Energy: 0.5023745970435727
Energy: 0.5392686994369537
Energy: 0.5144928646048509
Energy: 0.5231013036558227
Energy: 0.5261219807879166
Energy: 0.535234820343471
Energy: 0.5231362686789925
Energy: 0.5145176067639426
Energy: 0.5229850868270105
Energy: 0.5285969753256048
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Energy: 0.5132375024418758
Energy: 0.5248596633796553
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Energy: 0.5177217525245174
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Energy: 0.5213111143024346
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Energy: 0.5852518221606633
Energy: 0.5239258438401516
Energy: 0.5326427774792073
Energy: 0.5199040221067589
Energy: 0.518349894399206
Energy: 0.5130655715721444
Energy: 0.5337428050685208
Energy: 0.5355326487563349
Energy: 0.5196238331555484
Energy: 0.5147743249253109
Energy: 0.5156537292979299
Energy: 0.53329576748021
Energy: 0.5353981264080051
Energy: 0.514298548468488
Energy: 0.5210821933366299
Energy: 0.5356109698416264
Energy: 0.5343781951023461
Energy: 0.5367791588240394
Energy: 0.514336787398509
Energy: 0.5237241882809257
Energy: 0.5349382054157259
Energy: 0.5370993067208507
Energy: 0.5330832351381483
Energy: 0.5111407795783264
Energy: 0.5486354257389752
Energy: 0.5325230384828171
Energy: 0.5307596179671331
Energy: 0.5377138699635047
Energy: 0.5113284736029646
Energy: 0.6003534077420782
Energy: 0.5352348375908387
Energy: 0.5328962932551328
Energy: 0.5367622268939797
Energy: 0.5205665087566448
Energy: 0.5266171980535279
Energy: 0.5344239619959171
Energy: 0.5546554410236905
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Energy: 0.521680752914846
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Energy: 0.5343339982932337
Energy: 0.5545978026914742
Energy: 0.5365223723672408
Energy: 0.5279456225238903
Energy: 0.5254302338549853
Energy: 0.5200064168489585
Energy: 0.5433680809636775
Energy: 0.5413035074677478
Energy: 0.5238966074017979
Energy: 0.5243997413169702
Energy: 0.519585816062204
Energy: 0.5382426147804319
Energy: 0.5428484717812353
Energy: 0.5243839810063713
Energy: 0.546633303140303
Energy: 0.5166108820768321
Energy: 0.5346921056879008
Energy: 0.531800887043644
Energy: 0.5266923696804773
Energy: 0.5487795394706733
Energy: 0.5327717107957268
Energy: 0.5191787594735691
Energy: 0.5284076310770335
Energy: 0.524597518687505
Energy: 0.5286309784959385
Energy: 0.5982435284547467
Energy: 0.532610935429614
Energy: 0.5418142277256063
Energy: 0.5234224569908745
Energy: 0.5288566530681214
Energy: 0.5978163094961403
Energy: 0.5328924921566409
Energy: 0.540696696699486
Energy: 0.5226302669528138
Energy: 0.5235692328192553
Energy: 0.5374829637891876
Energy: 0.5233676551097993
Energy: 0.5260424756806777
Energy: 0.5198139149456372
Energy: 0.5263089847431363
Energy: 0.5379517369782087
Energy: 0.5201451758324642
Energy: 0.5302619727878927
Energy: 0.5371620065447159
Energy: 0.5410596619128075
Energy: 0.5660126448315126
Energy: 0.5192989058860155
Energy: 0.5230424618492051
Energy: 0.535335669268853
Energy: 0.5506833681963531
Energy: 0.5642946983268491
Energy: 0.5180310608201997
Energy: 0.5259429989354232
Energy: 0.5145681054852084
Energy: 0.5222390215772978
Energy: 0.5217391863449172
Energy: 0.5408350526397718
Energy: 0.5156400172904743
Energy: 0.5168077892034626
Energy: 0.5343116287667615
Energy: 0.5221020674669581
Energy: 0.5483672417294725
