Model name: model_name=Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8296494334936138
cohesive_energy=4.3759129323723
mass=55.845
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=[7.734619852999379e-20, 1.6394753060395198e-19, 2.66446780764102e-19, 3.97081854793926e-19, 4.755772946234879e-19, 5.10688995557598e-19, 5.32311971410062e-19, 5.493527220892859e-19, 5.67196163262144e-19, 5.86326152272104e-19, 6.053087410317359e-19, 6.223751265371039e-19, 6.367258226478419e-19, 6.486299950384619e-19, 6.58754149188708e-19, 6.67564518499074e-19, 6.753895491795299e-19, 6.822596825861219e-19, 6.88149283892706e-19, 6.929622225012419e-19, 6.966536374659779e-19, 6.99210711373842e-19, 7.006414551080039e-19, 7.010436014431379e-19, 7.00604605045422e-19, 6.991754634878939e-19, 6.965462916314999e-19, 6.92463945568068e-19, 6.86465396250372e-19, 6.78912735597696e-19, 6.709018524276959e-19, 6.63395654897406e-19, 6.552309627705419e-19, 6.4393401532420795e-19, 6.26926910354298e-19, 6.03413366073714e-19, 5.728486424268959e-19, 5.253184704026519e-19, 4.5302345414667e-19, 4.06653258005442e-19, 3.50118853298118e-19, 1.329479762186664e-19, -4.84658431785e-19, -1.70253697835376e-18, -3.71447028649926e-18, -7.482533381405819e-18, -1.540385487756522e-17, -3.36514771498824e-17, -5.96631352381992e-17, -7.103971086324299e-17, -7.10073468952362e-17, -7.10363462923116e-17, -7.12098620217738e-17, -7.15963070258946e-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: 0.015582658489667741
Energy: 0.10492161785617007
Energy: 0.12199119252364102
Energy: 0.12415805809912568
Energy: 0.532530779485442
Energy: 0.12220730495190693
Energy: 0.5324661070735411
Energy: 0.12260585046554372
Energy: 0.123182229257012
Energy: 0.017246710283919154
Energy: 54.43514248398321
Energy: 0.12160349411061605
Energy: 0.10404029971306486
Energy: 0.016093744821821115
Energy: 0.01640855493969792
Energy: 0.12346686921442916
Energy: 0.1216259195467501
Energy: 0.5333504199616461
Energy: 0.12247960631285847
Energy: 0.10668240435761701
Energy: 54.460761240555534
Energy: 0.1228129481548992
Energy: 0.5336426261640663
Energy: 0.017723079601869255
Energy: 0.12376478866168204
Energy: 0.12264131473316577
Energy: 0.01682686516918243
Energy: 0.016226589658056848
Energy: 0.12277533341870066
Energy: 0.12271782378765501
Energy: 0.016432057595262253
Energy: 0.10459444357567795
Energy: 0.12218666321256755
Energy: 0.12175025595472368
Energy: 0.12304461773037038
Energy: 0.12224580492401427
Energy: 0.01630235134805525
Energy: 0.016511651669034462
Energy: 0.12233265114858426
Energy: 0.016481913033369332
Energy: 0.016637843333016544
Energy: 0.12575080624020787
Energy: 0.12229096985603728
Energy: 0.01655258864555406
Energy: 0.015876360634337026
Energy: 0.12298872665547338
Energy: 0.1227845205497118
Energy: 0.12249169838876732
Energy: 0.1222703131699829
Energy: 0.01582998341089513
Energy: 51.302421067854645
Energy: 0.1220334751675674
Energy: 0.5324177089405505
Energy: 0.01620955341673314
Energy: 0.016324567613181493
Energy: 0.12173868363001603
Energy: 0.016487869506006513
Energy: 0.01675227344029011
Energy: 0.12423242350325027
Energy: 0.12221322747007964
Energy: 0.016482074644266365
Energy: 0.532698930789706
Energy: 0.12230625167777817
Energy: 0.5325496780681972
Energy: 0.12334930951630593
Energy: 0.12196983295337586
Energy: 0.016326090333212397
Energy: 0.016550388470223863
Energy: 0.5325889395869817
Energy: 0.12237562698149332

minimum gb energy = 0.015582658489667741 eV
minimum distance =  2.44936762378306 Angstroms
sigma value = 3


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

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Energy: 1.5890247313661692
Energy: 1.6237874507109018
Energy: 1.616150762529424
Energy: 1.6381287710404364
Energy: 1.607502558465158
Energy: 1.6204545964172652
Energy: 1.6530569151651555
Energy: 1.6062726615655523
Energy: 1.6526612934182254
Energy: 1.6543930279841892
Energy: 1.673594343123678
Energy: 1.6400365460802182
Energy: 1.6052715080556978
Energy: 1.6034778910870826
Energy: 1.627926923833453
Energy: 1.6519754765391954
Energy: 1.6524954013065483
Energy: 1.6215914818891621
Energy: 1.637627038414845
Energy: 1.6716485951614055
Energy: 1.596634366144969
Energy: 1.6064536406973882
Energy: 1.6536936505159778
Energy: 1.6889387796386433
Energy: 1.6388828804218607
Energy: 1.606319812989294
Energy: 1.6155001395861426
Energy: 1.6050444422865284
Energy: 1.7835988867552286
Energy: 1.9722789040367343
Energy: 1.6059672995500076
Energy: 1.6062735725866288
Energy: 1.6171721831781662
Energy: 1.5668288076919745
Energy: 1.6058251499067238
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Energy: 1.6504002655316716
Energy: 1.6391161310203435
Energy: 1.6054494171663791
Energy: 1.6036171266517854
Energy: 1.6087544137489806
Energy: 1.6040056936533036
Energy: 1.7441371090126812
Energy: 1.6027379278856662
Energy: 1.6274568763232486
Energy: 1.6525201641181924
Energy: 1.6189567078556697
Energy: 1.5998113479691962
Energy: 1.616204009703831
Energy: 1.6710927888868181
Energy: 1.579709176481876
Energy: 1.5656536405872845
Energy: 1.565517652795456
Energy: 1.6041070497451453
Energy: 1.6053364324965047
Energy: 1.7888623364432337
Energy: 1.5739896581851305
Energy: 1.5999196280440366
Energy: 1.5961402801009705
Energy: 1.6701463331950017
Energy: 1.5805125019161168
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Energy: 1.602114308651475
Energy: 1.5971991811183892
Energy: 1.596285990083193
Energy: 1.5949033675264284
Energy: 1.7871045866697273
Energy: 1.5990407243392535
Energy: 1.6687716391243033
Energy: 1.6677636019637319
Energy: 1.5662525285477207
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Energy: 1.5962617440307734
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Energy: 1.55380148374579
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Energy: 1.5657591465242817
Energy: 1.6368255966468117
Energy: 1.6811973325574323
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Energy: 1.554029018085222
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Energy: 1.6756704235070186
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Energy: 1.674502891680733
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Energy: 1.573400486789499
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Energy: 1.6058600098705795
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Energy: 1.5764463210679098
Energy: 1.5758373336556115
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Energy: 1.691968272633716
Energy: 1.6066129124614605
Energy: 1.599083064922495
Energy: 1.652979156409904
Energy: 1.6595929125297118
Energy: 1.6068711040883017
Energy: 1.619726400842824
Energy: 1.652108663742022
Energy: 1.6067044049162302
Energy: 1.575896962252449
Energy: 1.6927401492470653
Energy: 1.6249007104598923
Energy: 1.6152016131652693
Energy: 1.6222884701838551
Energy: 1.6389888981116805
Energy: 1.6203886262242537
Energy: 1.652198463100678
Energy: 1.65312142479761
Energy: 1.6247411556274156
Energy: 1.6401272234248445
Energy: 1.6554803087840801
Energy: 1.6097563690446843
Energy: 1.6422893011738067
Energy: 1.6017024198257535
Energy: 1.6089955576750297
Energy: 1.5964810375445566
Energy: 1.6064545045081928
Energy: 1.6822085492707404
Energy: 1.6056484194572749
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Energy: 1.6537986938778915
Energy: 1.599580069825677
Energy: 1.607459345356941
Energy: 1.6514893290587391
Energy: 1.6343594443925207
Energy: 1.6048157704620813
Energy: 1.6169013037790605
Energy: 1.7418283001107537
Energy: 1.6391610400325565
Energy: 1.6080526491941312
Energy: 1.796434090905867
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Energy: 1.615739300041673
Energy: 1.6082843162616003
Energy: 1.6052801059710005
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Energy: 1.6529258903993533
Energy: 1.6006577789538436
Energy: 1.6168979503447085
Energy: 1.6042233386490947
Energy: 1.606527032089977
Energy: 1.6061265862264276
Energy: 1.7444256928201067
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Energy: 1.788989576281215
Energy: 1.5729682515567824
Energy: 1.5991240493410168
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Energy: 1.6828298619334445
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Energy: 1.565416607999993
Energy: 1.7161907720455718
Energy: 1.6071571311668529
Energy: 1.59594402828494
Energy: 1.5958338696802148
Energy: 1.787203301790547
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Energy: 1.5998819759674143
Energy: 1.672545129992491
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Energy: 1.5697802655310282
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Energy: 1.5961550828943099
Energy: 1.5534800573441385
Energy: 1.6739257264503251
Energy: 1.636716022225426
Energy: 1.5659731425080106
Energy: 1.6672705744890517
Energy: 1.5673609496043415
Energy: 1.5801248809803308
Energy: 1.6004899408884818
Energy: 1.5975211963556377
Energy: 1.5960828565227603
Energy: 1.6000735450167851
Energy: 1.668815949541706
Energy: 1.6667119772333718
Energy: 1.5668312804410134
Energy: 1.7240769550347417
Energy: 1.6788477663558858
Energy: 1.561238322596738
Energy: 1.5966328703299815
Energy: 1.5543205939419638
Energy: 1.6067963395900793
Energy: 1.5814455923545814
Energy: 1.5686853870099662
Energy: 1.5658537068363083
Energy: 1.668944435360068
Energy: 1.6296943055184188
Energy: 1.6754883163518701
Energy: 1.5529126182569204
Energy: 1.5904243151675614
Energy: 1.6058804740571764
Energy: 1.609463884587769
Energy: 1.5669611336435414
Energy: 1.579712861022081
Energy: 1.6172373030113312
Energy: 1.6210918976466309
Energy: 1.5988360579176681
Energy: 1.5953668582762934
Energy: 1.7869532097644831
Energy: 1.5983990119218894
Energy: 1.6257591828670308
Energy: 1.8532017046860563
Energy: 1.6252191663933686
Energy: 1.6243870148110804
Energy: 1.6203545239712613
Energy: 1.614926170646649
Energy: 1.5988715433179923
Energy: 1.5721993373700545
Energy: 1.652295055382199
Energy: 1.6074808220959884
Energy: 1.6285711617855976
Energy: 1.690385161957814
Energy: 1.7342812797147333
Energy: 1.6057740472411746
Energy: 1.8511277153333567
Energy: 1.576769957340345
Energy: 1.606074468163035
Energy: 1.652310726337623
Energy: 1.652020850427194
Energy: 1.6079187999169795
Energy: 1.6055610557726498
Energy: 1.6571890402927614
Energy: 1.602479816614004
Energy: 1.603901913567879
Energy: 1.6135114429100923
Energy: 1.674562268912279
Energy: 1.5957717624226921
Energy: 1.613719610909029
Energy: 1.578412987536856
Energy: 1.6157282259443255
Energy: 1.6186886612337956
Energy: 1.6200908567249452
Energy: 1.5981189468848025
Energy: 1.597013326043444
Energy: 1.6167925561724332
Energy: 1.7537068980989088
Energy: 1.6065073092791728
Energy: 1.6044871333537414
Energy: 1.657451015053588
Energy: 1.6045541171747162
Energy: 1.5777788956651684

