Model name: model_name=MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650763273239
cohesive_energy=3.3602642529834164
mass=26.981538
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: 0.011733845950803755
Energy: 0.1765325440016344
Energy: 0.17653254400278912
Energy: 0.011733845950803755
Energy: 0.1765325440016344
Energy: 0.17653254400278912
Energy: 0.011733845950803755
Energy: 0.1765325440016344
Energy: 0.17653254400278912
Energy: 0.011733845950803755
Energy: 0.17604236729680106
Energy: 0.012322486362737885
Energy: 0.17669734750241342
Energy: 0.17604236729680106
Energy: 0.012322486362737885
Energy: 0.17669734750356816
Energy: 0.17604236729680106
Energy: 0.012322486362737885
Energy: 0.17669734750241342
Energy: 0.17604236729680106
Energy: 0.5995373153258339
Energy: 0.26361085741106355
Energy: 0.4660817774638798
Energy: 0.6785744852647104
Energy: 0.09185839178721032
Energy: 0.10626305065508772
Energy: 0.3960801126754523
Energy: 0.012514962768383679
Energy: 0.10626305065508772
Energy: 0.3960866068175631
Energy: 0.17604236729680106
Energy: 0.17669734750356816
Energy: 0.012322486362737885
Energy: 0.17604236729680106
Energy: 0.17669734750356816
Energy: 0.012322486362737885
Energy: 0.17604236729680106
Energy: 0.17669734750356816
Energy: 0.012322486362737885
Energy: 0.17604236729680106
Energy: 0.011733845950803755
Energy: 0.17653254400278912
Energy: 0.17653254400278912
Energy: 0.011733845950803755
Energy: 0.17653254400278912
Energy: 0.17653254400278912
Energy: 0.011733845950803755
Energy: 0.17653254400278912
Energy: 0.17653254400278912
Energy: 0.011733845950803755
Energy: 0.17604236729680106
Energy: 0.012322486362737885
Energy: 0.17669734750356816
Energy: 0.17604236729680106
Energy: 0.012322486362737885
Energy: 0.17669734750356816
Energy: 0.17604236729680106
Energy: 0.012322486362737885
Energy: 0.17669734750356816
Energy: 0.17604236729680106
Energy: 0.597500888894848
Energy: 0.39098263873149613
Energy: 0.27511162552128615
Energy: 0.597500888894848
Energy: 0.17737415676659105
Energy: 0.10626305065508772
Energy: 0.39608197632893666
Energy: 0.26361085741106355
Energy: 0.10626305065508772
Energy: 0.39609437928224467

minimum gb energy = 0.011733845950803755 eV
minimum distance =  2.63325456884205 Angstroms
sigma value = 3


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

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Energy: 0.6492457630827277
Energy: 0.6492300635470282
Energy: 0.5167096616170684
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Energy: 0.5167096616156541
Energy: 0.5799096941913887
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Energy: 0.6378260353703067
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Energy: 0.5377474205836141
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Energy: 0.5682929378081467
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Energy: 0.5557751433878584
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Energy: 0.6492300635464624
Energy: 0.5167096616170684
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Energy: 0.6492300635473109
Energy: 0.5557751433872928
Energy: 0.6492457630838592
Energy: 0.649230063545614
Energy: 0.5167096616167856
Energy: 0.5799096943610196
Energy: 0.5374105156157186
Energy: 0.6378260353697409
Energy: 0.5799096941950399
Energy: 0.53741051561487
Energy: 0.6378260353686095
Energy: 0.5799096942278502
Energy: 0.5374105156154356
Energy: 0.6378260353688924
Energy: 0.5799096943073045
Energy: 0.6486091207387181
Energy: 0.6794837012285998
Energy: 0.6609478743452692
Energy: 0.5729898483383593
Energy: 0.6794837012288826
Energy: 0.6609478743455522
Energy: 0.6486091207395667
Energy: 0.6794837012305797
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Energy: 0.5172038860055372
Energy: 0.649730217247962
Energy: 0.5994724515648768
Energy: 0.5172038860055372
Energy: 0.649730217247962
Energy: 0.5994724515668567
Energy: 0.5172038860086485
Energy: 0.6497302172476792

minimum gb energy = 0.49771245999133945 eV
minimum distance =  2.50975304456393 Angstroms
sigma value = 75


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

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Energy: 0.49329911955465505
Energy: 0.49361433045985
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minimum gb energy = 0.48899776327745814 eV
minimum distance =  2.50297787049301 Angstroms
sigma value = 105


