Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.608116634190083
cohesive_energy=4.229961104259564
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.018570586873427584
Energy: 0.363697206365602
Energy: 0.3636972063626999
Energy: 0.018570586873427584
Energy: 0.363697206365602
Energy: 0.3636972063597978
Energy: 0.018570586873427584
Energy: 0.36369720636124886
Energy: 0.3636972063626999
Energy: 0.018570586873427584
Energy: 0.3607020496301284
Energy: 0.022101912851824817
Energy: 0.3605372946082868
Energy: 0.3607020496301284
Energy: 0.022101912854726877
Energy: 0.36053729460683576
Energy: 0.3607020496301284
Energy: 0.022101912853275844
Energy: 0.3605372946082868
Energy: 0.3607020496301284
Energy: 0.7379233107966656
Energy: 0.25848809098663067
Energy: 0.5312844752705752
Energy: 0.49712020320923156
Energy: 0.5368331183345153
Energy: 0.2584880910838169
Energy: 0.657463758345826
Energy: 0.9483937338311976
Energy: 0.2584880908807714
Energy: 0.7180143075235075
Energy: 0.3607020496301284
Energy: 0.3605372946097378
Energy: 0.02210191285037378
Energy: 0.3607020496286774
Energy: 0.3605372946082868
Energy: 0.022101912853275844
Energy: 0.3607020496301284
Energy: 0.3605372946111889
Energy: 0.022101912854726877
Energy: 0.3607020496301284
Energy: 0.018570586873427584
Energy: 0.36369720636705294
Energy: 0.3636972063583468
Energy: 0.018570586873427584
Energy: 0.36369720636124886
Energy: 0.3636972063641509
Energy: 0.018570586873427584
Energy: 0.3636972063626999
Energy: 0.3636972063626999
Energy: 0.018570586873427584
Energy: 0.3607020496301284
Energy: 0.022101912853275844
Energy: 0.3605372946053848
Energy: 0.3607020496301284
Energy: 0.022101912851824817
Energy: 0.36053729460683576
Energy: 0.3607020496301284
Energy: 0.022101912854726877
Energy: 0.36053729460683576
Energy: 0.3607020496286774
Energy: 0.8829564326033797
Energy: 0.25848809118970917
Energy: 1.3518179315420895
Energy: 0.7797991993394845
Energy: 0.2584880911055823
Energy: 0.853500849675916
Energy: 0.8748539968254174
Energy: 0.390489740064243
Energy: 0.6438183613910825
Energy: 0.7196599910082278

minimum gb energy = 0.018570586873427584 eV
minimum distance =  2.24347333287938 Angstroms
sigma value = 3


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

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Energy: 0.8702967478491529
Energy: 0.881243003376337
Energy: 0.8437672920717336
Energy: 0.8700639111840671
Energy: 0.8812427212323094
Energy: 1.0004454956761284
Energy: 0.8501169559044857
Energy: 0.8812431981635039
Energy: 0.8437672920670808
Energy: 0.9748316276089102
Energy: 1.0346046049286455
Energy: 0.9199831114785139
Energy: 0.9747848763234962
Energy: 1.0346046045520851
Energy: 0.919983111549535
Energy: 0.9747563514440096
Energy: 1.0346046047474418
Energy: 0.9199831092864887
Energy: 0.971636756557626
Energy: 1.141771268705677
Energy: 1.5427148437649059
Energy: 1.3197170705430084
Energy: 1.0526490248741072
Energy: 1.542714486040208
Energy: 1.319717344673542
Energy: 1.1417712773955837
Energy: 1.5427157508871376
Energy: 1.319717026475222
Energy: 1.0526490230729242
Energy: 0.8705677861948248
Energy: 0.9504802895404786
Energy: 0.6925130823012704
Energy: 0.8728985988516084
Energy: 0.950480309688952
Energy: 0.6925130823002363
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Energy: 0.9504803034052971
Energy: 0.6925130823005594
Energy: 0.8728888289493398
Energy: 0.6522998120478348
Energy: 0.9878286621322929
Energy: 0.9843843255655218
Energy: 0.6522998120478348
Energy: 1.0113328325074227
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Energy: 0.6522998120478348
Energy: 0.9878265865619671
Energy: 0.984294512471555
Energy: 0.6522998120513891
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Energy: 1.049091136829962
Energy: 1.094677195431101
Energy: 1.1652916364249553
Energy: 1.0481090643774293
Energy: 1.0945621211477492
Energy: 1.1653098681400818
Energy: 1.0490911613098828
Energy: 1.0945813433366107
Energy: 1.1653017602299003
Energy: 1.0455543954998567
Energy: 0.691973169598035
Energy: 1.2960628632588314
Energy: 1.0455543930310494
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Energy: 1.0455543953658923
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Energy: 1.2960982363433944
Energy: 1.0455543884683152
Energy: 0.8567980684179513
Energy: 0.904604990067374
Energy: 0.9679626990914518
Energy: 0.8565883126916667
Energy: 0.904604715787625
Energy: 0.9649557962110403
Energy: 0.8567154222663397
Energy: 0.9046037505061543
Energy: 0.9679626990914518
Energy: 0.8567986732345636
Energy: 0.9528423296738402
Energy: 0.8659466745718885
Energy: 0.8682934653231167
Energy: 0.8106791709894013
Energy: 0.864708105395959
Energy: 0.8733371871308077
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Energy: 0.8646950204320674
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Energy: 1.2585982302535788
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Energy: 1.1481602056054958
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Energy: 1.2656293082056589
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Energy: 1.0076168764605125
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Energy: 1.0034663509888482
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Energy: 1.0038275710500446
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Energy: 0.692713484033069
Energy: 0.8615687817684854
Energy: 0.9812938575042139
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Energy: 0.8586475978843238
Energy: 0.9817663227212138
Energy: 0.6927134840372696
Energy: 0.8697444179956486
Energy: 0.9818476329302182
Energy: 1.0322438585818587
Energy: 1.0074763911921214
Energy: 0.9559001487266807
Energy: 1.032243527035966
Energy: 1.0074763332474324
Energy: 0.8612171663853928
Energy: 1.0322436802358508
Energy: 1.0074765280992874
Energy: 0.9559000694870347
Energy: 1.0322436682703782
Energy: 0.9674554820229742
Energy: 1.1362267428531998
Energy: 1.2359168243833272
Energy: 0.9674823555964971
Energy: 1.138624023550077
Energy: 1.2359184615636527
Energy: 0.9671362590059375
Energy: 1.137597451782525
Energy: 1.2359359299402874
Energy: 0.9676487217769155
Energy: 0.9087101386417831
Energy: 0.8744002318871227
Energy: 0.8724655415611845
Energy: 0.7210758456281253
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Energy: 0.8724724998668054
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Energy: 0.8724567967143703
Energy: 0.7210761079959747
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Energy: 0.958032452300583
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Energy: 0.9580324522330517
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Energy: 0.9580324521478134
Energy: 0.8719862671109528
Energy: 0.8819788769705378
Energy: 0.9316716930358433
Energy: 0.8705917344157981
Energy: 0.6923055240433725
Energy: 0.9316726041843707
Energy: 0.873440816451792
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Energy: 0.9320653636789447
Energy: 0.8701478142235273
Energy: 0.692305524035553
Energy: 0.9320722885020901
Energy: 1.1981569223419586
Energy: 1.1303359900511563
Energy: 0.6874010012215651
Energy: 1.1981579084334524
Energy: 1.0519601876120368
Energy: 0.6874010041497155
Energy: 1.1981568643965586
Energy: 1.1303216404492624
Energy: 0.6874010012158783
Energy: 1.198157967658137
Energy: 0.6523751425087883
Energy: 1.0129145142711797
Energy: 0.996820886309765
Energy: 0.6523751425087883
Energy: 1.0147532050052397
Energy: 1.0185963630889314
Energy: 0.6523751425087883
Energy: 1.0129138153681503
Energy: 0.9967785832353522
Energy: 0.6523751425123426
Energy: 0.9457348450324187
Energy: 0.6929275329450532
Energy: 1.043463241770241
Energy: 0.945758272378036
Energy: 0.6929275329447301
Energy: 1.0434600997515016
Energy: 0.9457352155880898
Energy: 0.6929275329478966
Energy: 1.0434640216949065
Energy: 0.9458424330190476
Energy: 1.2328835411582182
Energy: 1.3055522186181252
Energy: 1.070843302089494
Energy: 1.232883565071521
Energy: 1.3055522181278922
Energy: 1.069846465282299
Energy: 1.232883532827165
Energy: 1.3055522213040027
Energy: 1.0781456059307775
Energy: 1.2328835701945398
Energy: 0.892585580403387
Energy: 1.0207434389225516
Energy: 0.9787388446955471
Energy: 0.8633494553336007
Energy: 1.0207532906110155
Energy: 0.9634481616060314
Energy: 0.8712299603254255
Energy: 1.0207431611470004
Energy: 0.9787395243215491
Energy: 0.8783273334161764
Energy: 0.934307467791284
Energy: 0.8575943214713674
Energy: 0.8812429388090431
Energy: 0.8069036838664676
Energy: 0.8694944238183336
Energy: 0.8812438841637632
Energy: 0.9343074677820429
Energy: 0.8598319440979297
Energy: 0.8812430569373635
Energy: 0.806903683868988
Energy: 0.9725347154433424
Energy: 1.0346046046657575
Energy: 0.9199831086576384
Energy: 0.9734002320131312
Energy: 1.0346046046053348
Energy: 0.9199831074497626
Energy: 0.9704063158126468
Energy: 1.0346046045698565
Energy: 0.9199831069985622
Energy: 1.0066573979589595
Energy: 1.1011538859368017
Energy: 1.5427144828289427
Energy: 1.319717580672852
Energy: 1.0601043431786605
Energy: 1.5427155073607537
Energy: 1.319717353466523
Energy: 1.101153908396983
Energy: 1.5427146522071633
Energy: 1.3197177023033724
Energy: 1.0601035953797024
Energy: 0.8745391446301759
Energy: 0.9504803881164114
Energy: 0.6925130823002363
Energy: 0.8704920129434706
Energy: 0.9504803784484297
Energy: 0.6925130823005594
Energy: 0.8745393111111361
Energy: 0.9504803880613525
Energy: 0.6925130823012704
Energy: 0.8704839743537626