minimum gb energy = 1.5529126182569204 eV
minimum distance =  2.17819703542511 Angstroms
sigma value = 75


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

Energy: 1.7112512709663765
Energy: 1.6727369051786487
Energy: 1.6381240088137943
Energy: 1.600896221299947
Energy: 1.6802810657469565
Energy: 1.6396317250881394
Energy: 1.6338393736545533
Energy: 1.6837494162888276
Energy: 1.64375216451067
Energy: 1.6624784294399475
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Energy: 1.6423839254995083
Energy: 1.6668915632107884
Energy: 1.6197214182696027
Energy: 1.6874614084703785
Energy: 1.686809387777112
Energy: 1.5985677091042456
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Energy: 1.6499497760585875
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Energy: 1.6563560234681938
Energy: 1.8378083207215254
Energy: 1.7671309751767084
Energy: 1.6386293550354267
Energy: 1.64081620353552
Energy: 1.8449178842116671
Energy: 1.6582568145927479
Energy: 1.6394212551021043
Energy: 1.6393894568200156
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Energy: 1.6434119085099799
Energy: 1.6084710977452872
Energy: 1.6747250481826295
Energy: 1.620047367153366
Energy: 1.6174084256276848
Energy: 1.6424557875462338
Energy: 1.6388874552700086
Energy: 1.6382566393141553
Energy: 1.639201426377793
Energy: 1.599825225396457
Energy: 1.6339960421236635
Energy: 1.6355940442005512
Energy: 1.6833022307887426
Energy: 1.6192501094301235
Energy: 1.6925540714665286
Energy: 1.651479238599244
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Energy: 1.6822698237659293
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Energy: 1.649299588893349
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Energy: 1.651059796241616
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Energy: 1.6081691989963978
Energy: 1.635346043626491
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Energy: 1.6366407175473598
Energy: 1.7168597567900894
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Energy: 1.681649749872387
Energy: 1.6517017973699923
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Energy: 1.6577525961481558
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Energy: 1.6103362406089266
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Energy: 1.7213962637296238
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Energy: 1.648085715774476
Energy: 1.6474663128442373
Energy: 1.6087889046971178
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Energy: 1.6590746130328147
Energy: 1.6313425374610213
Energy: 1.7437781322562378
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Energy: 1.6473972742551473
Energy: 1.647195401756187
Energy: 1.6939571413035839
Energy: 1.6647330405390481
Energy: 1.6592082057998216
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Energy: 1.6029431501042253
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Energy: 1.6547637103929922
Energy: 1.6504305767935454
Energy: 1.6062469570540314
Energy: 1.6070179787340284
Energy: 1.6662874378878885
Energy: 1.6295687331627782
Energy: 1.6838708279639136
Energy: 1.6541835185280822
Energy: 1.6545407257772375
Energy: 1.6429347437922617
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Energy: 1.6253247892483724
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Energy: 1.6201326246978052
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Energy: 1.6363810334264979
Energy: 1.6078917450690886
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Energy: 1.6253662691109294
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Energy: 1.655679316187628
Energy: 1.7770207257033672
Energy: 1.688313564090369
Energy: 1.66307091181669
Energy: 1.6655260287618092
Energy: 1.6085706762402492
Energy: 1.6918371613051983
Energy: 1.637136850168113
Energy: 1.6401255400575938
Energy: 1.6235098061257522
Energy: 1.6885386083036462
Energy: 1.678460674795327
Energy: 1.6930912303929597
Energy: 1.6509392177474558
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minimum gb energy = 1.5849948741925854 eV
minimum distance =  2.17938552391099 Angstroms
sigma value = 105


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

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Energy: 1.5975881065166433
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Energy: 1.6822327660882055
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Energy: 1.6120952977719976
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Energy: 1.5619588111763905
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Energy: 1.6369482127516055
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Energy: 1.684535066703629
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Energy: 1.6535771043266394
Energy: 1.6795279423339569
Energy: 1.6545584767898853
Energy: 1.649505984426804
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Energy: 1.7232196338228647
Energy: 1.6606103696432168
Energy: 1.6253325852946454
Energy: 1.6335753799106643
Energy: 1.831928204769837
Energy: 1.6817973080593605
Energy: 1.6332810977207048
Energy: 1.8311983134567873
Energy: 1.6335112190381782
Energy: 1.8228725428904846
Energy: 1.8243343425006011
Energy: 1.6538147920584965
Energy: 1.658893089180645
Energy: 1.654285089690671
Energy: 1.6130097565461463
Energy: 1.6075376493630429
Energy: 1.6687540103165763
Energy: 1.6353193161849844
Energy: 1.6570942441449135
Energy: 1.6411937619757433
Energy: 1.6539475142856401
Energy: 1.653527149547121
Energy: 1.6535793902878846
Energy: 1.6531910261204088
Energy: 1.6735479014140047
Energy: 1.6942466490007677
Energy: 1.6981154634767046
Energy: 1.650077086499336
Energy: 1.5972132588569647
Energy: 1.640042023992724
Energy: 1.6547180925778484
Energy: 1.653543722963565
Energy: 1.6406615210611162
Energy: 1.6403161846022896
Energy: 1.6436185844750675
Energy: 1.6498045257766782
Energy: 1.6489938708715146
Energy: 1.6807808669388367
Energy: 1.6806725992463252
Energy: 1.6150924604191046
Energy: 1.6572022132516169
Energy: 1.6661037419807037
Energy: 1.6599996344036676
Energy: 1.6434160477802986
Energy: 1.644077020456315
Energy: 1.6455002618105616
Energy: 1.6697026207813577
Energy: 1.680070100104005
Energy: 1.6651321423503018
Energy: 1.6854151493850111
Energy: 1.659077865925098
Energy: 1.7984261428232775
Energy: 1.6542184167840663
Energy: 1.5882180931492758
Energy: 1.6342503990408384
Energy: 1.6446489198081016
Energy: 1.6182897444429927
Energy: 1.6178863124199159
Energy: 1.6106716840625483
Energy: 1.6390252159934084
Energy: 1.803480034138486
Energy: 1.605931799089699
Energy: 1.6239841001843092
Energy: 1.711231716171183
Energy: 1.6683261156931029
Energy: 1.5960090871352417

minimum gb energy = 1.535397440331243 eV
minimum distance =  2.20263826206123 Angstroms
sigma value = 165


