Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_003
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=3.646125234663486
cohesive_energy=3.9070925642619274
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: 0.016827852583615216
Energy: 0.546128888363158
Energy: 0.5461288883617371
Energy: 0.016827852583615216
Energy: 0.5461288883617371
Energy: 0.5461288883617371
Energy: 0.016827852583615216
Energy: 0.546128888363158
Energy: 0.5461288883617371
Energy: 0.016827852583615216
Energy: 0.5420307996571875
Energy: 0.021068870863484856
Energy: 0.5416208026720457
Energy: 0.5420307996571875
Energy: 0.021068870863484856
Energy: 0.5416208026720457
Energy: 0.5420307996571875
Energy: 0.021068870863484856
Energy: 0.5416208026720457
Energy: 0.5420307996571875
Energy: 1.1208847590861568
Energy: 0.3279718574990023
Energy: 0.9516487454797798
Energy: 1.120935477116665
Energy: 0.3279718574990023
Energy: 0.32797185750042324
Energy: 1.120932709309707
Energy: 0.3279718574990023
Energy: 0.32797185750042324
Energy: 1.1209293949719068
Energy: 0.5420307996571875
Energy: 0.5416208026706248
Energy: 0.02106887086490579
Energy: 0.5420307996571875
Energy: 0.5416208026706248
Energy: 0.021068870863484856
Energy: 0.5420307996571875
Energy: 0.5416208026706248
Energy: 0.02106887086490579
Energy: 0.5420307996571875
Energy: 0.016827852583615216
Energy: 0.546128888363158
Energy: 0.5461288883617371
Energy: 0.016827852583615216
Energy: 0.5461288883617371
Energy: 0.5461288883617371
Energy: 0.016827852583615216
Energy: 0.5461288883617371
Energy: 0.5461288883617371
Energy: 0.016827852583615216
Energy: 0.5420307996571875
Energy: 0.021068870863484856
Energy: 0.5416208026720457
Energy: 0.5420307996571875
Energy: 0.02106887086490579
Energy: 0.5416208026706248
Energy: 0.5420307996571875
Energy: 0.021068870863484856
Energy: 0.5416208026720457
Energy: 0.5420307996571875
Energy: 1.1209333697846289
Energy: 0.32797185750042324
Energy: 0.6920882582450568
Energy: 1.1209328231969493
Energy: 0.32797185750042324
Energy: 0.8072445582243754
Energy: 1.120934334499004
Energy: 0.32797185750042324
Energy: 0.8072438517670674
Energy: 1.1209164850459155

minimum gb energy = 0.016827852583615216 eV
minimum distance =  2.32281099602683 Angstroms
sigma value = 3


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

Energy: 1.401487915606349
Energy: 1.4869106023774312
Energy: 1.4873905503663998
Energy: 1.2020735667916622
Energy: 1.4869106023760388
Energy: 1.4873905503712725
Energy: 1.4014879156014763
Energy: 1.486910602376735
Energy: 1.4873905503663998
Energy: 1.2020735667867894
Energy: 1.2869853619110152
Energy: 1.3326347121905158
Energy: 1.4357207033761834
Energy: 1.2869853619047498
Energy: 1.332634712196401
Energy: 1.4357207033716906
Energy: 1.2869853619120277
Energy: 1.3326347121933004
Energy: 1.4357207033737789
Energy: 1.286985361917976
Energy: 1.3135442193368956
Energy: 1.5100477954282094
Energy: 1.4359410280659919
Energy: 1.477176967201124
Energy: 1.5100477954240326
Energy: 1.435941020075679
Energy: 1.3135442193351867
Energy: 1.5100477954216278
Energy: 1.4359410202517326
Energy: 1.4771769671969472
Energy: 1.4884166831004957
Energy: 1.4873642887791907
Energy: 1.1546211594235587
Energy: 1.4884166831001795
Energy: 1.4873642887791907
Energy: 1.1546211594231788
Energy: 1.4884166831008756
Energy: 1.4873642887798868
Energy: 1.1546211594270392
Energy: 1.4884166831018881
Energy: 1.1002551999784504
Energy: 1.5152058093734049
Energy: 1.5184638292911918
Energy: 1.1002551999802224
Energy: 1.52336788619041
Energy: 1.5228563484829887
Energy: 1.1002551999767418
Energy: 1.5152058093734049
Energy: 1.5184638292859394
Energy: 1.1002551999777543
Energy: 1.723500829135097
Energy: 1.2270356181028674
Energy: 1.5317068554820679
Energy: 1.723500829145222
Energy: 1.2270356181098285
Energy: 1.5317068554859283
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Energy: 1.2270356181101447
Energy: 1.53170685548384
Energy: 1.723500829135793
Energy: 1.48784934926809
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Energy: 1.4882102128287595
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Energy: 1.1547999763259584
Energy: 1.488210212826671
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Energy: 1.4882102128259749
Energy: 1.4878493492673937
Energy: 1.4355592179014725
Energy: 1.435658835850233
Energy: 1.3344342086583618
Energy: 1.435559217904257
Energy: 1.435658835845044
Energy: 1.334512786029273
Energy: 1.4355592179098258
Energy: 1.4356588358411835
Energy: 1.3344342086587415
Energy: 1.4355592179004601
Energy: 1.3346107932122975
Energy: 1.4881805826073289
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Energy: 1.3346107932043236
Energy: 1.4881805826094172
Energy: 1.4877013534774528
Energy: 1.1545317528122196
Energy: 1.3010197879921939
Energy: 1.4909930976574424
Energy: 1.3203686114329702
Energy: 1.486630000655429
Energy: 1.4909930938193863
Energy: 1.493965957180211
Energy: 1.3010197879932062
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Energy: 1.4866300006453672
Energy: 1.435681098112663
Energy: 1.324761402643024
Energy: 1.2872975003636513
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Energy: 1.287297500367448
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Energy: 1.32476140263986
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Energy: 1.3259703582186477
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Energy: 1.3259703582204199
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Energy: 1.325970358219344
Energy: 1.2852110616955352
Energy: 1.4499042650483733
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Energy: 1.2852110458830526
Energy: 1.4440628164349618
Energy: 1.4823297865374632
Energy: 1.285211239003684
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Energy: 1.482329786532907
Energy: 1.2852110395974594
Energy: 1.4874483690318454
Energy: 1.1543006839932488
Energy: 1.488010259162514
Energy: 1.4874483690276685
Energy: 1.1543006839960332
Energy: 1.488010259161438
Energy: 1.4874483690220999
Energy: 1.1543006839984382
Energy: 1.4880102591544768
Energy: 1.4874483690210238
Energy: 1.4358900289190997
Energy: 1.3497580557659772
Energy: 1.3317451483477576
Energy: 1.435890028914227
Energy: 1.3497580557649018
Energy: 1.3314656477790816
Energy: 1.4358900289146066
Energy: 1.3497580557628133
Energy: 1.3317451483463651
Energy: 1.4358900289243524
Energy: 1.3422338544193455
Energy: 1.3296021161016354
Energy: 1.49021873652635
Energy: 1.3422338544172572
Energy: 1.329602116102711
Energy: 1.4902187365298305
Energy: 1.3422338544099164
Energy: 1.3296021161044198
Energy: 1.490218736535336
Energy: 1.3422338544172572
Energy: 1.3898920034980993
Energy: 1.4879592771018664
Energy: 1.488900445549271
Energy: 1.2010274733080966
Energy: 1.4879592771070558
Energy: 1.4889004455426893
Energy: 1.3898920035050601
Energy: 1.4879592771102201
Energy: 1.4889004455440817
Energy: 1.2010274733143613
Energy: 1.4351148141024523
Energy: 1.3343611596978462
Energy: 1.4355739900065807
Energy: 1.4351148140920107
Energy: 1.3343611596950617
Energy: 1.4355739900037963
Energy: 1.435114814097896
Energy: 1.3343611596978462
Energy: 1.4355739900125295
Energy: 1.4351148141045407
Energy: 1.488737326720114
Energy: 1.4877068393129458
Energy: 1.1544687402466884
Energy: 1.4887373267159374
Energy: 1.4877068393139583
Energy: 1.1544687402400435
Energy: 1.488737326719418
Energy: 1.4877068393226915
Energy: 1.1544687402449165
Energy: 1.4887373267208102
Energy: 1.4910251111402983
Energy: 1.3760396766168626
Energy: 1.1524908859288265
Energy: 1.4910251111350459
Energy: 1.3813468198200132
Energy: 1.1524908859281304
Energy: 1.49102511113821
Energy: 1.3760396766157867
Energy: 1.152490885931611
Energy: 1.4910251111354256
Energy: 1.1002574383659571
Energy: 1.5180434132982734
Energy: 1.515563450685035
Energy: 1.100257438366653
Energy: 1.5225955922279646
Energy: 1.5242075182118158
Energy: 1.1002574383655772
Energy: 1.5180434132864395
Energy: 1.5155634506846554
Energy: 1.1002574383655772
Energy: 1.487563566920137
Energy: 1.1545546352403429
Energy: 1.4879219014308318
Energy: 1.4875635669225418
Energy: 1.1545546352448992
Energy: 1.4879219014329201
Energy: 1.4875635669257061
Energy: 1.1545546352507845
Energy: 1.4879219014312113
Energy: 1.4875635669225418
Energy: 1.3445028191845094
Energy: 1.436481200813865
Energy: 1.2871819623018455
Energy: 1.3445028191852055
Energy: 1.4364812008103844
Energy: 1.2871819623101988
Energy: 1.3445028191810289
Energy: 1.4364812008177252
Energy: 1.2871819623105785
Energy: 1.3445028191827375
Energy: 1.3434189336164064
Energy: 1.4365702394355435
Energy: 1.3250952983769266
Energy: 1.3434189336122297
Energy: 1.4365702394348476
Energy: 1.3252787788636855
Energy: 1.3434189336139384
Energy: 1.436570239433835
Energy: 1.325095298374838
Energy: 1.3434189336198872
Energy: 1.3472074508556728
Energy: 1.4869106023785068
Energy: 1.4873905503653237
Energy: 1.1542514911246986
Energy: 1.4869106023750263
Energy: 1.4873905503698803
Energy: 1.3472074508622542
Energy: 1.4869106023757224
Energy: 1.4873905503688045
Energy: 1.1542514911243822
Energy: 1.2869853619124072
Energy: 1.3326347121929205
Energy: 1.4357207033775758
Energy: 1.286985361910635
Energy: 1.3326347121946926
Energy: 1.4357207033737789
Energy: 1.286985361910635
Energy: 1.3326347121926043
Energy: 1.4357207033761834
Energy: 1.286985361914812
Energy: 1.4332433177376485
Energy: 1.5100477954244125
Energy: 1.4359410298548785
Energy: 1.4296777981361324
Energy: 1.5100477954212483
Energy: 1.4359409970605677
Energy: 1.4332433177411288
Energy: 1.5100477954205522
Energy: 1.4359410247038247
Energy: 1.4296777981347402
Energy: 1.4884166831060648
Energy: 1.4873642887833676
Energy: 1.154621159423875
Energy: 1.4884166831008756
Energy: 1.4873642887812792
Energy: 1.154621159426343
Energy: 1.4884166830977115
Energy: 1.4873642887819754
Energy: 1.1546211594228626
Energy: 1.4884166831004957