Energy: 0.5171954142602072
Energy: 0.5396495145320818
Energy: 0.5309768790471026
Energy: 0.5216979958658753
Energy: 0.5324923984680764
Energy: 0.5182082556208301
Energy: 0.5411965130974886
Energy: 0.5301487311808359
Energy: 0.5197850759910639
Energy: 0.5327672338713056
Energy: 0.5173329914012051
Energy: 0.5366061091508104
Energy: 0.5352474150112986
Energy: 0.5353810947302154
Energy: 0.5219184791213052
Energy: 0.5258561882806198
Energy: 0.5361633191136456
Energy: 0.5328265412104342
Energy: 0.5358072432416349
Energy: 0.535469560350652
Energy: 0.5257753896970874
Energy: 0.5299069459228477
Energy: 0.5351417992633872
Energy: 0.5375142730118764
Energy: 0.6001153782510159
Energy: 0.5108739647773148
Energy: 0.5329094459977807
Energy: 0.5353657014473193
Energy: 0.5325130779030538
Energy: 0.5836045819403439
Energy: 0.518052323524037
Energy: 0.5369650581030192
Energy: 0.5549558630806092
Energy: 0.5431271088220675
Energy: 0.5272515825861641
Energy: 0.5208703360945993
Energy: 0.5351918185990806
Energy: 0.5548413296081018
Energy: 0.543511146008841
Energy: 0.5357477266499736
Energy: 0.510422170805305
Energy: 0.5358163986370712
Energy: 0.5285286318147772
Energy: 0.5313819960778611
Energy: 0.5269194918982556
Energy: 0.5151325515186616
Energy: 0.5315212034996246
Energy: 0.5236748329986852
Energy: 0.5312416689162913
Energy: 0.5284983599311548
Energy: 0.5201142766462603
Energy: 0.5211837879620422
Energy: 0.5251289969849712
Energy: 0.5726923689711318
Energy: 0.5433523751333773
Energy: 0.5204402260054135
Energy: 0.5106775294085849
Energy: 0.5355482724952996
Energy: 0.5737920292228147
Energy: 0.5466688719091327
Energy: 0.5278772386195448

minimum gb energy = 0.5023148781381049 eV
minimum distance =  2.64810476842186 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.5114820774332488
Energy: 0.5116076002004265
Energy: 0.5125457186606024
Energy: 0.5098434231402585
Energy: 0.5063685286994041
Energy: 0.5033902642241099
Energy: 0.5112281502577306
Energy: 0.5119448651636254
Energy: 0.5096868707646176
Energy: 0.5061736498396965
Energy: 0.517797774187527
Energy: 0.5069536291840748
Energy: 0.5062193871119327
Energy: 0.5050796812787333
Energy: 0.509783713259723
Energy: 0.5118586395648426
Energy: 0.5072754170329233
Energy: 0.5035087827171257
Energy: 0.5057369832816898
Energy: 0.5198281088954589
Energy: 0.5097046549212076
Energy: 0.5076181348353195
Energy: 0.5073635766794511
Energy: 0.5107331050137726
Energy: 0.5152673227975769
Energy: 0.5095665967498921
Energy: 0.5074816671974202
Energy: 0.5075550266428445
Energy: 0.5124705987878334
Energy: 0.5149329846124056
Energy: 0.5103926347022205
Energy: 0.5020109221610422
Energy: 0.504461992669976
Energy: 0.5097173108074754
Energy: 0.5073603685421803
Energy: 0.5094216218587584
Energy: 0.5040552099909256
Energy: 0.5052240863319354
Energy: 0.5099072084838692
Energy: 0.5041493083468908
Energy: 0.5091426130117999
Energy: 0.5038399358104028
Energy: 0.500415881155385
Energy: 0.5131898793707198
Energy: 0.510159878797591
Energy: 0.5069685475098007
Energy: 0.5037728701976774
Energy: 0.5014766256327403
Energy: 0.5099229877572126
Energy: 0.5077246052683453
Energy: 0.5080627991792654
Energy: 0.5200359897738009
Energy: 0.5106849478172446
Energy: 0.5066648886071174
Energy: 0.5036423829826459
Energy: 0.5079504451819272
Energy: 0.5206984924712392
Energy: 0.5099884279646948
Energy: 0.5073085184075053