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

Energy: 1.5470185285071174
Energy: 1.6263183413951146
Energy: 1.5854281421309142
Energy: 1.6459258356889779
Energy: 1.7202268351761947
Energy: 1.5870324045922828
Energy: 1.6555034593643014
Energy: 1.6444596008142711
Energy: 1.584687612013674
Energy: 1.5505168267452656
Energy: 1.6471269369461272
Energy: 1.5849919429932535
Energy: 1.6279588709322608
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Energy: 1.665737195186644
Energy: 1.623998896876734
Energy: 1.5882042234097349
Energy: 1.5970615418358853
Energy: 1.587237711594457
Energy: 1.7192581373976883
Energy: 1.6182882005878343
Energy: 1.622619279416125
Energy: 1.6216739470632162
Energy: 1.6761480425542017
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Energy: 1.6182709313820494
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Energy: 1.6531946703632687
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Energy: 1.5965718261741548
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Energy: 1.657282083536859
Energy: 1.6225286214831596
Energy: 1.622722735377251
Energy: 1.6260660571179024
Energy: 1.6175286108960771
Energy: 1.646558101051738
Energy: 1.6468865757459683
Energy: 1.5978132374788443
Energy: 1.625524186336101
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Energy: 1.64422923293849
Energy: 1.622067485917955
Energy: 1.6218505176284608
Energy: 1.6249921552819202
Energy: 1.6274393703786234
Energy: 1.582425436832059
Energy: 1.5874382927574733
Energy: 1.644754084917379
Energy: 1.688978511440166
Energy: 1.6265965032474794
Energy: 1.6189801548925886
Energy: 1.6219274850125727
Energy: 1.62824923784461
Energy: 1.6757822830083784
Energy: 1.587213182619767
Energy: 1.6178043299733011
Energy: 1.5825769207000882
Energy: 1.6407973833387546
Energy: 1.6447073517978057
Energy: 1.622196370151398
Energy: 1.6184425794539135
Energy: 1.6266627332724182
Energy: 1.6280005605345893
Energy: 1.6179593590330599
Energy: 1.5836701327778016
Energy: 1.6183232577703768
Energy: 1.5653633979721258
Energy: 1.626520588730796
Energy: 1.6206770398868249
Energy: 1.621829047367292
Energy: 1.6763028693628843
Energy: 1.6296767365971716
Energy: 1.644334292695261
Energy: 1.5836179612724475
Energy: 1.5829182628644554
Energy: 1.6532251112530614
Energy: 1.670210148939619
Energy: 1.6254163538516968
Energy: 1.5480609756826331
Energy: 1.6267166121038463
Energy: 1.7241480250929542
Energy: 1.68837483818742
Energy: 1.5885460750891336
Energy: 1.582742882866141
Energy: 1.5840366839382949
Energy: 1.6590540374235432
Energy: 1.6265722030931418
Energy: 1.6227860585555116
Energy: 1.6453558073816335
Energy: 1.5670892789563189
Energy: 1.6680026940054922
Energy: 1.6377398799924623
Energy: 1.7812122667943813
Energy: 1.627604247585532
Energy: 1.6627865991153563

minimum gb energy = 1.5470185285071174 eV
minimum distance =  2.19483898655481 Angstroms
sigma value = 41


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

Energy: 3.0821992425213267
Energy: 1.6488609218895973
Energy: 1.6340201702382884
Energy: 1.6277711524241922
Energy: 1.5207312518560407
Energy: 1.5198932571208825
Energy: 1.6699571038768968
Energy: 1.5937790941928005
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Energy: 1.5062912508590676
Energy: 1.5258510379896333
Energy: 1.6162559140050403
Energy: 1.5586643666600066
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Energy: 1.5431709364508093
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Energy: 1.5960422482733687
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Energy: 1.5827767523127694
Energy: 1.5270698603223072
Energy: 1.5352652732701089
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Energy: 1.6444720973831415
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Energy: 1.572402506981127
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Energy: 1.5195049182590652
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Energy: 1.6439412150378787
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Energy: 1.531389809653991
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Energy: 1.4980010529492607
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Energy: 1.5208674386080652
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Energy: 1.6756625338502922
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Energy: 1.4814265762625494
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Energy: 1.5648473196752228
Energy: 1.5425065525089792
Energy: 1.5430656461890273
Energy: 1.6029898525402573
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Energy: 1.5441025963957902
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Energy: 1.6807852526336908
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Energy: 1.6662708807098316
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Energy: 1.4872590734460573
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Energy: 1.6070601310211354
Energy: 1.570876368495602
Energy: 1.6672673677438896
Energy: 1.5784811683671545
Energy: 1.5441829176618627
Energy: 1.468663754957953
Energy: 1.466471946646798
Energy: 1.5774131358599697
Energy: 1.636155457119031
Energy: 1.5484437948571979
Energy: 1.733064542753139
Energy: 1.5007158406452645
Energy: 1.591978750806943
Energy: 1.6214636803574731
Energy: 1.4487487764521891
Energy: 1.5495117638627864
Energy: 1.5574912770670422
Energy: 1.578035661225614
Energy: 1.5462344650665412
Energy: 1.6267767383472775
Energy: 1.6648262809395264
Energy: 1.6887847106813207
Energy: 1.5122123165074781
Energy: 1.4649499963097121
Energy: 1.4903365750327766
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Energy: 1.6021406703706875
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Energy: 1.5945208922546255
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Energy: 1.5556687142311345
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Energy: 1.5654578698926596
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Energy: 1.5934544285927332
Energy: 1.5780837226289832
Energy: 1.5324570895570866
Energy: 1.5308532636531014
Energy: 1.6726953794822532
Energy: 1.6169039720620495
Energy: 1.6809257047823283
Energy: 1.7193496999563052
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Energy: 1.5926646176166002
Energy: 1.602694514805365
Energy: 1.5349460123883842
Energy: 1.5861155361087587
Energy: 1.5654902361552545
Energy: 1.6156374669916118
Energy: 1.7073326775871052
Energy: 1.5095618821071475
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Energy: 1.546787353312449
Energy: 1.546065685360837
Energy: 1.601131473492617
Energy: 1.519050864192725
Energy: 1.5283209600241165
Energy: 1.4813658496145183
Energy: 1.533370981335082
Energy: 1.5337072159131577
Energy: 1.6245059738206453
Energy: 1.6059655997940532
Energy: 1.5982880111948374
Energy: 1.4990953156263396
Energy: 1.4826665306169102
Energy: 1.6569743089736506
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Energy: 1.5809287687417166
Energy: 1.5587733735077764
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Energy: 1.642151147497784
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Energy: 1.537354829472909
Energy: 1.6571708112930243
Energy: 1.4838177418106553
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Energy: 1.559179277672823
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Energy: 1.5204035599990682
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Energy: 1.5002611428587624
Energy: 1.6147261478087278
Energy: 1.517084876415688
Energy: 1.6696264535190828
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Energy: 1.5826178830017452
Energy: 1.6041373713592815
Energy: 1.5966276916869162
Energy: 1.458879800736757
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Energy: 1.654923362037599
Energy: 1.6969044739535526
Energy: 1.5723857739600353
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Energy: 1.4995941732156588
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Energy: 1.5183777982823465
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Energy: 1.5686577008537246
Energy: 1.5238838516090294
Energy: 1.5859090031707703
Energy: 1.6203438538574393
Energy: 1.521249037920046
Energy: 1.5204272967198453
Energy: 1.467305843726258
Energy: 1.5317745676901773
Energy: 1.5563754635344063
Energy: 1.5427917953706105
Energy: 1.6014316275232472
Energy: 1.6842191324068145
Energy: 1.6533616413104957
Energy: 1.5802608557620361
Energy: 1.5724661043306556
Energy: 1.4891693851083696
Energy: 1.4451766666450805
Energy: 1.6040519097999488
Energy: 1.6440456884242838
Energy: 1.4811699416345192
Energy: 1.591451105121507
Energy: 1.5597965613847273
Energy: 1.6167929112683195
Energy: 1.6055961121038946
Energy: 1.5365266141111367
Energy: 1.4899649722733184
Energy: 1.6003791530076765
Energy: 1.5596039371009451
Energy: 1.5578496341628478
Energy: 1.5746907512402462
Energy: 1.5736242931801363
Energy: 1.504716923127874
Energy: 1.548894828969385
Energy: 1.4603781309264672
Energy: 1.4627228378051214
Energy: 1.5209596537492525
Energy: 1.6697532667269706
Energy: 1.5714137036782512
Energy: 1.5421422435123022
Energy: 1.5615207785160712
Energy: 1.6283078462767622
Energy: 1.5551256992532716
Energy: 1.6199280951721235
Energy: 1.6292086673102408
Energy: 1.5115823340802026
Energy: 1.5719749419795912
Energy: 1.5497933246598417
Energy: 1.5725125764238763
Energy: 1.5727960992433203
Energy: 1.564792598453802
Energy: 1.5738307598131143
Energy: 1.6949441170328565
Energy: 1.7005822305078855
Energy: 1.678269702214842
Energy: 1.6473891248005552
Energy: 1.5204075893874114
Energy: 1.5422394486296012
Energy: 1.5244927946415079
Energy: 1.564367769407591
Energy: 1.5619570294747107
Energy: 1.6426298489591737
Energy: 1.570253922131959
Energy: 1.6574704342362592
Energy: 1.6059108209396544
Energy: 1.7694653240388398
Energy: 1.5214779658757247
Energy: 1.5533532158912249
Energy: 1.5006066096010389
Energy: 1.6407045580336224
Energy: 1.5423372194967329
Energy: 1.4990831492912877
Energy: 1.5209213905195493
Energy: 1.5210282258590042
Energy: 1.764914521667625
Energy: 1.6058114642901014
Energy: 1.7375028613213934
Energy: 1.6506753233866331

minimum gb energy = 1.4451766666450805 eV
minimum distance =  2.1905492863893 Angstroms
sigma value = 185