minimum gb energy = 1.1002551999767418 eV
minimum distance =  2.40196362533248 Angstroms
sigma value = 75


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

Energy: 1.7039163352004774
Energy: 1.3592176884276803
Energy: 1.3591065264062798
Energy: 1.5305214321493035
Energy: 1.3592176884276803
Energy: 1.3591065264045816
Energy: 1.7039163352004774
Energy: 1.3592176884310767
Energy: 1.3591065264045816
Energy: 1.5305214321459069
Energy: 1.5486065572442607
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Energy: 1.7235978197495858
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Energy: 1.6276487808250557
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Energy: 1.3597738342857049
Energy: 1.6277468668162463
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Energy: 1.3597738342840064
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Energy: 1.3597738342789114
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Energy: 1.3589030046898989
Energy: 1.6959479503754091
Energy: 1.7182172499621113
Energy: 1.3589030046898989
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Energy: 1.681240168251855
Energy: 1.3589030046882007
Energy: 1.6959479503737107
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Energy: 1.729354247350533
Energy: 1.7721962879279567
Energy: 1.4519317881176226
Energy: 1.7293542473488346
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Energy: 1.4523644254431305
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Energy: 1.7721962879347501
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Energy: 1.3597734005055393
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Energy: 1.7842004612120972
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Energy: 1.7842004612070022
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Energy: 1.3588735129415166
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Energy: 1.7033918361372808
Energy: 1.6094032831111635
Energy: 1.708176884255413
Energy: 1.4330212361249286
Energy: 1.6670053016478454
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Energy: 1.667005301659734
Energy: 1.6190597561543223
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Energy: 1.7269629784966114
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Energy: 1.6350649744340073
Energy: 1.35948399302609
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Energy: 1.3594839930226936
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minimum gb energy = 1.3584389548741285 eV
minimum distance =  2.27621783631017 Angstroms
sigma value = 105


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

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Energy: 1.5665300448983093
Energy: 1.56677218697774
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Energy: 1.5998797022842985
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Energy: 1.5700384555797586
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Energy: 1.5700384555759264
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Energy: 1.5700384555797586
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Energy: 1.5814493626635102
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Energy: 1.5806997525665096
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Energy: 1.6551360780447937
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Energy: 1.684931900309908
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Energy: 1.5760642640387519
Energy: 1.4530790411677807
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Energy: 1.51147974229379
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Energy: 1.5781246564451197
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Energy: 1.7021200228081377
Energy: 1.5099656811122535
Energy: 1.5243078358421385
Energy: 1.7021200228081377
Energy: 1.5099656811180018
Energy: 1.5243078358440545
Energy: 1.7021200228062217
Energy: 1.5099656811160858
Energy: 1.5243078358402222
Energy: 1.466251445243171
Energy: 1.5541108744585632
Energy: 1.5541295382706335
Energy: 1.466251445243171
Energy: 1.5541108744585632
Energy: 1.5541295382744653
Energy: 1.4662514452412898
Energy: 1.5541108744585632
Energy: 1.5541295382744653
Energy: 1.4662514452412898
Energy: 1.4791299100220925
Energy: 1.5035521266178862
Energy: 1.5359909942393972
Energy: 1.4791299100240083
Energy: 1.5033951541186126
Energy: 1.5359909942374814
Energy: 1.4791299100220925
Energy: 1.5035521266140541
Energy: 1.5359909942374814
Energy: 1.4791299100182604
Energy: 1.7294043480932442
Energy: 1.5020970504606859
Energy: 1.5395703369330191
Energy: 1.7294043480932442
Energy: 1.5021262414627774
Energy: 1.539570336934935
Energy: 1.7294043480894123
Energy: 1.5020970504894258
Energy: 1.5395703369311031
Energy: 1.7294043480951602
Energy: 1.5339525402382816
Energy: 1.5351081606766381
Energy: 1.5799890869966788
Energy: 1.5339525402364007
Energy: 1.5351081606766381
Energy: 1.5799890869985949
Energy: 1.5339525402382816
Energy: 1.535108160674722
Energy: 1.5799890869966788
Energy: 1.533952540240198
Energy: 1.5081643381183674
Energy: 1.660582695111826
Energy: 1.5703278527885547
Energy: 1.5081643381221992
Energy: 1.6604402907615765
Energy: 1.5703278527885547
Energy: 1.5081643381241152
Energy: 1.6605826951079943
Energy: 1.5703278527885547
Energy: 1.5081643381202832
Energy: 1.676576195658471
Energy: 1.5799384152133449
Energy: 1.6417203028808036
Energy: 1.676576195656555
Energy: 1.5800599151812424
Energy: 1.6417203028827196
Energy: 1.6765761956546392
Energy: 1.5799384152152611
Energy: 1.6417203028846357
Energy: 1.676576195656555
Energy: 1.5668990188469554
Energy: 1.507215590150577
Energy: 1.5663547362041756
Energy: 1.5668990188450393
Energy: 1.5072416151177108
Energy: 1.5663547362060914
Energy: 1.5668990188450393
Energy: 1.507215590148661
Energy: 1.5663547362003434
Energy: 1.5668990188450393

minimum gb energy = 1.4530790411677807 eV
minimum distance =  2.36319805238775 Angstroms
sigma value = 165


