Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
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=4.05616620182991
cohesive_energy=3.8004338183679356
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=[9.864152926080479e-20, 1.60919416765692e-19, 2.1455868829537798e-19, 2.62225045333512e-19, 3.0444560399267994e-19, 3.4232746832697596e-19, 3.7646344369097997e-19, 4.07279709069336e-19, 4.35107915025282e-19, 4.60212420703428e-19, 4.828127243026319e-19, 5.0309948484234e-19, 5.212681678718999e-19, 5.37552691179876e-19, 5.52092444133426e-19, 5.64786489604608e-19, 5.7564604282986e-19, 5.848056866464379e-19, 5.923759712420879e-19, 5.98441811978412e-19, 6.030672959207699e-19, 6.063101014279859e-19, 6.082214981523479e-19, 6.088479492162419e-19, 6.0816702414679195e-19, 6.05944805155434e-19, 6.01880083034976e-19, 5.95607561512866e-19, 5.866930507212899e-19, 5.74609434547662e-19, 5.58730261928088e-19, 5.382864880782479e-19, 5.122527199523819e-19, 4.79352022773192e-19, 4.38062328738378e-19, 3.8649146724318597e-19, 3.2221374286373996e-19, 2.42119330753446e-19, 1.4218788908460778e-19, 1.7219553591578398e-20, -1.39558396792887e-19, -3.3773563009393196e-19, -5.902659046151099e-19, -9.14717888236548e-19, -1.3360358689729918e-18, -1.8903281016249e-18, -2.6316552301766996e-18, -3.641891684979059e-18, -5.0515187311049395e-18, -7.07939369675874e-18, -1.010545674892722e-17, -1.484269251150672e-17, -2.2754112556068e-17, -3.7211353412966994e-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: -6.54468460673089e-28 eV

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

Energy: 0.013171169567558691
Energy: 0.01604567124192972
Energy: 0.07656670384969802
Energy: 0.07642547706197918
Energy: 0.015563878484244916
Energy: 0.014219288631062981
Energy: 0.07562450961623327
Energy: 0.07683361552158746
Energy: 0.07612774899375906
Energy: 0.015077765055378355
Energy: 0.018024816204527536
Energy: 0.0768832047449867
Energy: 0.07590326983650683
Energy: 0.07610007714462036
Energy: 0.07699045596229803
Energy: 0.07556962742336523
Energy: 0.07669212306532125
Energy: 0.07492623101808853
Energy: 0.07597431195285556
Energy: 0.0764965635629511
Energy: 0.07713423877897271
Energy: 0.015725489632965998
Energy: 0.013451101356768212
Energy: 0.07530380542562821
Energy: 0.07566878279185581
Energy: 0.0768876578034515
Energy: 0.015013240932031453
Energy: 0.0135630042030962
Energy: 0.07508027610119121
Energy: 0.07616887440530255
Energy: 0.0757450555378796
Energy: 0.01417224303846438
Energy: 0.014109252583694172
Energy: 0.07624127945730783
Energy: 0.07533101234243358
Energy: 0.07642543414403957
Energy: 0.014328268832726183
Energy: 0.013712396333915583
Energy: 0.0753778209992982
Energy: 0.07515686658744011
Energy: 0.07555989419072338
Energy: 0.07594040107836622
Energy: 0.07747812359482514
Energy: 0.01448251368230483
Energy: 0.01397644477787424
Energy: 0.07514764248241103
Energy: 0.0762970369309414
Energy: 0.07698671424010697
Energy: 0.015006873264234557
Energy: 0.07485700173422655
Energy: 0.07697971447170888
Energy: 0.0751108062111963
Energy: 0.07588856547178989
Energy: 0.014122540537490427
Energy: 0.016613370294758623
Energy: 0.07652551861515079
Energy: 0.0749933770438367
Energy: 0.07634565015025462
Energy: 0.014492033848244828
Energy: 0.017300400419692937
Energy: 0.017318107245408398
Energy: 0.07714495639820729
Energy: 0.07551291427186681
Energy: 0.07670703289115341
Energy: 0.07759934404954487
Energy: 0.01712513738586348
Energy: 0.0774461952436735
Energy: 0.07547693166752303
Energy: 0.07643813258463154
Energy: 0.07707444007696854

minimum gb energy = 0.013171169567558691 eV
minimum distance =  2.8299878691847 Angstroms
sigma value = 3