minimum gb energy = 0.6522998120478348 eV
minimum distance =  2.24815235309082 Angstroms
sigma value = 75


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

Energy: 1.2917607922953245
Energy: 0.8427854540094918
Energy: 0.8370886773111108
Energy: 1.1416974854309363
Energy: 0.8427854538447951
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Energy: 0.8370783667505506
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Energy: 1.0598197701414764
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minimum gb energy = 0.8232435639433358 eV
minimum distance =  2.23338772794757 Angstroms
sigma value = 105


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

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Energy: 0.9249883401639059
Energy: 0.9506596996035463
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Energy: 1.0376759998749858
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Energy: 1.0615505698817465
Energy: 1.0306639864042488
Energy: 0.9224604991201426
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Energy: 1.0501319577016002
Energy: 0.9549387906002121
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Energy: 0.9379893491370865
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Energy: 0.9554458546139952
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Energy: 1.0795254146352093
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Energy: 1.0915228919351851
Energy: 1.1131367615080174
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Energy: 1.0956126500465155
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Energy: 1.0658198424846113
Energy: 0.9734446509095754
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Energy: 1.002560602715946
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Energy: 1.0826314588650607
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Energy: 1.01842974043318
Energy: 1.1305698378654454
Energy: 0.9950570968432565
Energy: 1.400089318569418
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Energy: 0.9672859673725662
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Energy: 1.163374123922083
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Energy: 1.1633817566966205
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Energy: 1.1633789613459051
Energy: 1.047791738372049
Energy: 1.169995685522411
Energy: 1.0833976920472062
Energy: 0.9648291287652032
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Energy: 1.082735189465771
Energy: 0.9583721032144111
Energy: 0.942813918093232
Energy: 1.0833972568449473
Energy: 0.9495804369542823
Energy: 0.9325436276618595
Energy: 1.082737240591857
Energy: 0.8958988287933816
Energy: 1.0110764619395756
Energy: 1.044451680871893
Energy: 0.91729082307313
Energy: 1.006596320122786
Energy: 1.0445721779957964
Energy: 0.8952119110559652
Energy: 0.9930994906579375
Energy: 1.044315475017371
Energy: 0.8993857493723153
Energy: 0.9662946650134414
Energy: 1.1140262414265376
Energy: 0.9953199602968117
Energy: 0.9690976563957445
Energy: 1.1093288340823375
Energy: 1.0299593723192584
Energy: 0.9662846113580813
Energy: 1.1149918199046296
Energy: 1.001190810016219
Energy: 0.9661768797298171
Energy: 0.9059331615529359
Energy: 0.9707216093758745
Energy: 1.108057881523319
Energy: 0.9027248992172047
Energy: 0.9693084711216083
Energy: 1.1080477503146389
Energy: 0.9032904823914909
Energy: 0.9691553748429462
Energy: 1.108061899140561
Energy: 0.8991767375088583
Energy: 1.1169065671390084
Energy: 1.073427197768602
Energy: 1.000375301775774
Energy: 1.1169052709215275
Energy: 1.0386892447925298
Energy: 0.9990167317503023
Energy: 1.1169059230521758
Energy: 1.0734312880694743
Energy: 0.9958645287777858
Energy: 1.1169080388669907
Energy: 1.036519188244648
Energy: 0.9945798488890811
Energy: 1.287267863527943
Energy: 1.0458262735864958
Energy: 1.0729008541725122
Energy: 1.2904281104045412
Energy: 1.0277266893250512
Energy: 1.0747152318227227
Energy: 1.2863774378215633
Energy: 1.03299432983295
Energy: 0.9757910181352172
Energy: 1.0850188224124553
Energy: 0.9926209429497629
Energy: 0.9803811715058274
Energy: 0.9738170629835823
Energy: 0.9956873508994449
Energy: 0.9746264755123317
Energy: 1.0850188224104989
Energy: 0.9919494456393214
Energy: 0.9801523500020357

