Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
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=3.606302589178085
cohesive_energy=4.204648203132152
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: 0.01850858514372772
Energy: 0.5553922808067849
Energy: 0.5553922808082374
Energy: 0.018508585145180213
Energy: 0.5553922808082374
Energy: 0.5553922808067849
Energy: 0.018508585145180213
Energy: 0.5553922808067849
Energy: 0.5553922808082374
Energy: 0.018508585145180213
Energy: 0.5507747514643601
Energy: 0.022892521641858628
Energy: 0.5504353494383056
Energy: 0.5507747514643601
Energy: 0.02289252163895364
Energy: 0.550435349436853
Energy: 0.5507747514643601
Energy: 0.022892521641858628
Energy: 0.550435349436853
Energy: 0.5507747514658126
Energy: 0.9390419493564667
Energy: 0.5804630823377257
Energy: 0.7319656161203228
Energy: 2.428590670497148
Energy: 1.0219906360612188
Energy: 0.020011259290222416
Energy: 1.9830264492498704
Energy: 0.3317850899688515
Energy: 0.02001125928876992
Energy: 1.1951461920463058
Energy: 0.5507747514643601
Energy: 0.5504353494354006
Energy: 0.022892521641858628
Energy: 0.5507747514658126
Energy: 0.550435349436853
Energy: 0.022892521640406133
Energy: 0.5507747514643601
Energy: 0.5504353494354006
Energy: 0.022892521641858628
Energy: 0.5507747514658126
Energy: 0.018508585145180213
Energy: 0.5553922808067849
Energy: 0.5553922808053325
Energy: 0.01850858514372772
Energy: 0.5553922808053325
Energy: 0.5553922808053325
Energy: 0.018508585145180213
Energy: 0.5553922808067849
Energy: 0.5553922808053325
Energy: 0.01850858514372772
Energy: 0.5507747514643601
Energy: 0.022892521640406133
Energy: 0.550435349436853
Energy: 0.5507747514658126
Energy: 0.022892521640406133
Energy: 0.5504353494354006
Energy: 0.5507747514643601
Energy: 0.022892521640406133
Energy: 0.5504353494354006
Energy: 0.5507747514658126
Energy: 1.1951244711087787
Energy: 0.5804630823377257
Energy: 0.9276778215541547
Energy: 1.1951164453283663
Energy: 1.0219906360612188
Energy: 0.02001125929167491
Energy: 1.195138533845895
Energy: 0.33178508996739897
Energy: 0.020011259290222416
Energy: 1.1951338328682275

minimum gb energy = 0.01850858514372772 eV
minimum distance =  2.30096206973571 Angstroms
sigma value = 3


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

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Energy: 1.552705552443991
Energy: 1.5521697945195294
Energy: 1.245536620549834
Energy: 1.5527055524358404
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Energy: 1.5527055524418563
Energy: 1.552169794527357
Energy: 1.245536620554815
Energy: 1.3489028648382138
Energy: 1.1908574080427339
Energy: 1.5139111445578033
Energy: 1.348902864836079
Energy: 1.1908574078677518
Energy: 1.513911144554957
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Energy: 1.5424443386956175
Energy: 1.3867209953319175
Energy: 1.5136572144665805
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Energy: 1.3867209953262247
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Energy: 1.552168079914801
Energy: 1.2036931434347422
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Energy: 1.2008239107372263
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Energy: 1.5528563184653503
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Energy: 1.1918848122153547
Energy: 1.5137449809107277
Energy: 1.3071806399050647
Energy: 1.1849957516306002
Energy: 1.554225072652304
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Energy: 1.1849926712512333
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Energy: 1.2461114774080833
Energy: 1.5528015354033695
Energy: 1.5527763729682507
Energy: 1.246111477408795
Energy: 1.5528015354083506
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Energy: 1.1910754651425115
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Energy: 1.5140738971836698
Energy: 1.5136756570671104
Energy: 1.5530473580398925
Energy: 1.5526934846463343
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Energy: 1.5530473580388575
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Energy: 1.2038963083736163
Energy: 1.5530473580388575
Energy: 1.5559222929095378
Energy: 1.3378894463808924
Energy: 1.2001882805945256
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Energy: 1.3378894463858089
Energy: 1.2001817622397746
Energy: 1.5559222929059797
Energy: 1.3378894463829625
Energy: 1.2001857379109753
Energy: 1.5559222929095378
Energy: 1.1550808218232897
Energy: 1.5133806838461465
Energy: 1.514539319995598
Energy: 1.1550808218236779
Energy: 1.5133806838415536
Energy: 1.5145393200030375
Energy: 1.1550808218251012
Energy: 1.513380683847246
Energy: 1.5145393199948867
Energy: 1.1550808218236779
Energy: 1.5529886204086552
Energy: 1.2036369392631336
Energy: 1.5518961684935102
Energy: 1.5529886204126009
Energy: 1.2036369392720605
Energy: 1.5518961684981678
Energy: 1.552988620409043
Energy: 1.2036369392666917
Energy: 1.55189616849778
Energy: 1.5529886204107897
Energy: 1.2120321029669034
Energy: 1.5139767270134898
Energy: 1.3489138969024426
Energy: 1.2120323763668062
Energy: 1.5139767270138778
Energy: 1.3489138969106578
Energy: 1.2120322084071475
Energy: 1.5139767270145896
Energy: 1.3489138969063883
Energy: 1.2120327753747313
Energy: 1.3080115906197323
Energy: 1.5137527662895611
Energy: 1.1918342829088888
Energy: 1.308011590604401
Energy: 1.5137527662863914
Energy: 1.1918342829107003
Energy: 1.3080115906197323
Energy: 1.5137527662913723
Energy: 1.1918342829081774
Energy: 1.3080115906058243
Energy: 1.2031037461163574
Energy: 1.5527055524401097
Energy: 1.5521697945152602
Energy: 1.2031037461146106
Energy: 1.5527055524372633
Energy: 1.552169794516683
Energy: 1.203103746114934
Energy: 1.5527055524414681
Energy: 1.5521697945195294
Energy: 1.203103746113511
Energy: 1.3489028648349795
Energy: 1.1908574079481595
Energy: 1.5139111445528222
Energy: 1.3489028648517336
Energy: 1.190857408028826
Energy: 1.5139111445432485
Energy: 1.3489028648378256
Energy: 1.1908574078528087
Energy: 1.5139111445521107
Energy: 1.3489028648431949
Energy: 1.5773065589908022
Energy: 1.3867209953390334
Energy: 1.5136572147656349
Energy: 1.5773070255716009
Energy: 1.3867209953297828
Energy: 1.5136572136909663
Energy: 1.577307462581901
Energy: 1.3867209953280362
Energy: 1.5136572140025057
Energy: 1.5773080926984473
Energy: 1.5525213226794161
Energy: 1.5521680799069737
Energy: 1.2036931434344187
Energy: 1.5525213226818741
Energy: 1.5521680799201054
Energy: 1.2036931434397233
Energy: 1.5525213226765697
Energy: 1.5521680799080086
Energy: 1.2036931434375886
Energy: 1.5525213226822625

minimum gb energy = 1.1550808218232897 eV
minimum distance =  2.38864515188517 Angstroms
sigma value = 75