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

Energy: 1.6726831207476762
Energy: 1.6192356238133843
Energy: 1.6216448713428109
Energy: 1.5688835287629546
Energy: 1.6192356238159855
Energy: 1.6216448713434686
Energy: 1.6726831207516228
Energy: 1.619235623811411
Energy: 1.6216448713428109
Energy: 1.5688835288254126
Energy: 1.7158619710112937
Energy: 1.5686125928556585
Energy: 1.7240303659129377
Energy: 1.7158619710119514
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Energy: 1.715861971012609
Energy: 1.5686125928517118
Energy: 1.724030365911622
Energy: 1.7158619710099778
Energy: 1.598816564701845
Energy: 1.6484062008883893
Energy: 1.593203699112366
Energy: 1.5988165646998715
Energy: 1.648406200889705
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Energy: 1.6651428369235903
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Energy: 1.570103901385815
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Energy: 1.619447456754395
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Energy: 1.6194474567557104
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Energy: 1.6878981414052865
Energy: 1.6194474567557104
Energy: 1.6621780784028877
Energy: 1.6878414539408617
Energy: 1.6194474567497907
Energy: 1.6653123572860902
Energy: 1.6629271362376756
Energy: 1.7767157333838126
Energy: 1.5691700896179173
Energy: 1.6629271362389912
Energy: 1.7767157333877595
Energy: 1.665312357286748
Energy: 1.6629271362363602
Energy: 1.7767157333851282
Energy: 1.5691700896198906
Energy: 1.6281142036792724
Energy: 1.5026430765094105
Energy: 1.8063770477319634
Energy: 1.6590564404434933
Energy: 1.5026430765100685
Energy: 1.7613601844060538
Energy: 1.6281142036799303
Energy: 1.5026430765126995
Energy: 1.8063770477293326
Energy: 1.6590564404448087
Energy: 1.6683088980239766
Energy: 1.5691544485503217
Energy: 1.6621764384191167
Energy: 1.66830889802595
Energy: 1.569154448554268
Energy: 1.6621764384164857
Energy: 1.6683088980246343
Energy: 1.569154448552295
Energy: 1.66217643841517
Energy: 1.6683088980246343
Energy: 1.6910546400820754
Energy: 1.5934034169307763
Energy: 1.701847113974159
Energy: 1.691054640082733
Energy: 1.5934034169307763
Energy: 1.7018471138308557
Energy: 1.6910546400814175
Energy: 1.5934034169334073
Energy: 1.7018471140609543
Energy: 1.691054640080102
Energy: 1.6216606632027035
Energy: 1.676578144281213
Energy: 1.5684432879281782
Energy: 1.6216606632027035
Energy: 1.6765781442831864
Energy: 1.5684432879288361
Energy: 1.6216606632033612
Energy: 1.6765781442825287
Energy: 1.5684432879288361
Energy: 1.6216606632020456
Energy: 1.5688835281929405
Energy: 1.619235623811411
Energy: 1.6216448713414953
Energy: 1.5688835282606606
Energy: 1.6192356238100953
Energy: 1.6216448713434686
Energy: 1.5688835282080393
Energy: 1.6192356238153576
Energy: 1.6216448713408373
Energy: 1.5688835284618472

minimum gb energy = 1.502605115602004 eV
minimum distance =  2.34728536710688 Angstroms
sigma value = 41


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

Energy: 1.4630619413086914
Energy: 1.515151419556833
Energy: 1.498262751346376
Energy: 1.462466763266989
Energy: 1.515151419559385
Energy: 1.498262751354032
Energy: 1.4630619404566685
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Energy: 1.4484493299333334
Energy: 1.3619366640088661
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Energy: 1.50135409072998
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Energy: 1.3957990835490095
Energy: 1.3722780021182635
Energy: 1.446422751876053
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Energy: 1.3957990835566192
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Energy: 1.293527186994574
Energy: 1.5239325699111501
Energy: 1.5607547274280624
Energy: 1.293527186992022
Energy: 1.523932569913702
Energy: 1.5607547274306146
Energy: 1.2935271869869642
Energy: 1.5239325699060458
Energy: 1.5607547274280624
Energy: 1.4372692623596748
Energy: 1.3648832649909655
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Energy: 1.4372692623596748
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Energy: 1.4372692623596748
Energy: 1.4190348904681134
Energy: 1.4865331538762399
Energy: 1.3564579740572025
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Energy: 1.4190348904706656
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Energy: 1.3564579740572025
Energy: 1.4190348904706656
Energy: 1.3569827473015363
Energy: 1.5976807739793222
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Energy: 1.3569827472989842
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Energy: 1.3569827472989842
Energy: 1.3584726482637057
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Energy: 1.3237184293957032
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Energy: 1.3584726482687635
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Energy: 1.3266799444852482
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Energy: 1.410274248902073
Energy: 1.3266799444852482
Energy: 1.4693670140455617
Energy: 1.410274248904625
Energy: 1.3266799444980089
Energy: 1.4693670140430095
Energy: 1.410274248909729
Energy: 1.5482801611577024
Energy: 1.2999963543142725
Energy: 1.4983174715800243
Energy: 1.5482801611577024
Energy: 1.2999963543168245
Energy: 1.4983174651133842
Energy: 1.5482801611602546
Energy: 1.2999963543117203
Energy: 1.4983174659985838
Energy: 1.5482801611602546
Energy: 1.4999165738508016
Energy: 1.4996448111050134
Energy: 1.4224791507765502
Energy: 1.4999165738533535
Energy: 1.4996448111050134
Energy: 1.4249617051704446
Energy: 1.4999165738533535
Energy: 1.4996448111075655
Energy: 1.4224791517076407
Energy: 1.4999165738508016
Energy: 1.2967902709759613
Energy: 1.4294119272399466
Energy: 1.4284732608889452
Energy: 1.2967902709759613
Energy: 1.4279468991087605
Energy: 1.4279081598767722
Energy: 1.2967902709785133
Energy: 1.4294119272450507
Energy: 1.4284732608889452
Energy: 1.2967902709759613
Energy: 1.2954617459249531
Energy: 1.395078053688573
Energy: 1.4460323655849598
Energy: 1.2954617459326094
Energy: 1.3950530576776112
Energy: 1.445946583954014
Energy: 1.2954617459275053
Energy: 1.395078053683469
Energy: 1.4460323655824077
Energy: 1.2954617459249531
Energy: 1.3342858451282844
Energy: 1.358653028570179
Energy: 1.3678120986250724
Energy: 1.3342858451180761
Energy: 1.3587226414461644
Energy: 1.3678120986199678
Energy: 1.3342858451180761
Energy: 1.3586530285599705
Energy: 1.36781209862252
Energy: 1.334285845120628
Energy: 1.4996244553192288
Energy: 1.3585042354158
Energy: 1.3263628874226048
Energy: 1.4996244553166767
Energy: 1.3585417815875716
Energy: 1.3263628874175009
Energy: 1.4996244553243332
Energy: 1.3585042354106958
Energy: 1.3263628874123967
Energy: 1.4996244553243332
Energy: 1.439615959741673
Energy: 1.446251676841954
Energy: 1.356742117797886
Energy: 1.4396159597442248
Energy: 1.446251676847058
Energy: 1.3567421177902301
Energy: 1.439615959741673
Energy: 1.4462516768445057
Energy: 1.356742117792782
Energy: 1.4396159597442248

minimum gb energy = 1.292860195110021 eV
minimum distance =  2.34355693875336 Angstroms
sigma value = 185