minimum gb energy = 0.8446712481494102 eV
minimum distance =  2.22562836977836 Angstroms
sigma value = 165


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

Energy: 1.1444945046914075
Energy: 1.0623335602376192
Energy: 1.0756116340062263
Energy: 1.0795375484199126
Energy: 1.0623335603202377
Energy: 1.0756116340122102
Energy: 1.1444945045141404
Energy: 1.0623335603148643
Energy: 1.0756116339504753
Energy: 1.0795375484125238
Energy: 1.0425518051136657
Energy: 1.0136269510263174
Energy: 1.0549704470108334
Energy: 1.0425419705291978
Energy: 1.0136269507449984
Energy: 1.0616599813366736
Energy: 1.043935471406727
Energy: 1.0136269512170182
Energy: 1.052596045677846
Energy: 1.0423678554270728
Energy: 1.0490505233362384
Energy: 1.1067151581720942
Energy: 1.0261644753643708
Energy: 1.0356201472000435
Energy: 1.1067140797572939
Energy: 1.025349629718578
Energy: 1.0511014383317665
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Energy: 1.0479794794955453
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Energy: 1.05399661794722
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Energy: 0.9600346284384977
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Energy: 0.9920783509608747
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Energy: 0.9920302390316531
Energy: 0.9925356559790016
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Energy: 1.1448146687376672
Energy: 1.03885132195499
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Energy: 1.1448146589164192
Energy: 1.0400257506516293
Energy: 1.1768611580757395
Energy: 1.1448146613166976
Energy: 1.0399499535786012
Energy: 1.1797612296937001
Energy: 1.1448146609051306
Energy: 1.1100530673389775
Energy: 1.0368112512618997
Energy: 1.1430295615339199
Energy: 1.0148817210644498
Energy: 1.0368089096976176
Energy: 1.1431541224126456
Energy: 1.1100530673362905
Energy: 1.0368044846534716
Energy: 1.1432532736952088
Energy: 1.0148817210657932
Energy: 1.1646714529132778
Energy: 0.9524881565674661
Energy: 1.1634573579042795
Energy: 1.0585277568608036
Energy: 0.9536702051834205
Energy: 1.0986631785602514
Energy: 1.164671784114964
Energy: 0.9524903936499557
Energy: 1.1634597772171802
Energy: 1.058527885695519
Energy: 1.0579530242422297
Energy: 1.0249244883110895
Energy: 0.968390536423305
Energy: 1.057953178440406
Energy: 1.0249244883137762
Energy: 0.968390402470564
Energy: 1.0579530145177063
Energy: 1.024924488314448
Energy: 0.9683904300388395
Energy: 1.0579530999954814
Energy: 1.104247048323089
Energy: 1.0414127439998702
Energy: 1.1326950897886012
Energy: 1.0959601137751984
Energy: 1.0363216818856107
Energy: 1.130380895949
Energy: 1.1090533761490746
Energy: 1.041009232159673
Energy: 1.125418861570993
Energy: 1.1092109056776398
Energy: 1.0670257289469114
Energy: 1.1302398604791903
Energy: 1.0316326218951763
Energy: 1.0618683584797493
Energy: 1.1267786785243321
Energy: 1.031632622314071
Energy: 1.0588697189293599
Energy: 1.1295834500802355
Energy: 1.0316326215789293
Energy: 1.05982248124088
Energy: 1.0795375484152108
Energy: 1.0623335617711034
Energy: 1.0756116324673684
Energy: 1.0795375484178973
Energy: 1.0623335618087182
Energy: 1.0756116322363656
Energy: 1.0795375484178973
Energy: 1.062333561880529
Energy: 1.0756116324351268
Energy: 1.0795375484125238

minimum gb energy = 0.9524881565674661 eV
minimum distance =  2.26671561973065 Angstroms
sigma value = 41