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

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Energy: 0.6025606030444283
Energy: 0.588629837568746
Energy: 0.5802113961825552
Energy: 0.6046514598148358
Energy: 0.624181044477119
Energy: 0.578992210293475
Energy: 0.5773636323557534
Energy: 0.5806341111903497
Energy: 0.6063284756707198
Energy: 0.5915958495304816
Energy: 0.6494943008098447
Energy: 0.5797903149986325
Energy: 0.5266634653065942
Energy: 0.519820508570584
Energy: 0.5167179352625897
Energy: 0.5973149786379137
Energy: 0.5784711470473815
Energy: 0.5452496237195119
Energy: 0.5954237291479987
Energy: 0.5633031677045348
Energy: 0.6361513812999021
Energy: 0.5454928271368459
Energy: 0.5692303336079062
Energy: 0.5947419085442988
Energy: 0.5139674952251618
Energy: 0.6351702857968536
Energy: 0.5424159166872622
Energy: 0.5852380482056878
Energy: 0.5889684081704804
Energy: 0.5887345111287994
Energy: 0.5830970870705163
Energy: 0.6275929658663727
Energy: 0.5163056953667062
Energy: 0.5714618126753659
Energy: 0.5145153344987584
Energy: 0.5922793508675809
Energy: 0.641130726894199
Energy: 0.5834338077532608
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Energy: 0.6035338028811044
Energy: 0.6272272465148568
Energy: 0.5802799333617715
Energy: 0.5300974951551752
Energy: 0.6210246981904122
Energy: 0.6026514095975571
Energy: 0.6407300488773815
Energy: 0.6387983969684239
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Energy: 0.6213965377910482
Energy: 0.6493636504068504
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Energy: 0.5500986686443236
Energy: 0.6415328110248849
Energy: 0.6067614801834523
Energy: 0.649250012407824
Energy: 0.641484685490263
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Energy: 0.6975569833928835
Energy: 0.6373263428126269
Energy: 0.5509689475794348
Energy: 0.6239185082244925
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Energy: 0.6249467836398823
Energy: 0.6193549741648603
Energy: 0.6148718201020649
Energy: 0.6165442837722578
Energy: 0.6226506142570606
Energy: 0.6156130188905409
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Energy: 0.6135559222521738
Energy: 0.6324038117053468
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Energy: 0.6228485402878935
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Energy: 0.5545293151555203
Energy: 0.6336112049422102
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Energy: 0.4871193389500613
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Energy: 0.48689181402425047
Energy: 0.6218734535724202
Energy: 0.6142683475913961
Energy: 0.5312226662186336
Energy: 0.7233676619702718
Energy: 0.6204671369972009
Energy: 0.6234417123081106
Energy: 0.6210194051006568
Energy: 0.6141552542698707
Energy: 0.6224879469686334
Energy: 0.6104199670733748
Energy: 0.6219264697272704
Energy: 0.6260335850162879
Energy: 0.6310948608040313
Energy: 0.5266012666480299
Energy: 0.6431420087367582
Energy: 0.6194346872730752
Energy: 0.5596601826015841
Energy: 0.4856239903916564
Energy: 0.48341659345525656
Energy: 0.665128830793364
Energy: 0.6154963744626254
Energy: 0.5776045103906546
Energy: 0.5232330198221297
Energy: 0.5613366406106258
Energy: 0.6943202008735314
Energy: 0.5438863036313225
Energy: 0.5901552957777093
Energy: 0.48378625858749685
Energy: 0.5003239118567132
Energy: 0.6873966300233476
Energy: 0.548123785946708
Energy: 0.5726778324344084
Energy: 0.5482053183800195
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Energy: 0.5528649324279816
Energy: 0.6393572716358289
Energy: 0.496139063289724
Energy: 0.5271392828750813
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Energy: 0.5486965412453793
Energy: 0.6061655014864722
Energy: 0.550866685703085
Energy: 0.5384240673225518
Energy: 0.5722031130027171
Energy: 0.5954301126137712
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Energy: 0.5937852881240042
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Energy: 0.5182752469067117
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Energy: 0.6240554816926476
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Energy: 0.597599092657518
Energy: 0.6287552479074432
Energy: 0.619383633310274
Energy: 0.5971110615112892
Energy: 0.5873930179839139
Energy: 0.5523784188595184
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Energy: 0.6161646655237
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Energy: 0.6543241285254048
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Energy: 0.6166430457913795
Energy: 0.6482054711420419
Energy: 0.5744307599849379
Energy: 0.6178133265419398
Energy: 0.6151775786126799
Energy: 0.6142863320570129
Energy: 0.6563807801849971
Energy: 0.5721429373536159
Energy: 0.6217516852204993
Energy: 0.6284740248438366
Energy: 0.5673720050190945
Energy: 0.5317487072019341
Energy: 0.5142899761395339
Energy: 0.6556936612581169
Energy: 0.623966683852162
Energy: 0.5653595151501397
Energy: 0.5317373180427142
Energy: 0.5878511707074284
Energy: 0.6204431671110762
Energy: 0.5856055122773725
Energy: 0.5875847683085038
Energy: 0.5475053986449795
Energy: 0.5682612630717446
Energy: 0.6331228452975114
Energy: 0.5806898143561955
Energy: 0.5879117401666293
Energy: 0.5472535537057944
Energy: 0.5689273044545667
Energy: 0.5807529278255166
Energy: 0.6254494931275605
Energy: 0.5523663611539268
Energy: 0.5540179319227791
Energy: 0.5463673509444117
Energy: 0.5436764945682082
Energy: 0.5653801953935121
Energy: 0.5602579014508319
Energy: 0.5557184120435328
Energy: 0.5472216688934037
Energy: 0.5509519337686372
Energy: 0.6298573152720072
Energy: 0.5481789283949341
Energy: 0.5723959090327478
Energy: 0.5515596413089127
Energy: 0.5790854487561947
Energy: 0.5563499294742971
Energy: 0.5174871491291083
Energy: 0.5252661368140049
Energy: 0.5503485474079818
Energy: 0.628633615188081
Energy: 0.673636361091379
Energy: 0.5919329701011963
Energy: 0.64321584878021
Energy: 0.6263757862516592
Energy: 0.6173589629192687
Energy: 0.5981384105292642
Energy: 0.5983104180713399
Energy: 0.5835923685867647
Energy: 0.6271841613158413
Energy: 0.6226757808129286
Energy: 0.5697400990551561
Energy: 0.5912596626108535
Energy: 0.5847213478270272
Energy: 0.5774275634897703
Energy: 0.5215350609031828
Energy: 0.5162655274695305
Energy: 0.5214596518392058
Energy: 0.59047380343323
Energy: 0.6340999375781584
Energy: 0.6462167048530494
Energy: 0.54187750177003
Energy: 0.5790694642008198
Energy: 0.6056313751980771
Energy: 0.5779835539696279
Energy: 0.5898630025975977
Energy: 0.6243681294674738
Energy: 0.5791796739066932
Energy: 0.5775278881222364
Energy: 0.5779041724714559
Energy: 0.6325535207311387

minimum gb energy = 0.48341659345525656 eV
minimum distance =  2.61672533999107 Angstroms
sigma value = 75


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

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Energy: 0.5969154857615171
Energy: 0.5825133764577193
Energy: 0.5719233332258653
Energy: 0.5417044003521733
Energy: 0.5401282050799907
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Energy: 0.5896525623959518
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Energy: 0.6069835862990539
Energy: 0.5725691060547996
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Energy: 0.576722505333046
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Energy: 0.6063434144997099
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Energy: 0.6001840545923649
Energy: 0.573735507201344
Energy: 0.5716176499375142
Energy: 0.5785007330604702
Energy: 0.5861161149645263
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Energy: 0.5722714021079481
Energy: 0.6034241260539995
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Energy: 0.6013952811274669
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Energy: 0.5460900140872859
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Energy: 0.578197974235845
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Energy: 0.5471833926515465
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Energy: 0.5820092006151841
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minimum gb energy = 0.5359598630083013 eV
minimum distance =  2.60442222152089 Angstroms
sigma value = 105