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

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Energy: 0.6120487120561336
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Energy: 0.6379279486077929
Energy: 0.6120487120566149
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Energy: 0.6379279486082742
Energy: 0.6120487120564451
Energy: 0.6148576266794943
Energy: 0.6313728068145398
Energy: 0.6323457430687236
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Energy: 0.6312476864129314
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Energy: 0.6148576266919505
Energy: 0.6313728067980354
Energy: 0.6323457430673365
Energy: 0.6148576266813627
Energy: 0.7395736707100364
Energy: 0.6331303726170191
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Energy: 0.7395736707098666
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Energy: 0.5905473473093038
Energy: 0.739573670709725
Energy: 0.6331303726175004
Energy: 0.5905473473099265
Energy: 0.7395736707101779
Energy: 0.6467047319537035
Energy: 0.6386465648995013
Energy: 0.5746178743462592
Energy: 0.6467047319530808
Energy: 0.6386465648982556
Energy: 0.5746178743461177
Energy: 0.6467047319546093
Energy: 0.6386465648993598
Energy: 0.5746178743458062
Energy: 0.6467047319547792
Energy: 0.6435351114579153
Energy: 0.6857361929703236
Energy: 0.6161440437419002
Energy: 0.6435351114571226
Energy: 0.6860361056553682
Energy: 0.616144043741136
Energy: 0.6435351114577454
Energy: 0.685736192971088
Energy: 0.6161440437430045
Energy: 0.6435351114582266
Energy: 0.6539632997628845
Energy: 0.6306545735200575
Energy: 0.6236662908567663
Energy: 0.6536687088440511
Energy: 0.64245793316873
Energy: 0.6236662908211247
Energy: 0.6621279306878529
Energy: 0.6306545735052799
Energy: 0.6236662908248616
Energy: 0.6724063219007257
Energy: 0.6539470665483269
Energy: 0.5949704165977796
Energy: 0.6491015480970083
Energy: 0.6539470665469114
Energy: 0.59507070466479
Energy: 0.6491015480973196
Energy: 0.6539470665478456
Energy: 0.5949704165965338
Energy: 0.6491015480968384
Energy: 0.6539470665486382

minimum gb energy = 0.5560116282001009 eV
minimum distance =  2.49997986290198 Angstroms
sigma value = 165


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

Energy: 0.5956326373595866
Energy: 0.6210311445786595
Energy: 0.6574722991782036
Energy: 0.5732563476073279
Energy: 0.6210311445775903
Energy: 0.6574722991071597
Energy: 0.5956326373611902
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Energy: 0.6574722991691166
Energy: 0.5732563476067934
Energy: 0.6817845568362209
Energy: 0.6770471584198284
Energy: 0.6946020014067651
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Energy: 0.6817845568351517
Energy: 0.677047158419294
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Energy: 0.6817845568367553
Energy: 0.6247277210595469
Energy: 0.6627185944853172
Energy: 0.5818701934737839
Energy: 0.6247277210600815
Energy: 0.6627185944831793
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Energy: 0.6247277210584777
Energy: 0.7073798379946838
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Energy: 0.6320294847414034
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Energy: 0.6106131745302116
Energy: 0.748954279350639
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Energy: 0.588468568645669
Energy: 0.7489543019645825
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Energy: 0.6106131745307462
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Energy: 0.7177725044394924
Energy: 0.588468568645669
Energy: 0.6233737175969187
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Energy: 0.6881114565267934
Energy: 0.615639328455198
Energy: 0.6160474864157776
Energy: 0.6531065515549797
Energy: 0.6233728336409586
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Energy: 0.6881114565267934
Energy: 0.6156393301286185
Energy: 0.6984951466711126
Energy: 0.5796773324202577
Energy: 0.697755110437411
Energy: 0.698495146670578
Energy: 0.5796773324197231
Energy: 0.6977551104384802
Energy: 0.698495146670578
Energy: 0.5796773324197231
Energy: 0.6977551104384802
Energy: 0.6984951466711126
Energy: 0.6458740923583794
Energy: 0.5817161355674678
Energy: 0.6530917815050958
Energy: 0.6458740923573104
Energy: 0.5817161355680024
Energy: 0.6530917815307534
Energy: 0.645874092357845
Energy: 0.5817161355674678
Energy: 0.653091781615695
Energy: 0.6458740923573104
Energy: 0.6560646861465983
Energy: 0.6658362887288288
Energy: 0.688114144275469
Energy: 0.6560646861476676
Energy: 0.6658362887277598
Energy: 0.6881141442760035
Energy: 0.656064686148202
Energy: 0.6658362887277598
Energy: 0.6881141442738654
Energy: 0.656064686149271
Energy: 0.5732563476062589
Energy: 0.6210311445781249
Energy: 0.6574722990975382
Energy: 0.5732563476062589
Energy: 0.6210311445781249
Energy: 0.6574722991760655
Energy: 0.5732563476062589
Energy: 0.6210311445775903
Energy: 0.6574722991589849
Energy: 0.5732563476062589

minimum gb energy = 0.5732563476062589 eV
minimum distance =  2.58518029057193 Angstroms
sigma value = 41