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

Energy: 3.037906126666496
Energy: 1.7849954449686418
Energy: 1.771630801603746
Energy: 1.6292170250390212
Energy: 1.6299164284880472
Energy: 1.7316743221552071
Energy: 1.784778673748213
Energy: 1.7223389108482976
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Energy: 1.7124232096971004
Energy: 1.6781615589564824
Energy: 1.7870807519682597
Energy: 1.5736581933615332
Energy: 1.7375458287741699
Energy: 1.7508787356489217
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Energy: 1.7836129266000875
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Energy: 1.6912951540831629
Energy: 1.6883102112008512
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Energy: 1.6277908746759995
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Energy: 1.7859862886388445
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Energy: 1.6833707046103799
Energy: 1.6949317637906425
Energy: 1.5531523032784211
Energy: 1.6600161572713452
Energy: 1.5712782122745057
Energy: 1.656421464537975
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Energy: 1.6216235567233157
Energy: 1.5233363338135377
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Energy: 1.696201060354607
Energy: 1.6647201723682932
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Energy: 1.6443826441703837
Energy: 1.6403499901563665
Energy: 1.6684240000919808
Energy: 1.6539251128069425
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Energy: 1.752980716390549
Energy: 1.7706996406889943
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Energy: 1.6877685722514884
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Energy: 1.6767308950686703
Energy: 1.762609615632254
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Energy: 1.7383593491974074
Energy: 1.8377674010255252
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Energy: 1.7043877778148289
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Energy: 1.6362724711456986
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Energy: 1.7756848515991008
Energy: 1.7182661722865153
Energy: 1.5474048175488924
Energy: 1.593247434128595
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Energy: 1.6741037613234118
Energy: 1.5453713641252844
Energy: 1.5071741047654164
Energy: 1.6967920170330797
Energy: 1.7660795958299977
Energy: 1.8105552478347036
Energy: 1.6743290218881033
Energy: 1.7114115415454194
Energy: 1.6987436157317342
Energy: 1.5939627706655748
Energy: 1.642725392650244
Energy: 1.5266451626839275
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Energy: 1.7820700705545303
Energy: 1.5451940179742922
Energy: 1.784860013258644
Energy: 1.7403014132286971
Energy: 1.6968189713859299
Energy: 1.745820024179227
Energy: 1.6353992265821784
Energy: 1.6723688322949344
Energy: 1.6793567711298698
Energy: 1.8215032032083158
Energy: 1.7938078223460576
Energy: 1.7666292453694104
Energy: 1.6963994688491029
Energy: 1.6942943230541507
Energy: 1.464553076723306
Energy: 1.6961232986053532
Energy: 1.6531253391402305
Energy: 1.7614741757278736
Energy: 1.4829919130262417
Energy: 1.7827633614963454
Energy: 1.7926876869527242
Energy: 1.7884286259240894
Energy: 1.6890135663811412
Energy: 1.690422684608823
Energy: 1.673891126149361
Energy: 1.7090237271929618
Energy: 1.4846133832076613
Energy: 1.6660580014433521
Energy: 1.6531869272090343
Energy: 1.718730484218817
Energy: 1.816561786393504
Energy: 1.5420932054967724
Energy: 1.7574133794496105
Energy: 1.577908800039672
Energy: 1.6821302427754057
Energy: 1.5328257206969715
Energy: 1.5186311899741407
Energy: 1.5755921124901662
Energy: 1.6951473163459059
Energy: 1.7535043386870162
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Energy: 1.727077009148143
Energy: 1.6785892150885884
Energy: 1.5772243110098816
Energy: 1.5811327506226394
Energy: 1.578547403612297
Energy: 1.5588172180172533
Energy: 1.623286042022535
Energy: 1.545211970074715
Energy: 1.6644306057287908
Energy: 1.53028646975571
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Energy: 1.688167978727801
Energy: 1.694936874471739
Energy: 1.5257251315368203
Energy: 1.5318876924169096
Energy: 1.562325538890996
Energy: 1.5281047431509698
Energy: 1.7965169884585974
Energy: 1.747003736021147
Energy: 1.7356575259193023
Energy: 1.5288090181961556
Energy: 1.703001756190735
Energy: 1.7823928274410685
Energy: 1.7749207816224548
Energy: 1.557922887910626
Energy: 1.5491292314020755
Energy: 1.6974544338050912
Energy: 1.7838611249302683
Energy: 1.7884477800098602
Energy: 1.7842938983820078
Energy: 1.7308464352415072
Energy: 1.701661683787724
Energy: 1.7956128743515218
Energy: 1.620995101062843
Energy: 1.762378654970388
Energy: 1.6994707764266033
Energy: 1.7357401128422338
Energy: 1.5389896629317372
Energy: 1.78394039037902
Energy: 1.68972050099835
Energy: 1.6954977966772529
Energy: 1.6946162265092288
Energy: 1.7991227623133565
Energy: 1.6744259165238786
Energy: 1.7644312297419202
Energy: 1.5292422947830577
Energy: 1.7778768191493062
Energy: 1.783119675812309
Energy: 1.7697968448803414
Energy: 1.748083180183461
Energy: 1.5426326355820246
Energy: 1.6775970410861927
Energy: 1.573624241453198
Energy: 1.645808563004785
Energy: 1.5587565124944742
Energy: 1.656124987337101
Energy: 1.6576611922419717
Energy: 1.7991033939027181
Energy: 1.7476818487204415
Energy: 1.6925341360599702
Energy: 1.688416200280906
Energy: 1.574894613923109
Energy: 1.5954080926660086
Energy: 1.573396507938
Energy: 1.5758218384163551
Energy: 1.5073048800445306
Energy: 1.763828687173499
Energy: 1.540061815938734
Energy: 1.7184571450252937
Energy: 1.6946686635379775
Energy: 1.695694910157981
Energy: 1.7899543169490997
Energy: 1.5543045183966882
Energy: 1.6517337924988187
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Energy: 1.4826175361801437
Energy: 1.8008055192134138
Energy: 1.7534057896090764
Energy: 1.7508853920042207
Energy: 1.695864270050626
Energy: 1.7750230056361576
Energy: 1.6540325311686521
Energy: 1.582587002234592
Energy: 1.666871849239015
Energy: 1.794797112139946
Energy: 1.7931061776123718
Energy: 1.820459414535645
Energy: 1.8023165576487494
Energy: 1.6878572561971963
Energy: 1.6903017783076368
Energy: 1.6887075663296087
Energy: 1.7280364253355567
Energy: 1.7626087417966838
Energy: 1.7389671784096703
Energy: 1.7270508481278655
Energy: 1.7674187591810289
Energy: 1.830895664040998
Energy: 1.5647733098732555
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Energy: 1.5698078003859322
Energy: 1.5545643499924708
Energy: 1.6370315412540573
Energy: 1.6704143849114188
Energy: 1.690859041998211
Energy: 1.6980713767282496
Energy: 1.8103058762267725
Energy: 1.7957970335594748
Energy: 1.6714500252132092
Energy: 1.5387794241742154
Energy: 1.5707730061146632
Energy: 1.6149104397696763
Energy: 1.677533157125968
Energy: 1.4974172817524793
Energy: 1.5133885546667403
Energy: 1.797064272994491
Energy: 1.8210756677835171
Energy: 1.7403247915797915
Energy: 1.757966954928764
Energy: 1.6632778653173632
Energy: 1.7376975117223212
Energy: 1.6882518703995495
Energy: 1.5760558134295302
Energy: 1.530188594007042
Energy: 1.5867860715381457
Energy: 1.5121111206743547
Energy: 1.513225855265591
Energy: 1.6986979365511035
Energy: 1.796380710013658
Energy: 1.6952675636234686
Energy: 1.7465687213999324
Energy: 1.7595091254052353
Energy: 1.6966922077918773
Energy: 1.5146666181244994
Energy: 1.7562680610276875
Energy: 1.825124679387916
Energy: 1.561741084803406
Energy: 1.7600897794484818
Energy: 1.6649971742009269
Energy: 1.694281995546596
Energy: 1.8197429768040052
Energy: 1.5129472405958893
Energy: 1.766649534120684
Energy: 1.5228294283529424
Energy: 1.7465052345553034
Energy: 1.7968706446828893
Energy: 1.7838161652145037
Energy: 1.6728578087678299
Energy: 1.531554889505201
Energy: 1.6946880613908568
Energy: 1.7797846710557508
Energy: 1.6566569212795792
Energy: 1.6822497627731574
Energy: 1.6298952760465113
Energy: 1.6644428787752692
Energy: 1.527035150811118
Energy: 1.6740047754754748
Energy: 1.752955187520847
Energy: 1.580466042143004
Energy: 1.592329793419588
Energy: 1.5837122447176573
Energy: 1.5957621560672508
Energy: 1.6416910033124903
Energy: 1.7753615423699407
Energy: 1.7811501993038634
Energy: 1.8122597480966878
Energy: 1.6764618655447165
Energy: 1.681996908055899
Energy: 1.6949535839566077
Energy: 1.6167707271485983
Energy: 1.647906681992188
Energy: 1.5730084064055343
Energy: 1.6452529249296144
Energy: 1.5306434585640465
Energy: 1.6646716905440158
Energy: 1.7933166037443442
Energy: 1.7906540824948511
Energy: 1.6948034803185745
Energy: 1.8373845432530602
Energy: 1.7915828802713165
Energy: 1.6289870871846313
Energy: 1.6158588822871511
Energy: 1.616348597415119
Energy: 1.6647513244097731
Energy: 1.4909514621701867
Energy: 1.5778880088165452
Energy: 1.711715390947612

minimum gb energy = 1.464553076723306 eV
minimum distance =  2.19147741178694 Angstroms
sigma value = 33