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

Energy: 1.7423808011481325
Energy: 1.4457677721855595
Energy: 1.4458691072362406
Energy: 1.6147150268536365
Energy: 1.4457677722098325
Energy: 1.4458691072379768
Energy: 1.7423808011359805
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Energy: 1.7076543686042673
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Energy: 1.6113866781391497
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minimum gb energy = 1.4454792682813522 eV
minimum distance =  2.26227454329727 Angstroms
sigma value = 105


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

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Energy: 1.6187973795416206
Energy: 1.6561668288187399
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Energy: 1.6188093738618907
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Energy: 1.6187973795474961
Energy: 1.650197102323578
Energy: 1.698769802601996
Energy: 1.6272823058528367
Energy: 1.6079182595895025
Energy: 1.725506213602524
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Energy: 1.6079182595895025
Energy: 1.698769802601996
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Energy: 1.6121329950692158
Energy: 1.6713194783929273
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Energy: 1.6713194783929273
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Energy: 1.5563698929940026
Energy: 1.6537217210802082
Energy: 1.5564473981220477
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Energy: 1.5564473981298816
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Energy: 1.833279269559691
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Energy: 1.6398542006336512
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Energy: 1.6724334149050502
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Energy: 1.717634900847099
Energy: 1.713425177800648
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Energy: 1.6413824497827436
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Energy: 1.6697965179735843
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Energy: 1.6697964226781585
Energy: 1.6536999044172518
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Energy: 1.6697965179775014
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Energy: 1.5573180976249672
Energy: 1.700024146661878
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Energy: 1.7000241466677537
Energy: 1.5358349922758412
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Energy: 1.5358349922777996
Energy: 1.5856646454313352
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Energy: 1.535834992281717
Energy: 1.7312217054412298
Energy: 1.7070576179491201
Energy: 1.7095923344028632
Energy: 1.7207576080715399
Energy: 1.7074988738897792
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Energy: 1.624026760952915
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Energy: 1.6901249947755603
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Energy: 1.6901249947794772
Energy: 1.6170601660912525
Energy: 1.8136246690001303
Energy: 1.5886362374517478
Energy: 1.6170601660990864
Energy: 1.8136246689922961
Energy: 1.5886362374517478
Energy: 1.6170601660990864
Energy: 1.8136246690001303
Energy: 1.5886362374537064
Energy: 1.6170601660990864
Energy: 1.5491591766923207
Energy: 1.669321166232285
Energy: 1.6701117869607336
Energy: 1.549159176690362
Energy: 1.6693211662362024
Energy: 1.6701117869666093
Energy: 1.5491591766884034
Energy: 1.6693211662205338
Energy: 1.6701117869666093
Energy: 1.5491591766805695
Energy: 1.5565647843578134
Energy: 1.6193570754786668
Energy: 1.598149849776022
Energy: 1.5565647843538963
Energy: 1.6193029954916542
Energy: 1.598149849776022
Energy: 1.5565647843578134
Energy: 1.6193570754845423
Energy: 1.5981498497740636
Energy: 1.5565647843578134
Energy: 1.8585681502370985
Energy: 1.6184342894190227
Energy: 1.6281819310845245
Energy: 1.8585681502331817
Energy: 1.6184530385997853
Energy: 1.6281819310864831
Energy: 1.85856815023514
Energy: 1.6184342894190227
Energy: 1.628181931078649
Energy: 1.85856815023514
Energy: 1.6244711118046806
Energy: 1.6244998473279668
Energy: 1.6734602523561493
Energy: 1.6244711118046806
Energy: 1.6244998473279668
Energy: 1.6734602523522322
Energy: 1.6244711118085977
Energy: 1.6244998473279668
Energy: 1.6734602523522322
Energy: 1.6244711118066393
Energy: 1.5855602447181594
Energy: 1.8191841272507354
Energy: 1.673464871182914
Energy: 1.5855602447220765
Energy: 1.8177886977955273
Energy: 1.6734648711848727
Energy: 1.5855602447240351
Energy: 1.8191841272507354
Energy: 1.6734648711848727
Energy: 1.5855602447142423
Energy: 1.7339359765769247
Energy: 1.6488452873716892
Energy: 1.6796133794793011
Energy: 1.7339359765847588
Energy: 1.6488665856339897
Energy: 1.6796133794812598
Energy: 1.7339359765867175
Energy: 1.6488452873638548
Energy: 1.6796133794871353
Energy: 1.7339359765769247
Energy: 1.6507169907182673
Energy: 1.6184415259680318
Energy: 1.650289858637126
Energy: 1.6507169907221844
Energy: 1.6184424237454729
Energy: 1.6502898586410428
Energy: 1.6507169907123918
Energy: 1.6184415259699905
Energy: 1.6502898586488772
Energy: 1.6507169907084747

minimum gb energy = 1.5356621039979605 eV
minimum distance =  2.34559412579661 Angstroms
sigma value = 165