Energy: 0.5050631232448932
Energy: 0.5097567164411193
Energy: 0.5007357171375691
Energy: 0.5100488102814136
Energy: 0.5072329968878297
Energy: 0.5091513809725461
Energy: 0.5095067342008869
Energy: 0.4997297131776741
Energy: 0.5097494917524492
Energy: 0.5073902723099148
Energy: 0.5095935093921158
Energy: 0.519284609276255
Energy: 0.5104754972939719
Energy: 0.5103839218815855
Energy: 0.5007782757193696
Energy: 0.504304162437407
Energy: 0.5206707174040852
Energy: 0.5127404656321654
Energy: 0.5088022444966657
Energy: 0.5022027807586931
Energy: 0.5046915979472204
Energy: 0.5077241507484916
Energy: 0.5036559807805935
Energy: 0.5053530947899754
Energy: 0.5040467677625777
Energy: 0.51487301795996
Energy: 0.5078003526364767
Energy: 0.5059309952867983
Energy: 0.5063847392951069
Energy: 0.5033048277611027
Energy: 0.5197166315837936
Energy: 0.5079186492460592
Energy: 0.5082921874988615
Energy: 0.5132931005249676
Energy: 0.5220852572874853
Energy: 0.5079604249470066
Energy: 0.508379392901083
Energy: 0.5084513477761771
Energy: 0.5129909881250623
Energy: 0.5261127792467175
Energy: 0.5078537065867448
Energy: 0.5099559358560841
Energy: 0.5103260674912433
Energy: 0.519202295173687
Energy: 0.5089520907288595
Energy: 0.5136643061168303
Energy: 0.5107073020638139
Energy: 0.510258666342417
Energy: 0.49978739796255617
Energy: 0.5240781707519967
Energy: 0.5134974433286793
Energy: 0.5107220733829103
Energy: 0.5191582958278763
Energy: 0.518177499558204
Energy: 0.5096088525304882
Energy: 0.5062113929103437
Energy: 0.5037045233343572
Energy: 0.519365340112523
Energy: 0.516444135392889
Energy: 0.509633598843172
Energy: 0.5045209245398184
Energy: 0.5142205518086841
Energy: 0.5069479543723935
Energy: 0.5058090629036309
Energy: 0.5053499207919453
Energy: 0.5097534864365636
Energy: 0.5124085827093359
Energy: 0.507165649084827
Energy: 0.5031241817028318
Energy: 0.5058277772744539
Energy: 0.525384521139822
Energy: 0.5094366054149692
Energy: 0.5084634459485454
Energy: 0.5073699621494512
Energy: 0.5186007767170882
Energy: 0.5148231707610542
Energy: 0.5097608699513448
Energy: 0.5077471759793473
Energy: 0.5076559621787448
Energy: 0.5115553504030277
Energy: 0.5145939190566953
Energy: 0.512692990432116
Energy: 0.5048601498404316
Energy: 0.5045798596351283
Energy: 0.5095867566165481
Energy: 0.5214462727889555
Energy: 0.5109532930525745
Energy: 0.5039811001745215
Energy: 0.5057728487928551
Energy: 0.509589968855476
Energy: 0.5093649447635574
Energy: 0.5091094010262719
Energy: 0.5041780484459302
Energy: 0.5008591934593993
Energy: 0.5136091209779141
Energy: 0.5100071119570885
Energy: 0.5068843006152465
Energy: 0.5030364460000765
Energy: 0.5019114956411141
Energy: 0.5100280028092519
Energy: 0.5104188884464442
Energy: 0.5071176578470045
Energy: 0.5200476167011987
Energy: 0.5109090395813344
Energy: 0.5070976089723139
Energy: 0.5037577702171304
Energy: 0.5083842822878828
Energy: 0.5200026166988131
Energy: 0.5101380467150289
Energy: 0.5069807856896542
Energy: 0.5051974860562888
Energy: 0.5231596816969959
Energy: 0.5006280429041383
Energy: 0.5100505832899633
Energy: 0.5080976411349207
Energy: 0.5091250175160813
Energy: 0.511780905791245
Energy: 0.49961320882383903
Energy: 0.5100656325683924
Energy: 0.5080973262397985
Energy: 0.5083533744196733
Energy: 0.519586311055229
Energy: 0.510761431722798
Energy: 0.5188548835172375
Energy: 0.5013481560510537
Energy: 0.5040033248211117