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

Energy: 1.6537577397949585
Energy: 0.7371454262575612
Energy: 0.7386097616357503
Energy: 0.8948909634406871
Energy: 0.737145426259076
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Energy: 1.6537577397898087
Energy: 0.7371454262557435
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Energy: 0.8948909634406871
Energy: 0.9258837061189549
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Energy: 0.9623139346803453
Energy: 0.8752633275542312
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Energy: 0.9258836955133277
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Energy: 0.9623139346812541
Energy: 0.8752633276175192
Energy: 0.8659317606945599
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Energy: 0.8862613249222948
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Energy: 0.8976023200250701
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Energy: 0.7397622777494791
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Energy: 0.7826412786843098
Energy: 0.7355522238848623
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Energy: 0.8700388196562393
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Energy: 1.2087102014445479
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Energy: 1.2609914591334466
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Energy: 0.8119507941105961
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Energy: 0.8119507941087785
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Energy: 0.8109824178998624
Energy: 1.1899799676247962
Energy: 0.7389357532796383
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Energy: 0.8109824179050124
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Energy: 0.7389357532850914
Energy: 0.8300873600684358
Energy: 0.8646750565399031
Energy: 0.8431640701414533
Energy: 0.7377712059912969
Energy: 0.8986013156004456
Energy: 0.8853439116933404
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Energy: 0.8431640701380935
Energy: 0.7377712059912969
Energy: 0.8986013156001702
Energy: 1.1966550081297453
Energy: 1.14934544562859
Energy: 0.7367738225140362
Energy: 1.1370098617563111
Energy: 1.1493454456358607
Energy: 0.736773822515854
Energy: 1.1966550081342893
Energy: 1.1493454456379815
Energy: 0.7367738225167627
Energy: 1.1370098617538875
Energy: 1.3516998112017802
Energy: 0.7371454262578642
Energy: 0.7386097616372652
Energy: 0.8984893603382594
Energy: 0.7371454262602878
Energy: 0.7386097616393857
Energy: 1.3516998112045067
Energy: 0.7371454262569553
Energy: 0.7386097616384769
Energy: 0.89848936033523
Energy: 0.882827781589918
Energy: 0.7363973534632867
Energy: 0.8690342041448519
Energy: 0.8752633275623832
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Energy: 1.0109278661930836
Energy: 0.8828280013599114
Energy: 0.7363973534620749
Energy: 0.8690342041463667
Energy: 0.8752633276541478
Energy: 0.8721829857791785
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Energy: 0.8984668961693165
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Energy: 0.8436416412040474
Energy: 0.8721829857803903
Energy: 0.7384557480542304
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Energy: 0.8984668961717401
Energy: 1.1840546347932674
Energy: 0.7397622777491762
Energy: 1.1897504446952323
Energy: 1.1840546347987204
Energy: 0.7397622777482674
Energy: 1.2282869771393652
Energy: 1.1840546347969028
Energy: 0.7397622777467527
Energy: 1.1897504446952323
Energy: 1.1840546347905407
Energy: 0.7826412786858244
Energy: 0.7355522238827418
Energy: 0.9090053879714
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Energy: 0.73555222388153
Energy: 0.8116888419453202
Energy: 0.7826412786852186
Energy: 0.7355522238857712
Energy: 0.9090053879756412
Energy: 0.7826412786852186
Energy: 1.2087102014490918
Energy: 0.8762447359822932
Energy: 1.2609914591322349
Energy: 1.2087102014442448
Energy: 0.9077560652895159
Energy: 1.1011317664669018
Energy: 1.208710201456638
Energy: 0.8762447359786578
Energy: 1.2609914591298113
Energy: 1.208710201443942
Energy: 0.7813453513393314
Energy: 1.250530781448437
Energy: 0.9320046540588687
Energy: 0.7813453513356959
Energy: 1.305052130307494
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Energy: 0.7813453513369079
Energy: 1.250530781448437
Energy: 0.9320046632564359
Energy: 0.7813453513384225
Energy: 0.9950773658390909
Energy: 0.795572300946386
Energy: 0.7391966864161221
Energy: 0.9950773658820814
Energy: 0.9989064215791408
Energy: 0.7391966864206663
Energy: 0.9950773658999553
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Energy: 0.7391966864176368
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Energy: 0.8654853651612849
Energy: 1.0861179184856482
Energy: 0.7389357532799414
Energy: 0.8300873600687387
Energy: 1.18405917961944
Energy: 0.738935753282365
Energy: 0.8654853651600731
Energy: 1.0861179184862542
Energy: 0.7389357532829708
Energy: 0.8300873600681328
Energy: 0.8648125106301622
Energy: 0.9118179835448345
Energy: 0.737771205990994
Energy: 0.8986013155998398
Energy: 0.8853439116960945
Energy: 0.7377712059876615
Energy: 0.8648125106283445
Energy: 0.9118179835484698
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Energy: 1.1493454456279844
Energy: 0.7367738225125215
Energy: 1.137009861756614
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Energy: 0.7367738225164598
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Energy: 1.1370098617535846
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Energy: 0.7386097616372652
Energy: 0.8948909634400812
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Energy: 0.7386097616381739
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Energy: 0.7386097616366593
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Energy: 0.925883689942835
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Energy: 0.8752633276332723
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Energy: 0.8752633275732892
Energy: 0.8659317606918611
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Energy: 0.8976023200204984
Energy: 0.738455748050898
Energy: 0.9137948980283588
Energy: 0.8659317606906493
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Energy: 0.88626132492929
Energy: 0.8976023200241339
Energy: 1.1840546347969028
Energy: 0.739762277750388
Energy: 0.9295452499687439
Energy: 1.1840546347896321
Energy: 0.7397622777497821
Energy: 1.1897504446934144
Energy: 1.1840546347956908
Energy: 0.7397622777479644
Energy: 0.9295478784375864
Energy: 1.1840546348096266
Energy: 0.7826412786840068
Energy: 0.7355522238836506
Energy: 0.9988576020719758
Energy: 0.7826412786855216
Energy: 0.7355522238830448
Energy: 0.8048516187853363
Energy: 0.7826412786855216
Energy: 0.7355522238845594
Energy: 0.9988576020707641
Energy: 0.7826412786843098
Energy: 1.2087102014445479
Energy: 0.8765561610771481
Energy: 1.260991459131023
Energy: 1.2087102014457594
Energy: 0.8700388196571481
Energy: 1.0422440927600156
Energy: 1.2087102014460624
Energy: 0.8765561610780569
Energy: 1.2609914591307199
Energy: 1.2087102014427298
Energy: 0.7813453513372108
Energy: 1.108726253507886
Energy: 0.932004083266422
Energy: 0.7813453513335754
Energy: 1.2282562750406534
Energy: 0.9320046995754891
Energy: 0.7813453513347872
Energy: 1.1087262535066742
Energy: 0.932004684782009
Energy: 0.7813453513384225
Energy: 0.9950773658781433
Energy: 0.8119507941103207
Energy: 0.739196686416728
Energy: 0.9950773659374929
Energy: 0.9091460283690863
Energy: 0.7391966864191516
Energy: 0.9950773659892688
Energy: 0.8119507941105961
Energy: 0.7391966864155162
Energy: 0.9950773660428627
Energy: 0.810982417901983
Energy: 1.1899799676257048
Energy: 0.7389357532814561
Energy: 0.8300873600678299
Energy: 1.1840591796206517
Energy: 0.738935753282365
Energy: 0.8109824179041036
Energy: 1.1899799676232816
Energy: 0.7389357532853944
Energy: 0.8300873600696476
Energy: 0.8646750565359924
Energy: 0.8431640701396357
Energy: 0.7377712059922056
Energy: 0.8986013156001702
Energy: 0.8853439116948828
Energy: 0.7377712059894792
Energy: 0.8646750565374796
Energy: 0.8431640701405169
Energy: 0.7377712059922056
Energy: 0.8986013155995644
Energy: 1.1966550081430471
Energy: 1.1493454456310137
Energy: 0.7367738225116127
Energy: 1.1370098617557052
Energy: 1.1493454456376786
Energy: 0.7367738225146422
Energy: 1.1966550081548621
Energy: 1.1493454456337404
Energy: 0.7367738225191862
Energy: 1.1370098617532816

minimum gb energy = 0.73555222388153 eV
minimum distance =  2.37961498129287 Angstroms
sigma value = 33


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

Energy: 1.3058988055184984
Energy: 1.3311206378589928
Energy: 1.331122614161258
Energy: 1.2958571724581605
Energy: 1.3311206378589928
Energy: 1.331122614161258
Energy: 1.3058988055168352
Energy: 1.331120637855667
Energy: 1.331122614161258
Energy: 1.2958571724581605
Energy: 1.3229250352046258
Energy: 1.2986761567085146
Energy: 1.3110013708898896
Energy: 1.3229250351996362
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Energy: 1.3110013708898896
Energy: 1.3229250352029627
Energy: 1.2986761567051885
Energy: 1.3110013708865635
Energy: 1.3229250351979733
Energy: 1.267281159597717
Energy: 1.2657972731797076
Energy: 1.2732324407901279
Energy: 1.2581639790986803
Energy: 1.26579727318636
Energy: 1.273232440791791
Energy: 1.267281159592758
Energy: 1.265797273184697
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Energy: 1.2810730316983714
Energy: 1.2938149943783477
Energy: 1.2965128698326134
Energy: 1.3192465871944983
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Energy: 1.2965128698342763
Energy: 1.3192465871895087
Energy: 1.2938149943849997
Energy: 1.2965128698326134
Energy: 1.3192465871878458
Energy: 1.2938149943816737
Energy: 1.309970031668123
Energy: 1.3154895986897195
Energy: 1.258637648875069
Energy: 1.309970031668123
Energy: 1.3154895986930457
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Energy: 1.3099700316731124
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Energy: 1.2586376488734057
Energy: 1.3099700316731124
Energy: 1.3280321965760027
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Energy: 1.3280321965793287
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Energy: 1.2909980229246594
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Energy: 1.2952916156730108
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Energy: 1.298023110306771
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Energy: 1.3001735388610636
Energy: 1.2980231103034445
Energy: 1.337468592614302
Energy: 1.300532625576206
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Energy: 1.3370864285580286
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Energy: 1.2980231103034445
Energy: 1.2652000294607182
Energy: 1.2543924659595018
Energy: 1.2720863660238722
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Energy: 1.2543944943778778
Energy: 1.2720871132334517
Energy: 1.265200029459055
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Energy: 1.2974342553107943
Energy: 1.308433493286869
Energy: 1.3056941433338998
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Energy: 1.308433493286869
Energy: 1.3056941433388891
Energy: 1.2974342553140903
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Energy: 1.3323009822612768
Energy: 1.2754758695647324
Energy: 1.335350010260375
Energy: 1.3323009822629397
Energy: 1.2754758695614061
Energy: 1.335350010262038
Energy: 1.3323009822629397
Energy: 1.2754758695630692
Energy: 1.3353500102570488
Energy: 1.3323009822596137
Energy: 1.3197819673990645
Energy: 1.307867320440174
Energy: 1.299201638649937
Energy: 1.319781967395738
Energy: 1.3078673204484896
Energy: 1.2992016386565892
Energy: 1.3197819673990645
Energy: 1.3078673204435003
Energy: 1.2992016386565892
Energy: 1.3197819674007274
Energy: 1.3349848039943262
Energy: 1.3515578910960284
Energy: 1.262391403362371
Energy: 1.3349848039943262
Energy: 1.3515578910927022
Energy: 1.2623914033607082
Energy: 1.334984803987674
Energy: 1.3515578911026809
Energy: 1.262391403359045
Energy: 1.3349848039893373
Energy: 1.293541329938622
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Energy: 1.3570964785586555
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Energy: 1.3168788702896017
Energy: 1.2979139052904622
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Energy: 1.2979139052937883
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Energy: 1.3168788702829493
Energy: 1.2979139052987776
Energy: 1.264090032604909
Energy: 1.3076953936359164
Energy: 1.280655766408117
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Energy: 1.307695393647558
Energy: 1.2806557664114433
Energy: 1.2640900325999198
Energy: 1.30769539365418
Energy: 1.28065576640978
Energy: 1.264090032601583
Energy: 1.3172574270445532
Energy: 1.307509053953772
Energy: 1.322985106046384
Energy: 1.317257427037901
Energy: 1.307509053952109
Energy: 1.3229851060413946
Energy: 1.3172574270362378
Energy: 1.307509053955435
Energy: 1.3229851060397315
Energy: 1.317257427041227
Energy: 1.335318912320323
Energy: 1.3337469846762018
Energy: 1.3203150416071072
Energy: 1.335318912323619
Energy: 1.3337469846762018
Energy: 1.3203150416071072
Energy: 1.335318912323619
Energy: 1.3337469846762018
Energy: 1.3203150416120963
Energy: 1.3353189123252822
Energy: 1.3302132113270808
Energy: 1.3196130077492134
Energy: 1.329286314807429
Energy: 1.330213211328744
Energy: 1.3196130077458874
Energy: 1.3292863148124183
Energy: 1.3302132113303768
Energy: 1.3196130077492134
Energy: 1.3292863148124183
Energy: 1.3302132113303768
Energy: 1.268980146203489
Energy: 1.2955681573057862
Energy: 1.2986365837369438
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Energy: 1.2955681573041231
Energy: 1.298636583735281
Energy: 1.268980146200163
Energy: 1.2955681573041231
Energy: 1.2986365837419331
Energy: 1.2689801462051522