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

Energy: 2.850986924125061
Energy: 1.6726388861573096
Energy: 1.6622312359034164
Energy: 1.5755832956087166
Energy: 1.648503671297887
Energy: 1.7401346477802213
Energy: 1.7376949738490217
Energy: 1.6916712932202043
Energy: 1.664200966663592
Energy: 1.7014575178853473
Energy: 1.5695656696165377
Energy: 1.7401699365571546
Energy: 1.7808615073696754
Energy: 1.6968067825917725
Energy: 1.6967980188202467
Energy: 1.78137703756465
Energy: 1.690667031298484
Energy: 1.692306518309327
Energy: 1.7255438949993955
Energy: 1.5642457605961793
Energy: 1.568494400136719
Energy: 1.7017049829634363
Energy: 1.6524504567492302
Energy: 1.5758272598452838
Energy: 1.6661792154001456
Energy: 1.6638804035632837
Energy: 1.5554433861112493
Energy: 1.5546971484716976
Energy: 1.5643917704304087
Energy: 1.5646038785803666
Energy: 1.568455695064766
Energy: 1.5610443611983
Energy: 1.6787325355665765
Energy: 1.6000880335176981
Energy: 1.582131147327395
Energy: 1.5356174023493794
Energy: 1.6921873423623033
Energy: 1.6907772359048572
Energy: 1.5641587024324493
Energy: 1.5658652774479629
Energy: 1.5692410246297002
Energy: 1.5624313353837909
Energy: 1.689164782923592
Energy: 1.6841243778014323
Energy: 1.6829965234160316
Energy: 1.5393638683592958
Energy: 1.7628102847914722
Energy: 1.7722506086886223
Energy: 1.5646285479675015
Energy: 1.5692562300214123
Energy: 1.7057276158248311
Energy: 1.6483735489520588
Energy: 1.7032567198176667
Energy: 1.7485075849237472
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Energy: 1.6829718867695524
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Energy: 1.681489033660755
Energy: 1.5541474494908785
Energy: 1.7820206749560537
Energy: 1.6718416141230497
Energy: 1.677633647205665
Energy: 1.5347962453996875
Energy: 1.7115205018887618
Energy: 1.5952766919393464
Energy: 1.547994918881563
Energy: 1.6669123285334366
Energy: 1.7071101189425246
Energy: 1.7456852219543963
Energy: 1.6276953890738635
Energy: 1.6406356002882734
Energy: 1.5614696877589387
Energy: 1.6428778237628514
Energy: 1.606907410670217
Energy: 1.5693798438131317
Energy: 1.5646012770271591
Energy: 1.6730846565290691
Energy: 1.7083152589809583
Energy: 1.7298278545601544
Energy: 1.6601408086355927
Energy: 1.557601750096915
Energy: 1.5373523305842764
Energy: 1.6881590560856568
Energy: 1.6064335038339645
Energy: 1.6065032295919606
Energy: 1.5519857330517528
Energy: 1.550518625350948
Energy: 1.6710493539185898
Energy: 1.5762314692290447
Energy: 1.7838757916782806
Energy: 1.5645496172130426
Energy: 1.546546825354694
Energy: 1.667392614858179
Energy: 1.5687246519499076
Energy: 1.5974244096657777
Energy: 1.585829311225556
Energy: 1.5691051615729077
Energy: 1.7081568127162925
Energy: 1.7019847880541579
Energy: 1.7457753765592823
Energy: 1.7561648807807624
Energy: 1.7009008649966084
Energy: 1.7457481414472895
Energy: 1.700733980944283
Energy: 1.652110954783961
Energy: 1.7035027315209088
Energy: 1.7489558436948487
Energy: 1.7135695801703525
Energy: 1.6837157094982473
Energy: 1.544702611207069
Energy: 1.5518054316305616
Energy: 1.7469410305684978
Energy: 1.7835445768008118
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Energy: 1.545142260394886
Energy: 1.692591575384847
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Energy: 1.5688256381277237
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Energy: 1.5547545869994888
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Energy: 1.601105358393325
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Energy: 1.666199288803071
Energy: 1.739341498222224
Energy: 1.6919914289168363
Energy: 1.664056309808334
Energy: 1.5722113382423133

minimum gb energy = 1.5347514096050336 eV
minimum distance =  2.18600410037324 Angstroms
sigma value = 219


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

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Energy: 1.539183896857422
Energy: 1.5385235167144813
Energy: 1.604638318567602
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Energy: 1.5251317469963817
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Energy: 1.5231904981644702
Energy: 1.5194506923804187
Energy: 1.5962156950278743
Energy: 1.5409473483360214
Energy: 1.5229460708695604
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Energy: 1.5257400560153367
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Energy: 1.4926097461628616
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Energy: 1.5250652599116152
Energy: 1.4823097981056852
Energy: 1.4800130502361373
Energy: 1.5399075979539796
Energy: 1.5211836351728976

minimum gb energy = 1.4795509953098185 eV
minimum distance =  2.21967167900823 Angstroms
sigma value = 15


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

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Energy: 1.7807906388726011
Energy: 1.7828208231183862
Energy: 1.7044422775939279
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Energy: 1.6829757957315488
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Energy: 1.6809878817005937
Energy: 1.7036933898036954
Energy: 1.7761769703333716
Energy: 1.787154996663025
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minimum gb energy = 1.6384924026357903 eV
minimum distance =  2.18296299165297 Angstroms
sigma value = 293


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

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Energy: 1.7836218707552143
Energy: 1.7112759950741878
Energy: 1.7267838558123387
Energy: 1.72695723148053
Energy: 1.7233640230165448
Energy: 1.8035311153721172
Energy: 1.7267392189665802
Energy: 1.6801875351578484
Energy: 1.6809706781737708
Energy: 1.7428823369847148
Energy: 1.7773937093579064
Energy: 1.7264960196789787
Energy: 1.7479405524850238
Energy: 1.779477223572246
Energy: 1.7160742164081149
Energy: 1.727041132704218
Energy: 1.7503735918858574
Energy: 1.6798014877336982
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Energy: 1.7507211670868572
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Energy: 1.7231471559018705
Energy: 1.8215193246949164
Energy: 1.7507611625414483
Energy: 1.7804184474261588
Energy: 1.6995546049023138
Energy: 1.7756170760805567
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Energy: 1.7476350042027151
Energy: 1.803678529508142
Energy: 1.762315100970523
Energy: 1.7212104553363299
Energy: 1.805375739372986
Energy: 1.805847280316278
Energy: 1.8666388932814075
Energy: 1.775943187693353
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Energy: 1.7232821055029388
Energy: 1.751845903261264
Energy: 1.6542824766789834
Energy: 1.6781524754605917
Energy: 1.7507880182478321
Energy: 1.7581863768770716
Energy: 1.8561416127206647
Energy: 1.77901010067898
Energy: 1.6995701412707536
Energy: 1.6801011108013857
Energy: 1.7563862626367404
Energy: 1.7264550318764667
Energy: 1.7336722617558447
Energy: 1.7210368718559876
Energy: 1.7509335099157666
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Energy: 1.7323109942652601
Energy: 1.7991428939564138
Energy: 1.681968743871685
Energy: 1.68002747895907
Energy: 1.7510330628031743
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Energy: 1.720344268291192
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Energy: 1.726890370181153
Energy: 1.8197211002850178
Energy: 1.7275591179579903
Energy: 1.7269877995709955
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Energy: 1.7196701655996096
Energy: 1.8341516831640827
Energy: 1.7198021746415102
Energy: 1.7347031994718165
Energy: 1.7366287001437102
Energy: 1.7127332624627787
Energy: 1.7526974335880492
Energy: 1.7826194845410908
Energy: 1.8227640853460767
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Energy: 1.7178005673886176
Energy: 1.6871378754251736
Energy: 1.724620329193257
Energy: 1.654571659905597
Energy: 1.654764296206274
Energy: 1.730866984452684
Energy: 1.9280785201171182
Energy: 1.8683503466149969
Energy: 1.795206502682431
Energy: 1.7344031608067334
Energy: 1.7490901549008453
Energy: 1.6880205651031954
Energy: 1.6880547650938662
Energy: 1.654925591626151
Energy: 1.6557447858847658
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Energy: 1.9297229101645403
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Energy: 1.7242562910903068
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Energy: 1.7727869709212847
Energy: 1.7068646547068032
Energy: 1.7523516144757834
Energy: 1.815945935474409
Energy: 1.7736688914895944
Energy: 1.7642970705061618
Energy: 1.7342094422637784
Energy: 1.8087625313452986
Energy: 1.7758072787080073
Energy: 1.7527144405144564
Energy: 1.763407480655933
Energy: 1.7864743163232346
Energy: 1.7313765889426513
Energy: 1.8565381212961098
Energy: 1.68762768572994
Energy: 1.6872190155500588
Energy: 1.7779830303359285
Energy: 1.7108141847841358
Energy: 1.7635814060373853
Energy: 1.7667412387829717
Energy: 1.7796129854493532
Energy: 1.769136576073614
Energy: 1.7665791609348747
Energy: 1.8541912488366472
Energy: 1.7635893609638114
Energy: 1.7757543783652057
Energy: 1.6879295999560862
Energy: 1.6880196845141429
Energy: 1.8533771293751906
Energy: 1.83484752837242
Energy: 1.7800369283404252
Energy: 1.7672560834534494
Energy: 1.7742241743129663
Energy: 1.7968487021113873
Energy: 1.7639936943586008
Energy: 1.7836475374797247
Energy: 1.797551560868566
Energy: 1.78224859154694
Energy: 1.727546268542662
Energy: 1.731870562811037
Energy: 1.763405628408732
Energy: 1.7109881587197644
Energy: 1.7801189930686925
Energy: 1.8320641198157637
Energy: 1.7227767133716432
Energy: 1.7209312951713762
Energy: 1.7219855945106162
Energy: 1.764094392319149
Energy: 1.7449516302706183
Energy: 1.8035059469409371
Energy: 1.840342860377692
Energy: 1.8711695862028388
Energy: 1.7310969011411177
Energy: 1.6553752190156177
Energy: 1.7225103599442373
Energy: 1.6876545546708497
Energy: 1.749103476514508
Energy: 1.702745423449916
Energy: 1.8284236204777509
Energy: 1.7772718175159419
Energy: 1.9186513081624017
Energy: 1.7775532822766305
Energy: 1.7109953628308423
Energy: 1.654817220920484
Energy: 1.6558631457306083
Energy: 1.686957719462305
Energy: 1.7832280956796245
Energy: 1.771145006586673
Energy: 1.862309410246373
Energy: 1.7507045101403327
Energy: 1.7107175313416942
Energy: 1.7329841313070673
Energy: 1.8139662606753686
Energy: 1.6554304569168967
Energy: 1.7200592154385004
Energy: 1.7203243806543584
Energy: 1.7854917815330733
Energy: 1.7134030924131465
Energy: 1.7275547173240042
Energy: 1.7672465437580402

minimum gb energy = 1.6540994743761666 eV
minimum distance =  2.18002593596857 Angstroms
sigma value = 293