Energy: 0.5211445756004708
Energy: 0.5119407517426023
Energy: 0.5089833946851237
Energy: 0.5028466448725791
Energy: 0.505339134331944
Energy: 0.5076575774370747
Energy: 0.5034663331106601
Energy: 0.505495456017097
Energy: 0.5041909442177289
Energy: 0.5148434082653981
Energy: 0.5075499575604945
Energy: 0.505761596524322
Energy: 0.5068415289286873
Energy: 0.5041283838050596
Energy: 0.5112113189912089
Energy: 0.5075492760365768
Energy: 0.5083301056565321
Energy: 0.5123722463423549
Energy: 0.5239049303909694
Energy: 0.5082306628719077
Energy: 0.5083748771199603
Energy: 0.5085268676070129
Energy: 0.5142968342939023
Energy: 0.5210637482673052
Energy: 0.5080094814599497
Energy: 0.5022555535953434
Energy: 0.5100162816427867
Energy: 0.5195482456912587
Energy: 0.5076034160146785
Energy: 0.5135497366088846
Energy: 0.5017931572340331
Energy: 0.5099621185641248
Energy: 0.49969608585623126
Energy: 0.5082179078849265
Energy: 0.5128539187928899

minimum gb energy = 0.49961320882383903 eV
minimum distance =  2.65580394166583 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.8966206356612842
Energy: 0.5872443720949972
Energy: 0.5321573888642032
Energy: 0.5148439114624527
Energy: 0.5485011213910573
Energy: 0.5663783737923582
Energy: 0.5940546598598487
Energy: 0.5203661325639622
Energy: 0.5072638727829053
Energy: 0.5584447789479006
Energy: 0.49679536245654554
Energy: 0.5462548927532984
Energy: 0.5212026397019088
Energy: 0.5275120493001673
Energy: 0.5390331164168248
Energy: 0.4988773892307059
Energy: 0.5203028397088014
Energy: 0.5221080273177762
Energy: 0.5390568415555252
Energy: 0.5198931509407069
Energy: 0.5613581786872003
Energy: 0.5324189744254421
Energy: 0.506898836851749
Energy: 0.533727677184633
Energy: 0.5374520422536304
Energy: 0.5417720115941057
Energy: 0.5241185597043884
Energy: 0.5333648161046948
Energy: 0.5196611853016581
Energy: 0.5357236304978218
Energy: 0.5208153882972486
Energy: 0.5134483298012081
Energy: 0.5258815781291908
Energy: 0.5926223881972511
Energy: 0.5883758505953833
Energy: 0.5293466957506457
Energy: 0.5404928084996995
Energy: 0.5259762566678452
Energy: 0.5820772819403899
Energy: 0.5354739094225841
Energy: 0.5551076423519042
Energy: 0.5502996324757703
Energy: 0.5379550262963577
Energy: 0.5126093474722515
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Energy: 0.5412763630030534
Energy: 0.5496602620380115
Energy: 0.5271851002082787
Energy: 0.5146388565706274
Energy: 0.5570030817563468
Energy: 0.5192212296319296
Energy: 0.5108199988453307
Energy: 0.5152539012379587
Energy: 0.5607468904081782
Energy: 0.6203391851492065
Energy: 0.5117682202562551
Energy: 0.5089603869572923
Energy: 0.5188927585883342
Energy: 0.567703736187481
Energy: 0.5170209654529702
Energy: 0.507849386728662
Energy: 0.5115981867365685
Energy: 0.518987223649614
Energy: 0.5178229746803074
Energy: 0.5311348718989141
Energy: 0.5082968464494411
Energy: 0.5096764912502766
Energy: 0.5231099216908395
Energy: 0.519937163312445
Energy: 0.5504435779442499
Energy: 0.5204254743094816
Energy: 0.5133028319610906
Energy: 0.5107848454167622
Energy: 0.5211066471655729
Energy: 0.5734309762880511
Energy: 0.527966199438517
Energy: 0.5096722343931619
Energy: 0.5101452560181029
Energy: 0.5218452556284621
Energy: 0.5550968025056247
Energy: 0.5146923995105849
Energy: 0.6211356525885716
Energy: 0.5460186314090676
Energy: 0.5376818950217339