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

Energy: 0.6546179049286269
Energy: 0.5988293140975945
Energy: 0.574271580319321
Energy: 0.626075042814009
Energy: 0.5988293140971797
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Energy: 0.5988293140944648
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Energy: 0.6450785638466958
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Energy: 0.5559122866174532
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Energy: 0.6564877562000774
Energy: 0.6224547795569669
Energy: 0.6162839701434608
Energy: 0.6295473274467565
Energy: 0.6224547795623592
Energy: 0.6162839701415753
Energy: 0.656487756203999
Energy: 0.6224547795598705
Energy: 0.6162839701413868
Energy: 0.6295473274477744
Energy: 0.6086207143269619
Energy: 0.5908689131534767
Energy: 0.6432286874203572
Energy: 0.6086207143288096
Energy: 0.5908689131547209
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Energy: 0.5883692018846353
Energy: 0.6255392282357364
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Energy: 0.6443513363813799
Energy: 0.5529847223058791
Energy: 0.6255392282340773
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Energy: 0.5650412565191638
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Energy: 0.6024931713059589
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Energy: 0.6024931713072034
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Energy: 0.6024931713072034
Energy: 0.5972431545546528
Energy: 0.6112061598645984
Energy: 0.6363624767642401
Energy: 0.6161227483720927
Energy: 0.6146377290895797
Energy: 0.6363624771881522
Energy: 0.6161227483720927
Energy: 0.614637729089806
Energy: 0.6363624760216584
Energy: 0.6161227483729222
Energy: 0.6146377290910504
Energy: 0.6363624748068984
Energy: 0.5996176697518841
Energy: 0.5750334132157383
Energy: 0.6406494036169441
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Energy: 0.5750334133944361
Energy: 0.6264230362069573
Energy: 0.5996176697510546
Energy: 0.5750334135030726
Energy: 0.6406494036181886
Energy: 0.5996176697485659
Energy: 0.5337130706570693
Energy: 0.6186315033085031
Energy: 0.6084092480777624
Energy: 0.5337130706564283
Energy: 0.6198683224330954
Energy: 0.6033005596777146
Energy: 0.5337130706595581
Energy: 0.6186315034919898
Energy: 0.6084092480589085
Energy: 0.5337130706583136
Energy: 0.5599555555714657
Energy: 0.5559301085400083
Energy: 0.5554760658784256
Energy: 0.5599555555704099
Energy: 0.5556845954022527
Energy: 0.5561401048155084
Energy: 0.5599555555685621
Energy: 0.5559301085402346
Energy: 0.5554760658784256
Energy: 0.5599555555687509
Energy: 0.5406808506474501
Energy: 0.5645641558432336
Energy: 0.5554591255327015
Energy: 0.5406808506470353
Energy: 0.5643630373621434
Energy: 0.5554591265151053
Energy: 0.5406808506476386
Energy: 0.5645641558442894
Energy: 0.555459125857555
Energy: 0.5406808506478649
Energy: 0.6248090931118796
Energy: 0.5551884401476272
Energy: 0.5829807952455889
Energy: 0.6248090931135387
Energy: 0.5554745310227067
Energy: 0.5829807952443445
Energy: 0.6248090931145946
Energy: 0.5551884401472125
Energy: 0.5829807952447593
Energy: 0.6248090931131239
Energy: 0.6530948978079651
Energy: 0.61039516554821
Energy: 0.5493454992012426
Energy: 0.6530948978086062
Energy: 0.610395165548851
Energy: 0.5493454992014313
Energy: 0.6530948978102653
Energy: 0.6103951655476066
Energy: 0.5493454992012426
Energy: 0.65309489781068

minimum gb energy = 0.5337130706564283 eV
minimum distance =  2.49771443450519 Angstroms
sigma value = 185


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

Energy: 0.5704784011031451
Energy: 0.34041674256946997
Energy: 0.3410874048098258
Energy: 0.44372171026727164
Energy: 0.34041674256971616
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Energy: 0.570478401102675
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Energy: 0.44372171026677926
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Energy: 0.335343128197707
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Energy: 0.46070798132902946
Energy: 0.44235761568922133
Energy: 0.42335812282887025
Energy: 0.3504166339925827
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Energy: 0.450767444970089
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Energy: 0.3515773752231277
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Energy: 0.3515773752231277
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Energy: 0.5106569130208392
Energy: 0.3515773752236201
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Energy: 0.4289986541567408
Energy: 0.34041674256971616
Energy: 0.3410874048090872
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Energy: 0.4289986541592027
Energy: 0.3404167425707009
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Energy: 0.4328982545645722
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Energy: 0.348971747083706
Energy: 0.45657555300301567
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Energy: 0.4681774852635805
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Energy: 0.3410007774015483
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Energy: 0.34100077740228685
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Energy: 0.3515773752236201
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Energy: 0.4607079813265676
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Energy: 0.5022530743889737
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Energy: 0.44256108887891654
Energy: 0.4262081572854367
Energy: 0.442251635107319
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Energy: 0.5022530744273564
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Energy: 0.4520048225482928
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Energy: 0.3412128970064781
Energy: 0.4349376949505853
Energy: 0.5104552207177038
Energy: 0.3412128970064781
Energy: 0.4520048225485389
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Energy: 0.46817750218582493
Energy: 0.44459453530426934
Energy: 0.3488731797082704
Energy: 0.4681775071516561
Energy: 0.4244092750751175
Energy: 0.34887317971023996
Energy: 0.46817750155218524
Energy: 0.4445945353047617
Energy: 0.3488731797104861
Energy: 0.46817750611100273
Energy: 0.3896448442650083
Energy: 0.44218735138823556
Energy: 0.3410007774015483
Energy: 0.40127292049703855
Energy: 0.4586980320543036
Energy: 0.34100077740228685
Energy: 0.3896448442657468
Energy: 0.4421873513897126
Energy: 0.34100077740204066
Energy: 0.40127292049679236
Energy: 0.45076744496984283
Energy: 0.41592411860922573
Energy: 0.33543763623301104
Energy: 0.4502866503035384
Energy: 0.4153313394498742
Energy: 0.33543763623325723
Energy: 0.4507674449695966
Energy: 0.4159241186107029
Energy: 0.3354376362335034
Energy: 0.4502866503035384
Energy: 0.44558749234106587
Energy: 0.5106569130210853
Energy: 0.3515773752238663
Energy: 0.4311359719905439
Energy: 0.5106569130201006
Energy: 0.3515773752233739
Energy: 0.44558749233934253
Energy: 0.5106569130208392
Energy: 0.3515773752238663
Energy: 0.4311359719898053

minimum gb energy = 0.3353431281974608 eV
minimum distance =  2.63335026054872 Angstroms
sigma value = 33