minimum gb energy = 1.2473680804681115 eV
minimum distance =  2.30228899134749 Angstroms
sigma value = 219


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

Energy: 1.7201137592865006
Energy: 1.825164687626022
Energy: 1.8251161357745351
Energy: 1.7201137592853997
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Energy: 1.8251161357756358
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Energy: 1.761431342505343
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Energy: 1.7259719961659206
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Energy: 1.7222119005803485
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Energy: 1.7173024995139492
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Energy: 1.7173024994171415
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Energy: 1.7164336374305729
Energy: 1.753924393418088
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Energy: 1.7207661285316553
Energy: 1.716433628091283
Energy: 1.753924393418088
Energy: 1.7207661285316553
Energy: 1.716433661159999
Energy: 1.7168493349104057
Energy: 1.8310292126670893
Energy: 1.8290355602444914
Energy: 1.7168493349104057
Energy: 1.8310292126670893
Energy: 1.8290355602444914
Energy: 1.7168493349104057
Energy: 1.8310292126670893
Energy: 1.8290355602444914
Energy: 1.7168493349104057
Energy: 1.770148817354568
Energy: 1.7693782110914351
Energy: 1.833709603658307
Energy: 1.770148817354568
Energy: 1.7693782110903347
Energy: 1.8337096036572063
Energy: 1.770148817354568
Energy: 1.7693782110914351
Energy: 1.8337096036572063
Energy: 1.7701488173556688

minimum gb energy = 1.716433628091283 eV
minimum distance =  2.32804363788551 Angstroms
sigma value = 15


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

Energy: 2.0739357476972833
Energy: 1.971790193472007
Energy: 1.9718866834394588
Energy: 2.024267656840111
Energy: 1.9717901934781337
Energy: 1.9718866834556985
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Energy: 1.9436914429512573
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Energy: 1.9509904765152257
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Energy: 2.0035132213069207
Energy: 1.9442930275857135
Energy: 1.9769767648092933
Energy: 2.0035132213008673
Energy: 1.9442930275897734
Energy: 1.9769767648133532
Energy: 2.003513221304927
Energy: 1.944293027579661
Energy: 1.9769767648073007
Energy: 2.00351322131098
Energy: 1.9773576670482746
Energy: 2.022773747397428
Energy: 1.955654614766563
Energy: 1.977357667050268
Energy: 2.0227737473954353
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Energy: 1.9773576670523345
Energy: 2.0227737473893086
Energy: 1.955654614768556
Energy: 1.977357667040155
Energy: 2.011066414002904
Energy: 1.9417880526266347
Energy: 2.0096097642598325
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minimum gb energy = 1.935285295232821 eV
minimum distance =  2.30826033901791 Angstroms
sigma value = 293


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

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Energy: 1.9343538163516558
Energy: 1.9868110920563293
Energy: 2.150471408281175
Energy: 1.934353816352424
Energy: 1.986811092057324
Energy: 1.9740245616144187
Energy: 1.9348340079875703
Energy: 1.9337671919010273
Energy: 1.9740245616149166
Energy: 1.934834007987299
Energy: 1.9337671919010273
Energy: 1.9740245616146452
Energy: 1.934834007987299
Energy: 1.9337671919010273
Energy: 1.9740245616139216
Energy: 2.065683521883953
Energy: 2.0403556647235592
Energy: 1.9385609903541539
Energy: 2.0656835218831846
Energy: 2.0403556647237853
Energy: 1.9385609903559167
Energy: 2.065683521883456
Energy: 2.040355664725774
Energy: 1.938560990354425
Energy: 2.0656835218824616
Energy: 1.9807915119185968
Energy: 1.9952787095139262
Energy: 1.9952766282937298
Energy: 1.980791511920857
Energy: 1.9952787095139262
Energy: 1.99527662829599
Energy: 1.9807915119205857
Energy: 1.9952787095151918
Energy: 1.9952766282935037
Energy: 1.9807915119200885
Energy: 2.065747358177628
Energy: 1.938524830406514
Energy: 2.0403513980833523
Energy: 2.0657473581768597
Energy: 1.938524830406514
Energy: 2.0403513980828554
Energy: 2.0657473581781254
Energy: 1.9385248304060168
Energy: 2.0403513980828554
Energy: 2.065747358177131
Energy: 1.9742137667502895
Energy: 1.9337608422382309
Energy: 1.9347806115471853
Energy: 1.9742137667505606
Energy: 1.9337608422372368
Energy: 1.9347806115481796
Energy: 1.9742137667502895
Energy: 1.9337608422382309
Energy: 1.9347806115479538
Energy: 1.974213766750787
Energy: 1.9869523901648733
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Energy: 2.1501027537183486
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Energy: 1.9869523901650992
Energy: 1.9345089970281817
Energy: 2.1501027537186195
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Energy: 2.080945811484621
Energy: 1.942154489010652
Energy: 1.9745322229264473
Energy: 2.080945811484892
Energy: 1.9421544890098836
Energy: 1.974532222925453
Energy: 2.080945811484892
Energy: 1.9421544890111493
Energy: 1.9745322229262214
Energy: 2.08094581148539
Energy: 1.9369829916102923
Energy: 2.08814869817713
Energy: 1.9579724891378385
Energy: 1.9369829916105636
Energy: 2.0881486981763615
Energy: 1.9579724891386066
Energy: 1.936982991609072
Energy: 2.088148698176859
Energy: 1.9579724891378385
Energy: 1.9369829916107895
Energy: 1.9357407488295002
Energy: 1.9922707120617438
Energy: 2.047143557399991
Energy: 1.935740748829003
Energy: 1.9922707120619703
Energy: 2.0471435573992687
Energy: 1.9357407488295002
Energy: 1.9922707120619703
Energy: 2.047143557399765
Energy: 1.9357407488292289
Energy: 2.0810690028119945
Energy: 2.005784670017732
Energy: 2.0064409118833417
Energy: 2.081069002813712
Energy: 2.005784670018229
Energy: 2.0064409118833417
Energy: 2.081069002812989
Energy: 2.0057846700162405
Energy: 2.0064409118833417
Energy: 2.081069002812492
Energy: 1.9357440420957017
Energy: 2.047145716260631
Energy: 1.9922943446758894
Energy: 1.9357440420954308
Energy: 2.0471457162603595
Energy: 1.9922943446763866
Energy: 1.9357440420952046
Energy: 2.047145716260631
Energy: 1.9922943446761152
Energy: 1.9357440420957017
Energy: 1.9369705055889948
Energy: 1.9579939052325366
Energy: 2.088106074553344
Energy: 1.9369705055894917
Energy: 1.957993905233034
Energy: 2.08810607455235
Energy: 1.9369705055884971
Energy: 1.9579939052325366
Energy: 2.088106074553073
Energy: 1.9369705055877287
Energy: 2.08085014789822
Energy: 1.9745454858331748
Energy: 1.9421522350725007
Energy: 2.0808501478984915
Energy: 1.9745454858353897
Energy: 1.942152235072998
Energy: 2.0808501478984915
Energy: 1.9745454858331748
Energy: 1.942152235072772
Energy: 2.080850147897994
Energy: 1.986811092057053
Energy: 2.150471408281898
Energy: 1.9343538163514298
Energy: 1.9868110920568265
Energy: 2.150471408281401
Energy: 1.934353816351927
Energy: 1.98681109205755
Energy: 2.1504714082821694
Energy: 1.9343538163511587
Energy: 1.9868110920568265

minimum gb energy = 1.9337608422372368 eV
minimum distance =  2.27627653424012 Angstroms
sigma value = 293