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

Energy: 1.420663400593066
Energy: 0.9597411200032904
Energy: 0.9837563100171672
Energy: 1.2984039228026352
Energy: 0.9597309748978063
Energy: 0.9793588743990567
Energy: 1.420663400621686
Energy: 0.9597413986936438
Energy: 0.983758864551783
Energy: 1.2983997335646495
Energy: 1.0124964833298893
Energy: 0.747510373544823
Energy: 0.941457592380419
Energy: 0.9975209931306489
Energy: 0.7459260514406743
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Energy: 1.0124979438518118
Energy: 0.7475122441257674
Energy: 0.942203869542595
Energy: 0.9891067133996451
Energy: 1.0403011025232252
Energy: 0.7578607543516291
Energy: 0.9261644647863477
Energy: 1.0593785477965267
Energy: 0.7578772041122103
Energy: 0.9218295957385952
Energy: 1.034243813222023
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Energy: 0.8922763523303805
Energy: 1.0415941942916542
Energy: 0.9928011961900125
Energy: 0.8935548022931313
Energy: 0.8259181840255714
Energy: 0.9928012270276753
Energy: 0.8928802919063424
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Energy: 0.9928013465359447
Energy: 0.889365198978609
Energy: 0.8259178724787053
Energy: 0.9928013405132752
Energy: 0.9368883172090695
Energy: 1.0028573216928314
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Energy: 0.9370188957282799
Energy: 1.002538925110261
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Energy: 0.9369468963184326
Energy: 1.0007896358439656
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Energy: 0.9403058369344254
Energy: 0.8323480804972315
Energy: 0.9286994569992434
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Energy: 0.7527707873347734
Energy: 1.0059877301777662
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Energy: 0.7527634256627872
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Energy: 0.9541528943029995
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Energy: 1.0457410385527655
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Energy: 1.045743868323524
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Energy: 0.921757179547998
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Energy: 1.0755888325176512
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Energy: 0.8879964624592736
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Energy: 1.04704326215869
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Energy: 1.0527005488576906
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Energy: 1.035988262164736
Energy: 0.8229215451608874
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Energy: 0.9693069328645357
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Energy: 0.9271200127458942
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Energy: 0.9604893266626986
Energy: 1.0274938389815031
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Energy: 0.9745578214658154
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Energy: 0.9485957614766292
Energy: 1.0223829166300495
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Energy: 1.1143834249025613
Energy: 0.7734640357243979
Energy: 0.9152203982947227
Energy: 0.9641527915496155
Energy: 0.8935808063526087
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Energy: 0.806224920167991
Energy: 1.0034056306890293
Energy: 1.1516391701915771
Energy: 0.8062249542149833
Energy: 1.0034056252368175
Energy: 1.1030270453504776
Energy: 1.0336617165612463
Energy: 0.9336800106320855
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Energy: 1.0336621252058031
Energy: 0.9336859147492036
Energy: 1.1030276407924213
Energy: 1.033660357768722
Energy: 0.9336806978783876
Energy: 1.112919244995023
Energy: 1.0278846667697656
Energy: 0.762730265997894
Energy: 0.9481736661290687
Energy: 1.0261566575204888
Energy: 0.7614325983652069
Energy: 0.9481797155463686
Energy: 1.0276570324347527
Energy: 0.7629770589258279
Energy: 0.9484273308222925
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Energy: 0.9291141624389717
Energy: 0.9661293741796748
Energy: 0.8859955801641276
Energy: 0.9294215030771426
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Energy: 0.8860105920817011
Energy: 0.9271621424542272
Energy: 0.9642801945672217
Energy: 1.107020136096782
Energy: 0.8240494407473165
Energy: 0.9581177980925446
Energy: 1.1071335846972117
Energy: 0.8236900137624862
Energy: 0.9620842740358484
Energy: 1.1070953342690262
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Energy: 0.9332327779923765
Energy: 0.8237743965870912
Energy: 0.8149779709796303
Energy: 0.8476262058620381
Energy: 0.8092518518921846
Energy: 0.8149779844395292
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Energy: 0.9089484163745049
Energy: 0.9955147126863239
Energy: 0.8652566541853853
Energy: 0.9037711310160843
Energy: 0.9955147192378008
Energy: 0.8653717707364276
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Energy: 0.9955144224273156
Energy: 0.8627510630506166
Energy: 0.969851176096788
Energy: 0.7483634520307872
Energy: 1.0655654368638618
Energy: 0.969850738484916
Energy: 0.7483640100444519
Energy: 1.065846800488442
Energy: 0.9698513108572149
Energy: 0.7483634678299477
Energy: 1.0772905232059449
Energy: 0.9698512909473833
Energy: 0.9688075207401811
Energy: 0.9778046333716913
Energy: 1.0748652049412195
Energy: 0.9693101065896602
Energy: 0.9778052849872327
Energy: 1.0828161598925565
Energy: 0.9673375686958754
Energy: 0.9777833992360031
Energy: 1.073651744821057
Energy: 0.9692846599015076
Energy: 0.7453800076649238
Energy: 0.9815673635081049
Energy: 1.0347703947698152
Energy: 0.7447060911102491
Energy: 0.9831422301730762
Energy: 1.0880868698492345
Energy: 0.7447132838158896
Energy: 0.9807356869570557
Energy: 1.0426657983072523
Energy: 0.7444933893817607
Energy: 0.7489518291038318
Energy: 0.9089849250971072
Energy: 0.9972381689190403
Energy: 0.7488491425418239
Energy: 0.8871450632789686
Energy: 0.9959306372937857
Energy: 0.7492504949165943
Energy: 0.9084744165949226
Energy: 0.997325688961023
Energy: 0.7484408836878862
Energy: 0.8868389170772661
Energy: 0.8139435435841335
Energy: 0.9248073503088153
Energy: 0.8660065102552138
Energy: 0.8215225910006155
Energy: 0.9257754234930784
Energy: 0.818733572456359
Energy: 0.8139517782134794
Energy: 0.8708964177279627
Energy: 0.8507716343386665
Energy: 1.0029018175311697
Energy: 0.8389629678065441
Energy: 1.0196347529321335
Energy: 1.0044008492983083
Energy: 0.8451247378270987
Energy: 1.0196300998476058
Energy: 0.9985250887632879
Energy: 0.8389634690682876
Energy: 1.0196408873913603
Energy: 1.0096859479992222
Energy: 0.9672173152305806
Energy: 0.9596700504138398
Energy: 0.8350992748457248
Energy: 0.9244057675117621
Energy: 0.9354798775170731
Energy: 0.8350999674713145
Energy: 0.9272794685790791
Energy: 0.9353549422426848
Energy: 0.8350992752129996
Energy: 0.9244264736117576

minimum gb energy = 0.7444933893817607 eV
minimum distance =  2.23990974019635 Angstroms
sigma value = 185