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

Energy: 1.6883543442054068
Energy: 1.7301958762105387
Energy: 1.730167735628223
Energy: 1.6883543442013726
Energy: 1.7301958762071772
Energy: 1.7301677356241887
Energy: 1.6883543442047344
Energy: 1.7301958762112113
Energy: 1.7301677356275507
Energy: 1.6883543442007003
Energy: 1.728547099699602
Energy: 1.6753548353599965
Energy: 1.7833835771489381
Energy: 1.7285470996975851
Energy: 1.675354835370082
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Energy: 1.7285470996989296
Energy: 1.675354835368065
Energy: 1.7833835771502828
Energy: 1.7285470996975851
Energy: 1.7131583407894702
Energy: 1.7637455069116366
Energy: 1.6161837768399683
Energy: 1.7131583407921593
Energy: 1.7637455069129815
Energy: 1.6161836185872882
Energy: 1.7131583407854356
Energy: 1.7637455069149985
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Energy: 1.7131583407901425
Energy: 1.783649904462885
Energy: 1.7725835362815574
Energy: 1.6760267049562807
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Energy: 1.783649904462885
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Energy: 1.783147945025023
Energy: 1.728746407516471
Energy: 1.7291728623655789
Energy: 1.7831479450256955
Energy: 1.7299822702444145
Energy: 1.7721536006416436
Energy: 1.796635182104825
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Energy: 1.7721536006416436
Energy: 1.7966348405284525
Energy: 1.7299822702491212
Energy: 1.7721536006423158
Energy: 1.7966347025421303
Energy: 1.7299822702531553
Energy: 1.6760323233697307
Energy: 1.7727517774770152
Energy: 1.8117238136840192
Energy: 1.6760323233777994
Energy: 1.7727517774763428
Energy: 1.8117238061265477
Energy: 1.6760323233656966
Energy: 1.7727517774783599
Energy: 1.811723683219594
Energy: 1.6760323233818337
Energy: 1.785461711440639
Energy: 1.6163692093619793
Energy: 1.8344987759297726
Energy: 1.785461712390274
Energy: 1.616367466040012
Energy: 1.8344987759297726
Energy: 1.7854617120864837
Energy: 1.6163717482345186
Energy: 1.8344987759311173
Energy: 1.7854617113223625
Energy: 1.7837698292909534
Energy: 1.6760224801126156
Energy: 1.772195119471982
Energy: 1.7837698292970048
Energy: 1.6760224801052193
Energy: 1.7721951194699652
Energy: 1.7837698292909534
Energy: 1.676022480115977
Energy: 1.77219511947131
Energy: 1.7837698292983495
Energy: 1.7131766475155439
Energy: 1.6162488713513525
Energy: 1.7637672006856147
Energy: 1.713176647512243
Energy: 1.6162488633812278
Energy: 1.7637672343243085
Energy: 1.7131766475189056
Energy: 1.6162488647374649
Energy: 1.7637671646752173
Energy: 1.7131766475129155
Energy: 1.7290135084209854
Energy: 1.7835482063155694
Energy: 1.6750355716404293
Energy: 1.7290135084176232
Energy: 1.7835482063122685
Energy: 1.6750355716357226
Energy: 1.729013508420313
Energy: 1.7835482063162418
Energy: 1.6750355716384118
Energy: 1.7290135084176232
Energy: 1.6883543442080964
Energy: 1.7301958762138396
Energy: 1.730167735631585
Energy: 1.6883543442067517
Energy: 1.730195876212495
Energy: 1.7301677356288954
Energy: 1.6883543442027173
Energy: 1.7301958762138396
Energy: 1.730167735633602
Energy: 1.6883543442047344

minimum gb energy = 1.6161832522563457 eV
minimum distance =  2.3285963408906 Angstroms
sigma value = 41


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

Energy: 1.59454849887875
Energy: 1.5902339429837062
Energy: 1.5922357719426896
Energy: 1.5866462004421438
Energy: 1.5902339429837062
Energy: 1.5922357719452984
Energy: 1.5945484988735328
Energy: 1.5902339429784886
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Energy: 1.5866462004343176
Energy: 1.5939787780621346
Energy: 1.3940922098059334
Energy: 1.6411685853193532
Energy: 1.5939787780830046
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Energy: 1.5939787780621346
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Energy: 1.390141544401002
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Energy: 1.4915775506852762
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Energy: 1.5834323887335662
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Energy: 1.390742924904245
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Energy: 1.5414211070652168
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Energy: 1.594336505440097
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Energy: 1.5022448058510047
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Energy: 1.3912067293708885
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Energy: 1.6903167922690099
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Energy: 1.4796121231844004
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Energy: 1.428753448126119
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Energy: 1.5228842023801321
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Energy: 1.6111455383874418
Energy: 1.3903525093329008
Energy: 1.6168935777626303
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Energy: 1.5736083787381385
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Energy: 1.58677810803989
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Energy: 1.5867781080346726
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Energy: 1.526468528766251
Energy: 1.5399991540001852
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Energy: 1.5402120894485885
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Energy: 1.4877345148791772
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Energy: 1.4877345148739596
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Energy: 1.3908512820711625
Energy: 1.4975833166897399
Energy: 1.5016625775063532
Energy: 1.3940138130456523
Energy: 1.4975833166845223
Energy: 1.5016625774959658
Energy: 1.394013813048261
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Energy: 1.4975833166740875
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Energy: 1.9145981428389645
Energy: 1.3971220657939893
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Energy: 1.914598142820703
Energy: 1.3971220657861632
Energy: 1.5908504033338384
Energy: 1.5245098423240966
Energy: 1.4628919042885105
Energy: 1.537194912354431
Energy: 1.4274762833072783
Energy: 1.4628919042676405
Energy: 1.5371949123466049
Energy: 1.524509842329314
Energy: 1.4628919042754664
Energy: 1.5371949123387785
Energy: 1.4274762833072783
Energy: 1.6641985261027008
Energy: 1.3901035997987068
Energy: 1.638887964084069
Energy: 1.6641985260974834
Energy: 1.3901035997778368
Energy: 1.6388879640918952
Energy: 1.6641985261079184
Energy: 1.3901035997934894
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Energy: 1.664198526113136
Energy: 1.5309306610832758
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Energy: 1.464544290380605
Energy: 1.5309306610963194
Energy: 1.4694048753408984
Energy: 1.4644898747603712
Energy: 1.5309306610937106
Energy: 1.4694048753565037
Energy: 1.4645442903858223
Energy: 1.5309306611015367
Energy: 1.5589761521069319
Energy: 1.56459824697343
Energy: 1.4622946818906541
Energy: 1.5589761521095407
Energy: 1.5645982469708215
Energy: 1.4625821632341793
Energy: 1.5589761521173668
Energy: 1.5645982469786477
Energy: 1.4622946819063067
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Energy: 1.4698205441704904
Energy: 1.7123624497475727
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Energy: 1.7123624497501815
Energy: 1.5257924908902352
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Energy: 1.712362449742355
Energy: 1.5257924908745826
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Energy: 1.4622166587933076
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Energy: 1.4196653182783405
Energy: 1.4197019825809158
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Energy: 1.4196653182783405
Energy: 1.4197019825809158
Energy: 1.4622166587906988
Energy: 1.4591308268584775
Energy: 1.485199029725574
Energy: 1.5271660170490977
Energy: 1.459130826866304
Energy: 1.485199029704751
Energy: 1.5271660170464891
Energy: 1.4591308268610863
Energy: 1.4851990296890987
Energy: 1.5271660170517065
Energy: 1.459130826863695
Energy: 1.6412905600234915
Energy: 1.3967813198480432
Energy: 1.5937331925411837
Energy: 1.6412905600234915
Energy: 1.3967813198506518
Energy: 1.5937331922543159
Energy: 1.6412905600339265
Energy: 1.3967813198636956
Energy: 1.59373319252814
Energy: 1.641290560031318
Energy: 1.5949936382765049
Energy: 1.6156394876382025
Energy: 1.463102256500103
Energy: 1.5949936382765049
Energy: 1.6156394876329851
Energy: 1.4307317886420563
Energy: 1.5949936382582437
Energy: 1.6156394876408116
Energy: 1.463102256520973
Energy: 1.594993638263461
Energy: 1.3932130306238726
Energy: 1.5445235696206074
Energy: 1.4956458018181347
Energy: 1.39321303060822
Energy: 1.5503429196730365
Energy: 1.420840858444588
Energy: 1.3932130306056114
Energy: 1.5445235696232162
Energy: 1.4956458018285699
Energy: 1.3932130306056114
Energy: 1.392333420578724
Energy: 1.502422074117269
Energy: 1.4981620766690995
Energy: 1.3923334205813327
Energy: 1.5024565900626978
Energy: 1.4981159378999325
Energy: 1.3923334205839415
Energy: 1.502422074117269
Energy: 1.4981620766821433
Energy: 1.3923334205865503
Energy: 1.4283820353009082
Energy: 1.4620539809329383
Energy: 1.5011346615132668
Energy: 1.4283820353087344
Energy: 1.4621564754996779
Energy: 1.5011346615106582
Energy: 1.4283820352956906
Energy: 1.4620539809277209
Energy: 1.5011346615132668
Energy: 1.4283820352956906
Energy: 1.675560607428423
Energy: 1.462057173545209
Energy: 1.4823786152142608
Energy: 1.6755606074310319
Energy: 1.4621174131602697
Energy: 1.4823786152168699
Energy: 1.675560607415427
Energy: 1.4620571735530354
Energy: 1.4823786152168699
Energy: 1.6755606074180354
Energy: 1.5853456570614943
Energy: 1.5947727638766873
Energy: 1.4595324983547386
Energy: 1.5853456570484505
Energy: 1.5947727638584261
Energy: 1.4595324983547386
Energy: 1.5853456570588855
Energy: 1.5947727638636435
Energy: 1.4595324983573474
Energy: 1.5853456570588855