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

Energy: 0.5509423642710305
Energy: 0.5785355561153338
Energy: 0.5743166994123517
Energy: 0.5225161116890277
Energy: 0.5785355561153338
Energy: 0.5743166994137032
Energy: 0.5509423642723821
Energy: 0.5785355561153338
Energy: 0.5743166994150548
Energy: 0.5225161116890277
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Energy: 0.5111382468764107
Energy: 0.5673065840170339
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Energy: 0.5673065840183854
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Energy: 0.5815435219632115
Energy: 0.5601113905563511
Energy: 0.503129227654599
Energy: 0.5416898553205959
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Energy: 0.5871179930651873
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Energy: 0.5864532272587508
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Energy: 0.532652005282287
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Energy: 0.5786439129794488
Energy: 0.5423053531725872
Energy: 0.5757381924477604
Energy: 0.5786439129794488
Energy: 0.565358110058032
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Energy: 0.5111903017279931
Energy: 0.5653581100593835
Energy: 0.5796272048881345
Energy: 0.5111903017279931
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Energy: 0.5728444148640969
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Energy: 0.5553637517428819
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Energy: 0.5790804720022503
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Energy: 0.5661060124774064
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Energy: 0.5790804720981575
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Energy: 0.5306017530545365
Energy: 0.5598138833266878
Energy: 0.5643583193927099
Energy: 0.5306017530531851

minimum gb energy = 0.503129227654599 eV
minimum distance =  2.49889408971036 Angstroms
sigma value = 219


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

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Energy: 0.6741851269738416
Energy: 0.6742020507550425
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Energy: 0.5967328842794665
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Energy: 0.5889229389283537
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Energy: 0.692126308791052
Energy: 0.6221085000085556
Energy: 0.6239342993320933
Energy: 0.692126308791052
Energy: 0.6221085000085556

minimum gb energy = 0.5888985706046704 eV
minimum distance =  2.57416583265956 Angstroms
sigma value = 15


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

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Energy: 0.7326278398121315
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minimum gb energy = 0.620841472104257 eV
minimum distance =  2.50437727005394 Angstroms
sigma value = 293


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

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Energy: 0.6810375852453804
Energy: 0.7079936139263434
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Energy: 0.6774586156896285
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Energy: 0.6774586156894264
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Energy: 0.7079936139267475
Energy: 0.6569513899133437
Energy: 0.6878188268215649
Energy: 0.6135920444658768
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Energy: 0.6878188268294441
Energy: 0.6135920444656748
Energy: 0.6569513899111213
Energy: 0.6878188268355052
Energy: 0.613592044467089
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Energy: 0.6159589569287472
Energy: 0.6170191836308766
Energy: 0.6076389934563478
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Energy: 0.6170191836312806
Energy: 0.6076389934559437
Energy: 0.6159589569293533
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Energy: 0.6076389934561458
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Energy: 0.6584560975887885
Energy: 0.6598213408837662
Energy: 0.625405047092534
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Energy: 0.7230642960288791
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Energy: 0.7230642960288791
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Energy: 0.6220296956989249
Energy: 0.6409386515893968
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Energy: 0.6220296956981168
Energy: 0.6405956774763449
Energy: 0.6477121864842387
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Energy: 0.6477121864779757
Energy: 0.6265305638524302
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Energy: 0.6078392439368615
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Energy: 0.6625754268242968
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Energy: 0.6121848849378855
Energy: 0.6625754268236906
Energy: 0.6954204968450802
Energy: 0.678276109653786
Energy: 0.6545221189252354
Energy: 0.6613421589215364
Energy: 0.6782762370508582
Energy: 0.6545221189246292
Energy: 0.6614499080538362
Energy: 0.678276054245246
Energy: 0.6545221189242251
Energy: 0.6613421589223445
Energy: 0.6782760375824572
Energy: 0.6032447688693783
Energy: 0.6026927599209039
Energy: 0.6187675819971616
Energy: 0.6032447688703882
Energy: 0.6026927599209039
Energy: 0.6187675819979698
Energy: 0.6032447688693783
Energy: 0.6026927599198938
Energy: 0.6187675819977676
Energy: 0.6032447688695803
Energy: 0.6758383671595781
Energy: 0.6509893928728602
Energy: 0.6511606712199439
Energy: 0.675838367159174
Energy: 0.6351450981556197
Energy: 0.6351192664141523
Energy: 0.6758383671597801
Energy: 0.6509893928734664
Energy: 0.651160671220348
Energy: 0.6758383671595781
Energy: 0.6238145889818646
Energy: 0.632512823813949
Energy: 0.6310370373000318
Energy: 0.6238145889812585
Energy: 0.6325128236996347
Energy: 0.6310370373002339
Energy: 0.6238145889812585
Energy: 0.6325128238856341
Energy: 0.6310370372990216
Energy: 0.6238145889830768
Energy: 0.6810375578056457
Energy: 0.6617004662817406
Energy: 0.6542329215046506
Energy: 0.6810375601187092
Energy: 0.6617004662821446
Energy: 0.6542329215036404
Energy: 0.6810375621260408
Energy: 0.6617004662833569
Energy: 0.6542329215032364
Energy: 0.6810375687861496
Energy: 0.7079936139259394
Energy: 0.6774586156904366
Energy: 0.607815791671287
Energy: 0.7079936139249292
Energy: 0.6774586156898305
Energy: 0.6074434241408726
Energy: 0.7079936139259394
Energy: 0.6774586156900326
Energy: 0.6078157916731053
Energy: 0.7079936139265455
Energy: 0.6569513899145376
Energy: 0.6878188267728931
Energy: 0.6135920444654728
Energy: 0.6569513899123336
Energy: 0.6878188268381317
Energy: 0.6135920444658768
Energy: 0.6569513899127376
Energy: 0.6878188268564982
Energy: 0.6135920444668871
Energy: 0.6569513899103132

minimum gb energy = 0.6026927599198938 eV
minimum distance =  2.50617409588921 Angstroms
sigma value = 293