Energy: 0.5366101344942487
Energy: 0.5152623356783292
Energy: 0.620137361666129
Energy: 0.562564577585173
Energy: 0.521903530658045
Energy: 0.5243285071077393
Energy: 0.5406010758359251
Energy: 0.535014814749468
Energy: 0.5145755912272371
Energy: 0.5183622606549566
Energy: 0.5357295268513736
Energy: 0.5239884404646838
Energy: 0.5254185391039341
Energy: 0.5172226931459443
Energy: 0.525165430935766
Energy: 0.540363844539174
Energy: 0.529743540059378
Energy: 0.5310817692856517
Energy: 0.5325460859662804
Energy: 0.5178108368699941
Energy: 0.5166750242562166
Energy: 0.5266145464453288
Energy: 0.5383731880809596
Energy: 0.5105660706384452
Energy: 0.5190602472052098
Energy: 0.5230363497247592
Energy: 0.5949856554880547
Energy: 0.5388675726116923
Energy: 0.5313509005024228
Energy: 0.5085538479561861
Energy: 0.5467590836752261
Energy: 0.5773793326930815
Energy: 0.5408769172151741
Energy: 0.50267404449289
Energy: 0.5042921991980306
Energy: 0.5469063252745037
Energy: 0.5433709152293078
Energy: 0.5146009424090667
Energy: 0.5617879172033255
Energy: 0.5610069985316101
Energy: 0.5322879194257863
Energy: 0.547630394817773
Energy: 0.5391127297370111
Energy: 0.5623212546832556
Energy: 0.5605814560506054
Energy: 0.5256650087685087
Energy: 0.5387892209035058
Energy: 0.5385262948396617
Energy: 0.5048547848071948
Energy: 0.5445707255932964
Energy: 0.5211653483053529
Energy: 0.5287432891527629
Energy: 0.5473308391426313
Energy: 0.49851205559595874
Energy: 0.5330579675128475
Energy: 0.5133603938569693
Energy: 0.5232621177199648
Energy: 0.5263376071827173
Energy: 0.549865185567442
Energy: 0.5088494147612562
Energy: 0.5397905487449569
Energy: 0.5325302495274586
Energy: 0.5317589163843526
Energy: 0.5880124915156857
Energy: 0.510681663631066
Energy: 0.5455501974125994
Energy: 0.5413772168225105
Energy: 0.5818433541511571
Energy: 0.5295474764280477
Energy: 0.5289907245484141
Energy: 0.5264743515359156
Energy: 0.5989614262627613
Energy: 0.5856917673405195
Energy: 0.5318691361617328
Energy: 0.5338490546370709
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Energy: 0.5233404851204277
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Energy: 0.5190364836775969
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Energy: 0.5206997054454552
Energy: 0.5172944280102802
Energy: 0.5401392877606807
Energy: 0.5369272829538296
Energy: 0.5391390018939612
Energy: 0.5157865592537328
Energy: 0.5172770312642017
Energy: 0.5206737313050217
Energy: 0.5338651052684287
Energy: 0.5302031231438662
Energy: 0.5170687268369546
Energy: 0.5169179680233068
Energy: 0.5167084598195051
Energy: 0.5395693772083389
Energy: 0.5533295722506221
Energy: 0.5072966430079975
Energy: 0.5016674038942077
Energy: 0.5480559112690468
Energy: 0.5805819530468344
Energy: 0.5566983452609627
Energy: 0.5077031005425607
Energy: 0.5109458395189772
Energy: 0.5414019276632699
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Energy: 0.5428895534382115
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Energy: 0.533652888975954
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Energy: 0.5152881563972481
Energy: 0.5210951621416189
Energy: 0.5357601493598545
Energy: 0.5324677591009298
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Energy: 0.5073742343908114
Energy: 0.5354020138317408
Energy: 0.5176094991899041
Energy: 0.5261800142503918
Energy: 0.5501300978337572
Energy: 0.5249654773053289