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

Energy: 0.681862395291408
Energy: 0.4145028976847711
Energy: 0.4055363609190008
Energy: 0.5616523606276344
Energy: 0.4145028976847711
Energy: 0.4055363609186633
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Energy: 0.6449263405012692
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Energy: 0.4028910353603602
Energy: 0.34985126213971407
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Energy: 0.5612070817604766
Energy: 0.6993640938931249
Energy: 0.40323569547166904
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Energy: 0.7513488988018765
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Energy: 0.35616164239978804
Energy: 0.4028225597776824
Energy: 0.5612505253872985
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Energy: 0.40282255977492626
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Energy: 0.4028225597718327
Energy: 0.5612505253854424
Energy: 0.650242647333246
Energy: 0.4544297624615914
Energy: 0.4054473037649984
Energy: 0.65024264733049
Energy: 0.4544297624655849
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Energy: 0.4544297624643476
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Energy: 0.5616523606279719
Energy: 0.41450289768572735
Energy: 0.4055363609192821
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Energy: 0.41450289768448995
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Energy: 0.5616523606276344
Energy: 0.4145028976795401
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Energy: 0.6449263405021691
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Energy: 0.4028910353606977
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Energy: 0.40289103536317256
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Energy: 0.40289103536441
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Energy: 0.69936409389065
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Energy: 0.47230797317707224
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Energy: 0.6993640938931249
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Energy: 0.650157536806708
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Energy: 0.6499832209277222
Energy: 0.46511409814627663
Energy: 0.40212810993507003
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Energy: 0.6499832209363843
Energy: 0.46511409815589494
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Energy: 0.6499832209298596
Energy: 0.7513488988021578
Energy: 0.41390910339373216
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Energy: 0.7513488988037327
Energy: 0.3508693458810769
Energy: 0.4064558061548779
Energy: 0.751348898804014
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Energy: 0.7513488988021578
Energy: 0.6004562011458109
Energy: 0.47460054170149335
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Energy: 0.6004562011498045
Energy: 0.4746005417012121
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Energy: 0.4746005416965436
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Energy: 0.5612505253882547
Energy: 0.356161642405019
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Energy: 0.35065398580353807
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Energy: 0.7518475600616202
Energy: 0.5206213770836432
Energy: 0.4657085386687507
Energy: 0.7518475600650514
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Energy: 0.5332811087675562
Energy: 0.46570853866380096
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Energy: 0.6499832209273847
Energy: 0.46511409814661403
Energy: 0.4021281099075088
Energy: 0.649983220933572
Energy: 0.46511409814998894
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Energy: 0.6499832209357657
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Energy: 0.7513488988018765
Energy: 0.3508693458826518
Energy: 0.40645580615515914
Energy: 0.7513488988033952
Energy: 0.3508693458816956
Energy: 0.4064558061548779
Energy: 0.7513488988037327
Energy: 0.3508693458878828
Energy: 0.4064558061594902
Energy: 0.7513488988018765
Energy: 0.6004562011458109
Energy: 0.4746005417012121
Energy: 0.40667451116741776
Energy: 0.6004562011498045
Energy: 0.4746005417008747
Energy: 0.40667451117174885
Energy: 0.6004562011470482
Energy: 0.47460054169626237
Energy: 0.40667451117174885
Energy: 0.6004562011436172
Energy: 0.5612505253882547
Energy: 0.356161642406594
Energy: 0.4028225597783011
Energy: 0.5612505253872985
Energy: 0.3561616424068752
Energy: 0.40282255977492626
Energy: 0.5612505253823488
Energy: 0.35616164241278114
Energy: 0.40282255977149517
Energy: 0.5612505253854424
Energy: 0.6502426473326273
Energy: 0.45442976246097266
Energy: 0.4054473037646609
Energy: 0.6502426473301525
Energy: 0.4544297624680599
Energy: 0.4054473037687107
Energy: 0.6502426473344834
Energy: 0.4544297624643476
Energy: 0.4054473037705669
Energy: 0.6502426473342022

minimum gb energy = 0.34985126213971407 eV
minimum distance =  2.39889587264345 Angstroms
sigma value = 33


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

Energy: 0.8340933345893103
Energy: 0.8575702905011698
Energy: 0.8540161446335561
Energy: 0.9314100788039156
Energy: 0.85757028636086
Energy: 0.8540161445978918
Energy: 0.8374268543764924
Energy: 0.8575702885116534
Energy: 0.8540161445978918
Energy: 0.9314101761550054
Energy: 0.9273813947258813
Energy: 0.7582224473975927
Energy: 0.8223921432001392
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Energy: 0.8223909585396376
Energy: 0.9273790487071177
Energy: 0.7563500105620645
Energy: 0.8223931108866285
Energy: 0.9273886571727069
Energy: 0.8150054861156545
Energy: 0.8090749388827077
Energy: 0.8616197042068546
Energy: 0.8272614289162427
Energy: 0.8090749809887199
Energy: 0.8197844356016061
Energy: 0.8258964531435056
Energy: 0.8090749326170478
Energy: 0.8159744220530464
Energy: 0.8403182109607399
Energy: 0.9486436614013858
Energy: 0.8092424469907916
Energy: 0.9792870619101651
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Energy: 0.8065163777312482
Energy: 0.980244509417351
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Energy: 0.8046618143402644
Energy: 0.9819513535276897
Energy: 0.9486442583277712
Energy: 0.8717670523012776
Energy: 0.7900307005805997
Energy: 0.8104709613720084
Energy: 0.8713837378673573
Energy: 0.7900306909928416
Energy: 0.8102219412167317
Energy: 0.8748922713866194
Energy: 0.7900306994670064
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Energy: 0.893580135821132
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Energy: 1.0451706971952062
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Energy: 0.8659346870336665
Energy: 0.8340957532162376
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Energy: 0.7671649127675101
Energy: 0.886609318664218
Energy: 0.9801973398795027
Energy: 0.7673083420413818
Energy: 0.8584262635438061
Energy: 0.9137437314909256
Energy: 0.7632328347831715
Energy: 0.8864002572139449
Energy: 0.9789392742287094
Energy: 0.7689432827413364
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Energy: 0.8245270397117747
Energy: 0.8132855496708065
Energy: 0.8025513744703497
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Energy: 0.8005010720961024
Energy: 0.8025996063721224
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Energy: 0.8025512608652274
Energy: 0.7601282807101816
Energy: 0.8704547327540102
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Energy: 0.8798605063688252
Energy: 0.8319936986181967
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Energy: 0.8320643670204461
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Energy: 0.8479397152931024
Energy: 0.9008868970661043
Energy: 0.8773361790459585
Energy: 0.8479397120219224
Energy: 0.8651611616937477
Energy: 0.8773361789593759
Energy: 0.847939713132119
Energy: 0.9016021911049021
Energy: 0.8773361790018025
Energy: 0.8479397198068847
Energy: 0.8176721518351541
Energy: 0.8304678710403807
Energy: 0.7650843019997421
Energy: 0.8176721482906707
Energy: 0.8262152629687863
Energy: 0.7653342574250902
Energy: 0.8176721537720848
Energy: 0.8335486296972021
Energy: 0.7653218844217715
Energy: 0.8176721495400664
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Energy: 0.8816892396313831
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Energy: 0.7948997170178399
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Energy: 0.8689555573469012
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Energy: 0.8633226073507324
Energy: 0.8778267572080093
Energy: 0.9631143585600922
Energy: 0.8633233855431528

minimum gb energy = 0.7455056177871642 eV
minimum distance =  2.24953804449642 Angstroms
sigma value = 219


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

Energy: 1.2785860701692222
Energy: 1.4202348208458082
Energy: 1.1899419089813938
Energy: 1.278586077934613
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Energy: 1.2909291657338142
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Energy: 1.1932922359940774
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Energy: 1.105792986535744
Energy: 1.153622444948177
Energy: 1.2603887056179108
Energy: 1.105796518327729
Energy: 1.153625130873252

minimum gb energy = 1.066700728821988 eV
minimum distance =  2.25145132045921 Angstroms
sigma value = 15


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

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Energy: 1.3564733727612335
Energy: 1.406092857652872
Energy: 1.4517383871857532
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Energy: 1.3969555352781051
Energy: 1.4154261188889348
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minimum gb energy = 1.2368735212992739 eV
minimum distance =  2.23351508058249 Angstroms
sigma value = 293