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

Energy: 0.5943625134047612
Energy: 0.5945147075052348
Energy: 0.5943833122829347
Energy: 0.5943625134051264
Energy: 0.5945147075052348
Energy: 0.5943833122825695
Energy: 0.5943625134047612
Energy: 0.5945147075048698
Energy: 0.5943833122829347
Energy: 0.5943625134051264
Energy: 0.6099889905277496
Energy: 0.5946456358702806
Energy: 0.6104139552039503
Energy: 0.6099889905273843
Energy: 0.5946456358702806
Energy: 0.6104139552043153
Energy: 0.6099889905277496
Energy: 0.5946456358702806
Energy: 0.6104139552039503
Energy: 0.6099889905273843
Energy: 0.5942387294089886
Energy: 0.5943261541817225
Energy: 0.6582690154283025
Energy: 0.5942387294086233
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Energy: 0.6582690154385268
Energy: 0.5942387294089886
Energy: 0.5943261541817225
Energy: 0.6582690154509254
Energy: 0.5942387294086233
Energy: 0.6582359690704224
Energy: 0.5941826700547373
Energy: 0.5942432689123532
Energy: 0.6582359690696921
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Energy: 0.5942432689123532
Energy: 0.6582359690704224
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Energy: 0.5942432689119881
Energy: 0.6582359690828211
Energy: 0.6104005019452842
Energy: 0.594567221265393
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Energy: 0.5945672212657581
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Energy: 0.594567221265393
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Energy: 0.5945147075052348
Energy: 0.5943833122829347
Energy: 0.5943625134047612
Energy: 0.5945147075052348
Energy: 0.5943833122832998
Energy: 0.5943625134051264
Energy: 0.5945147075052348
Energy: 0.5943833122829347
Energy: 0.5943625134047612
Energy: 0.5945147075048698
Energy: 0.5946456358702806
Energy: 0.6104139552043153
Energy: 0.6099889905273843
Energy: 0.5946456358706457
Energy: 0.6104139552039503
Energy: 0.6099889905270193
Energy: 0.5946456358706457
Energy: 0.6104139552043153
Energy: 0.6099889905273843
Energy: 0.5946456358702806
Energy: 0.5943261541817225
Energy: 0.6582690154304933
Energy: 0.5942387294093537
Energy: 0.5943261541817225
Energy: 0.6582690154286676
Energy: 0.5942387294086233
Energy: 0.5943261541817225
Energy: 0.6582690154429087
Energy: 0.5942387294089886
Energy: 0.5943261541820877
Energy: 0.5941826700547373
Energy: 0.5942432689127184
Energy: 0.6582359690704224
Energy: 0.5941826700547373
Energy: 0.5942432689123532
Energy: 0.6582359690689618
Energy: 0.5941826700547373
Energy: 0.5942432689119881
Energy: 0.6582359690707875
Energy: 0.5941826700547373
Energy: 0.5945672212657581
Energy: 0.6100999864217362
Energy: 0.6104005019452842
Energy: 0.594567221265393
Energy: 0.6100999864217362
Energy: 0.6104005019449189
Energy: 0.5945672212657581
Energy: 0.6100999864217362
Energy: 0.6104005019452842
Energy: 0.594567221265393
Energy: 0.5943833122832998
Energy: 0.5943625134054915
Energy: 0.5945147075056001
Energy: 0.5943833122829347
Energy: 0.5943625134047612
Energy: 0.5945147075048698
Energy: 0.5943833122829347
Energy: 0.5943625134051264
Energy: 0.5945147075052348
Energy: 0.5943833122832998
Energy: 0.6104139552039503
Energy: 0.6099889905273843
Energy: 0.5946456358702806
Energy: 0.6104139552046806
Energy: 0.6099889905273843
Energy: 0.5946456358702806
Energy: 0.6104139552039503
Energy: 0.6099889905273843
Energy: 0.5946456358706457
Energy: 0.6104139552046806
Energy: 0.6582690154888848
Energy: 0.5942387294086233
Energy: 0.5943261541817225
Energy: 0.6582690154279373
Energy: 0.5942387294089886
Energy: 0.5943261541817225
Energy: 0.6582690154279373
Energy: 0.5942387294086233
Energy: 0.5943261541817225
Energy: 0.6582690154264766
Energy: 0.5942432689119881
Energy: 0.6582359690715178
Energy: 0.5941826700547373
Energy: 0.5942432689127184
Energy: 0.6582359690693268
Energy: 0.5941826700547373
Energy: 0.5942432689127184
Energy: 0.6582359690751693
Energy: 0.5941826700543723
Energy: 0.5942432689123532
Energy: 0.6100999864213711
Energy: 0.6104005019452842
Energy: 0.5945672212657581
Energy: 0.6100999864213711
Energy: 0.6104005019452842
Energy: 0.5945672212650277
Energy: 0.6100999864217362
Energy: 0.6104005019449189
Energy: 0.5945672212657581
Energy: 0.6100999864217362
Energy: 0.5943625134051264
Energy: 0.5945147075052348
Energy: 0.5943833122829347
Energy: 0.5943625134054915
Energy: 0.5945147075052348
Energy: 0.5943833122829347
Energy: 0.5943625134051264
Energy: 0.5945147075052348
Energy: 0.5943833122829347
Energy: 0.5943625134051264
Energy: 0.6099889905273843
Energy: 0.5946456358702806
Energy: 0.6104139552039503
Energy: 0.6099889905273843
Energy: 0.5946456358706457
Energy: 0.6104139552046806
Energy: 0.6099889905273843
Energy: 0.5946456358702806
Energy: 0.6104139552039503
Energy: 0.6099889905270193
Energy: 0.5942387294089886
Energy: 0.5943261541817225
Energy: 0.6582690154326842
Energy: 0.5942387294086233
Energy: 0.5943261541817225
Energy: 0.6582690154337798
Energy: 0.5942387294089886
Energy: 0.5943261541817225
Energy: 0.6582690155042212
Energy: 0.5942387294086233
Energy: 0.6582359690737087
Energy: 0.5941826700547373
Energy: 0.5942432689119881
Energy: 0.6582359690696921
Energy: 0.5941826700543723
Energy: 0.5942432689127184
Energy: 0.6582359690693268
Energy: 0.5941826700547373
Energy: 0.5942432689127184
Energy: 0.6582359690729784
Energy: 0.6104005019452842
Energy: 0.594567221265393
Energy: 0.6100999864217362
Energy: 0.6104005019449189
Energy: 0.5945672212657581
Energy: 0.6100999864217362
Energy: 0.6104005019452842
Energy: 0.594567221265393
Energy: 0.6100999864217362
Energy: 0.6104005019452842
Energy: 0.5945147075056001
Energy: 0.5943833122829347
Energy: 0.5943625134051264
Energy: 0.5945147075048698
Energy: 0.5943833122829347
Energy: 0.5943625134054915
Energy: 0.5945147075052348
Energy: 0.5943833122829347
Energy: 0.5943625134047612
Energy: 0.5945147075052348
Energy: 0.5946456358706457
Energy: 0.6104139552043153
Energy: 0.6099889905277496
Energy: 0.5946456358702806
Energy: 0.6104139552039503
Energy: 0.6099889905273843
Energy: 0.5946456358702806
Energy: 0.6104139552043153
Energy: 0.6099889905273843
Energy: 0.5946456358702806