Energy: 0.5464754757133928
Energy: 0.5417319809744987
Energy: 0.5818022018612271
Energy: 0.5346151713308955
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Energy: 0.5159884863571855
Energy: 0.5403788370939409
Energy: 0.5770521263790261
Energy: 0.5704464364192601
Energy: 0.5840007151435032
Energy: 0.5056214552384238
Energy: 0.5866222703597233
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Energy: 0.5330180545571267
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Energy: 0.5418634014208216
Energy: 0.5562278784858584
Energy: 0.5199051922797179
Energy: 0.5358654748450377
Energy: 0.5297419039674204
Energy: 0.6114308557538757
Energy: 0.5361952322692825
Energy: 0.5097303429550175
Energy: 0.5504632294976906
Energy: 0.5185688294653837
Energy: 0.6102471363152162
Energy: 0.5119265609079984
Energy: 0.5092360386508155
Energy: 0.5262405796286956
Energy: 0.5800335474841586
Energy: 0.5176946450954724
Energy: 0.5123459041609176
Energy: 0.5117772717691538
Energy: 0.5265516838627746
Energy: 0.5553962206832924
Energy: 0.5108671870200205
Energy: 0.5110687524622801
Energy: 0.51932791536068
Energy: 0.5101088082843007
Energy: 0.5391161900708097
Energy: 0.547526670300004
Energy: 0.5165642530162213
Energy: 0.5134739879809006
Energy: 0.5130890012318844
Energy: 0.5413977066577532
Energy: 0.5251726220188856
Energy: 0.5175423059502111
Energy: 0.5132617196712456
Energy: 0.5518072078090626
Energy: 0.5112909136800307
Energy: 0.5220445806746861
Energy: 0.5268851189012772
Energy: 0.5423041523087015
Energy: 0.5405169001767349
Energy: 0.5196219364016396
Energy: 0.5146831806322619
Energy: 0.5350055975813754
Energy: 0.5433890260583037
Energy: 0.5100450839935665
Energy: 0.5106687075577325
Energy: 0.5396207757138932
Energy: 0.6177135346729176
Energy: 0.49906462726959994
Energy: 0.5000905460065026
Energy: 0.503765938411652
Energy: 0.5490365747568701
Energy: 0.6193263029326401
Energy: 0.4990799146457266
Energy: 0.5127701657098358
Energy: 0.5139575154416088
Energy: 0.5318629874984053
Energy: 0.5339581253439658
Energy: 0.5241221207835639
Energy: 0.5166567958755431
Energy: 0.5172466765541391
Energy: 0.5439258533399199
Energy: 0.5240967965649834
Energy: 0.5426355682809706
Energy: 0.5101833774443136
Energy: 0.5041506775250018
Energy: 0.5738597166191202
Energy: 0.5784744722354315
Energy: 0.5339441060437676
Energy: 0.49928572137603944
Energy: 0.5227926971208814
Energy: 0.5742792143433405
Energy: 0.5678639054430485
Energy: 0.5442421280021834
Energy: 0.5186299147529932
Energy: 0.5436323888968116
Energy: 0.5479095728192495
Energy: 0.5223010949616426
Energy: 0.5158892510332657
Energy: 0.5210690048229569
Energy: 0.5314979444429622
Energy: 0.5219118004827447
Energy: 0.5365719084164874
Energy: 0.5145281844863924

minimum gb energy = 0.4953890619088378 eV
minimum distance =  2.6653254682046 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.6967698298190148
Energy: 0.524686824470641
Energy: 0.5159633149522201
Energy: 0.5141783132989168
Energy: 0.5440044463649442
Energy: 0.4900532695352201
Energy: 0.5159018838127462
Energy: 0.515411158321338
Energy: 0.5107651529012979
Energy: 0.48494045627278687
Energy: 0.4956269366914581
Energy: 0.5113518672578022
Energy: 0.5526716958239124
Energy: 0.5658926076504798
Energy: 0.5101705214351905
Energy: 0.48798960918325157
Energy: 0.5102094333112411
Energy: 0.5540452217826322
Energy: 0.5240927272163454