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

Energy: 1.9953360740174146
Energy: 1.9933481283239978
Energy: 1.9933431967164368
Energy: 1.9953360740169652
Energy: 1.9933481283257954
Energy: 1.9933431967186834
Energy: 1.9953360740178638
Energy: 1.9933481283244472
Energy: 1.9933431967186834
Energy: 1.9953360740174146
Energy: 1.9955953959317352
Energy: 1.995472470491602
Energy: 1.9980541756311467
Energy: 1.9955953959317352
Energy: 1.9954724704929503
Energy: 1.998054175631596
Energy: 1.9955953959317352
Energy: 1.9954724704933997
Energy: 1.9980541756297987
Energy: 1.9955953959339818
Energy: 1.992214077205092
Energy: 1.9919458374101946
Energy: 1.927954760616171
Energy: 1.9922140772059906
Energy: 1.9919458374097452
Energy: 1.9279547830943058
Energy: 1.992214077200149
Energy: 1.9919458374074983
Energy: 1.927954756100961
Energy: 1.9922140772028454
Energy: 1.9277915767339708
Energy: 1.9921296508387827
Energy: 1.9922230764689655
Energy: 1.9277915763378166
Energy: 1.9921296508405395
Energy: 1.9922230764689655
Energy: 1.9277915703768356
Energy: 1.9921296508418873
Energy: 1.992223076469864
Energy: 1.9277915713856033
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Energy: 1.995532665822316
Energy: 1.995555432755743
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Energy: 1.9955326658210089
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Energy: 1.9955326658205594
Energy: 1.995555432753047
Energy: 1.9978562303270737
Energy: 1.993348128328042
Energy: 1.9933431967191328
Energy: 1.9953360740187625
Energy: 1.9933481283257954
Energy: 1.9933431967173356
Energy: 1.9953360740192119
Energy: 1.9933481283271435
Energy: 1.993343196718234
Energy: 1.9953360740174146
Energy: 1.9933481283217513
Energy: 1.9954724704911526
Energy: 1.9980541756333932
Energy: 1.995595395930387
Energy: 1.995472470492501
Energy: 1.9980541756306975
Energy: 1.995595395932634
Energy: 1.9954724704933997
Energy: 1.9980541756262042
Energy: 1.9955953959294885
Energy: 1.9954724704929503
Energy: 1.9919458374101946
Energy: 1.927954759814018
Energy: 1.9922140772023962
Energy: 1.9919458374097452
Energy: 1.9279547743629828
Energy: 1.9922140772064398
Energy: 1.9919458374074983
Energy: 1.927954758250561
Energy: 1.9922140772023962
Energy: 1.9919458374097452
Energy: 1.9921296508378843
Energy: 1.9922230764689655
Energy: 1.9277915808094408
Energy: 1.9921296508396815
Energy: 1.9922230764694147
Energy: 1.927791574060686
Energy: 1.9921296508378843
Energy: 1.9922230764658198
Energy: 1.9277915710343831
Energy: 1.992129650840989
Energy: 1.9955326658245627
Energy: 1.9955554327512497
Energy: 1.997856230319435
Energy: 1.9955326658210089
Energy: 1.9955554327508003
Energy: 1.9978562303162897
Energy: 1.9955326658196608
Energy: 1.9955554327552936
Energy: 1.9978562303162897
Energy: 1.9955326658201102
Energy: 1.993343196718234
Energy: 1.995336074014269
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Energy: 1.9953360740169652
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Energy: 1.9933431967159874
Energy: 1.9953360740160664
Energy: 1.99334812832265
Energy: 1.9933431967173356
Energy: 1.9980541756297987
Energy: 1.9955953959335329
Energy: 1.9954724704911526
Energy: 1.9980541756306975
Energy: 1.9955953959321842
Energy: 1.995472470490254
Energy: 1.9980541756280015
Energy: 1.995595395930387
Energy: 1.9954724704911526
Energy: 1.9980541756289
Energy: 1.9279547580129421
Energy: 1.9922140772046426
Energy: 1.9919458374101946
Energy: 1.9279547652678988
Energy: 1.9922140772014973
Energy: 1.9919458374110932
Energy: 1.9279547560906263
Energy: 1.9922140772064398
Energy: 1.9919458374110932
Energy: 1.9279547785386553
Energy: 1.9922230764694147
Energy: 1.9277915699860735
Energy: 1.9921296508405395
Energy: 1.9922230764694147
Energy: 1.927791569783054
Energy: 1.99212965084009
Energy: 1.992223076468516
Energy: 1.927791574335559
Energy: 1.9921296508405395
Energy: 1.9922230764667184
Energy: 1.9955554327543947
Energy: 1.997856230319435
Energy: 1.9955326658201102
Energy: 1.9955554327575402
Energy: 1.9978562303203335
Energy: 1.9955326658192114
Energy: 1.9955554327548441
Energy: 1.997856230318087
Energy: 1.9955326658178636
Energy: 1.995555432751699
Energy: 1.9953360740169652
Energy: 1.9933481283235486
Energy: 1.9933431967168862
Energy: 1.9953360740178638
Energy: 1.993348128328042
Energy: 1.9933431967168862
Energy: 1.9953360740169652
Energy: 1.9933481283253462
Energy: 1.9933431967173356
Energy: 1.995336074015617
Energy: 1.9955953959344312
Energy: 1.9954724704942983
Energy: 1.9980541756293495
Energy: 1.995595395932634
Energy: 1.9954724704920517
Energy: 1.998054175631596
Energy: 1.9955953959339818
Energy: 1.9954724704938491
Energy: 1.9980541756280015
Energy: 1.995595395930387
Energy: 1.9922140772041934
Energy: 1.991945837409296
Energy: 1.9279547676002984
Energy: 1.992214077203744
Energy: 1.9919458374057422
Energy: 1.9279547764115226
Energy: 1.992214077203744
Energy: 1.9919458374088463
Energy: 1.9279547664365901
Energy: 1.9922140772046426
Energy: 1.9277915731897837
Energy: 1.9921296508418873
Energy: 1.992223076468516
Energy: 1.9277915902423057
Energy: 1.99212965084009
Energy: 1.9922230764671678
Energy: 1.927791570803504
Energy: 1.9921296508405395
Energy: 1.9922230764689655
Energy: 1.9277915739151403
Energy: 1.9978562303239287
Energy: 1.9955326658219075
Energy: 1.9955554327570908
Energy: 1.997856230318087
Energy: 1.9955326658196608
Energy: 1.9955554327548441
Energy: 1.9978562303185363
Energy: 1.9955326658165158
Energy: 1.995555432753047
Energy: 1.9978562303212322
Energy: 1.9933481283253462
Energy: 1.9933431967159874
Energy: 1.9953360740147181
Energy: 1.993348128324897
Energy: 1.9933431967177846
Energy: 1.9953360740196613
Energy: 1.9933481283266943
Energy: 1.9933431967173356
Energy: 1.9953360740178638
Energy: 1.9933481283244472
Energy: 1.9954724704920517
Energy: 1.9980541756306975
Energy: 1.9955953959317352
Energy: 1.9954724704907034
Energy: 1.998054175628451
Energy: 1.9955953959321842
Energy: 1.995472470490254
Energy: 1.9980541756289
Energy: 1.9955953959312858
Energy: 1.995472470492501

minimum gb energy = 1.927791569783054 eV
minimum distance =  2.34659594699429 Angstroms
sigma value = 15