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

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Energy: 0.5727062054859757
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Energy: 0.6030668608264109
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Energy: 0.5805062405095646
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Energy: 0.5799407405847458
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Energy: 0.5939486465368086
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Energy: 0.5774912940983942
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Energy: 0.6214000038228416
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Energy: 0.5733886387115251
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Energy: 0.5780484781621866
Energy: 0.5898657568925659
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Energy: 0.5704415954593969
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Energy: 0.5783399497701213
Energy: 0.5684209455820014
Energy: 0.6046592091028922
Energy: 0.6075826291438824
Energy: 0.5948400816831514
Energy: 0.5752597423644213
Energy: 0.5793862206057105
Energy: 0.5793823301543273
Energy: 0.6071007732953766
Energy: 0.5870285179785159
Energy: 0.5747948849661473
Energy: 0.5748794992521729
Energy: 0.6025311969127766
Energy: 0.5758317953399037
Energy: 0.5769011658901217
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Energy: 0.5760844735770054
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Energy: 0.581753013002219
Energy: 0.5999119126354341
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Energy: 0.575574883578108
Energy: 0.5757545965515231
Energy: 0.5901174727117853
Energy: 0.5933030646775425
Energy: 0.568171967691924
Energy: 0.5964859017035424
Energy: 0.585271665222276
Energy: 0.600282095042988
Energy: 0.5942168169329978
Energy: 0.5715970831073761
Energy: 0.6065530938497169
Energy: 0.5775427701163597
Energy: 0.6001588205133842
Energy: 0.5941681243031448
Energy: 0.5762925683215241
Energy: 0.587803940478999
Energy: 0.6237627691830626
Energy: 0.5898543731981007
Energy: 0.5765010557644831
Energy: 0.5680830667660258
Energy: 0.58657509321379
Energy: 0.6126063696790311
Energy: 0.5902167005449243
Energy: 0.5766688878541846
Energy: 0.5745311504431055
Energy: 0.5777033066133149
Energy: 0.6038706023576471
Energy: 0.6039817143335301
Energy: 0.5755016142771633
Energy: 0.566954602940873
Energy: 0.5868534296158623
Energy: 0.6030269704879612
Energy: 0.598492658364124
Energy: 0.6066234641630903
Energy: 0.5728224226009758
Energy: 0.6071581662149532
Energy: 0.5755489609877479
Energy: 0.574088460732296
Energy: 0.582978467328612
Energy: 0.5713347843911792
Energy: 0.6023129625365737
Energy: 0.5761004762163524
Energy: 0.5744090123878502
Energy: 0.5756102280485229
Energy: 0.5926246170139365
Energy: 0.5872113163473105
Energy: 0.5737004553129363
Energy: 0.5682223765364297
Energy: 0.6192387999387226
Energy: 0.5902567480825521
Energy: 0.5729995335141843
Energy: 0.5747821828688693
Energy: 0.5761226210313771
Energy: 0.6168576075393539
Energy: 0.5921534149945014
Energy: 0.5692455641096986
Energy: 0.5858623026456248
Energy: 0.5697100622633364
Energy: 0.6236324400591559
Energy: 0.596593229323876
Energy: 0.5685666524158723
Energy: 0.5947609464058699
Energy: 0.569579885672129
Energy: 0.6260456289924333
Energy: 0.5800515727148431
Energy: 0.5803801655143227
Energy: 0.5869197508324934
Energy: 0.622159040990805
Energy: 0.5683787187109074
Energy: 0.5706861487459329
Energy: 0.5796983285929688
Energy: 0.5831980680791182
Energy: 0.6141760969920541
Energy: 0.5675366041271256
Energy: 0.5840854953812772
Energy: 0.5707137313941307
Energy: 0.5804783256739919
Energy: 0.5732139483984295
Energy: 0.5898987064644192
Energy: 0.6000116295281476
Energy: 0.5705489807205025
Energy: 0.5717135233103383
Energy: 0.5735452863826435
Energy: 0.5968202160539551

minimum gb energy = 0.5667859384016387 eV
minimum distance =  2.62044458424436 Angstroms
sigma value = 165


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

Energy: 0.7533330771192714
Energy: 0.5655967131891
Energy: 0.5758937503122417
Energy: 0.5785245085568402
Energy: 0.5433745976129577
Energy: 0.7187022676971769
Energy: 0.5769410430556408
Energy: 0.5885718805829543
Energy: 0.583862698443093
Energy: 0.5655212924567306
Energy: 0.5678348745626949
Energy: 0.5970832758367507
Energy: 0.5785114599785554
Energy: 0.5697372886829549
Energy: 0.5581108411304112
Energy: 0.5684456594160202
Energy: 0.5581547790948503
Energy: 0.5798655149382422
Energy: 0.5772572586455086
Energy: 0.6158150971018536
Energy: 0.5749781174557422
Energy: 0.5768071548036807
Energy: 0.5805040800134955
Energy: 0.5803448755305743
Energy: 0.5565212038041344
Energy: 0.5542459100856079
Energy: 0.5688918038962772
Energy: 0.580171332005509
Energy: 0.5788778285372668
Energy: 0.5828493146283977
Energy: 0.589248157049015
Energy: 0.5874233036460915
Energy: 0.5796776559243945
Energy: 0.5807014201273553
Energy: 0.5732612127668675
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Energy: 0.5779002834804791
Energy: 0.5677163320465966
Energy: 0.5601981004730622
Energy: 0.5774477226530441
Energy: 0.6079096667369107
Energy: 0.5696850772065295
Energy: 0.579595155844894
Energy: 0.5808743564769219
Energy: 0.556768942474547
Energy: 0.5749287555582813
Energy: 0.5585170170010819
Energy: 0.5748795113224653
Energy: 0.5776042224961054
Energy: 0.5853829781943263
Energy: 0.5929636619713838
Energy: 0.6035888211468905
Energy: 0.6023615469411978
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Energy: 0.5665579992795444
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Energy: 0.5949912694224473
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Energy: 0.5661274320524419
Energy: 0.5842838471594219
Energy: 0.5892247813076925
Energy: 0.5440530820166841
Energy: 0.5453216233271456
Energy: 0.594492956756079
Energy: 0.5946693214765257
Energy: 0.584658477650915
Energy: 0.5528614387392959
Energy: 0.544220643940133
Energy: 0.5573224349220366
Energy: 0.5995823918988503
Energy: 0.5802442539770936
Energy: 0.5417838725110622
Energy: 0.5760076118668456
Energy: 0.566180087634791
Energy: 0.5833349049790353
Energy: 0.586125683894247
Energy: 0.5671672995672927
Energy: 0.5749559907264223
Energy: 0.5953309861273194
Energy: 0.579969313507397
Energy: 0.582672224428176
Energy: 0.591570209888466
Energy: 0.5792407939444945
Energy: 0.5820617296291313
Energy: 0.5757095731399936
Energy: 0.6048057065888242
Energy: 0.5751086604863059
Energy: 0.5771931211195168
Energy: 0.5977370024550906
Energy: 0.581074537357094
Energy: 0.5991808019385346
Energy: 0.573770863809212
Energy: 0.6041340985204016
Energy: 0.6126280307862406
Energy: 0.5765192982385522
Energy: 0.5760520252257514
Energy: 0.5915543380915251
Energy: 0.5799785359496625
Energy: 0.5635368628671346
Energy: 0.5817493696519193
Energy: 0.5804637291241349
Energy: 0.5875029325545722
Energy: 0.5700184366281934
Energy: 0.557478251607752
Energy: 0.5522347730765582
Energy: 0.5568348113333194
Energy: 0.5841297349587692
Energy: 0.5942608550376911
Energy: 0.5567557733878079
Energy: 0.5811550942623992
Energy: 0.588891249858026
Energy: 0.5852421557689002
Energy: 0.5758441745880454
Energy: 0.5710714458566539
Energy: 0.5853575358203374
Energy: 0.5738465257284247
Energy: 0.5521409621564634
Energy: 0.5595565705739046
Energy: 0.5706182657655563
Energy: 0.5943280791580148
Energy: 0.574268942207414
Energy: 0.5821747608886151
Energy: 0.5677617419546053
Energy: 0.579093680422506
Energy: 0.5891871501553205
Energy: 0.5972221427169871
Energy: 0.5658399116348685
Energy: 0.5692074685961288
Energy: 0.5534732513996818
Energy: 0.5851744239514408
Energy: 0.5909616566677162
Energy: 0.5978228756753055

minimum gb energy = 0.5417838725110622 eV
minimum distance =  2.65567393567289 Angstroms
sigma value = 41