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

Energy: 1.914029627937576
Energy: 1.6928360869532741
Energy: 1.5501794672026201
Energy: 1.6885441789923492
Energy: 1.6298374444411292
Energy: 1.678820626719071
Energy: 1.5482462099995744
Energy: 1.549502892124209
Energy: 1.6280246573246349
Energy: 1.897131085276529
Energy: 1.62619803409609
Energy: 1.6293107486939207
Energy: 1.690801543807949
Energy: 1.6640350099601702
Energy: 1.5478542447418033
Energy: 1.5462228582032966
Energy: 1.549391733972286
Energy: 1.6886445278393005
Energy: 1.6787989014672102
Energy: 1.62793957140967
Energy: 1.6287157487856214
Energy: 1.6748583524469054
Energy: 1.629159670694029
Energy: 1.5479105859942615
Energy: 1.7301359010400015
Energy: 1.7260935671049098
Energy: 1.6879467858481592
Energy: 1.5496236776584686
Energy: 1.5489635087389522
Energy: 1.5484090555209418
Energy: 1.5490617498575283
Energy: 1.4307771120618622
Energy: 1.4773109110701215
Energy: 1.7259520861392375
Energy: 1.7662288596905356
Energy: 1.7280832196248699
Energy: 1.547645342831613
Energy: 1.6772649779163142
Energy: 1.4300420478012434
Energy: 1.687802602689763
Energy: 1.6794482612070587
Energy: 1.8956147286665552
Energy: 1.4301231768439748
Energy: 1.547031778049959
Energy: 1.5478184200984317
Energy: 1.5252549676158065
Energy: 1.678940176069347
Energy: 1.6291157233997493
Energy: 1.5451345764433868
Energy: 1.6787393562760844
Energy: 1.6786095707909579
Energy: 1.545806501207824
Energy: 1.6291627895154372
Energy: 1.6792003993589566
Energy: 1.6898578235517248
Energy: 1.7294872066637592
Energy: 1.5479647533484848
Energy: 1.6947793516967646
Energy: 1.54832472953594
Energy: 1.6902334193194928
Energy: 1.5489119441236014
Energy: 1.6881006495569937
Energy: 1.6288965661828128
Energy: 1.6775758104183587
Energy: 1.5462498529222721
Energy: 1.7651926701380518
Energy: 1.7295213243159613
Energy: 1.6900016804568805
Energy: 1.5486880436579635
Energy: 1.544266824883509
Energy: 1.429758603580031
Energy: 1.5481372182341322
Energy: 1.5470408018700392
Energy: 1.4299965528179515
Energy: 1.8963561354371032
Energy: 1.76332756042783
Energy: 1.7639460772922249
Energy: 1.5475282210541785
Energy: 1.6296193951990756
Energy: 1.6772985517129169
Energy: 1.5500580355206337
Energy: 1.6784256752428337
Energy: 1.6257608831685777
Energy: 1.4307994334380851
Energy: 1.549430847559744
Energy: 1.6291555712634205
Energy: 1.696397675900022
Energy: 1.6939463888060522
Energy: 1.6293851179276708
Energy: 1.5445912714229661
Energy: 1.5480106828094262
Energy: 1.5486640509721223
Energy: 1.5494157290929553
Energy: 1.6281946099742934
Energy: 1.6891081364507874
Energy: 1.679080399074346
Energy: 1.5473623667277414
Energy: 1.7307714372402012
Energy: 1.7268525185116512
Energy: 1.688610561223644
Energy: 1.5450610383632226
Energy: 1.5482021339816174
Energy: 1.4304457514844624
Energy: 1.6296494715813912
Energy: 1.6294509267942254
Energy: 1.4317336837267387
Energy: 1.6916595733378472
Energy: 1.7669814891679365
Energy: 1.7268910142390228
Energy: 1.546910926055047
Energy: 1.6791697012365439
Energy: 1.6773011251932222
Energy: 1.549798691557853
Energy: 1.6281207017414396
Energy: 1.8974401458584427
Energy: 1.4323177271533878
Energy: 1.69163170443981
Energy: 1.5480708347366072
Energy: 1.6906520373737435
Energy: 1.6297734901935843
Energy: 1.5444480655530322
Energy: 1.5495936637404775
Energy: 1.6868986043446976
Energy: 1.679067308998792
Energy: 1.6277593326540203
Energy: 1.5486445917656917
Energy: 1.62929306989549
Energy: 1.689636239511362
Energy: 1.5258369816280706
Energy: 1.5477483464937845
Energy: 1.726126750096612
Energy: 1.6888354831173225
Energy: 1.5490720708232542
Energy: 1.5498209621515966
Energy: 1.5472942780682795
Energy: 1.6291985245470575
Energy: 1.6760814889821054
Energy: 1.6296955216956959
Energy: 1.6290740038175533
Energy: 1.729787293163353
Energy: 1.7272344152933596
Energy: 1.5473220014690494
Energy: 1.6777147295534571
Energy: 1.4303480499402652
Energy: 1.5485045111610054
Energy: 1.5480533889308323
Energy: 1.4300352046020937
Energy: 1.8976399766628138
Energy: 1.72647054575454
Energy: 1.765861582781903
Energy: 1.525171524336497
Energy: 1.678688375609631
Energy: 1.629191803873843
Energy: 1.5479200001106341
Energy: 1.549365398093283
Energy: 1.6799272717383418
Energy: 1.8956048946597326
Energy: 1.4297881535574868
Energy: 1.5467062048126805
Energy: 1.54781779771703
Energy: 1.5480616624378076
Energy: 1.5479677518759598
Energy: 1.6911292928592376
Energy: 1.6807923941605898
Energy: 1.6892717751839395
Energy: 1.6286752275857639
Energy: 1.5484623551362122
Energy: 1.6294647980506989
Energy: 1.6786950379118362
Energy: 1.6906170511063434
Energy: 1.7649375915234022
Energy: 1.7299218351874939
Energy: 1.691682815603253
Energy: 1.5486276450816352
Energy: 1.5457000586858367
Energy: 1.5477156733458766
Energy: 1.6910049010025203
Energy: 1.6295512995171046
Energy: 1.6293693414382164
Energy: 1.546650256264485
Energy: 1.628393515796946
Energy: 1.7652330387778454
Energy: 1.5479044525600603
Energy: 1.6256310371185227
Energy: 1.678074999704962
Energy: 1.547999885498729
Energy: 1.5487116419482958
Energy: 1.5475934804303602
Energy: 1.4298619508977573
Energy: 1.8977686866740613
Energy: 1.629485049941654
Energy: 1.694097685424704
Energy: 1.6639370580411812
Energy: 1.6296108133593779
Energy: 1.5443598189209526
Energy: 1.5497836264195004
Energy: 1.678470506107114
Energy: 1.680951276980398
Energy: 1.429961296331937
Energy: 1.5487845961384672
Energy: 1.6791186115575054
Energy: 1.546741065211093
Energy: 1.7644256845526511
Energy: 1.7276445978933628
Energy: 1.6924470196497685
Energy: 1.6335936441362569
Energy: 1.549189139367714
Energy: 1.5486793243330856
Energy: 1.6256448146878688
Energy: 1.6893605560137264
Energy: 1.4308004989378456
Energy: 1.6906745541669648
Energy: 1.766264972382123
Energy: 1.7289815067729781
Energy: 1.5472653508234833
Energy: 1.5462772927417805
Energy: 1.5496240008706748
Energy: 1.6864553691813784
Energy: 1.6296981010672154
Energy: 1.6297427064856247

minimum gb energy = 1.429758603580031 eV
minimum distance =  2.19759630489226 Angstroms
sigma value = 15