minimum gb energy = 0.5941826700543723 eV
minimum distance =  2.59985834465072 Angstroms
sigma value = 15


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

Energy: 0.6383101588732489
Energy: 0.6783317864592225
Energy: 0.7022545310808591
Energy: 0.620031940947211
Energy: 0.6783319350979873
Energy: 0.7022545297820703
Energy: 0.6383101588732489
Energy: 0.6783319469756636
Energy: 0.7022545291483856
Energy: 0.620031940947211
Energy: 0.692695844597945
Energy: 0.6106000448753438
Energy: 0.5960328205658953
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Energy: 0.6249808906785002
Energy: 0.630263025969903
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Energy: 0.5971615099793209
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Energy: 0.6017675608791568
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Energy: 0.6204755526496856
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Energy: 0.6585359555945617
Energy: 0.6002223565480028
Energy: 0.6930281325809868
Energy: 0.6585359555945617
Energy: 0.6001987326041027
Energy: 0.6930281325826422
Energy: 0.6585359555929065
Energy: 0.6002223565463476
Energy: 0.6930281325826422
Energy: 0.6585359555929065
Energy: 0.6386624180003152
Energy: 0.5973965274993097
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Energy: 0.6931738460649424
Energy: 0.692289515756325
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Energy: 0.6951445701496526
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Energy: 0.6303606334279158
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Energy: 0.6302584463871198
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Energy: 0.6302584463854645
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Energy: 0.5961447901090209
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Energy: 0.5995257220769469
Energy: 0.6422533481475922
Energy: 0.5961447901123313
Energy: 0.5995257220752916
Energy: 0.6111301531556355
Energy: 0.6235077832409618
Energy: 0.6571867950290383
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Energy: 0.6235077832393067
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Energy: 0.6111301531556355
Energy: 0.611235984828046
Energy: 0.6242859993181227
Energy: 0.6533685606038142
Energy: 0.61106871113894
Energy: 0.624285997575911
Energy: 0.6496236653938741
Energy: 0.611235984828046
Energy: 0.6242860043113994
Energy: 0.6533685606038142
Energy: 0.6110687111323192
Energy: 0.6435726126813601
Energy: 0.5946404118383448
Energy: 0.6366234612671651
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Energy: 0.5946404118383448
Energy: 0.6366234612688203
Energy: 0.6435726126813601
Energy: 0.5946404118366897
Energy: 0.6366234612671651
Energy: 0.6435726126830155
Energy: 0.7002943023052594
Energy: 0.6041423756320443
Energy: 0.7000420230139685
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Energy: 0.6041423756320443
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Energy: 0.6041423756303891
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Energy: 0.7002943023036041
Energy: 0.7462024815208292
Energy: 0.6000208512432251
Energy: 0.6463303573305247
Energy: 0.7386260514004881
Energy: 0.5999993344146912
Energy: 0.646330334549685
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Energy: 0.6000208512432251
Energy: 0.6463304079102792
Energy: 0.7386260513988328
Energy: 0.6024541433190699
Energy: 0.6007302168043552
Energy: 0.6175563970601219
Energy: 0.6024541434613601
Energy: 0.6007302167679701
Energy: 0.6175563970617773
Energy: 0.6024541434762574
Energy: 0.6007302168870869
Energy: 0.6175563970634325
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Energy: 0.6630258167003239
Energy: 0.6668570039254953
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Energy: 0.6668570039271506
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Energy: 0.6668570039254953
Energy: 0.6098268661776756
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Energy: 0.599397278410639
Energy: 0.6030955038365925
Energy: 0.6010715026836607
Energy: 0.5993972784089837
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Energy: 0.6010715026820056
Energy: 0.599397278410639
Energy: 0.603095503839903
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Energy: 0.599397278410639
Energy: 0.6383429761117062
Energy: 0.6561030003167938
Energy: 0.6227838412364436
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Energy: 0.6227838412347882
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Energy: 0.6200371319940767