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

Energy: 0.7407341355608955
Energy: 0.5086503979523463
Energy: 0.5167714676309284
Energy: 0.5135987394513511
Energy: 0.4937062565250113
Energy: 0.4899580720448641
Energy: 0.5180083445382858
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Energy: 0.5239710761089711
Energy: 0.5215021405255438
Energy: 0.5049028281663943
Energy: 0.5095723480451627
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Energy: 0.512927143245747
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Energy: 0.5193638751681452
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Energy: 0.5188332141631787
Energy: 0.5005080626904199
Energy: 0.5136663025233007
Energy: 0.5194112688736081
Energy: 0.4906335176685644
Energy: 0.519036382351941
Energy: 0.5216840460158704
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Energy: 0.5194767198881253
Energy: 0.5164488661723987
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Energy: 0.5140141867104507
Energy: 0.5061733852070543
Energy: 0.5870399543695404
Energy: 0.4971545968896427
Energy: 0.5393681424166179
Energy: 0.49816018589358263
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Energy: 0.5870191634852326
Energy: 0.5351151082760848
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Energy: 0.51293173964891
Energy: 0.5099781716059899
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Energy: 0.4981848205347153
Energy: 0.5075158905694591
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Energy: 0.506560454173273
Energy: 0.5250849353176943
Energy: 0.5255130012153697
Energy: 0.5427863941716342
Energy: 0.5258760545553207
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Energy: 0.5222920941269672
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Energy: 0.5096028321540214
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Energy: 0.5276939664366841
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Energy: 0.5047278020933975
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Energy: 0.5006976006464259
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Energy: 0.5036366686770805
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Energy: 0.5290478065511544
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Energy: 0.49699502401932494
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Energy: 0.5532424377464581
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Energy: 0.4966768128002675
Energy: 0.5203620527647391
Energy: 0.5123348089898035
Energy: 0.5017271405330643
Energy: 0.4987337614181939
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Energy: 0.49944444685351025
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Energy: 0.5227472732693974
Energy: 0.49998696755976735
Energy: 0.5067356590419696
Energy: 0.5420808567761791
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Energy: 0.5091256901841611
Energy: 0.5030418788924694
Energy: 0.526530315702307
Energy: 0.5102584341958298
Energy: 0.512405730734089
Energy: 0.5092434849117313
Energy: 0.5360211761156483
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Energy: 0.5264659505882968
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Energy: 0.5097214540279877
Energy: 0.5031170194933728
Energy: 0.5248798823913092
Energy: 0.509493718296216
Energy: 0.5229521524000705
Energy: 0.5130279189511289
Energy: 0.5030042587455844
Energy: 0.5183172967433411
Energy: 0.5356590489001348
Energy: 0.5085544927970648
Energy: 0.5073202816530623
Energy: 0.5131536471253909
Energy: 0.4964572317372201
Energy: 0.5001269237154868
Energy: 0.5112855818214521
Energy: 0.5095560960219028
Energy: 0.5091912953066899
Energy: 0.5123340426612696
Energy: 0.5569207260310162
Energy: 0.5336049899676958
Energy: 0.5039755806168162
Energy: 0.5277458095068477
Energy: 0.5135744257570625
Energy: 0.5166987194416175
Energy: 0.5233150873536107
Energy: 0.5165053637025598
Energy: 0.5294792655174252
Energy: 0.5134673277820441
Energy: 0.5356083516199488
Energy: 0.5183628050551471
Energy: 0.516988947490522
Energy: 0.49522051872064654
Energy: 0.49600359263673266
Energy: 0.5034985605684228
Energy: 0.5117627581772611
Energy: 0.513589240436623
Energy: 0.5189981185416469
Energy: 0.5191257296130964
Energy: 0.5145106082715747
Energy: 0.5325984072566212
Energy: 0.5147750786268389
Energy: 0.49266976739035023
Energy: 0.5969461118510905
Energy: 0.49131601541535286
Energy: 0.5532120055628366
Energy: 0.5041890743153555
Energy: 0.5121650904882007

minimum gb energy = 0.4874048036175186 eV
minimum distance =  2.68443478248828 Angstroms
sigma value = 185


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

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Energy: 0.328585629490676
Energy: 0.4640061523637289
Energy: 0.40905766916996644
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Energy: 0.1976317665179512
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Energy: 0.42744985223026477
Energy: 0.40719336447411425
Energy: 0.2504214600220374
Energy: 0.4276605451096674
Energy: 0.4765903031857041
Energy: 0.4196780555957576
Energy: 0.2173935809848922
Energy: 0.21836976941833366
Energy: 0.4110971178084092
Energy: 0.4517191175293631
Energy: 0.402180587412665
Energy: 0.2543359575867376
Energy: 0.2572417677927738
Energy: 0.43226499023839854
Energy: 0.4355987905626518
Energy: 0.42710973208169345
Energy: 0.4025757542288303
Energy: 0.4440582665121873
Energy: 0.42259332535490174
Energy: 0.41488489913285753
Energy: 0.40218585518575556
Energy: 0.39039771150746055
Energy: 0.42075475721918604
Energy: 0.3962285890534039
Energy: 0.43603576344006967
Energy: 0.41516843487260935
Energy: 0.33045356964507
Energy: 0.42868494576834537
Energy: 0.42672686600502463
Energy: 0.40633567827697337
Energy: 0.40591657674003745
Energy: 0.19773833788404108
Energy: 0.41352947198280815
Energy: 0.4031207239524801
Energy: 0.4721987340369679
Energy: 0.32661046083843487

minimum gb energy = 0.1976317665179512 eV
minimum distance =  2.69322074641172 Angstroms
sigma value = 33


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

Energy: 0.7914156049516832
Energy: 0.4525184273460899
Energy: 0.46931583117559755
Energy: 0.45041248754033864
Energy: 0.4332932161369788
Energy: 0.4320855249183653
Energy: 0.4383923742278254
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Energy: 0.44933269173435836
Energy: 0.4555280496386617
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Energy: 0.44986775116913386
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Energy: 0.47200411317793506
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Energy: 0.4661913024391748

minimum gb energy = 0.4290561105437844 eV
minimum distance =  2.63874118343205 Angstroms
sigma value = 219


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

Energy: 0.7973018501300744
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Energy: 0.5557362664752953
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Energy: 0.5541973223786695
Energy: 0.5762391133117315
Energy: 0.5562670640200064
Energy: 0.5542862203447771
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Energy: 0.5544473551629202
Energy: 0.5772438808354521
Energy: 0.5563125089642582
Energy: 0.5552461314821047
Energy: 0.5472394133050843
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Energy: 0.5480173191637554
Energy: 0.5559609938064006
Energy: 0.5760810386581635
Energy: 0.5754548194109423
Energy: 0.5550739995972555

minimum gb energy = 0.5470300380994058 eV
minimum distance =  2.63822284237491 Angstroms
sigma value = 15


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

Energy: 0.9471584211817774
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Energy: 0.6631248205840196
Energy: 0.6570968792182549
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Energy: 0.6397120476312438
Energy: 0.6413942429348621
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Energy: 0.68618693441477
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Energy: 0.6458760886125624
Energy: 0.6535665072794816
Energy: 0.6861757822757519
Energy: 0.6858114815357053
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minimum gb energy = 0.6349361012510472 eV
minimum distance =  2.59726350531696 Angstroms
sigma value = 293