minimum gb energy = 1.3901035997778368 eV
minimum distance =  2.35634178638964 Angstroms
sigma value = 185


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

Energy: 1.2165288052953742
Energy: 0.7628578542102877
Energy: 0.7657299659529422
Energy: 0.7200452867946315
Energy: 0.762857854219578
Energy: 0.7657299659548003
Energy: 1.2165288053012862
Energy: 0.7628578542171005
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Energy: 0.7200452867946315
Energy: 1.0022389631176993
Energy: 0.7624420016729018
Energy: 0.8540082131400961
Energy: 1.0022389631229922
Energy: 0.7624420016852888
Energy: 0.9019469024228135
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Energy: 0.8540082131357608
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Energy: 0.719178807948614
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Energy: 0.7772189018363145
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Energy: 0.7753865138580112
Energy: 1.0060614826608563
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Energy: 0.814964155430594
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Energy: 0.8360654820598025
Energy: 1.0108475895074513
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Energy: 1.000479401329488
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Energy: 1.153357144372497
Energy: 0.6753134076122761
Energy: 0.7649021391239915
Energy: 1.1533571443709203
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Energy: 0.6753134076063642
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Energy: 0.7650202709443215
Energy: 1.0250424665122848
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Energy: 0.7650202709486568
Energy: 1.0250424665098075
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Energy: 0.7191072969707335
Energy: 0.6748625165381749
Energy: 0.764750885986403
Energy: 0.7758427497457648
Energy: 0.7786526181986219
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Energy: 0.719107296960824
Energy: 0.674862516547465
Energy: 0.7647508859892183
Energy: 0.7758427497578139
Energy: 1.0862815647254407
Energy: 1.089698152891191
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Energy: 1.086281564727918
Energy: 1.0896981528955267
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Energy: 1.0896981528918106
Energy: 0.763049777186263
Energy: 1.086281564731972
Energy: 0.9690280058085281
Energy: 0.7628578542106256
Energy: 0.7657299659523229
Energy: 0.7200452867964895
Energy: 0.7628578542257715
Energy: 0.7657299659538431
Energy: 0.9690280058147216
Energy: 0.7628578542205352
Energy: 0.7657299659526045
Energy: 0.7200452867952508
Energy: 1.0022389631146027
Energy: 0.7624420016726202
Energy: 0.8540082131409971
Energy: 1.0022389631205149
Energy: 0.7624420016819103
Energy: 0.901946902429007
Energy: 1.002238963119276
Energy: 0.7624420016809532
Energy: 0.8540082131422357
Energy: 1.0022389631207962
Energy: 0.7191788079591427
Energy: 0.7651025561060135
Energy: 0.7772189018307404
Energy: 0.775386513849678
Energy: 0.7651025561041553
Energy: 0.6745677391175208
Energy: 0.719178807954188
Energy: 0.7651025561041553
Energy: 0.7772189018257857
Energy: 0.7753865138536756
Energy: 1.0060614826633336
Energy: 0.766757222975816
Energy: 1.0247292856529473
Energy: 1.0060614826620948
Energy: 0.766757222976154
Energy: 1.0247292856550871
Energy: 1.0060614826550005
Energy: 0.7667572229776741
Energy: 1.0247292856563255
Energy: 1.006061482661194
Energy: 0.8149641554296931
Energy: 0.7627358684407937
Energy: 0.769064831524336
Energy: 0.8149641554367875
Energy: 0.7627358684451292
Energy: 0.6754849824981636
Energy: 0.814964155430594
Energy: 0.7627358684457485
Energy: 0.7690648315261939
Energy: 0.8149641554312133
Energy: 1.1565949539888614
Energy: 0.8852557751577032
Energy: 1.0108475895062123
Energy: 1.1565949539891993
Energy: 0.8548228524453749
Energy: 1.010847589503735
Energy: 1.1565949539863838
Energy: 0.8852557751586603
Energy: 1.010847589512406
Energy: 1.1565949539876226
Energy: 0.8156153634030201
Energy: 1.0004794013236322
Energy: 1.0839563812668274
Energy: 0.8156153633962073
Energy: 1.0004794013310643
Energy: 1.0839563812658701
Energy: 0.8156153633986847
Energy: 1.0004794013307265
Energy: 1.0839563812631112
Energy: 0.815615363400205
Energy: 1.1533571443727786
Energy: 0.6753134076106997
Energy: 0.764902139118699
Energy: 1.153357144370639
Energy: 0.7692402493873066
Energy: 0.7649021391196562
Energy: 1.1533571443666413
Energy: 0.6753134076079408
Energy: 0.7649021391208949
Energy: 1.1533571443727786
Energy: 0.765020270941844
Energy: 1.025042466487511
Energy: 0.7652592267118189
Energy: 0.7650202709517536
Energy: 1.0250424665045148
Energy: 0.7652592267142964
Energy: 0.7650202709548503
Energy: 1.0250424665042333
Energy: 0.7652592267180124
Energy: 0.765020270946461
Energy: 0.719107296969157
Energy: 0.6748625165394135
Energy: 0.7647508859848826
Energy: 0.7753462946387626
Energy: 0.7785616917238052
Energy: 0.7647508859786893
Energy: 0.7191072969592475
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Energy: 0.7647508859879795
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Energy: 1.089698152886856
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Energy: 1.0896981528933871
Energy: 0.7630497771819276
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Energy: 1.0896981528874752
Energy: 0.7630497771844049
Energy: 1.0862815647217243
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Energy: 0.7657299659566582
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Energy: 0.7657299659541809
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Energy: 1.002238963135942
Energy: 0.7624420016747598
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Energy: 0.7624420016834306
Energy: 0.9019469024261918
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Energy: 0.7624420016788137
Energy: 0.8540082131385196
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Energy: 0.76510255609982
Energy: 0.7772189018372716
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Energy: 0.6745677391193788
Energy: 0.7191788079529493
Energy: 0.7651025560982998
Energy: 0.7772189018344564
Energy: 0.775386513852437
Energy: 1.0060614826589982
Energy: 0.7667572229696227
Energy: 1.0247292856532286
Energy: 1.0060614826589982
Energy: 0.7667572229727193
Energy: 1.024729285656945
Energy: 1.0060614826444718
Energy: 0.7667572229755346
Energy: 1.0247292856526096
Energy: 1.00606148265562
Energy: 0.8149641554274973
Energy: 0.7627358684423704
Energy: 0.7690321831402386
Energy: 0.814964155430594
Energy: 0.7627358684401745
Energy: 0.6754849824947291
Energy: 0.8149641554303124
Energy: 0.762735868447325
Energy: 0.769032183135903
Energy: 0.8149641554312133
Energy: 1.1565949539966314
Energy: 0.8360654820570436
Energy: 1.0108475895071134
Energy: 1.1565949539894806
Energy: 0.8852557751583225
Energy: 1.0108475895012576
Energy: 1.1565949539870033
Energy: 0.8360654820659958
Energy: 1.0108475895099287
Energy: 1.1565949539857647
Energy: 0.8156153633989663
Energy: 1.0004794013239136
Energy: 1.0839563812649693
Energy: 0.8156153633949687
Energy: 1.0004794013292062
Energy: 1.083956381267109
Energy: 0.8156153633964889
Energy: 1.000479401328587
Energy: 1.0839563812655886
Energy: 0.8156153633921535
Energy: 1.1533571443669228
Energy: 0.6753134076082222
Energy: 0.7649021391252302
Energy: 1.153357144372497
Energy: 0.7692402493882637
Energy: 0.7649021391286084
Energy: 1.153357144364164
Energy: 0.6753134075998892
Energy: 0.764902139122415
Energy: 1.1533571443733976
Energy: 0.7650202709415062
Energy: 1.025042466505472
Energy: 0.7652592267133955
Energy: 0.7650202709557512
Energy: 1.0250424665026567
Energy: 0.7652592267164923
Energy: 0.7650202709523729
Energy: 1.0250424665038955
Energy: 0.7652592267198705
Energy: 0.7650202709452223
Energy: 0.7191072969793479
Energy: 0.6748625165387941
Energy: 0.764750885988261
Energy: 0.7758427497426682
Energy: 0.7786526181933292
Energy: 0.764750885986403
Energy: 0.7191072969685376
Energy: 0.6748625165403144
Energy: 0.7647508859935536
Energy: 0.7758427497556744
Energy: 1.0862815647226818
Energy: 1.0896981528849978
Energy: 0.7630497771769728
Energy: 1.0862815647254407
Energy: 1.0896981528880945
Energy: 0.7630497771837855
Energy: 1.0862815647291566
Energy: 1.0896981528902903
Energy: 0.7630497771813082
Energy: 1.0862815647272985