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

Energy: 2.8539502708097526
Energy: 1.6842555597132072
Energy: 1.6609040490535134
Energy: 1.6608803567930548
Energy: 1.6842701703532328
Energy: 1.7231931360909158
Energy: 1.635187626573359
Energy: 1.635193914888176
Energy: 1.6714084514988967
Energy: 1.6965294479601163
Energy: 1.7282037576213836
Energy: 1.777395499072191
Energy: 1.6348365405153034
Energy: 1.6355345078409411
Energy: 1.711405223920805
Energy: 1.6854317830368648
Energy: 1.6187809785860248
Energy: 1.6193971899043604
Energy: 1.6208188703464224
Energy: 1.7772214644649755
Energy: 1.7364316553539285
Energy: 1.7265934407998038
Energy: 1.6990216388151937
Energy: 1.6496462584019957
Energy: 1.636223666692738
Energy: 1.6354762854966527
Energy: 1.6211535886562494
Energy: 1.6191374761999386
Energy: 1.6872298074967176
Energy: 1.7108467171683608
Energy: 1.6792542230711471
Energy: 1.7767467729776336
Energy: 1.8108442010227093
Energy: 1.6396802579463354
Energy: 1.6396463334006943
Energy: 1.6352903205932994
Energy: 1.7339318378088315
Energy: 1.6795182731722331
Energy: 1.6148205273733263
Energy: 1.9432071736397172
Energy: 1.6190112836741617
Energy: 1.7088367467912624
Energy: 1.6782795043043848
Energy: 1.6830248938498111
Energy: 1.6716733764831724
Energy: 1.6707124992143754
Energy: 1.8067716533215914
Energy: 1.7094978652535855
Energy: 1.730412460356747
Energy: 1.6695343428157574
Energy: 1.6979041501163779
Energy: 1.6891071717373234
Energy: 1.7404401775218965
Energy: 1.7769304658101315
Energy: 1.7662991539845494
Energy: 1.6733675066987275
Energy: 1.6992006151834949
Energy: 1.698770718094083
Energy: 1.7312541674895472
Energy: 1.7318459040513756
Energy: 1.684663520336722
Energy: 1.664005549885694
Energy: 1.729892387679604
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Energy: 1.776283284486858
Energy: 1.6707240931733822
Energy: 1.7379200883756931
Energy: 1.7378172605966336
Energy: 1.7264939765880212
Energy: 1.7646599074788993
Energy: 1.6471715034113206
Energy: 1.7247546254544426
Energy: 1.7248458505954498
Energy: 1.6470264494359166
Energy: 1.8071903345746776
Energy: 1.7267405132276468
Energy: 1.6993699427789617
Energy: 1.6987789362697927
Energy: 1.7279707032255072
Energy: 1.7529266408946822
Energy: 1.7359632556867421
Energy: 1.730927240156042
Energy: 1.7308471001012131
Energy: 1.7060748641664774
Energy: 1.7294903950789624
Energy: 1.728670237380796
Energy: 1.7382198105368436
Energy: 1.73788501380755
Energy: 1.6723244018653178
Energy: 1.770038786010709
Energy: 1.7591619273196533
Energy: 1.7300797265129535
Energy: 1.6913812220571858
Energy: 1.7379053277805292
Energy: 1.6886795923306566
Energy: 1.7305590615903692
Energy: 1.6992924126454454
Energy: 1.6986796226679708
Energy: 1.6744211269340017
Energy: 1.9060439456229883
Energy: 1.6807271581316414
Energy: 1.7146081444200798
Energy: 1.7380495373830784
Energy: 1.6212713298454433
Energy: 1.6580882570298376
Energy: 1.7317913649233532
Energy: 1.7131999479299187
Energy: 1.821607615465455
Energy: 1.6720328933536137
Energy: 1.6728718288665134
Energy: 1.6383583329834428
Energy: 1.7138358456521026
Energy: 1.7191080177718983
Energy: 1.6799081073830109
Energy: 1.9412670047225813
Energy: 1.6621333319547087
Energy: 1.6802998708973187
Energy: 1.7167318385215253
Energy: 1.6356751672735075
Energy: 1.6395052793284266
Energy: 1.6349174297418219
Energy: 1.6924279628388097
Energy: 1.6826212381935863
Energy: 1.7593541807697275
Energy: 1.7060856033083716
Energy: 1.6944090577696465
Energy: 1.6206274804894427
Energy: 1.6218521739615122
Energy: 1.6364153643203814
Energy: 1.6363073222661153
Energy: 1.6368807632432094
Energy: 1.6337282636706862
Energy: 1.6992101014113206
Energy: 1.6821596643627532
Energy: 1.7530202227056715
Energy: 1.620145938720949
Energy: 1.621348641668337
Energy: 1.6206126627542419
Energy: 1.6853705520960707
Energy: 1.735937176479807
Energy: 1.654020944507907
Energy: 1.649418784671287
Energy: 1.6802032737700485
Energy: 1.7915567172686235
Energy: 1.6835196763754485
Energy: 1.681521937258525
Energy: 1.6337135931927529
Energy: 1.6338488087122254
Energy: 1.8319568178034396
Energy: 1.6740422966538189
Energy: 1.6548986696469632
Energy: 1.6340231334486743
Energy: 1.7548687749882215
Energy: 1.703145172577872
Energy: 1.7286385448800163
Energy: 1.6661225441804273
Energy: 1.9972386872856034
Energy: 1.6346377029320434
Energy: 1.6906525155590966
Energy: 1.65871309760774
Energy: 1.6506664260511354
Energy: 1.6550527882630786
Energy: 1.752995928498017
Energy: 1.7640615591223447
Energy: 1.8144616645523015
Energy: 1.681145142546423
Energy: 1.6895270800023705
Energy: 1.6346301834036925
Energy: 1.6812670057229522
Energy: 1.6789140034370869
Energy: 1.7691530656221108
Energy: 1.8561709982946202
Energy: 1.6623998158486348
Energy: 1.7121866100439749
Energy: 1.7140967488242915
Energy: 1.697752265983206
Energy: 1.7720286172080455
Energy: 1.6911744756694882
Energy: 1.689177223690763
Energy: 1.6971980258317878
Energy: 1.6936147926263643
Energy: 1.822061116753319
Energy: 1.7195391555169623
Energy: 1.6518190966715156
Energy: 1.7755880060540432
Energy: 1.6887517523284385
Energy: 1.7107324720498134
Energy: 1.7116725073334504
Energy: 1.692987418215494
Energy: 1.8156632317193162
Energy: 1.6919835253453295
Energy: 1.7528217324788729
Energy: 1.752696243380297
Energy: 1.6335529894598264
Energy: 1.71094354324085
Energy: 1.668988758958909
Energy: 1.7530910831738797
Energy: 1.752751322806094
Energy: 1.6907914819461218
Energy: 1.6938260645801788
Energy: 1.6917392331933556
Energy: 1.8235435827642805
Energy: 1.7516806685020005
Energy: 1.725908568523369
Energy: 1.6631885635148909
Energy: 1.6687505008981038
Energy: 1.685464692924159
Energy: 1.7528750677219724
Energy: 1.6917153714987128
Energy: 1.8166812048359056
Energy: 1.6912887964328935
Energy: 1.687203884245741
Energy: 1.727598650893944
Energy: 1.763812254132964
Energy: 1.7456956385703428
Energy: 1.736577046428645
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Energy: 1.8771806749504314
Energy: 1.7521131397585856
Energy: 1.6891379713101797
Energy: 1.6841687555930158
Energy: 1.6843741429419499
Energy: 1.6608008054209
Energy: 1.7102333445445421
Energy: 1.7751654975868696
Energy: 1.7468430453374324
Energy: 1.7524554369732923
Energy: 1.7027791694808743
Energy: 1.6775778100754906
Energy: 1.6848383543317478
Energy: 1.693739090802354
Energy: 1.6688225751151953
Energy: 1.6649501317035307
Energy: 1.6936420136888635
Energy: 1.6943033534487992
Energy: 1.7198015570081209
Energy: 1.7760079891171896
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Energy: 1.688698711742097
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Energy: 1.6971409266655204
Energy: 1.6704218526349917
Energy: 1.6777589129592902
Energy: 1.6789403384838348
Energy: 1.650962284626069
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Energy: 1.688399768182157
Energy: 1.716765988929535
Energy: 1.6891162012230097
Energy: 1.6378001422673507
Energy: 1.639323445417005
Energy: 1.6502664533448084
Energy: 1.7756653769492199
Energy: 1.6121614386666019
Energy: 1.7884957578911813
Energy: 1.978340483684063
Energy: 1.6155215304282093
Energy: 1.6838019181572936
Energy: 1.6437030558413337
Energy: 1.6394302128223883
Energy: 1.6375484748891849
Energy: 1.6928438460411477
Energy: 1.808254474955718
Energy: 1.7120098519827365
Energy: 1.6960280448756373
Energy: 1.725525993564485
Energy: 1.6779853072908322
Energy: 1.6434656050364425
Energy: 1.6434484827640385
Energy: 1.644228548537063
Energy: 1.7111265827060858
Energy: 1.6226531055573263
Energy: 1.9269160936083793
Energy: 1.7844946916597202
Energy: 1.773577560745912
Energy: 1.6803673954919796
Energy: 1.6457965980308025
Energy: 1.6464852005605737
Energy: 1.6728059534078143
Energy: 1.7037242196473652
Energy: 1.7124073491955278
Energy: 1.7073237528929148
Energy: 1.7053358758988606
Energy: 1.6481531502953604
Energy: 1.8463909780160968
Energy: 1.6986709675659708
Energy: 1.6887925521680616
Energy: 1.6714266402507418
Energy: 1.672460207404071
Energy: 1.6988381282943017
Energy: 1.6973496604898863
Energy: 1.7070852970228103
Energy: 1.7096111973479111
Energy: 1.6871067909538167
Energy: 1.7374302720215984
Energy: 1.7259921072915843
Energy: 1.7620867722990545
Energy: 1.9087704749354288
Energy: 1.6698330765535363
Energy: 1.7412562749981169
Energy: 1.7416851069957606
Energy: 1.7271449553562297
Energy: 1.7068428901849135
Energy: 1.6795300449824364
Energy: 1.6792662183934115
Energy: 1.733093888896906
Energy: 1.7140651693616398
Energy: 1.7722744308984744
Energy: 1.7295774458473527
Energy: 1.7155444175062555
Energy: 1.697534527952045
Energy: 1.7312631348275085
Energy: 1.7316709704829512
Energy: 1.685459682246137
Energy: 1.728326257565606
Energy: 1.7318233629580282
Energy: 1.683010689196858
Energy: 1.724706855097353
Energy: 1.7337241071306526
Energy: 1.73932357478715
Energy: 1.7401048958605512
Energy: 1.7358020653203703
Energy: 1.7197878955416734
Energy: 1.7428389678159906
Energy: 1.7269587929795505
Energy: 1.7018403515769267
Energy: 1.754862128922767
Energy: 1.7309067577149555
Energy: 1.7328924026293144
Energy: 1.744813580116613
Energy: 1.6971154428062782
Energy: 1.6709911479754291
Energy: 1.6709860893614665
Energy: 1.7441494128258341
Energy: 1.7078611650578195
Energy: 1.6827252791499012
Energy: 1.7147148898277549
Energy: 1.734243605211469
Energy: 1.733991028926046
Energy: 1.723872630308849
Energy: 1.7048327015650453
Energy: 1.905037112729748
Energy: 1.6700629858854017
Energy: 1.6835662672402099
Energy: 1.705843689804412
Energy: 1.7370780433334998
Energy: 1.63306986483534
Energy: 1.6561527133641571
Energy: 1.6818464870204346
Energy: 1.6818509143887737
Energy: 1.71140631625633
Energy: 1.63651167801661
Energy: 1.6396651532391837
Energy: 1.63798755160029
Energy: 1.6450204044764325
Energy: 1.794177446474881
Energy: 1.679932526796791
Energy: 1.6786034108752927
Energy: 1.671428156117986
Energy: 1.619707387110819
Energy: 1.6222897519255957
Energy: 1.6405002316987158
Energy: 1.636599335694967
Energy: 1.6504341798573279
Energy: 1.6830175015892652
Energy: 1.6754250311223302
Energy: 1.7835482690783417
Energy: 1.710627240210757
Energy: 1.6671525257624553
Energy: 1.6211543833503628
Energy: 1.6192437499975458
Energy: 1.6824554856162046
Energy: 1.6802520040056552
Energy: 1.6387491803181828
Energy: 1.7090450027599238
Energy: 1.6982531467851907
Energy: 1.7435336122222405
Energy: 1.7774007788203914
Energy: 1.6749092562430992
Energy: 1.6355392263242985
Energy: 1.63650004155728
Energy: 1.6820369229587033
Energy: 1.681229883675968
Energy: 1.6614007879058479
Energy: 1.66356413270204
Energy: 1.6813532771485187
Energy: 1.693497809664062
Energy: 1.656799351418776
Energy: 1.756681946068426
Energy: 2.0043290946362706
Energy: 1.6359877857223195
Energy: 1.692309577381212
Energy: 1.6631727007481267
Energy: 1.6496381764855292
Energy: 1.6418483064827787
Energy: 1.7800299760320974
Energy: 1.6773035886062535
Energy: 1.7000185877566114
Energy: 1.6750065783464123
Energy: 1.6783473593517855
Energy: 1.636182847882026
Energy: 1.6832879997309271
Energy: 1.67661253760516
Energy: 1.649558310952084
Energy: 1.6505490886411756
Energy: 1.7762868503637805
Energy: 1.743165924845354
Energy: 1.7763111797029414
Energy: 1.6806923201714492
Energy: 1.687551303794704
Energy: 1.6957865535252548
Energy: 1.6761696955757428
Energy: 1.6849642918615184
Energy: 1.721043653682159
Energy: 1.9243944862346944
Energy: 1.9302996711229472
Energy: 1.720696759056038
Energy: 1.7738260506264316
Energy: 1.6588756094047648
Energy: 1.6931411001739012
Energy: 1.6927614464539904
Energy: 1.6937288419993213
Energy: 1.8179695612048854
Energy: 1.770235808593909
Energy: 1.804523510163185
Energy: 1.6875328437291177
Energy: 1.6447233874494722
Energy: 1.713874035512245
Energy: 1.675037107640902
Energy: 1.8171351342322033
Energy: 1.7763893407824474
Energy: 1.6941066700240095
Energy: 1.7040965790478237
Energy: 1.691931750881378
Energy: 1.7766585923055447
Energy: 1.7769918507777427
Energy: 1.658642919629763
Energy: 1.6775443310684082
Energy: 1.6464673414419493
Energy: 1.6730008792362745
Energy: 1.776049000677832
Energy: 1.6924765100795502
Energy: 1.8127340464605879
Energy: 1.8177345980064337
Energy: 1.7359857045180158
Energy: 1.7785204189483548
Energy: 1.6804616799078225
Energy: 1.6776337270013224
Energy: 1.6934287040130245
Energy: 1.6777045787982938
Energy: 1.875070100798433
Energy: 1.7682012086075418
Energy: 1.7679790702784
Energy: 1.69269359500453
Energy: 1.6927250505945888
Energy: 1.6921244485929563
Energy: 1.7838172019354674
Energy: 1.6970976500266217
Energy: 1.7762052823823362
Energy: 1.7355921560612124
Energy: 1.6736900636385565
Energy: 1.691733566382533
Energy: 1.6787285547064499
Energy: 1.6754988242616449
Energy: 1.6797554870369813
Energy: 1.6754482515925904
Energy: 1.6779385524885624
Energy: 1.8000144101372924
Energy: 1.7370424932679218
Energy: 1.7772365270061175
Energy: 1.6194566632738507
Energy: 1.6496173790303064
Energy: 1.650798483999921
Energy: 1.6919459945087485
Energy: 1.6346698635451766
Energy: 1.6362539356796266
Energy: 1.6880430336206909
Energy: 1.7260996384022116
Energy: 1.6585619406967262
Energy: 1.6945393444072687
Energy: 1.6501279944442904
Energy: 1.6588069879113612
Energy: 1.620511184381582
Energy: 1.6825447408551377
Energy: 2.0005499068522816
Energy: 1.6346981626952917
Energy: 1.6843673915471242
Energy: 1.6786730769596638