Energy: 0.48842635749671626
Energy: 0.5372520732720727
Energy: 0.5273213337596696
Energy: 0.5532822488520363
Energy: 0.5065213603929032
Energy: 0.5212195400199218
Energy: 0.5379085053315877
Energy: 0.5593079482682858
Energy: 0.553617702736991
Energy: 0.5056036638806843
Energy: 0.5395125633059152
Energy: 0.505855252947393
Energy: 0.492274213665283
Energy: 0.5332763096208306
Energy: 0.5378482564161332
Energy: 0.5352145968706888
Energy: 0.506345074838567
Energy: 0.49248578479776767
Energy: 0.5506170003331617
Energy: 0.5458335101387403
Energy: 0.5419451709501338
Energy: 0.5339761470641794
Energy: 0.5134496908392181
Energy: 0.4891005956586903
Energy: 0.4928268486640339
Energy: 0.4971547259505304
Energy: 0.5336201668795724
Energy: 0.5145034817985499
Energy: 0.48819222508274673
Energy: 0.4917442341880411
Energy: 0.4917494456024593
Energy: 0.4852164932126392
Energy: 0.49483511504456057
Energy: 0.4861750008621827
Energy: 0.5097729486652172
Energy: 0.489418369855866
Energy: 0.4847025401074061
Energy: 0.4955740842955386
Energy: 0.5205417077631087
Energy: 0.5099898585059969
Energy: 0.48655185268373063
Energy: 0.5321744842295317
Energy: 0.5184143905018612
Energy: 0.5218914027064026
Energy: 0.5091198034002963
Energy: 0.4931370504628394
Energy: 0.5326597873282424
Energy: 0.518761437870003
Energy: 0.521584193430885
Energy: 0.5108943401110643
Energy: 0.49217657775328294
Energy: 0.5325729671219807
Energy: 0.49166867155221133
Energy: 0.5127722698042281
Energy: 0.5250154746249128
Energy: 0.5237527405731438
Energy: 0.532957270855353
Energy: 0.4910329915074466
Energy: 0.5101649685205633
Energy: 0.5249967122123324
Energy: 0.5229497331838712
Energy: 0.49218656841861275
Energy: 0.553020289291797
Energy: 0.4929812721137589
Energy: 0.5617854891820007
Energy: 0.5049433858630817
Energy: 0.4910478596260084
Energy: 0.5523079320735682
Energy: 0.5109884209895497
Energy: 0.5625832220387992
Energy: 0.5042619069610769
Energy: 0.5306776886737263
Energy: 0.4890083263793132
Energy: 0.48968183642973573
Energy: 0.49120018932719994
Energy: 0.5345603695992747
Energy: 0.5103133006992875
Energy: 0.49414225362384817
Energy: 0.4895575189090285
Energy: 0.4918361633311802
Energy: 0.5337623783015253
Energy: 0.49299621227654417
Energy: 0.4875197615917923
Energy: 0.5418725236635052
Energy: 0.4928738778882055
Energy: 0.4923974165674041
Energy: 0.48906237911246103
Energy: 0.49713430698584693
Energy: 0.54206171643069
Energy: 0.49174723217869587
Energy: 0.486699294572447
Energy: 0.4896495223360699
Energy: 0.486761113929908
Energy: 0.4919432439992614
Energy: 0.5324750381920624
Energy: 0.48724917344392393
Energy: 0.4859582620562713
Energy: 0.486937539891188
Energy: 0.4938130314660236
Energy: 0.5115045192154788
Energy: 0.49157569230823706
Energy: 0.48449861152179746
Energy: 0.48662144117730594
Energy: 0.5247581787244048
Energy: 0.5250061052677042
Energy: 0.4888640384860101
Energy: 0.48562091281528996
Energy: 0.4868396605043455
Energy: 0.5251911628596923
Energy: 0.5236584036265963
Energy: 0.4864402409967105
Energy: 0.5416851149844529
Energy: 0.49435576854379815
Energy: 0.5414799472659827
Energy: 0.4888537301836632
Energy: 0.4868825138755093
Energy: 0.5805876883328085
Energy: 0.494361084621485
Energy: 0.5422782691366023
Energy: 0.4907161319369965
Energy: 0.48446463250743743

minimum gb energy = 0.48446463250743743 eV
minimum distance =  2.66732596709707 Angstroms
sigma value = 33