minimum gb energy = 0.6745677391175208 eV
minimum distance =  2.36753773617267 Angstroms
sigma value = 33


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

Energy: 1.358485048606682
Energy: 1.41118604100683
Energy: 1.4110762303505313
Energy: 1.358485048604982
Energy: 1.4111860410085304
Energy: 1.4110762303488316
Energy: 1.358485048604982
Energy: 1.41118604100683
Energy: 1.4110762303505313
Energy: 1.358485048603282
Energy: 1.4036065095343548
Energy: 1.3890893623381022
Energy: 1.3954166454826413
Energy: 1.4036065095360548
Energy: 1.3890893623381022
Energy: 1.3954166454826413
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Energy: 1.3890893623381022
Energy: 1.3954166454826413
Energy: 1.4036065095360548
Energy: 1.3209244486667848
Energy: 1.3345601559149234
Energy: 1.3364741459754281
Energy: 1.3377922154195376
Energy: 1.3345601559149234
Energy: 1.3223667610390981
Energy: 1.337766807467853
Energy: 1.3345601559149234
Energy: 1.3223669962673792
Energy: 1.3377861418690422
Energy: 1.374336828598675
Energy: 1.3607697661410258
Energy: 1.3726792589186254
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Energy: 1.3607697661342568
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Energy: 1.3743368286003752
Energy: 1.3607697661410258
Energy: 1.3726792589186254
Energy: 1.374336828595275
Energy: 1.3944917668956254
Energy: 1.3994562766602836
Energy: 1.324997184667444
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Energy: 1.32499752230489
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Energy: 1.3994562766602836
Energy: 1.3249972352254806
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Energy: 1.4028578829023308
Energy: 1.4415864537339205
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Energy: 1.402857882904031
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Energy: 1.3598144835703065
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Energy: 1.3597156067125533
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Energy: 1.326937168008308
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Energy: 1.4394563824698685
Energy: 1.4177724823591482
Energy: 1.4154993031761076
Energy: 1.3889225700516443
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Energy: 1.4113314905391317
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Energy: 1.4156522769341195
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Energy: 1.411331490537432
Energy: 1.3889347591243095
Energy: 1.370086208863697
Energy: 1.399520785566038
Energy: 1.3889347591260097
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Energy: 1.3889347591226096
Energy: 1.3700862088653971
Energy: 1.399520785566038
Energy: 1.3889347591260097
Energy: 1.3340290948791569
Energy: 1.34982140054956
Energy: 1.346646839526589
Energy: 1.3340290948757567
Energy: 1.34982140055806
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Energy: 1.3340290948808569
Energy: 1.3498214005529598
Energy: 1.3466468395282891
Energy: 1.3340290948757567
Energy: 1.3889913151549362
Energy: 1.3983519481980387
Energy: 1.3798358296981186
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Energy: 1.3983519481963385
Energy: 1.3798358296998188
Energy: 1.388991315151536
Energy: 1.3983519481980387
Energy: 1.3798358296981186
Energy: 1.388991315153236
Energy: 1.4121065932288106
Energy: 1.3169772604057064
Energy: 1.4163571003369908
Energy: 1.4121065932322108
Energy: 1.3169772603904062
Energy: 1.416357100338691
Energy: 1.4121065932288106
Energy: 1.3169772604091063
Energy: 1.4163571003335909
Energy: 1.4121065932322108
Energy: 1.40286787178107
Energy: 1.3829295095908747
Energy: 1.3892148797433366
Energy: 1.4028678717844703
Energy: 1.3829295095908747
Energy: 1.3892148797416366
Energy: 1.4028678717827698
Energy: 1.3829295095908747
Energy: 1.3892148797416366
Energy: 1.4028678717827698
Energy: 1.4167768672778889
Energy: 1.438133118806201
Energy: 1.3304134383754322
Energy: 1.4167768672778889
Energy: 1.4381331223066813
Energy: 1.3304134383720323
Energy: 1.4167768672778889
Energy: 1.4381331123830277
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Energy: 1.4027656534175983
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Energy: 1.4052271535503429
Energy: 1.4027656534226984
Energy: 1.4160414237402354
Energy: 1.4025358086251307
Energy: 1.4033857429812975
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Energy: 1.4025358086234307
Energy: 1.4033857429846976
Energy: 1.4160414237402354
Energy: 1.4025358086268307
Energy: 1.4033857429812975
Energy: 1.4160414237385353
Energy: 1.4093526493058595
Energy: 1.402342974038819
Energy: 1.4146664038613843
Energy: 1.4093526493092592
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Energy: 1.4146664038596846
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Energy: 1.4146664038613843
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Energy: 1.358033570341487
Energy: 1.3605198421237528
Energy: 1.3252625334233723
Energy: 1.3580335579572966
Energy: 1.3605198420744833
Energy: 1.3252625334233723