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

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Energy: 0.6477678847346625
Energy: 0.6523565658923545
Energy: 0.6484539492360647
Energy: 0.677504422494775
Energy: 0.6500096438349567
Energy: 0.6390497396263762
Energy: 0.6385381898688614
Energy: 0.6497080860911539
Energy: 0.6775615322033671
Energy: 0.6452285020273821
Energy: 0.6448553512483007
Energy: 0.6528081196355302
Energy: 0.6634122919863594
Energy: 0.6642241596005085
Energy: 0.6452991839274096
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Energy: 0.6642789887894832
Energy: 0.663849346021381
Energy: 0.6635512001573916
Energy: 0.628014285389831
Energy: 0.6632723191369487
Energy: 0.6518341154988432
Energy: 0.6483678682507534
Energy: 0.633145054770578
Energy: 0.6347698162307592
Energy: 0.6634507258413607
Energy: 0.6515518934379825
Energy: 0.6489704961341726
Energy: 0.6329746227175266
Energy: 0.6504646152027952
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Energy: 0.6641384966620921
Energy: 0.6620004008922618
Energy: 0.6461489325969083
Energy: 0.6505717162398199
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Energy: 0.6444568873602498
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Energy: 0.6474547867202359
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Energy: 0.6789194323578083
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Energy: 0.6315275147870881
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Energy: 0.6555176368038667
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Energy: 0.6606103562664168
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Energy: 0.6653153746756618
Energy: 0.6566436554120528
Energy: 0.6443281914193604
Energy: 0.6548085598344213
Energy: 0.6505034920509282
Energy: 0.6620008554158906
Energy: 0.6605653046428318
Energy: 0.6595749990105048
Energy: 0.6546098906269546
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Energy: 0.6618060850316486
Energy: 0.6608901643648025
Energy: 0.6573001019311792
Energy: 0.668069348978519
Energy: 0.7179932528776661
Energy: 0.6651084919083188
Energy: 0.6487559516904091
Energy: 0.6608871470980052
Energy: 0.6486689003645335
Energy: 0.6320736192522284
Energy: 0.6511766262659221
Energy: 0.6493340598965727
Energy: 0.661641537995554
Energy: 0.6883738722168637
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Energy: 0.6850360342951752
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Energy: 0.644743824647739
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Energy: 0.641980027309148
Energy: 0.6856426649426646
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Energy: 0.6471246496393487
Energy: 0.6619797738389727
Energy: 0.6796310341728621
Energy: 0.6636579714793683
Energy: 0.649024558462562
Energy: 0.6638458459416493
Energy: 0.6825696098126329
Energy: 0.6804774306511242
Energy: 0.6470606677611
Energy: 0.6793000582203423
Energy: 0.653811339139779
Energy: 0.6686287311825405
Energy: 0.6760875377061905
Energy: 0.6507028877104657
Energy: 0.6516585422437298
Energy: 0.6476291889196091
Energy: 0.6688007480595314
Energy: 0.6724865091390065
Energy: 0.6480307999050195
Energy: 0.6532890325419071
Energy: 0.6503202950550502
Energy: 0.6444603596293008
Energy: 0.6303391755708458
Energy: 0.6557678890696141
Energy: 0.6571782229808306
Energy: 0.649076293050123
Energy: 0.6435286969658262
Energy: 0.6292776103621467
Energy: 0.6558294410190278
Energy: 0.6565946383992106
Energy: 0.663911705816187
Energy: 0.6623823826936547
Energy: 0.6479296675088606
Energy: 0.6560714067300114
Energy: 0.6420817755538076
Energy: 0.6643946980108691
Energy: 0.6622944082910869
Energy: 0.6489666523790276
Energy: 0.6548957535333568
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Energy: 0.660808515892256
Energy: 0.6460439259295828
Energy: 0.6584107602337957
Energy: 0.6444004208034324
Energy: 0.6584101905613041
Energy: 0.660183498545692
Energy: 0.6456494277488131
Energy: 0.6583589582124023
Energy: 0.6443534355347664
Energy: 0.6311881522522572
Energy: 0.636910942879522
Energy: 0.6564311606913584
Energy: 0.6798640309531921
Energy: 0.6319992605001129
Energy: 0.6524614387687018
Energy: 0.6486506638655541
Energy: 0.6723132582735764
Energy: 0.6792700916744271
Energy: 0.695040940245148
Energy: 0.6782433285607313
Energy: 0.6506122818576688
Energy: 0.653158710433558
Energy: 0.6602228250668848
Energy: 0.6707445421548756
Energy: 0.659132859138048
Energy: 0.649173918569413
Energy: 0.653229074581711
Energy: 0.6551109233969484
Energy: 0.6314727305055695
Energy: 0.6615681301641223
Energy: 0.6632473145466024
Energy: 0.6412819083339019
Energy: 0.6798436485907067
Energy: 0.645442541315556
Energy: 0.6613777775028313
Energy: 0.6648217346373445
Energy: 0.6430330203849947
Energy: 0.6535865344044751
Energy: 0.6900988194768356
Energy: 0.6511183786685295
Energy: 0.6480345320715123
Energy: 0.6644920002267628
Energy: 0.6313492129586372
Energy: 0.6483284487653455
Energy: 0.6500339920968454
Energy: 0.6476291820769616
Energy: 0.6492970561331995
Energy: 0.7180893566043336
Energy: 0.6317940774960275
Energy: 0.652113455533748
Energy: 0.6855047576744225
Energy: 0.6780391874558581
Energy: 0.6503270947744815
Energy: 0.6788773654990933
Energy: 0.6775741377598548
Energy: 0.6853201550145335
Energy: 0.6782324956947442
Energy: 0.6508034109343633
Energy: 0.6805967550687435
Energy: 0.6502773567625821
Energy: 0.6361423334249202
Energy: 0.6867120269565301
Energy: 0.6493160656001981
Energy: 0.6790653998647258
Energy: 0.6506447048219872
Energy: 0.6350556858060591
Energy: 0.6701463276463505
Energy: 0.6514511845958989
Energy: 0.6793971686251838
Energy: 0.6289596950634796
Energy: 0.6488329051937282
Energy: 0.6503778309223951
Energy: 0.665842817200934
Energy: 0.6414619246497156
Energy: 0.6631707402235709
Energy: 0.647714472437403
Energy: 0.6514050365872689
Energy: 0.6666816634610699
Energy: 0.6379858900337777

minimum gb energy = 0.6270537290826635 eV
minimum distance =  2.61048559546242 Angstroms
sigma value = 293