minimum gb energy = 1.6121614386666019 eV
minimum distance =  2.18164302886811 Angstroms
sigma value = 437


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

Energy: 1.6368596066454915
Energy: 1.689501659784711
Energy: 1.6870264807270998
Energy: 1.7081356045800102
Energy: 1.7163401984714795
Energy: 1.6359337546614199
Energy: 1.7349317169315317
Energy: 1.7085126928342134
Energy: 1.6867041595821322
Energy: 1.647509592949404
Energy: 1.8528449201394672
Energy: 1.5961326768281066
Energy: 1.7090834755609212
Energy: 1.71707811725058
Energy: 1.7266223879040958
Energy: 1.6867375385162282
Energy: 1.7035398502518362
Energy: 1.707225662916106
Energy: 1.6403824778915652
Energy: 1.5976039565354583
Energy: 1.9554512983755035
Energy: 1.5981901783717833
Energy: 1.5954754299045855
Energy: 1.7076688872316657
Energy: 1.700573969383253
Energy: 1.7096373615766507
Energy: 1.70468321956897
Energy: 1.7115578736687909
Energy: 1.59925755660545
Energy: 1.7581356182914167
Energy: 1.7943237220468689
Energy: 1.6594592322227855
Energy: 1.6664700710465414
Energy: 1.737066645993727
Energy: 1.707780155635231
Energy: 1.6896617995398169
Energy: 1.7275205904839288
Energy: 1.715044011072142
Energy: 1.6320556511601398
Energy: 1.6380249669321243
Energy: 1.6971000028917127
Energy: 1.6573709506968057
Energy: 1.632030653345721
Energy: 1.715625771209096
Energy: 1.7561555754473732
Energy: 1.6894426766659085
Energy: 1.6894653780407691
Energy: 1.6072877506718963
Energy: 1.5973123955185302
Energy: 1.5982350742113751
Energy: 1.5994522363368817
Energy: 1.5956898128204962
Energy: 1.5969355704503716
Energy: 1.962880261255934
Energy: 1.7476275996236648
Energy: 1.6900020383898882
Energy: 1.6090155772018069
Energy: 1.738850174498837
Energy: 1.5986258177311183
Energy: 1.5980595816311183
Energy: 1.5988453848428923
Energy: 1.5897467155301686
Energy: 1.648177872297029
Energy: 1.7430035818638459
Energy: 1.6498107893115883
Energy: 1.5948658796993627
Energy: 1.643393185357047
Energy: 1.6435224960727919
Energy: 1.5888164315744406
Energy: 1.5966407051309297
Energy: 1.8631303928893463
Energy: 1.5898729336700645
Energy: 1.5891781710281756
Energy: 1.6480581628853381
Energy: 1.6430238882291344
Energy: 1.5923282290479934
Energy: 1.7294437027170384
Energy: 1.6092427085850685
Energy: 1.6830886726477639
Energy: 1.5897665921778423
Energy: 1.8637863459098956
Energy: 1.5953060038073243
Energy: 1.5964786110366753
Energy: 1.743353919100515
Energy: 1.6496070210533706
Energy: 1.6712168566974732
Energy: 1.7474302927968361
Energy: 1.7445726836007727
Energy: 1.5988974489933179
Energy: 1.5965882925161503
Energy: 1.9215664858384058
Energy: 1.5967815651338855
Energy: 1.595737638105366
Energy: 1.6469378727547028
Energy: 1.7071083378115992
Energy: 1.706526776493651
Energy: 1.725848521666863
Energy: 1.7131798465366486
Energy: 1.6526211713260743
Energy: 1.7166351706333332
Energy: 1.715744296696864
Energy: 1.6646750675867255
Energy: 1.7415134511647223
Energy: 1.728545477591644
Energy: 1.6980868328314613
Energy: 1.6938444864746545
Energy: 1.7159572029142043
Energy: 1.8167899562115328
Energy: 1.7302874872860599
Energy: 1.7526785591533511
Energy: 1.634610793413258
Energy: 1.7577463064284042
Energy: 1.6304485178901222
Energy: 1.748329170268438
Energy: 1.7359461547781336
Energy: 1.7529196837530483
Energy: 1.6977307924850342
Energy: 1.6968646524264384
Energy: 1.5958720665723216
Energy: 1.5945981365477147
Energy: 1.6462950563210699
Energy: 1.5973420442017758
Energy: 1.5976728877404394
Energy: 1.9234582931514828
Energy: 1.7163062830372509
Energy: 1.6952208933846564
Energy: 1.7080745565185722
Energy: 1.6966970046177752
Energy: 1.5977104076545803
Energy: 1.6405681556133709
Energy: 1.6304295104157172
Energy: 1.6883554912353138
Energy: 1.6896161977345878
Energy: 1.7067893871785276
Energy: 1.7161240027645195
Energy: 1.7062795906006232
Energy: 1.7342172506026454
Energy: 1.6969517471295967
Energy: 1.6858975297447119
Energy: 1.6483620378951016

minimum gb energy = 1.5888164315744406 eV
minimum distance =  2.1929442489244 Angstroms
sigma value = 33