minimum gb energy = 1.3169772603904062 eV
minimum distance =  2.33147462337073 Angstroms
sigma value = 219


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

Energy: 1.8444464518241286
Energy: 1.9612388063742852
Energy: 1.9612277726356993
Energy: 1.8444464518230037
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Energy: 1.8558979287488422
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Energy: 1.895389314516769
Energy: 1.8543870151060575
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Energy: 1.895389314516769
Energy: 1.8517866580391409
Energy: 1.8411972883262064
Energy: 1.8953893145133938
Energy: 1.851786658038016
Energy: 1.8411908656317644
Energy: 1.8412373902143797
Energy: 1.9585820269466452
Energy: 1.9655232748044924
Energy: 1.8412373902143797
Energy: 1.9585820269432699
Energy: 1.9655232748078677
Energy: 1.8412373902143797
Energy: 1.9585820269466452
Energy: 1.9655232748044924
Energy: 1.8412373902166304
Energy: 1.9082273663855394
Energy: 1.9068282078495857
Energy: 1.969792908208013
Energy: 1.9082273663844143
Energy: 1.9068282078495857
Energy: 1.9697929082068877
Energy: 1.9082273663844143
Energy: 1.9068282078495857
Energy: 1.969792908208013
Energy: 1.9082273663855394

minimum gb energy = 1.8411908656317644 eV
minimum distance =  2.303644086426 Angstroms
sigma value = 15


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

Energy: 2.1802955161451414
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Energy: 2.124395751726071
Energy: 2.180295516140992
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Energy: 2.115675634297035
Energy: 2.1249206008845434
Energy: 2.0837136355276002
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Energy: 2.1510717950612994
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Energy: 2.1070166087740176
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Energy: 2.1070166087823177
Energy: 2.1706498396148923
Energy: 2.1731180218127206
Energy: 2.10701660877198
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minimum gb energy = 2.0825348626265394 eV
minimum distance =  2.28656907714217 Angstroms
sigma value = 293


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

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Energy: 2.10221274931687
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Energy: 2.2331423469447906
Energy: 2.0921315758640735
Energy: 2.2819898723278076
Energy: 2.1106005536196357
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Energy: 2.281989872333907
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Energy: 2.092131575858991
Energy: 2.2819898723369563
Energy: 2.1106005536122896
Energy: 2.092131575861533
Energy: 2.083305614161175
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Energy: 2.1986696657419076
Energy: 2.083305614165749
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Energy: 2.198669665740151
Energy: 2.083305614166766
Energy: 2.1451955022304143
Energy: 2.198669665742924
Energy: 2.0833056141675055
Energy: 2.2340761872727244
Energy: 2.111684007092235
Energy: 2.1592094951298804
Energy: 2.2340761872696753
Energy: 2.162761478149745
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Energy: 2.2340761872669024
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Energy: 2.1592094951385206
Energy: 2.2340761872666253
Energy: 2.0824576131664507
Energy: 2.126808403212866
Energy: 2.1270720157966956
Energy: 2.0824576131664507
Energy: 2.126808403203717
Energy: 2.1270720157972036
Energy: 2.08245761316317
Energy: 2.1268084032209984
Energy: 2.1270720158081544
Energy: 2.0824576131684833
Energy: 2.0843809436300864
Energy: 2.1105077692755327
Energy: 2.2471549691232653
Energy: 2.0843809436346605
Energy: 2.110507769284913
Energy: 2.2471549691113437
Energy: 2.0843809436354
Energy: 2.110507769280616
Energy: 2.247154969110558
Energy: 2.084380943637941
Energy: 2.234402885178882
Energy: 2.1313008535009677
Energy: 2.109650864305494
Energy: 2.2344028851885387
Energy: 2.131300853504756
Energy: 2.109836133592279
Energy: 2.2344028851862747
Energy: 2.1313008535067897
Energy: 2.1096508642950513
Energy: 2.2344028851740765
Energy: 2.106709657678862
Energy: 2.1707826654239097
Energy: 2.102665824081466
Energy: 2.106709657682697
Energy: 2.1707826654191043
Energy: 2.1026658240834997
Energy: 2.1067096576755815
Energy: 2.170782665429501
Energy: 2.102665824085255
Energy: 2.1067096576740565

minimum gb energy = 2.0824576131588266 eV
minimum distance =  2.23879223697113 Angstroms
sigma value = 293


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

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Energy: 2.1387152428306684
Energy: 2.13876384884439
Energy: 2.1387983996799536
Energy: 2.138715242841692
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Energy: 2.141975992284462
Energy: 2.1390944204318676
Energy: 2.139868894709842
Energy: 2.138798399690058
Energy: 2.1387152428361804
Energy: 2.1387638488439302
Energy: 2.138798399690518
Energy: 2.13871524284307
Energy: 2.138763848842093
Energy: 2.1387983996928144
Energy: 2.1387152428338836
Energy: 2.1387638488361222
Energy: 2.1387983996850055
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Energy: 2.139120987087338
Energy: 2.1417382531834606
Energy: 2.1399055270269
Energy: 2.139120987074018
Energy: 2.1417382531678437
Energy: 2.139905527034708
Energy: 2.139120987079071
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Energy: 2.139905527038842
Energy: 2.137924245780826
Energy: 2.13764762227678
Energy: 2.0822109937298126
Energy: 2.1379242457831227
Energy: 2.137647622287303
Energy: 2.082211018248799
Energy: 2.13792424578496
Energy: 2.137647622287762
Energy: 2.0822109963421638
Energy: 2.1379242457739362
Energy: 2.0821694653600735
Energy: 2.1376091428096444
Energy: 2.1379333605398037
Energy: 2.0821698933468205
Energy: 2.137609142798162
Energy: 2.1379333605333732
Energy: 2.082169480084351
Energy: 2.1376091428009176
Energy: 2.137933360540263
Energy: 2.082169471150906
Energy: 2.1419759922757358
Energy: 2.1390944204355424
Energy: 2.1398688947162725
Energy: 2.1419759922688457
Energy: 2.1390944204401356
Energy: 2.1398688947153537
Energy: 2.141975992279869
Energy: 2.1390944204369204
Energy: 2.1398688947167317
Energy: 2.141975992273898
Energy: 2.138715242841692
Energy: 2.1387638488448486
Energy: 2.138798399690058
Energy: 2.138715242830209
Energy: 2.138763848839337
Energy: 2.1387983996850055
Energy: 2.1387152428338836
Energy: 2.138763848840256
Energy: 2.1387983996831683
Energy: 2.1387152428348024
Energy: 2.1391209870813674
Energy: 2.141738253175652
Energy: 2.1399055270328713
Energy: 2.1391209870772334
Energy: 2.14173825317749
Energy: 2.139905527042517
Energy: 2.139120987087798
Energy: 2.141738253187135
Energy: 2.139905527036086
Energy: 2.139120987087338