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

Energy: 2.0236205603021875
Energy: 1.9446111914137238
Energy: 1.9457664787946816
Energy: 1.982288105352793
Energy: 1.9446111914076134
Energy: 1.9457664787946816
Energy: 2.0236205603062607
Energy: 1.9446111914076134
Energy: 1.9457664787946816
Energy: 1.982288105352793
Energy: 1.991071211892503
Energy: 1.8983690941527578
Energy: 1.888420791208152
Energy: 1.9910712118863925
Energy: 1.8983690941568312
Energy: 1.888420791208152
Energy: 1.9910712118884293
Energy: 1.8983690941609048
Energy: 1.888420791208152
Energy: 1.9910712118945395
Energy: 1.8766816894502638
Energy: 1.8738857577498493
Energy: 2.1466577789940886
Energy: 1.8766816894543374
Energy: 1.8738857577417019
Energy: 2.146657778992052
Energy: 1.8766816894563747
Energy: 1.8738857577498493
Energy: 2.1466577789859413
Energy: 1.8766816894482272
Energy: 1.8819554280699375
Energy: 1.873270756063288
Energy: 1.8793011788930662
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Energy: 1.8732707560470303
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Energy: 1.8955922637215998
Energy: 2.044077110570227
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Energy: 1.8955922637215998
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Energy: 1.8905342451342317
Energy: 1.8955922637175262
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Energy: 1.99579178904595
Energy: 1.8688666171453805
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Energy: 1.9957917890479868
Energy: 1.8688666171494541
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Energy: 1.8866725654734733
Energy: 1.875267205256613
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Energy: 1.8906358132223133
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Energy: 2.026413965937925
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Energy: 1.89063581322435
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Energy: 1.8875593125149728
Energy: 1.9332293987591012
Energy: 1.9256194924456966
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Energy: 1.9133520563032949
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Energy: 1.9332293987489164
Energy: 1.9256194924436594
Energy: 1.9296938177514424
Energy: 1.9332293987652114
Energy: 1.8928889863464253
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Energy: 1.9643526553162496
Energy: 1.8926054952018345
Energy: 2.0337193325291634
Energy: 1.9764010978786912
Energy: 1.8928889863484624
Energy: 2.0337193325352736
Energy: 1.96435265532236
Energy: 1.892605495197798
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Energy: 1.8432847282459843
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Energy: 1.9201997620093818
Energy: 1.8432847282500582
Energy: 2.0042094096263927
Energy: 1.9201997620053082
Energy: 2.008731790873142
Energy: 1.8637148167082203
Energy: 1.8767322023937574
Energy: 2.0087317908772158
Energy: 1.8637122336698617
Energy: 1.8767322023957944
Energy: 2.008731790871105
Energy: 1.8637148167061837
Energy: 1.8767322023957944
Energy: 2.008731790867031
Energy: 1.9697939313414667
Energy: 1.870185561625743
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Energy: 1.8911312688361448
Energy: 1.969793931337393
Energy: 1.870185561625743
Energy: 1.8911312688402186
Energy: 1.9697939313435038
Energy: 1.8679351798535562
Energy: 1.8680608051513614
Energy: 2.0120748573830918
Energy: 1.86793517985763
Energy: 1.868060805159509
Energy: 2.0120748562938586
Energy: 1.8679351798535562
Energy: 1.868060805157472
Energy: 2.012074856422143
Energy: 1.8679351798515198
Energy: 1.982868182386946
Energy: 1.8964944303104583
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Energy: 1.98286818239102
Energy: 1.896494430308421
Energy: 1.8982839285677822
Energy: 1.98286818239102
Energy: 1.8964944303104583
Energy: 1.8982637198200543
Energy: 1.98286818239102
Energy: 1.8811871559012463
Energy: 1.9530249546775784
Energy: 1.8733696987802029
Energy: 1.881187155903283
Energy: 1.9530249546735046
Energy: 1.8733696987842767
Energy: 1.8811871559053197
Energy: 1.9530249546755412
Energy: 1.8733696987822401
Energy: 1.881187155903283
Energy: 1.910199524895801
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Energy: 1.910199524895801
Energy: 2.0957276445272472
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Energy: 1.9101995248917274
Energy: 2.0957276445252098
Energy: 1.9516571388405501
Energy: 1.910199524897838
Energy: 2.142262008163952
Energy: 1.8979815282295514
Energy: 1.897894204387896
Energy: 2.142262008159878
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Energy: 1.8978942043858593
Energy: 2.142262008159878
Energy: 1.897981528231588
Energy: 1.897894204389933
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Energy: 1.9064247091089603
Energy: 1.9108091786294221
Energy: 1.8795197947318687
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Energy: 1.9108091786253485
Energy: 1.8795197947277948
Energy: 1.906424709113034
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Energy: 1.8795197947298317
Energy: 1.8750272310106053
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Energy: 1.8750272310085685
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Energy: 1.9556338000460631
Energy: 1.8750272310024578
Energy: 1.8985090676810474
Energy: 1.955633800044026
Energy: 1.8750272310106053
Energy: 1.9653671952005267
Energy: 1.8928507951714952
Energy: 1.9056347734384413
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Energy: 1.8928507951714952
Energy: 1.9056347734364045
Energy: 1.9653671951944163
Energy: 1.8928507951735318
Energy: 1.9056347734364045
Energy: 1.9653671951984901
Energy: 1.899358624436454
Energy: 2.0285839633428333
Energy: 1.8684310044941994
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Energy: 2.0285839633469065
Energy: 1.8684310044901258
Energy: 1.8993586244405278
Energy: 2.0285839633489435
Energy: 1.8684310044880887
Energy: 1.899358624442565
Energy: 1.9744721846827367
Energy: 1.8848101292959913
Energy: 1.8996669636455688
Energy: 1.9747035159829767
Energy: 1.8845565484897882
Energy: 1.8996669636455688
Energy: 1.9744721846868105
Energy: 1.884810129298028
Energy: 1.8996669636455688
Energy: 1.9747035159829767
Energy: 1.8695398156793657
Energy: 1.9444563386941172
Energy: 1.845073232172497
Energy: 1.8695398156813658
Energy: 1.9444563387002276
Energy: 1.8450732321704602
Energy: 1.8695398156813658
Energy: 1.9444563387022646
Energy: 1.8450732321704602
Energy: 1.8695398156793657
Energy: 1.876953533963705
Energy: 1.9150672474908534
Energy: 1.9217415980023682
Energy: 1.876953533963705
Energy: 1.9150672474949273
Energy: 1.9217415979982944
Energy: 1.876953533963705
Energy: 1.9150672474847426
Energy: 1.9217415980104786
Energy: 1.8769535339677785
Energy: 1.8902729646455505
Energy: 1.9813328493084077
Energy: 1.908472208586283
Energy: 1.8902698752757594
Energy: 1.9813328493063704
Energy: 1.9082386669600457
Energy: 1.8902729646394403
Energy: 1.981332849304334
Energy: 1.908472208586283
Energy: 1.8902698752737224
Energy: 2.009826514217597
Energy: 1.844326752497056
Energy: 1.9957542883415773
Energy: 2.0098265142135237
Energy: 1.8443267525011298
Energy: 1.9957542883415773
Energy: 2.0098265142155607
Energy: 1.8443267524950193
Energy: 1.9957542883415773
Energy: 2.0098265142196343
Energy: 1.8791268753189723
Energy: 1.899247961467462
Energy: 2.2140182577920684
Energy: 1.8791268753189723
Energy: 1.8992479614714988
Energy: 2.2140182577920684
Energy: 1.879126875321009
Energy: 1.8992479614694986
Energy: 2.214018257781921
Energy: 1.8791268753189723
Energy: 1.8797135102066649
Energy: 1.8620450809018947
Energy: 1.8702927923760937
Energy: 1.8805086348440538
Energy: 1.8620759073321105
Energy: 1.8702927923740567
Energy: 1.8797135102107387
Energy: 1.8620450809059685
Energy: 1.87029279237202
Energy: 1.8805086348399802
Energy: 1.9121319240280084
Energy: 1.8675119751525986
Energy: 1.8744963928066642
Energy: 1.9121319240341192
Energy: 1.8675119751566722
Energy: 1.874496392808701
Energy: 1.9121319240280084
Energy: 1.8675119751546356
Energy: 1.8744963928066642
Energy: 1.9121319240280084
Energy: 1.9258942095991738
Energy: 1.9543154329274837
Energy: 1.9042457622973434
Energy: 1.925894209597137
Energy: 1.9543154329356311
Energy: 1.9049895451250862
Energy: 1.925894209597137
Energy: 1.9543154329335943
Energy: 1.9042457622953066
Energy: 1.9258942095930631
Energy: 1.8474918528589168
Energy: 1.9108293788303814
Energy: 1.8721814046851553
Energy: 1.8474918528568804
Energy: 1.9108293788364548
Energy: 1.8721814046871919
Energy: 1.8474918528589168
Energy: 1.910829378834418
Energy: 1.8721814046831182
Energy: 1.8474918528568804
Energy: 1.9057283562987344
Energy: 1.8676445225074576
Energy: 1.869300967333393
Energy: 1.9076866361616
Energy: 1.8676445225074576
Energy: 1.869300967333393
Energy: 1.9057283562966976
Energy: 1.8676445225054208
Energy: 1.869300967333393
Energy: 1.9076866361555262
Energy: 1.9044926530403983
Energy: 1.8778928186375978
Energy: 2.0173930032579155
Energy: 1.9068196421153698
Energy: 1.8778928186375978
Energy: 2.1056320741158197
Energy: 1.9044926530444721
Energy: 1.8778928186437083
Energy: 2.017393003259952
Energy: 1.9068196421112964
Energy: 1.8449533265860065
Energy: 2.029363824356216
Energy: 1.9113067641917982
Energy: 1.844953326594154
Energy: 2.0293638243541787
Energy: 1.9113067641978716
Energy: 1.8449533265961542
Energy: 2.029363824356216
Energy: 1.9113067641917982
Energy: 1.8449533265839702
Energy: 1.9588422322185435
Energy: 1.8985297617818426
Energy: 1.8744058463934044
Energy: 1.9588422322144698
Energy: 1.8985297617838792
Energy: 1.874405846397478
Energy: 1.958842232210396
Energy: 1.8985297617818426
Energy: 1.8744058463934044
Energy: 1.9588422322185435
Energy: 1.9111831308729776
Energy: 1.870657563890899
Energy: 1.86706049077105
Energy: 1.9111831308709406
Energy: 1.8706575638868255
Energy: 1.8674426673395346
Energy: 1.9111831308709406
Energy: 1.870657563892936
Energy: 1.86706049077105
Energy: 1.9111831308668668
Energy: 1.9459134121117747
Energy: 1.991993296884591
Energy: 1.8637391950188704
Energy: 1.9459134121117747
Energy: 1.991993296884591
Energy: 1.8637391950127602
Energy: 1.9459134121117747
Energy: 1.9919932968825542
Energy: 1.8637391950188704
Energy: 1.9459134121117747
Energy: 1.8777269256349198
Energy: 2.1307418950829558
Energy: 1.8992982999449768
Energy: 1.877726925630846
Energy: 2.130741895078882
Energy: 1.899298299934793
Energy: 1.877726925630846
Energy: 2.130741895080919
Energy: 1.8992982999388666
Energy: 1.8777269256349198
Energy: 1.9930502364399891
Energy: 1.9351141184897458
Energy: 1.847042469037433
Energy: 1.993050236442026
Energy: 1.9351141184836353
Energy: 1.8470424690333593
Energy: 1.9930502364379523
Energy: 1.9351141184856722
Energy: 1.847042469035396
Energy: 1.9930502364379523
Energy: 1.8855366903581103
Energy: 1.983218808406162
Energy: 1.9218225514408227
Energy: 1.8855366903519994
Energy: 1.9832188084122722
Energy: 1.9218225514387859
Energy: 1.8855366903519994
Energy: 1.983218808414309
Energy: 1.9218225514448963
Energy: 1.8855366903499629
Energy: 1.8744039249761844
Energy: 1.9231005073116672
Energy: 1.907620760409155
Energy: 1.874403924982295
Energy: 1.9237025787323399
Energy: 1.9090025966610635
Energy: 1.8744039249721107
Energy: 1.9231005073137037
Energy: 1.907620760419302
Energy: 1.8744039249741475
Energy: 1.906897919646532
Energy: 1.8436608251175477
Energy: 1.9510173533662902
Energy: 1.9068979196526425
Energy: 1.8436608251175477
Energy: 1.9510173533744377
Energy: 1.9068979196526425
Energy: 1.8436608251114375
Energy: 1.9510173533785116
Energy: 1.9068979196444955
Energy: 1.9394553807094614
Energy: 2.045898329575858
Energy: 1.8893071586067436
Energy: 1.9394553807155717
Energy: 2.0458983295778945
Energy: 1.889307158604744
Energy: 1.9394553807155717
Energy: 2.045898329575858
Energy: 1.8893071586108174
Energy: 1.9394553807094614
Energy: 1.96312799363294
Energy: 1.8634098490246673
Energy: 1.8899863988069656
Energy: 1.9631279936309034
Energy: 1.8634090246521011
Energy: 1.889986398815113
Energy: 1.96312799363294
Energy: 1.863409849020594
Energy: 1.889986398815113
Energy: 1.9631279936349773
Energy: 1.9091877420592736
Energy: 1.908368744027353
Energy: 1.873769720651067
Energy: 1.9091877420613101
Energy: 1.9083687440293895
Energy: 1.8737697206449564
Energy: 1.9091877420633474
Energy: 1.908368744027353
Energy: 1.8737697206490302
Energy: 1.9091877420613101
Energy: 1.9887223872955373
Energy: 1.9401402480418894
Energy: 1.897607485024109
Energy: 1.9887223872955373
Energy: 1.9401402480439263
Energy: 1.8976096443903898
Energy: 1.9887223872894269
Energy: 1.9401402480439263
Energy: 1.897607485022072
Energy: 1.9887223872935005
Energy: 1.8471856566982152
Energy: 1.903997914973558
Energy: 1.9784692596195177
Energy: 1.8471856567043259
Energy: 1.903997914963374
Energy: 1.9784692596215543
Energy: 1.847185656692105
Energy: 1.903997914963374
Energy: 1.9784692596235913
Energy: 1.8471856566961788
Energy: 1.9075963322946816
Energy: 2.1178123997284506
Energy: 1.877776587981113
Energy: 1.907596332292645
Energy: 2.1178123997284506
Energy: 1.877776587981113
Energy: 1.9075963322946816
Energy: 2.117812399730487
Energy: 1.877776587981113
Energy: 1.907596332292645