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Energy: 0.6959888788291971
Energy: 0.6816334558053303
Energy: 0.6200680018857729
Energy: 0.6959888788225762
Energy: 0.6633991394575822
Energy: 0.6384518945652111
Energy: 0.6959888788258867
Energy: 0.6816334558053303
Energy: 0.6200680018841478
Energy: 0.5970461162426907
Energy: 0.707688201268191
Energy: 0.6030347090499091
Energy: 0.5970461162426907
Energy: 0.707688201268191
Energy: 0.6028023656016541
Energy: 0.5970461162426907
Energy: 0.7076882012665658
Energy: 0.6028176271036187
Energy: 0.5970461162426907
Energy: 0.7246348521408253
Energy: 0.6104769862142296
Energy: 0.6031211759592066
Energy: 0.7246348521408253
Energy: 0.6104769862109192
Energy: 0.6031211834193576
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Energy: 0.6104769862125744
Energy: 0.6031211807109392
Energy: 0.7246348521424806
Energy: 0.6031577769006556
Energy: 0.6998644755569114
Energy: 0.6062725201401387
Energy: 0.6031577769039661
Energy: 0.6998644755569114
Energy: 0.5978096041073152
Energy: 0.6031577769006556
Energy: 0.6998644755552562
Energy: 0.606272520141794
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Energy: 0.6794160265777378
Energy: 0.706292715618195
Energy: 0.6001385266545389
Energy: 0.6794160265942901
Energy: 0.7062927157373118
Energy: 0.6001385266528836
Energy: 0.6794160265893245
Energy: 0.7062927157273804
Energy: 0.6001385266545389
Energy: 0.6794160265959455
Energy: 0.664336002716795
Energy: 0.6644523835351848
Energy: 0.6027923027009944
Energy: 0.6643360027134846
Energy: 0.6644523835335295
Energy: 0.6027923027026496
Energy: 0.6643360027151397
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Energy: 0.6027923027009944
Energy: 0.6643360027134846
Energy: 0.6670431877344112
Energy: 0.6506248056980996
Energy: 0.6307841435498761
Energy: 0.6670431877327561
Energy: 0.6506248055723617
Energy: 0.6307841435482208
Energy: 0.6670431877360666
Energy: 0.6506248067156185
Energy: 0.6307841435498761
Energy: 0.6670431877327561
Energy: 0.6117978737883004
Energy: 0.6603806384745299
Energy: 0.6242028004223378
Energy: 0.6117978737899556
Energy: 0.6603806384778403
Energy: 0.6242027997158829
Energy: 0.6117978737883004
Energy: 0.6603806384794956
Energy: 0.6242028016930177
Energy: 0.6117978737899556
Energy: 0.6456249475630838
Energy: 0.6211867819258489
Energy: 0.6208877114868542
Energy: 0.6456342829231304
Energy: 0.6211635526814933
Energy: 0.6208771360149702
Energy: 0.6456251369820009
Energy: 0.6211867819258489
Energy: 0.6208877114818885
Energy: 0.645644727060664
Energy: 0.6671178758925211
Energy: 0.5961596212734463
Energy: 0.6357023394124303
Energy: 0.6671178758925211
Energy: 0.5961596286905914
Energy: 0.6357023394140855
Energy: 0.6671178758925211
Energy: 0.5961596230553536
Energy: 0.6357023394140855
Energy: 0.6671178758925211
Energy: 0.6308050811053973
Energy: 0.6720644193050016
Energy: 0.6303570229661614
Energy: 0.6308050811053973
Energy: 0.6720644099355505
Energy: 0.6303570229661614
Energy: 0.6308050811037421
Energy: 0.6720644090685978
Energy: 0.6303570229678166
Energy: 0.6308050811070225
Energy: 0.6435653634422015
Energy: 0.6008205981172801
Energy: 0.7078959240847869
Energy: 0.6435653921328977
Energy: 0.600809565928503
Energy: 0.7078959240864421
Energy: 0.6435654378732522
Energy: 0.6008205981172801
Energy: 0.7078959240847869
Energy: 0.6435653476201869
Energy: 0.6029196763376382
Energy: 0.6049228721468249
Energy: 0.6471606792684661
Energy: 0.6029196763392934
Energy: 0.6049229584886567
Energy: 0.6473924948529474
Energy: 0.6029196763376382
Energy: 0.6049230959959256
Energy: 0.6474809507793146
Energy: 0.6029196763359829
Energy: 0.6806530494707503
Energy: 0.6309049804258938
Energy: 0.6101446536462185
Energy: 0.6806530494724056
Energy: 0.6309049804292043
Energy: 0.6101584782912918
Energy: 0.6806530494707503
Energy: 0.6309049804275492
Energy: 0.6101446536445632
Energy: 0.6806530494707503
Energy: 0.5976176347912746
Energy: 0.5920302210498157
Energy: 0.6063032787732162
Energy: 0.597617634787964
Energy: 0.5920302210531262
Energy: 0.606306552302308
Energy: 0.5976176347896194
Energy: 0.5920302210514709
Energy: 0.606296155905407
Energy: 0.5976176347896194
Energy: 0.6205297195954808
Energy: 0.6685131097925089
Energy: 0.682734984328144
Energy: 0.6019224755005713
Energy: 0.6685131097925089
Energy: 0.6827355994586054
Energy: 0.6205297195954808
Energy: 0.6685131097925089
Energy: 0.6827356250454621
Energy: 0.6019224754989162

minimum gb energy = 0.5920302210498157 eV
minimum distance =  2.5329953535601 Angstroms
sigma value = 437