minimum gb energy = 2.082169216183662 eV
minimum distance =  2.32122350230972 Angstroms
sigma value = 15


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

Energy: 2.048369781879647
Energy: 2.0803622475598758
Energy: 2.0804592348334303
Energy: 2.048369781877564
Energy: 2.0803622475598758
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Energy: 2.2865041430634006
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Energy: 2.041772796144378
Energy: 2.2865041430634006
Energy: 2.0213808023233493
Energy: 2.2919370640980645
Energy: 1.9883225610615292
Energy: 2.1311292757963662
Energy: 2.2919370640939
Energy: 1.9883225610615292
Energy: 2.1311292757963662
Energy: 2.2919370640980645
Energy: 1.9883225610615292
Energy: 2.1311292757963662
Energy: 2.291937064091818
Energy: 2.056655585955679
Energy: 1.9912449098684057
Energy: 2.012807533247684
Energy: 2.056655585949433
Energy: 1.9912449098684057
Energy: 2.012807533249766
Energy: 2.056655585955679
Energy: 1.9912449098704879
Energy: 2.012807533247684
Energy: 2.056655585949433
Energy: 2.040655826888667
Energy: 2.226107123566145
Energy: 2.0192651586148975
Energy: 2.040655826884503
Energy: 2.2261071235682275
Energy: 2.019265158612816
Energy: 2.040655826888667
Energy: 2.2261071235682275
Energy: 2.0192651586148975
Energy: 2.0406558268865855
Energy: 1.990818447890695
Energy: 2.0552885284029547
Energy: 2.012490695633113
Energy: 1.990818447890695
Energy: 2.0552885284029547
Energy: 2.012490695631031
Energy: 1.990818447890695
Energy: 2.0552885284029547
Energy: 2.012490695633113
Energy: 1.990818447890695
Energy: 2.0436449683240747
Energy: 1.9879688563906446
Energy: 1.9904224691209556
Energy: 2.043644968326157
Energy: 1.9879688563864804
Energy: 1.9904224691230374
Energy: 2.0436449683240747
Energy: 1.9879688563885625
Energy: 1.9904224691230374
Energy: 2.043644968326157
Energy: 2.0414932065045384
Energy: 2.023046398934898
Energy: 2.2588798014229066
Energy: 2.0414932065003746
Energy: 2.0230463989328156
Energy: 2.2588798014249885
Energy: 2.0414932065045384
Energy: 2.023046398934898
Energy: 2.2588798014229066
Energy: 2.0414932065024565
Energy: 1.9883819586280762
Energy: 2.180029595779765
Energy: 2.057001940736102
Energy: 1.9883819586301583
Energy: 2.180029595783929
Energy: 2.0570019407381843
Energy: 1.9883819586280762
Energy: 2.180029595779765
Energy: 2.057001940736102
Energy: 1.9883819586280762
Energy: 2.142557841395394
Energy: 2.0211765405182343
Energy: 2.217083763230503
Energy: 2.1425578413974757
Energy: 2.0211765405182343
Energy: 2.217083763230503
Energy: 2.142557841393312
Energy: 2.021176540520316
Energy: 2.217083763230503
Energy: 2.1425578413974757
Energy: 2.0549856883826005
Energy: 2.013608876690604
Energy: 1.9862593121632677
Energy: 2.0549856883867643
Energy: 2.0136088766864404
Energy: 1.9862593121632677
Energy: 2.0549856883846824
Energy: 2.013608876690604
Energy: 1.9862593121632677
Energy: 2.0549856883867643
Energy: 2.0306988024303725
Energy: 2.15604865552578
Energy: 1.9874421478221376
Energy: 2.0306988024303725
Energy: 2.1560486555236977
Energy: 1.9874421478242197
Energy: 2.0306988024282906
Energy: 2.15604865552578
Energy: 1.9874421478221376
Energy: 2.0306988024303725
Energy: 2.02270211560744
Energy: 2.2850795581658563
Energy: 2.0414748254226027
Energy: 2.02270211560744
Energy: 2.2850795581658563
Energy: 2.0414748254226027
Energy: 2.02270211560744
Energy: 2.2850795581658563
Energy: 2.0414748254226027
Energy: 2.02270211560744
Energy: 2.2387470828130054
Energy: 2.0994956366043436
Energy: 1.9905125777134585
Energy: 2.2387470828109235
Energy: 2.0994956366043436
Energy: 1.9905125777134585
Energy: 2.2387470828005136
Energy: 2.0994956366043436
Energy: 1.9905125777155406
Energy: 2.238747082794267
Energy: 2.0337666550151807
Energy: 2.0964304225292976
Energy: 2.0588532982333185
Energy: 2.0337666550110165
Energy: 2.096430422533461
Energy: 2.0588532982354004
Energy: 2.0337666550151807
Energy: 2.0964304225292976
Energy: 2.0588532982333185
Energy: 2.0337666550110165
Energy: 2.0146720942651806
Energy: 2.0610260211426716
Energy: 2.052428300783765
Energy: 2.0146720942610163
Energy: 2.0610260211364255
Energy: 2.052428300781683
Energy: 2.0146720942610163
Energy: 2.0610260211426716
Energy: 2.0524283007796007
Energy: 2.0146720942630987
Energy: 2.125224533686787
Energy: 1.9873605023207292
Energy: 2.0988232880345237
Energy: 2.1252245336888693
Energy: 1.9873605023186471
Energy: 2.0988232880345237
Energy: 2.1252245336888693
Energy: 1.9873605023207292
Energy: 2.098823288032442
Energy: 2.1252245336888693
Energy: 2.0390341954332745
Energy: 2.2631118700762727
Energy: 2.0391938841315715
Energy: 2.0390341954311926
Energy: 2.2631118700762727
Energy: 2.0391938841336534
Energy: 2.0390341954332745
Energy: 2.2631118700762727
Energy: 2.0391938841315715
Energy: 2.0390341954332745
Energy: 2.1286516112615903
Energy: 1.9870691893276304
Energy: 2.0536054536434256
Energy: 2.1286516112657545
Energy: 1.987069189329712
Energy: 2.053605453639261
Energy: 2.1286516112615903
Energy: 1.987069189329712
Energy: 2.0536054536434256
Energy: 2.1286516112678364
Energy: 2.051723820808439
Energy: 2.0223911918992594
Energy: 2.0141974664152844
Energy: 2.051723820806357
Energy: 2.0223911919034236
Energy: 2.0141974664152844
Energy: 2.051723820808439
Energy: 2.0223911918992594
Energy: 2.0141974664152844
Energy: 2.051723820808439
Energy: 2.2089706683572623
Energy: 2.0580215677613936
Energy: 2.0132691154797713
Energy: 2.2089706683572623
Energy: 2.058021567759311
Energy: 2.013269115481816
Energy: 2.2089706683572623
Energy: 2.058021567759311
Energy: 2.0132691154797713
Energy: 2.208970668359344
Energy: 1.9909475308009144
Energy: 2.0566999345837935
Energy: 2.124037301287369
Energy: 1.9909475307967506
Energy: 2.056699934585876
Energy: 2.1239539874864954
Energy: 1.9909475308009144
Energy: 2.0566999345837935
Energy: 2.124025993980389
Energy: 1.990947530798832
Energy: 2.0413686486132523
Energy: 2.255388036131328
Energy: 2.023081419879726
Energy: 2.0413686486132523
Energy: 2.25538803613341
Energy: 2.023081419877644
Energy: 2.0413686486132523
Energy: 2.255388036131328
Energy: 2.023081419879726
Energy: 2.0413686486132523