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

Energy: 0.6199715977894481
Energy: 0.6180451132984421
Energy: 0.6316905286240707
Energy: 0.649712527497318
Energy: 0.6177778997737491
Energy: 0.6194316197366918
Energy: 0.6312432567119216
Energy: 0.6283106323783891
Energy: 0.649152089419502
Energy: 0.617578561229036
Energy: 0.6214900240774328
Energy: 0.6287916747719362
Energy: 0.6246887748854151
Energy: 0.6333477560863205
Energy: 0.6471258332509331
Energy: 0.645733637684058
Energy: 0.6283239390915352
Energy: 0.6246319518565683
Energy: 0.6343339997114591
Energy: 0.6478456577601709
Energy: 0.6336862882654156
Energy: 0.6371203156918238
Energy: 0.6292757094908569
Energy: 0.6357840641853804
Energy: 0.6450605160277374
Energy: 0.633349015595979
Energy: 0.6344250764909348
Energy: 0.6292833012033723
Energy: 0.6395426102271754
Energy: 0.6310453394262122
Energy: 0.6360466997328397
Energy: 0.6229971926966904
Energy: 0.6180280950594733
Energy: 0.6330313405434552
Energy: 0.6285184175119948
Energy: 0.6356134653180006
Energy: 0.6211740729273219
Energy: 0.6177365598854373
Energy: 0.6332317083762273
Energy: 0.6217588512246137
Energy: 0.6493880779932124
Energy: 0.6194144809160975
Energy: 0.6222421938561095
Energy: 0.638366975103586
Energy: 0.6324694613976285
Energy: 0.6465559544502334
Energy: 0.6190617312160608
Energy: 0.6227167272397572
Energy: 0.6291209258246061
Energy: 0.6328265965631783
Energy: 0.6334668514325971
Energy: 0.6297953845401563
Energy: 0.6336445577678872
Energy: 0.6266243688659799
Energy: 0.623450458138165
Energy: 0.6340851003963308
Energy: 0.6354653784488954
Energy: 0.6487948193300032
Energy: 0.6278425173492098
Energy: 0.6231477199354978
Energy: 0.6329410985268549
Energy: 0.6158578421533006
Energy: 0.6325690453794423
Energy: 0.6291038772279343
Energy: 0.643654933393821
Energy: 0.631374327036535
Energy: 0.6148050368943995
Energy: 0.6320755490772403
Energy: 0.6302774375036893
Energy: 0.6284829578504798
Energy: 0.6476431025518887
Energy: 0.6264752152054659
Energy: 0.6353568781922065
Energy: 0.6212504895854681
Energy: 0.6200377908916783
Energy: 0.6480165080665906
Energy: 0.6273058414539583
Energy: 0.6346788975134917
Energy: 0.6212684610164803
Energy: 0.6180635498709198
Energy: 0.629620222882002
Energy: 0.6254626957266978
Energy: 0.6329770075532329
Energy: 0.6190134200188325
Energy: 0.6284051542418095
Energy: 0.6297008286139648
Energy: 0.6328477878743155
Energy: 0.6320914973742923
Energy: 0.6197763225068412
Energy: 0.6286268527634803
Energy: 0.6282558642092376
Energy: 0.6300839264956665
Energy: 0.626752482328932
Energy: 0.6562779315867048
Energy: 0.6498465856714106
Energy: 0.6292712776242714
Energy: 0.6320647594791048
Energy: 0.6258619620288425
Energy: 0.65168212351673
Energy: 0.639123854842701
Energy: 0.6220490467240642
Energy: 0.6471847693148153
Energy: 0.649957411157774
Energy: 0.6336514927570068
Energy: 0.6293973449007993
Energy: 0.621931683899207
Energy: 0.6465643144640268
Energy: 0.6212054082710498
Energy: 0.632567643244637
Energy: 0.6302591586971686
Energy: 0.6201803157398779
Energy: 0.6309734349961384
Energy: 0.6469330682346258
Energy: 0.6496424174099227
Energy: 0.6178348398618828
Energy: 0.6197088770583578
Energy: 0.6477623649443698
Energy: 0.634269490096594
Energy: 0.6489267072425895
Energy: 0.6176338927885117
Energy: 0.6271494087696352
Energy: 0.6287144332270809
Energy: 0.6242578494221309
Energy: 0.6332864798665031
Energy: 0.6473970648263193
Energy: 0.6465389637777468
Energy: 0.6279502716050731
Energy: 0.6246686751559675
Energy: 0.6337636840663663
Energy: 0.6503355466371938
Energy: 0.633462777334761
Energy: 0.6373989534215805
Energy: 0.6295984301364937
Energy: 0.6342065006816942
Energy: 0.6475622571185153
Energy: 0.6335623466102434
Energy: 0.6345565453147002
Energy: 0.6294821142921904
Energy: 0.6294392843917921
Energy: 0.6317296048600739
Energy: 0.6375455003590831
Energy: 0.6231322525659206
Energy: 0.6178949328394661
Energy: 0.6325903275082754
Energy: 0.6288219641983178
Energy: 0.6388252827194131
Energy: 0.621366993912356
Energy: 0.6176723916032937
Energy: 0.633258425975018
Energy: 0.6348368940587279
Energy: 0.649614997537038
Energy: 0.6196690400575
Energy: 0.6212746394252489
Energy: 0.6461291883246943
Energy: 0.6325432553638259
Energy: 0.6331575460868082
Energy: 0.6185263954380594
Energy: 0.6204960370731614
Energy: 0.6304118255733753
Energy: 0.6321004360258347
Energy: 0.6332695984898535
Energy: 0.6312252417382278
Energy: 0.6323673731420751
Energy: 0.6261941104494118
Energy: 0.6237556822782645
Energy: 0.6337783728378171
Energy: 0.6277795974084763
Energy: 0.6485450442007964
Energy: 0.627674001035582
Energy: 0.6234876945580626
Energy: 0.6331093909116472
Energy: 0.6158920883408026
Energy: 0.6323460480312932
Energy: 0.6301611487366628
Energy: 0.6425733436932941
Energy: 0.6336358555826493
Energy: 0.6148467434735095
Energy: 0.6322303590709347
Energy: 0.6310058240125429
Energy: 0.6456173137102834
Energy: 0.6477519554822434
Energy: 0.6270480420125853
Energy: 0.6349662884306508
Energy: 0.620607065977051
Energy: 0.6178688675349815
Energy: 0.6491134099990326
Energy: 0.6263874003931624
Energy: 0.6339747004138125
Energy: 0.621036533067834
Energy: 0.6181351065681344
Energy: 0.6293497074534345
Energy: 0.6248867395072357
Energy: 0.6327181069916386
Energy: 0.6197457882302619
Energy: 0.6300034126959008
Energy: 0.6292514724626302
Energy: 0.6330885710822604
Energy: 0.6326181612569279
Energy: 0.6209442200710962
Energy: 0.6318688156632193
Energy: 0.6279574308663398
Energy: 0.6300753742855062
Energy: 0.6274924779988696
Energy: 0.655689206553125
Energy: 0.6493847978603489
Energy: 0.629896467018425
Energy: 0.6319829790067047
Energy: 0.6261398775288455
Energy: 0.6504028191681169
Energy: 0.6414695768894149
Energy: 0.6224614270862623
Energy: 0.6324626033542062
Energy: 0.6493290234776843
Energy: 0.6298976443776844
Energy: 0.6293501080502513
Energy: 0.6227737580639262
Energy: 0.6325954350423988
Energy: 0.6212665691810482
Energy: 0.6310257533669053
Energy: 0.6293518121505228

minimum gb energy = 0.6148050368943995 eV
minimum distance =  2.62288852258385 Angstroms
sigma value = 15