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

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Energy: 1.3471127552921014
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Energy: 1.6921853123546626
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Energy: 1.476759120715816
Energy: 1.3946054527779557
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Energy: 1.3946054923921842
Energy: 1.2875171797124894
Energy: 1.3062124064106038
Energy: 1.2214271695366883
Energy: 1.3906383268147982
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Energy: 1.3666448543878045
Energy: 1.31530997489923
Energy: 1.221428149176968
Energy: 1.3906397294862318
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Energy: 1.4057174567886095
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Energy: 1.321222937808823
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Energy: 1.5105412607601227
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Energy: 1.3428666446994406
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Energy: 1.3892599463831452
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Energy: 1.2561331409145986
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Energy: 1.2561331409222152
Energy: 1.3893694625599664
Energy: 1.4872721335935368
Energy: 1.2561331409183838
Energy: 1.2890407788639269
Energy: 1.312863907164156
Energy: 1.484064754732914
Energy: 1.4968480173357974
Energy: 1.312863904694019
Energy: 1.3930900538109752
Energy: 1.497413456857228
Energy: 1.312863905498442
Energy: 1.4839481123915104
Energy: 1.4969985018152339
Energy: 1.3128639047609967
Energy: 1.5575341036277202
Energy: 1.2954915893994485
Energy: 1.2951154848607425
Energy: 1.5575341036510768
Energy: 1.2954913195603877
Energy: 1.2937318367135646
Energy: 1.5575341036399064
Energy: 1.2954916602488376
Energy: 1.293620334375394
Energy: 1.5575341036368597
Energy: 1.324627837671873
Energy: 1.4939898369815263
Energy: 1.5439221415818565
Energy: 1.3246278399059959
Energy: 1.493990180106416
Energy: 1.5439307436592498
Energy: 1.3246274218745686
Energy: 1.49399030897939
Energy: 1.5439260725533428
Energy: 1.3246274338466975
Energy: 1.28646455143959
Energy: 1.2424064619867334
Energy: 1.487284636273071
Energy: 1.2856974205877139
Energy: 1.2424064619760704
Energy: 1.4872846362380359
Energy: 1.2925791150863177
Energy: 1.2424064620045046
Energy: 1.4872846360035914
Energy: 1.2914250218738406
Energy: 1.6921852994552806
Energy: 1.3471127569735097
Energy: 1.3092214865785428
Energy: 1.6921853044915196
Energy: 1.347112758816384
Energy: 1.3092214866501364
Energy: 1.6921852996070532
Energy: 1.3471127570382253
Energy: 1.3092214861804168
Energy: 1.6921853071804063
Energy: 1.2875171938867982
Energy: 1.47639858421734
Energy: 1.3946054437637316
Energy: 1.287517183719693
Energy: 1.476521438860192
Energy: 1.3946054597709447
Energy: 1.28751720953669
Energy: 1.4772403236297722
Energy: 1.3946054553973262
Energy: 1.2875172150348015

minimum gb energy = 1.2214271695366883 eV
minimum distance =  2.25159976729265 Angstroms
sigma value = 293


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

Energy: 1.4889522746964465
Energy: 1.3790269523226009
Energy: 1.3798864487160003
Energy: 1.4889522778987636
Energy: 1.3790269533252437
Energy: 1.3798864819967704
Energy: 1.488952275485346
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Energy: 1.3326158289384813
Energy: 1.3836479152858963
Energy: 1.3824324007467368
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Energy: 1.3836479112992686
Energy: 1.547012960378361
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Energy: 1.505376790415868
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Energy: 1.3455038243508348
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Energy: 1.3824324007632556
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Energy: 1.4051418938545817
Energy: 1.5046959059183849
Energy: 1.366254477258682
Energy: 1.4051418938554996
Energy: 1.5046959059032425
Energy: 1.3666565542238382
Energy: 1.4051418938642175
Energy: 1.5046959059165494
Energy: 1.3662169194481375
Energy: 1.488952279665027
Energy: 1.3790269559551582
Energy: 1.3718373108926911
Energy: 1.4889522766961845
Energy: 1.3790269552575298
Energy: 1.36757687376454
Energy: 1.4889522787541554
Energy: 1.3790269576567646
Energy: 1.3718610808120424
Energy: 1.4889522791522758
Energy: 1.3455041818724174
Energy: 1.5053767904172444
Energy: 1.3842126282587064
Energy: 1.3361082180979345
Energy: 1.5053767904167854
Energy: 1.3842126284430831
Energy: 1.3455023372608168
Energy: 1.5053767904144912
Energy: 1.3842126286582035
Energy: 1.3414100390444055
Energy: 1.3836480102879811
Energy: 1.3824324007934985
Energy: 1.5723829312201578
Energy: 1.383647993109149
Energy: 1.382432400632064
Energy: 1.5723829311591715
Energy: 1.3836479679401255
Energy: 1.3824324005059205
Energy: 1.5723829311743138
Energy: 1.383648008650156
Energy: 1.5470129398123758
Energy: 1.4168125009931023
Energy: 1.4422751552084514
Energy: 1.547012949873845
Energy: 1.416812505253959
Energy: 1.442274876997525
Energy: 1.5470129508636399
Energy: 1.4168125023016356
Energy: 1.4422748461357209
Energy: 1.5470129656950882
Energy: 1.405141893853664
Energy: 1.5046959059027838
Energy: 1.3674765156279787
Energy: 1.4051418938610056
Energy: 1.5046959059206793
Energy: 1.3657260036983996
Energy: 1.405141893859629
Energy: 1.5046959059046192
Energy: 1.3665541419590552
Energy: 1.4051418938614644
Energy: 1.3790269565692752
Energy: 1.3798843466241462
Energy: 1.4889522763210068
Energy: 1.37902695603404
Energy: 1.3798846600843364
Energy: 1.4889522766805834
Energy: 1.37902695688209
Energy: 1.3699944528988524
Energy: 1.4889522819725325
Energy: 1.3790269571934868
Energy: 1.505376790418162
Energy: 1.3842126302290774
Energy: 1.343405755319166
Energy: 1.5053767904167854
Energy: 1.384212630485036
Energy: 1.3455688352753516
Energy: 1.505376790415868
Energy: 1.3842126288269792
Energy: 1.3449835444539342
Energy: 1.5053767904163264

minimum gb energy = 1.3326158289384813 eV
minimum distance =  2.26305664693718 Angstroms
sigma value = 15