minimum gb energy = 1.9862593121632677 eV
minimum distance =  2.25606147725151 Angstroms
sigma value = 437


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

Energy: 1.8389741014573555
Energy: 2.0858345665581677
Energy: 2.0857885989306943
Energy: 1.8389741014573555
Energy: 2.0858345665551337
Energy: 2.085788598926902
Energy: 1.8389741014550796
Energy: 2.0858345665574096
Energy: 2.0857885989306943
Energy: 1.8389741014588725
Energy: 1.9185926408161667
Energy: 1.7982840866447107
Energy: 1.8107283240800047
Energy: 1.918592640815408
Energy: 1.7982840866424352
Energy: 1.8107283240739365
Energy: 1.9185926408184422
Energy: 1.7982840866439522
Energy: 1.8107283240769705
Energy: 1.918592640812443
Energy: 2.0087024758109013
Energy: 1.7819800338577874
Energy: 1.7952098390568678
Energy: 1.9971465920594644
Energy: 1.7819800338608216
Energy: 2.039197232600412
Energy: 1.9971465920617404
Energy: 1.7819800338570289
Energy: 1.794649790728225
Energy: 1.9971465920579472
Energy: 1.8159929801214978
Energy: 1.9185114233339784
Energy: 1.8157683116874543
Energy: 1.8159929801161885
Energy: 1.9185114233354956
Energy: 1.8157683116882128
Energy: 1.8159929801207395
Energy: 1.9185114233332201
Energy: 1.8157683116866958
Energy: 1.8159929801086718
Energy: 1.8439208826056372
Energy: 1.8162166173463483
Energy: 2.297663710255267
Energy: 1.8439208826117055
Energy: 1.8162166173440724
Energy: 2.297663710258301
Energy: 1.8439208826063955
Energy: 1.8162166173493823
Energy: 2.2976637102545086
Energy: 1.8439208826117055
Energy: 1.8131046290166215
Energy: 1.9244901557731307
Energy: 1.7981012441240136
Energy: 1.8131046290196557
Energy: 1.9244901557731307
Energy: 1.7981012441247721
Energy: 1.8131046290166215
Energy: 1.9244901557738896
Energy: 1.7981012441262891
Energy: 1.8131046290219315
Energy: 1.9172365370512119
Energy: 1.8431254388331884
Energy: 1.7821560602267665
Energy: 1.9172365370496947
Energy: 1.8431254388301541
Energy: 1.7821560602298008
Energy: 1.91723653705197
Energy: 1.8431254388331884
Energy: 1.7821560602267665
Energy: 1.91723653705197
Energy: 1.8011687852384544
Energy: 2.0680931173285515
Energy: 1.8095189119495314
Energy: 1.8011687852384544
Energy: 2.0680931173240005
Energy: 1.8095189119533241
Energy: 1.8011687852369374
Energy: 2.0680931173308275
Energy: 1.8095189119518071
Energy: 1.801168785239213
Energy: 2.0772827843118553
Energy: 1.817556337023923
Energy: 1.8170210218759053
Energy: 2.0772827843156483
Energy: 1.8175563370246814
Energy: 1.8170210218675615
Energy: 2.0772827843126143
Energy: 1.817556337023923
Energy: 1.81702102187363
Energy: 2.0772827843156483
Energy: 1.8202035123088727
Energy: 1.9511882853568807
Energy: 2.3270092917902834
Energy: 1.820203512311148
Energy: 1.9511882853508125
Energy: 2.3270092917933174
Energy: 1.8202035123088727
Energy: 1.951188285359915
Energy: 2.3270092917940755
Energy: 1.8202035123119067
Energy: 1.7826589053340263
Energy: 1.7799047426557344
Energy: 1.8730915784947184
Energy: 1.7826589053385775
Energy: 1.782105221162511
Energy: 1.8730915784916842
Energy: 1.7826589053317508
Energy: 1.782105221160994
Energy: 1.8730915784932014
Energy: 1.7826589053370605
Energy: 1.9516389539730084
Energy: 1.797027555267791
Energy: 2.0443486880361315
Energy: 1.9516389539722498
Energy: 1.7970275552715838
Energy: 2.044348688039924
Energy: 1.9516389539722498
Energy: 1.7970275552670325
Energy: 2.04434868803689
Energy: 1.9516389539722498
Energy: 1.8171645303684554
Energy: 2.328432018611626
Energy: 1.8169428965156669
Energy: 1.817164530369214
Energy: 2.3284320186085914
Energy: 1.8169428965179424
Energy: 1.8171645303676969
Energy: 2.3284320186131424
Energy: 1.8169428965156669
Energy: 1.8171645303699724
Energy: 1.8228822027670883
Energy: 1.7975242060969923
Energy: 1.9181955355680966
Energy: 1.8228822027648128
Energy: 1.7975242060969923
Energy: 1.9181955355718896
Energy: 1.822882202764054
Energy: 1.7975242060962338
Energy: 1.9181955355703726
Energy: 1.8228822027655711

minimum gb energy = 1.7799047426557344 eV
minimum distance =  2.25887387525182 Angstroms
sigma value = 33