minimum gb energy = 1.8432847282459843 eV
minimum distance =  2.2715014561133 Angstroms
sigma value = 437


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

Energy: 1.7213794780051268
Energy: 1.946308991220569
Energy: 1.947072986631582
Energy: 1.7213794780051268
Energy: 1.9463089912213112
Energy: 1.947072986633066
Energy: 1.7213794780051268
Energy: 1.946308991220569
Energy: 1.947072986631582
Energy: 1.721379478004385
Energy: 1.7850629672483391
Energy: 1.6730889544183005
Energy: 1.6889571681330224
Energy: 1.785062967247597
Energy: 1.6730889544197847
Energy: 1.688957168133764
Energy: 1.785062967246855
Energy: 1.6730889544197847
Energy: 1.6889571681323137
Energy: 1.785062967247597
Energy: 1.6594864939430802
Energy: 1.6572469874867155
Energy: 1.6678752913934283
Energy: 1.6594864939423382
Energy: 1.6572469874874578
Energy: 1.6678050826962387
Energy: 1.6594864939430802
Energy: 1.6572469874867155
Energy: 1.6678316684138432
Energy: 1.6594864939423382
Energy: 1.6963166393904243
Energy: 1.7850088463423326
Energy: 1.6965917397355266
Energy: 1.6963166393889404
Energy: 1.7850088463393643
Energy: 1.6965917397325585
Energy: 1.6963166393889404
Energy: 1.7850088463408484
Energy: 1.6965917397362686
Energy: 1.6963166393881985
Energy: 1.723928599898778
Energy: 1.6960506351947162
Energy: 2.13713509587534
Energy: 1.7239285998995202
Energy: 1.6960506351954583
Energy: 2.137135095877566
Energy: 1.723928599898778
Energy: 1.6960506351947162
Energy: 2.13713509587534
Energy: 1.7239285998995202
Energy: 1.6940296804588515
Energy: 1.7929852957088777
Energy: 1.6746865891660843
Energy: 1.6940296804581092
Energy: 1.7929852957088777
Energy: 1.6746865891646003
Energy: 1.6940296804588515
Energy: 1.7929852957081356
Energy: 1.674686589165342
Energy: 1.6940296804581092
Energy: 1.783993100504961
Energy: 1.7211833769710145
Energy: 1.6574958972051526
Energy: 1.7839931005057028
Energy: 1.7211833769695306
Energy: 1.6574958972051526
Energy: 1.783993100504961
Energy: 1.7211833769710145
Energy: 1.6574958972051526
Energy: 1.783993100507187
Energy: 1.6796524355036333
Energy: 1.8566972197728187
Energy: 1.6881137495556415
Energy: 1.6796524355028912
Energy: 1.8566972197728187
Energy: 1.6881137495534153
Energy: 1.6796524355051172
Energy: 1.8566972197728187
Energy: 1.6881137495556415
Energy: 1.6796524355021492
Energy: 1.9359162741180198
Energy: 1.6969707037162143
Energy: 1.6963431617867988
Energy: 1.9359162741239562
Energy: 1.696970703713246
Energy: 1.6963431617890248
Energy: 1.9359162741031786
Energy: 1.6969707037162143
Energy: 1.6963431617867988
Energy: 1.935916274120246
Energy: 1.700729036959805
Energy: 1.8194129960266392
Energy: 2.1617619177347005
Energy: 1.700729036961289
Energy: 1.8194129960258973
Energy: 2.1617619177361846
Energy: 1.700729036959063
Energy: 1.8194129960266392
Energy: 2.161761917733959
Energy: 1.7007290369605472
Energy: 1.657782799476097
Energy: 1.6583336425420323
Energy: 1.7459905032023428
Energy: 1.657782799473129
Energy: 1.6573894890028937
Energy: 1.7459905032001166
Energy: 1.6577827994775474
Energy: 1.657389488998441
Energy: 1.7459905032023428
Energy: 1.6577827994738707
Energy: 1.8190573750446812
Energy: 1.6749276558513908
Energy: 1.8980406009464525
Energy: 1.819057375043197
Energy: 1.674927655852875
Energy: 1.8980406009464525
Energy: 1.819057375045423
Energy: 1.674927655852875
Energy: 1.8980406009464525
Energy: 1.819057375043939
Energy: 1.6964597775144024
Energy: 2.1682752956749005
Energy: 1.6962789172116375
Energy: 1.6964597775121766
Energy: 2.1682752956756426
Energy: 1.6962789172116375
Energy: 1.6964597775144024
Energy: 2.1682752956756426
Energy: 1.6962789172108952
Energy: 1.6964597775121766
Energy: 1.699210273349006
Energy: 1.6753530946118653
Energy: 1.784693790190741
Energy: 1.6992102733475218
Energy: 1.6753530946111235
Energy: 1.7846937901944515
Energy: 1.699210273349006
Energy: 1.6753530946118653
Energy: 1.784693790189999
Energy: 1.699210273349006

minimum gb energy = 1.6572469874867155 eV
minimum distance =  2.28367908385712 Angstroms
sigma value = 33