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

Energy: 1.3634820903085478
Energy: 1.5637641955643886
Energy: 1.4478028920454977
Energy: 1.3562547209659073
Energy: 1.5637637708508485
Energy: 1.406313715222759
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Energy: 1.406392463879873
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Energy: 1.3285993530995044
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Energy: 1.1946365489157977
Energy: 1.3669431505550016
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Energy: 1.1985632339093222
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Energy: 1.1946345699908156
Energy: 1.3669836777990707
Energy: 1.284551074389029
Energy: 1.1985635776245467
Energy: 1.3875488114034802
Energy: 1.1705164746902246
Energy: 1.3300212097865725
Energy: 1.3865168545464073
Energy: 1.1705165250223213
Energy: 1.3300212729070067
Energy: 1.3896885222796693
Energy: 1.1705164746881447
Energy: 1.3300212596508985
Energy: 1.3927276429391486
Energy: 1.4022486777514962
Energy: 1.312271397858183
Energy: 1.4155801068330816
Energy: 1.4028769555199072
Energy: 1.31294246326369
Energy: 1.4155801944428117
Energy: 1.4018858918847763
Energy: 1.3122879104306355
Energy: 1.4155801785670896
Energy: 1.4018860731418383
Energy: 1.2588891578199344
Energy: 1.2906368675296596
Energy: 1.2764567255657187
Energy: 1.25267651612555
Energy: 1.2955958315667284
Energy: 1.2764453948221999
Energy: 1.2588891699076186
Energy: 1.290637934335454
Energy: 1.2764561648459516
Energy: 1.2526764292622332
Energy: 1.2757324513725445
Energy: 1.2153653594350193
Energy: 1.3047207941666645
Energy: 1.2757322435866254
Energy: 1.2153653727077678
Energy: 1.3039753439809294
Energy: 1.2757312110812447
Energy: 1.215365359478699
Energy: 1.3047223474966076
Energy: 1.2757315060195233
Energy: 1.5185924195056704
Energy: 1.3698806664158325
Energy: 1.3297801777653395
Energy: 1.5185928604379795
Energy: 1.369880404374618
Energy: 1.3590760579310788
Energy: 1.5185919497720604
Energy: 1.3698880559189666
Energy: 1.3297801777715794
Energy: 1.5185979459147636
Energy: 1.1652377515908834
Energy: 1.3438569134748635
Energy: 1.3768157695058223
Energy: 1.1652377589569933
Energy: 1.343856535211783
Energy: 1.3768186870394057
Energy: 1.1652377516470054
Energy: 1.343856282056507
Energy: 1.3768158797150079
Energy: 1.1652377589216334
Energy: 1.3459345538498306
Energy: 1.287955759911995
Energy: 1.3746963568157105
Energy: 1.3165239717568076
Energy: 1.287955089974781
Energy: 1.3746939277293957
Energy: 1.342658700256095
Energy: 1.287954811267751
Energy: 1.374699001621626
Energy: 1.3197224776944143
Energy: 1.3407990303142143
Energy: 1.3458289634592355
Energy: 1.3291430455446904
Energy: 1.3279569337695147
Energy: 1.3458289597481197
Energy: 1.3271402455077204
Energy: 1.3391242330216355
Energy: 1.3458290171531613
Energy: 1.3291430458253755
Energy: 1.3228225781675342
Energy: 1.2032198368218856
Energy: 1.405188882353618
Energy: 1.3157431382363058
Energy: 1.2032196514399787
Energy: 1.4051559739023955
Energy: 1.3157435612034116
Energy: 1.2032195011526627
Energy: 1.4051558083921716
Energy: 1.3157450187591393
Energy: 1.2032192707111282
Energy: 1.4693865989548602
Energy: 1.3120766830370498
Energy: 1.3679324250921443
Energy: 1.4723251113595037
Energy: 1.3120766830453698
Energy: 1.3679507725000248
Energy: 1.470773384056363
Energy: 1.31207668303289
Energy: 1.3679243251516173
Energy: 1.4721936513790825
Energy: 1.29063923093462
Energy: 1.4219325104790805
Energy: 1.211779226383092
Energy: 1.290613600760723
Energy: 1.4219255065531373
Energy: 1.2069473631773353
Energy: 1.2906423081133886
Energy: 1.4219326779685462
Energy: 1.211779210328567
Energy: 1.2906179182515916
Energy: 1.313140494860253
Energy: 1.3586282694356813
Energy: 1.2828351131299396
Energy: 1.3131405154970315
Energy: 1.3586282838831316
Energy: 1.2828351131236997
Energy: 1.313140508334647
Energy: 1.3586282618824481
Energy: 1.2828351105144482
Energy: 1.3131405222186474
Energy: 1.3959863064311073
Energy: 1.3554800969205263
Energy: 1.338173162493289
Energy: 1.395986475014193
Energy: 1.3554800492746029
Energy: 1.346252619342513
Energy: 1.395988573269225
Energy: 1.3554800349685538
Energy: 1.3383011900096857
Energy: 1.395990136950818
Energy: 1.528331461465855
Energy: 1.3093136996096928
Energy: 1.2039514494145727
Energy: 1.5287781875029753
Energy: 1.3093128383777315
Energy: 1.2039499799042044
Energy: 1.528350226757538
Energy: 1.309311689546561
Energy: 1.2039730127767074
Energy: 1.5283048272469117
Energy: 1.2038965497549852
Energy: 1.3194428051713014
Energy: 1.3271985327025173
Energy: 1.2038965576845453
Energy: 1.31996377845851
Energy: 1.3271994090368233
Energy: 1.2038965411580516
Energy: 1.3194589989274697
Energy: 1.3271987204566702
Energy: 1.20389653668392
Energy: 1.3588089711342743
Energy: 1.2580763091069684
Energy: 1.3133847856979548
Energy: 1.3586507336748923
Energy: 1.2588278966788184
Energy: 1.3062274511684493
Energy: 1.3591161651078865
Energy: 1.2580823144932172
Energy: 1.3126221834732907
Energy: 1.360535159448048
Energy: 1.5304014213159145
Energy: 1.22576525990176
Energy: 1.2484448319257164
Energy: 1.5300086160837383
Energy: 1.2257649643251896
Energy: 1.248449582618937
Energy: 1.5303874429701432
Energy: 1.2257648439493973
Energy: 1.2484514360619436
Energy: 1.5300145788657673
Energy: 1.2782470823713985
Energy: 1.5660228260460838
Energy: 1.2766306117806197
Energy: 1.278247017396446
Energy: 1.5660231177930168
Energy: 1.2766305562196962
Energy: 1.2782470454284918
Energy: 1.566022684432661
Energy: 1.2766306057284575
Energy: 1.2782470695373385
Energy: 1.3038821646591578
Energy: 1.2823876494363156
Energy: 1.5063167014354732
Energy: 1.3005390385117255
Energy: 1.2951203624419798
Energy: 1.5063094549865887
Energy: 1.3035992195534547
Energy: 1.2823876490787087
Energy: 1.5063191331830006
Energy: 1.3038452639223965
Energy: 1.3069905365711654
Energy: 1.3284429549200318
Energy: 1.42112233516053
Energy: 1.3084704046781035
Energy: 1.3284429553504007
Energy: 1.4211223331729306
Energy: 1.3061172087696231
Energy: 1.328442954957434
Energy: 1.4211223501360328
Energy: 1.3064206195534027
Energy: 1.2604278244042266
Energy: 1.3893549242469423
Energy: 1.305340275596398
Energy: 1.2623217203550297
Energy: 1.3893549291784821
Energy: 1.2998944914618107
Energy: 1.261619495863323
Energy: 1.3893549293905654
Energy: 1.305340275637998
Energy: 1.2622760038305993
Energy: 1.1987177152312432
Energy: 1.2489113241076908
Energy: 1.3967846203922043
Energy: 1.1987177162874236
Energy: 1.2489113251597113
Energy: 1.396747204764521
Energy: 1.1987177155597302
Energy: 1.2489113250203898
Energy: 1.3967953813283338
Energy: 1.1987177141750627
Energy: 1.2970132361522222
Energy: 1.3634473224900945
Energy: 1.380118178737737
Energy: 1.2764852024787028
Energy: 1.363447327862403
Energy: 1.3801181810787833
Energy: 1.3005828863103372
Energy: 1.3634473316442384
Energy: 1.3801181822492876
Energy: 1.3007900979170828