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

Energy: 1.015677509477036
Energy: 0.6937998999738473
Energy: 0.693524827762202
Energy: 0.6761719674720004
Energy: 0.6829323322016773
Energy: 0.6698768877446862
Energy: 0.7043894271010714
Energy: 0.6433031294979769
Energy: 0.6675653213220709
Energy: 0.6836706377825037
Energy: 0.6309306753925135
Energy: 0.6859115633844753
Energy: 0.6805133797621841
Energy: 0.6890104203196127
Energy: 0.6540885017014616
Energy: 0.634663345625329
Energy: 0.6902545423182426
Energy: 0.682009162303827
Energy: 0.697888710790981
Energy: 0.6545919556508798
Energy: 0.6968984877065206
Energy: 0.6877127426629313
Energy: 0.695098272708993
Energy: 0.6617133576574052
Energy: 0.6508128286532716
Energy: 0.6820529719345771
Energy: 0.6727198362940395
Energy: 0.7000901382437946
Energy: 0.6521111413808833
Energy: 0.7225825980024762
Energy: 0.6550217776422521
Energy: 0.6469846383097396
Energy: 0.6697640392059463
Energy: 0.7016364314156436
Energy: 0.725287684498625
Energy: 0.6591067006425776
Energy: 0.6475452702642548
Energy: 0.6400442075716274
Energy: 0.6998574454507646
Energy: 0.7229526293100104
Energy: 0.7289089011846621
Energy: 0.6806507286402259
Energy: 0.6554675323360857
Energy: 0.6825128083441878
Energy: 0.7077969803670139
Energy: 0.7244738387915213
Energy: 0.6440186780202906
Energy: 0.6551603719161198
Energy: 0.6820856603764498
Energy: 0.6431457238336937
Energy: 0.6454375906072622
Energy: 0.6445851835731419
Energy: 0.6442228973080827
Energy: 0.6809410734658615
Energy: 0.7420329011323421
Energy: 0.6656193710118298
Energy: 0.6445187952757716
Energy: 0.6443907167444292
Energy: 0.7030590609761239
Energy: 0.7547412739783489
Energy: 0.645385080012089
Energy: 0.6421807221592732
Energy: 0.6461938697531896
Energy: 0.6528258696204744
Energy: 0.6876089670509204
Energy: 0.6455066218898428
Energy: 0.6405668449143148
Energy: 0.6471703204166795
Energy: 0.6390411812881803
Energy: 0.6551533981119695
Energy: 0.6500357659043388
Energy: 0.6394192538570058
Energy: 0.6417513819579633
Energy: 0.6504742481213309
Energy: 0.6794363521023926
Energy: 0.6505078826317983
Energy: 0.6395922373470277
Energy: 0.652644526974272
Energy: 0.6780403850480429
Energy: 0.6949889604842747
Energy: 0.6552003771828393
Energy: 0.739036960163023
Energy: 0.6858770214426736
Energy: 0.6679729082574228
Energy: 0.6397607184246011
Energy: 0.6531088770028443
Energy: 0.7377641294621067
Energy: 0.6849293938963941
Energy: 0.6826222131801587
Energy: 0.6587901146302871
Energy: 0.686465671341311
Energy: 0.6830525133397627
Energy: 0.6376334225562872
Energy: 0.6323721448640994
Energy: 0.6569986349161477
Energy: 0.6568211883073026
Energy: 0.6531230850468466
Energy: 0.6372133976487424
Energy: 0.6336171661794177
Energy: 0.6571873567760388
Energy: 0.6594759116682273
Energy: 0.664611966801434
Energy: 0.6584211186153183
Energy: 0.6507373992725074
Energy: 0.6414196875764643
Energy: 0.695468607585716
Energy: 0.6630962074798546
Energy: 0.6568716424046664
Energy: 0.653984534682913
Energy: 0.6433101659737859
Energy: 0.7592799204611249
Energy: 0.6776185966211824
Energy: 0.6585040068467769
Energy: 0.6316220615225406
Energy: 0.6889302531952292
Energy: 0.7402156005830831
Energy: 0.6794306155737964
Energy: 0.6578241576704139
Energy: 0.6337391119573442
Energy: 0.6849125847059223
Energy: 0.7104332774331849
Energy: 0.6815801478052058
Energy: 0.693401488363757
Energy: 0.6601025892932234
Energy: 0.6765265304858673
Energy: 0.6598446657320219
Energy: 0.6947024216478732
Energy: 0.6943041722301585
Energy: 0.670923242838018
Energy: 0.6948110624231374
Energy: 0.6927004669056782
Energy: 0.684306488948539
Energy: 0.6327735021426116
Energy: 0.6762803601350702
Energy: 0.6773124504397511
Energy: 0.6922276094083148
Energy: 0.6850666520451096
Energy: 0.6282688563698847
Energy: 0.6844245116366969
Energy: 0.6756790194642116
Energy: 0.6558266527708861
Energy: 0.6603489368063424
Energy: 0.7150855270077425
Energy: 0.6854134608992328
Energy: 0.6821601005527084
Energy: 0.656202662127995
Energy: 0.6705715892128303
Energy: 0.7102944205347528
Energy: 0.6856711893812838
Energy: 0.6817419187265238
Energy: 0.7373587335733086
Energy: 0.7250439905480347
Energy: 0.6789874739118139
Energy: 0.6626860711132889
Energy: 0.6622874954271315
Energy: 0.7360734494318889
Energy: 0.7251235214928126
Energy: 0.6781755286843913
Energy: 0.6584404546881509
Energy: 0.634247611710052
Energy: 0.6664354513004125
Energy: 0.6928302133509809
Energy: 0.7324297465004035
Energy: 0.6767534329606439
Energy: 0.6802771605470588
Energy: 0.6490044018407033
Energy: 0.6932329948796061
Energy: 0.7487899698073858
Energy: 0.6800589486517719
Energy: 0.695401349405496
Energy: 0.6469844147780971
Energy: 0.7333462075355479
Energy: 0.7551071417403312
Energy: 0.6461673428560012
Energy: 0.6502346785073234
Energy: 0.6475539333588931
Energy: 0.7336756648934236
Energy: 0.7536261800485128
Energy: 0.64581889149361
Energy: 0.650896634784757
Energy: 0.6461381983809105
Energy: 0.6820933391172657
Energy: 0.6567077618249265
Energy: 0.6450782684648392
Energy: 0.6447662136085659
Energy: 0.6474779122397439
Energy: 0.6583745333698259
Energy: 0.6457674154357957
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Energy: 0.6438186608379856
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Energy: 0.6407323639388652
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Energy: 0.6561462768292603
Energy: 0.6721734872661164
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Energy: 0.6945366371255207
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Energy: 0.6939322838915059
Energy: 0.6569730019578429
Energy: 0.6320935553941606
Energy: 0.7204435319781315
Energy: 0.7043596189250456
Energy: 0.6746762759992978
Energy: 0.6268490725657565
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Energy: 0.6629591166629399
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Energy: 0.7144483342143542
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Energy: 0.6700762471151518
Energy: 0.6555974893836708
Energy: 0.6554513768365702
Energy: 0.710950429547754
Energy: 0.6859171843128654
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Energy: 0.678972756227519
Energy: 0.7230240029401129
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Energy: 0.7084238919423111
Energy: 0.6419303085280947
Energy: 0.7223143441449709
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Energy: 0.7166267611421904
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Energy: 0.6683373943606058
Energy: 0.647171336221137
Energy: 0.6725247453953273
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Energy: 0.734941866682369
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Energy: 0.6472080030321402
Energy: 0.6416011268702054
Energy: 0.6404425837572789
Energy: 0.6441614868301628
Energy: 0.6438773538841065
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Energy: 0.6419036253583594
Energy: 0.6513723764403162
Energy: 0.6437739524942754
Energy: 0.6435150762016237
Energy: 0.6437185517953429
Energy: 0.6510055004479952
Energy: 0.6827216951965238
Energy: 0.6489993526534237
Energy: 0.648942255568528
Energy: 0.6382909189476493
Energy: 0.6469874559976215
Energy: 0.6814314133790845
Energy: 0.6549584677079517
Energy: 0.6431035508793614
Energy: 0.6388524320732508
Energy: 0.6514823420707797
Energy: 0.6518394019526621
Energy: 0.6544631335479754
Energy: 0.6784684928638329
Energy: 0.6566654966697572
Energy: 0.6544569341770465
Energy: 0.6513463194924561
Energy: 0.6599023330634751
Energy: 0.683740045007807
Energy: 0.6697010933326979
Energy: 0.6394284013714778
Energy: 0.6472226034785766
Energy: 0.6476539358816118
Energy: 0.7354581828915844
Energy: 0.628641427308964
Energy: 0.643374013377273
Energy: 0.651371044262694
Energy: 0.6524500202760349
Energy: 0.7363465909761245
Energy: 0.6542545244240627
Energy: 0.6408434064505251
Energy: 0.642594084023569
Energy: 0.6449307381181661
Energy: 0.7217801302365658
Energy: 0.6421918324853816
Energy: 0.6410542972449533
Energy: 0.6453471232997612
Energy: 0.6470178401007864
Energy: 0.7066110641117975
Energy: 0.6420544526355577
Energy: 0.6411789377322933
Energy: 0.6357529375056697
Energy: 0.7468212698917653
Energy: 0.7459467086139778
Energy: 0.6360814976739256
Energy: 0.6441683229977121
Energy: 0.6466174841644853
Energy: 0.748167302387853
Energy: 0.697998231814398
Energy: 0.6445335564472322
Energy: 0.6876141813664752
Energy: 0.7083043316025718
Energy: 0.7024261580242239
Energy: 0.6745337087399992
Energy: 0.6481652029858399
Energy: 0.6896476620171725
Energy: 0.7015803458809189
Energy: 0.7120712841721635
Energy: 0.6833829510300473
Energy: 0.6549594244410054