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

Energy: 0.5780220604685131
Energy: 0.6274621235258043
Energy: 0.6271491668584552
Energy: 0.578022060469719
Energy: 0.6274621235252013
Energy: 0.6271491668590583
Energy: 0.5780220604685131
Energy: 0.6274621235252013
Energy: 0.6271491668584552
Energy: 0.578022060469719
Energy: 0.6681983259083619
Energy: 0.5722010974167404
Energy: 0.6596981106948363
Energy: 0.6681983259065528
Energy: 0.5722010974161373
Energy: 0.6596981106960423
Energy: 0.6681983259077588
Energy: 0.5722010974167404
Energy: 0.6596981106960423
Energy: 0.6681983259077588
Energy: 0.6707435989308121
Energy: 0.5622339137593461
Energy: 0.6333285984479801
Energy: 0.6707435989296061
Energy: 0.5622339137581399
Energy: 0.6333340400558582
Energy: 0.6707435989308121
Energy: 0.5622339137593461
Energy: 0.6333285687919774
Energy: 0.6707435989296061
Energy: 0.6440981666429032
Energy: 0.690077416224262
Energy: 0.6184362490886601
Energy: 0.6440981666435062
Energy: 0.6900774162218498
Energy: 0.6184362490892632
Energy: 0.6440981666429032
Energy: 0.6900774162236589
Energy: 0.6184362490892632
Energy: 0.6440981666435062
Energy: 0.6487669049875869
Energy: 0.5825694078539851
Energy: 0.791552398433475
Energy: 0.6487669049875869
Energy: 0.5825694078545881
Energy: 0.7915523984358597
Energy: 0.648766904988793
Energy: 0.5825694078539851
Energy: 0.7915523984346537
Energy: 0.64876690498819
Energy: 0.6481214583456005
Energy: 0.6901020211932662
Energy: 0.5729842523747525
Energy: 0.6481214583468066
Energy: 0.6901020211932662
Energy: 0.5729842523759585
Energy: 0.6481214583462034
Energy: 0.6901020211932662
Energy: 0.5729842523747525
Energy: 0.6481214583462034
Energy: 0.6523307185415984
Energy: 0.5884128210681563
Energy: 0.562285410504503
Energy: 0.6879375692938312
Energy: 0.5884128210681563
Energy: 0.5622854105057089
Energy: 0.7067402020330829
Energy: 0.5884128210681563
Energy: 0.562285410504503
Energy: 0.7067402020336859
Energy: 0.6297334790492893
Energy: 0.701031335464333
Energy: 0.6242914676345389
Energy: 0.6297334790492893
Energy: 0.70103133546373
Energy: 0.6242914676321268
Energy: 0.6297334790492893
Energy: 0.7010313354649361
Energy: 0.6242914676321268
Energy: 0.6297334790492893
Energy: 0.6547535409795118
Energy: 0.659950083531609
Energy: 0.5820605159535117
Energy: 0.6547535409801147
Energy: 0.6599500835322121
Energy: 0.5820605159529088
Energy: 0.6547535409795118
Energy: 0.659950083531609
Energy: 0.5820605159535117
Energy: 0.6547535409795118
Energy: 0.6275965825104257
Energy: 0.663468111547589
Energy: 0.6549500244986267
Energy: 0.6275965825104257
Energy: 0.6634681115481922
Energy: 0.6549502420283069
Energy: 0.6275965825104257
Energy: 0.663468111547589
Energy: 0.6549506858422071
Energy: 0.6275965825104257
Energy: 0.564889615825393
Energy: 0.5643046670077908
Energy: 0.6128872897296883
Energy: 0.5648896158265991
Energy: 0.5643046670083938
Energy: 0.6128872897296883
Energy: 0.564889615825393
Energy: 0.5643046670083938
Energy: 0.6128872897290853
Energy: 0.5648896158265991
Energy: 0.6463303941853318
Energy: 0.5745230663261143
Energy: 0.5693271856188812
Energy: 0.6463303941859349
Energy: 0.5745230663249081
Energy: 0.5693272388941829
Energy: 0.6463303941853318
Energy: 0.5745230663261143
Energy: 0.5693272127263898
Energy: 0.6463303941853318
Energy: 0.5818431317043696
Energy: 0.6162045470185735
Energy: 0.581899999628647
Energy: 0.5818431317043696
Energy: 0.6162045470185735
Energy: 0.5818999996280438
Energy: 0.5818431317043696
Energy: 0.6162045470185735
Energy: 0.581899999628647
Energy: 0.5818431317043696
Energy: 0.5782440637323446
Energy: 0.6058345894548065
Energy: 0.623983488417866
Energy: 0.5782440637323446
Energy: 0.6058345894554095
Energy: 0.623983488417866
Energy: 0.5782440637305355
Energy: 0.6058345894554095
Energy: 0.6239834884184688
Energy: 0.5782440637305355

minimum gb energy = 0.5622339137581399 eV
minimum distance =  2.54479545368096 Angstroms
sigma value = 33