minimum gb energy = 1.1652377515908834 eV
minimum distance =  2.23589628991714 Angstroms
sigma value = 437


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

Energy: 1.1990605021015273
Energy: 1.319312605342556
Energy: 1.3183971268481505
Energy: 1.1990605020053586
Energy: 1.3193126008524554
Energy: 1.3183972648703672
Energy: 1.1990605019030587
Energy: 1.3193125794055236
Energy: 1.3183968967370898
Energy: 1.1990605020712162
Energy: 1.3377930458252532
Energy: 1.1440331218211786
Energy: 1.3283266480953209
Energy: 1.3378283283362304
Energy: 1.14403298348538
Energy: 1.3283262158637368
Energy: 1.337817365535912
Energy: 1.1440331218196629
Energy: 1.3283263644915855
Energy: 1.3378011603104472
Energy: 1.2386301555732562
Energy: 1.1339467262505003
Energy: 1.2464281715296606
Energy: 1.2386288511018582
Energy: 1.129247017803486
Energy: 1.246428013492847
Energy: 1.238629554284861
Energy: 1.136570985860425
Energy: 1.246428052568413
Energy: 1.2386273665680494
Energy: 1.2497735446823897
Energy: 1.4274868513213146
Energy: 1.292116736723612
Energy: 1.249772006339982
Energy: 1.4274662922159354
Energy: 1.2921167759976462
Energy: 1.2497729186347535
Energy: 1.427486837873746
Energy: 1.2921167488335672
Energy: 1.249770767709845
Energy: 1.3201157342031602
Energy: 1.241669156799829
Energy: 1.42200983057885
Energy: 1.320115734064556
Energy: 1.2416691568233202
Energy: 1.4219574028374073
Energy: 1.3201158998832507
Energy: 1.2416691568225624
Energy: 1.4219521694704438
Energy: 1.3201158614099102
Energy: 1.260508422359125
Energy: 1.337447274148543
Energy: 1.163209545765962
Energy: 1.249232765798363
Energy: 1.3374511981101578
Energy: 1.1632103608546942
Energy: 1.2480858478335342
Energy: 1.3374535175859579
Energy: 1.163209546773391
Energy: 1.281280964583351
Energy: 1.2264891735144445
Energy: 1.2252934101491764
Energy: 1.1571109074328403
Energy: 1.2264892558897662
Energy: 1.224834887640917
Energy: 1.1571110339593829
Energy: 1.2264891397265043
Energy: 1.2331460166593073
Energy: 1.1571109086583715
Energy: 1.2264892597996855
Energy: 1.2740454783275246
Energy: 1.3679734422813965
Energy: 1.264458531527938
Energy: 1.274055636585704
Energy: 1.3679617429609434
Energy: 1.2644585763623286
Energy: 1.2740369287612316
Energy: 1.3679721850636937
Energy: 1.264458594462093
Energy: 1.2740434413912662
Energy: 1.4758028379769752
Energy: 1.1715821235636756
Energy: 1.2490830387374436
Energy: 1.4758053651314507
Energy: 1.1715779237697355
Energy: 1.249083038488273
Energy: 1.4758059496880052
Energy: 1.1715896832506754
Energy: 1.2490830386693128
Energy: 1.475806930325044
Energy: 1.3043771955142462
Energy: 1.2557086847366958
Energy: 1.3842276060463314
Energy: 1.313670676260973
Energy: 1.2557076381766252
Energy: 1.3842424217664528
Energy: 1.3043821713190797
Energy: 1.255708031469732
Energy: 1.384240986799486
Energy: 1.313676599827681
Energy: 1.1939450017744027
Energy: 1.2479314900444038
Energy: 1.2998396153997382
Energy: 1.1938550425222794
Energy: 1.2479314766332084
Energy: 1.2217870327018931
Energy: 1.193862888883594
Energy: 1.2479314773967025
Energy: 1.203761277263122
Energy: 1.1937163981417644
Energy: 1.2645140262164931
Energy: 1.2047077195315727
Energy: 1.1694616827609625
Energy: 1.2667380631648881
Energy: 1.204707734331152
Energy: 1.1610246326164109
Energy: 1.2529511052370699
Energy: 1.2047077195323306
Energy: 1.16936854228829
Energy: 1.2520086651291051
Energy: 1.1524059709990746
Energy: 1.4719261965331252
Energy: 1.187148596916694
Energy: 1.152412165704235
Energy: 1.471922376752812
Energy: 1.187148596925787
Energy: 1.1511783956316766
Energy: 1.471926767379232
Energy: 1.1871485969318492
Energy: 1.152455642222562
Energy: 1.1922435310309099
Energy: 1.1665212026052918
Energy: 1.2590459630676325
Energy: 1.192243514827033
Energy: 1.1676537086337626
Energy: 1.2590470886006777
Energy: 1.192243427957753
Energy: 1.1688041904134097
Energy: 1.2590462919510559
Energy: 1.1922435994610794

minimum gb energy = 1.129247017803486 eV
minimum distance =  2.23258420743351 Angstroms
sigma value = 33