minimum gb energy = 0.6268490725657565 eV
minimum distance =  2.59451896848213 Angstroms
sigma value = 437


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

Energy: 0.8420474529091809
Energy: 0.65809035588145
Energy: 0.6498578858656693
Energy: 0.6549577803400385
Energy: 0.6562807644718724
Energy: 0.641831114416094
Energy: 0.6365006333942852
Energy: 0.6530418455239608
Energy: 0.6765427982117181
Energy: 0.6696574234966323
Energy: 0.6432236817465216
Energy: 0.6403248024004928
Energy: 0.6185904179336653
Energy: 0.6968393821535782
Energy: 0.6535759809171134
Energy: 0.6386558692050319
Energy: 0.658149227078998
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Energy: 0.6072005655970603
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Energy: 0.6443469218256741
Energy: 0.6681643744287031
Energy: 0.6136932119709685
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Energy: 0.6455963865221162
Energy: 0.6694971794410342
Energy: 0.613113393848238
Energy: 0.6643660715522075
Energy: 0.612038460733997
Energy: 0.6089684575843981
Energy: 0.6750667473600442
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Energy: 0.6575779014931596
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Energy: 0.6070818085452035
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Energy: 0.6584313396081868
Energy: 0.6331351612846582
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Energy: 0.603844757852973
Energy: 0.6088662425798093
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Energy: 0.6108955923849694
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Energy: 0.6309187865239936
Energy: 0.6392773365081119
Energy: 0.6424289214648956
Energy: 0.6447207752043743
Energy: 0.6534069287204087
Energy: 0.6293963123120256
Energy: 0.6323455879167394
Energy: 0.6415112795687121
Energy: 0.6462124518331639
Energy: 0.6525081451531778
Energy: 0.6121034828356785
Energy: 0.6260951785883697
Energy: 0.6438242107469259
Energy: 0.6348020198835308
Energy: 0.6095858016524283
Energy: 0.6069279335954184
Energy: 0.6683140978239556
Energy: 0.6430351474143517
Energy: 0.6257237471244712
Energy: 0.6104557838799525
Energy: 0.6073521395658558
Energy: 0.6450895255877337
Energy: 0.6051949169524281
Energy: 0.6749248726124025
Energy: 0.6384019165669101
Energy: 0.6695755612789465
Energy: 0.6450827089077251
Energy: 0.6058811156974567
Energy: 0.6744072665242876
Energy: 0.6411965471114167
Energy: 0.669577283414363
Energy: 0.644329483853435
Energy: 0.6874223062073505
Energy: 0.6356728891182611
Energy: 0.6077346908163141
Energy: 0.6421643189585898
Energy: 0.6444011280255831
Energy: 0.6527026973615655
Energy: 0.6417458326199476
Energy: 0.6075390913087764
Energy: 0.6428227993599596
Energy: 0.64249819888905
Energy: 0.6070958663701849
Energy: 0.6100111588443292
Energy: 0.6138149045347793
Energy: 0.6401097931296625
Energy: 0.6020976100088323
Energy: 0.6077626681183264
Energy: 0.6102384324736703
Energy: 0.6135263131123815
Energy: 0.640407516575905
Energy: 0.6051978836450254
Energy: 0.6069064100110374
Energy: 0.6060100106309589
Energy: 0.6186730132624078
Energy: 0.6535354354475725
Energy: 0.6165462021321769
Energy: 0.6074025213421533
Energy: 0.605804196760404
Energy: 0.6143957954203245
Energy: 0.6404587586489043
Energy: 0.6154935932247325
Energy: 0.6073309131337851
Energy: 0.6065093859027569
Energy: 0.6640406594652041
Energy: 0.6307314209436962
Energy: 0.6124897957516002
Energy: 0.6072318648073527
Energy: 0.6062046476350005
Energy: 0.6542115337016499
Energy: 0.6638305874450576
Energy: 0.6129035508773073
Energy: 0.7061538207234729
Energy: 0.6129682146064547
Energy: 0.6408847492084395
Energy: 0.644386751075135
Energy: 0.6019864564416009
Energy: 0.7042546258538979
Energy: 0.613804864917176
Energy: 0.6894593913178679
Energy: 0.6430038547225564
Energy: 0.6024648151999055

minimum gb energy = 0.6019864564416009 eV
minimum distance =  2.67265454412116 Angstroms
sigma value = 33