Model name: model_name=EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_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=3.987558534741402
cohesive_energy=1.5777628711097502
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: -1.81000000000002 eV

========================================
theta = 0.0
========================================

Energy: 0.005685127501059317
Energy: 0.20396282694998247
Energy: 0.2039628269523585
Energy: 0.005685127501059317
Energy: 0.20396282694879445
Energy: 0.20396282694760642
Energy: 0.005685127501059317
Energy: 0.20396282694998247
Energy: 0.2039628269511705
Energy: 0.005685127502247336
Energy: 0.20228443650597605
Energy: 0.0077549243820637225
Energy: 0.20222932457498294
Energy: 0.20228443650597605
Energy: 0.0077549243820637225
Energy: 0.20222932457972154
Energy: 0.20228443650597605
Energy: 0.007754924380875702
Energy: 0.20222932457615747
Energy: 0.20228443650716407
Energy: 0.325205953385053
Energy: 0.36648466713807987
Energy: 0.006224258346416213
Energy: 0.32553550708570206
Energy: 0.11856755525381865
Energy: 0.006224258346416213
Energy: 0.40327358331160545
Energy: 0.11856755525488517
Energy: 0.006224258346416213
Energy: 0.5403448008738835
Energy: 0.20228443650478803
Energy: 0.2022293245714189
Energy: 0.0077549243820637225
Energy: 0.20228443650716407
Energy: 0.2022293245785335
Energy: 0.007754924380875702
Energy: 0.20228443650835212
Energy: 0.2022293245773455
Energy: 0.007754924379687682
Energy: 0.20228443650597605
Energy: 0.005685127502247336
Energy: 0.20396282694879445
Energy: 0.2039628269511705
Energy: 0.005685127501059317
Energy: 0.20396282694998247
Energy: 0.2039628269464184
Energy: 0.005685127502247336
Energy: 0.2039628269511705
Energy: 0.20396282694879445
Energy: 0.005685127498683276
Energy: 0.20228443650597605
Energy: 0.007754924386815802
Energy: 0.2022293245773455
Energy: 0.20228443650597605
Energy: 0.0077549243880038225
Energy: 0.20222932457379492
Energy: 0.20228443650597605
Energy: 0.007754924379687682
Energy: 0.20222932457498294
Energy: 0.20228443650597605
Energy: 0.40327358203505087
Energy: 0.11856755525488517
Energy: 0.0062242583476042335
Energy: 0.5403448008691449
Energy: 0.11856755525381865
Energy: 0.0062242583476042335
Energy: 0.4032735820255603
Energy: 0.11856755525488517
Energy: 0.006224258348792253
Energy: 0.5403448008738835

minimum gb energy = 0.005685127498683276 eV
minimum distance =  2.44711805768767 Angstroms
sigma value = 3


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

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Energy: 0.5336324383174029
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Energy: 0.5462677029563283
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Energy: 0.4743742533752248
Energy: 0.49952681050759423
Energy: 0.5282239049911592
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Energy: 0.4995268105311524
Energy: 0.5282239049870852
Energy: 0.47437425337493383
Energy: 0.49952681053522646
Energy: 0.5282239049833021
Energy: 0.4743742533787168
Energy: 0.5361896701688741
Energy: 0.5659934736972569
Energy: 0.5336382630486084
Energy: 0.49623462645294264
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Energy: 0.5336382630483175
Energy: 0.5361896701778951
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Energy: 0.4282521768098921
Energy: 0.5459626475553419
Energy: 0.5449294371937216
Energy: 0.42825217681018307
Energy: 0.5459626475768629

minimum gb energy = 0.40783070677724054 eV
minimum distance =  2.63260984608786 Angstroms
sigma value = 75


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

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Energy: 0.4978543077137563
Energy: 0.49797064782689315
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minimum gb energy = 0.49718203830345964 eV
minimum distance =  2.45999057271667 Angstroms
sigma value = 105


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

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Energy: 0.6222188473612976
Energy: 0.5768710093939337
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Energy: 0.5762579178654538
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Energy: 0.5817924867180326
Energy: 0.5550298961264816
Energy: 0.5800868983344161
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Energy: 0.5800868983244913
Energy: 0.6235223934146037
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Energy: 0.5909280127975213
Energy: 0.5867986994834212
Energy: 0.5660655558644672
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Energy: 0.5975220016558739
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Energy: 0.6391900316042766
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Energy: 0.5865878285715099
Energy: 0.5453397164093182
Energy: 0.568014224186618
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Energy: 0.5830314357795963
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Energy: 0.6349504180196905
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Energy: 0.5845437122700949
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Energy: 0.5675916245903054
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Energy: 0.5845437122511995
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Energy: 0.5932376537182906
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Energy: 0.5963709675298628
Energy: 0.5932376537295042
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Energy: 0.5696446078358103
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Energy: 0.5696710833601045
Energy: 0.5701232803989313
Energy: 0.6043996126533824
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Energy: 0.5701232803857955
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Energy: 0.5701232804024484
Energy: 0.5368372830465865
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Energy: 0.5812692403109669
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Energy: 0.5587980027943529
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Energy: 0.536837283036174
Energy: 0.5587980027983578
Energy: 0.5812692403007147
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Energy: 0.5675115085545638
Energy: 0.6788837865052678
Energy: 0.5692546668495652
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Energy: 0.589341343152724
Energy: 0.5525950752883013
Energy: 0.5642637232558892
Energy: 0.5893413431483988
Energy: 0.5525950752817335
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Energy: 0.5893413431418383
Energy: 0.5525950752886217
Energy: 0.5642637232586052
Energy: 0.5418309822887947
Energy: 0.5696292824638105
Energy: 0.5698008042107197
Energy: 0.5418309822843093
Energy: 0.5696292824777471
Energy: 0.5698008042127948
Energy: 0.5418309823038456
Energy: 0.5696292824739025
Energy: 0.5698008042139162
Energy: 0.5418309822807851
Energy: 0.5450344834625751
Energy: 0.5573558386777838
Energy: 0.5807509595937201
Energy: 0.5450344834577694
Energy: 0.5578585413688105
Energy: 0.5807509596025234
Energy: 0.5450344834662595
Energy: 0.5573558386885167
Energy: 0.5807509595945212
Energy: 0.5450344834630557
Energy: 0.5820646569381082
Energy: 0.5608157857352778
Energy: 0.5981986606248522
Energy: 0.5820646569379481
Energy: 0.5609044294191167
Energy: 0.5981986606182842
Energy: 0.5820646569478799
Energy: 0.5608157857450423
Energy: 0.5981986606250121
Energy: 0.582064656938749
Energy: 0.5689009070543531
Energy: 0.5684602791237087
Energy: 0.5850481044541623
Energy: 0.5689009070436275
Energy: 0.5684602791318711
Energy: 0.5850481044469537
Energy: 0.568900907050676
Energy: 0.5684602791318711
Energy: 0.5850481044451915
Energy: 0.5689009070581977
Energy: 0.5588851948074451
Energy: 0.6157567399031413
Energy: 0.5786235510759937
Energy: 0.55888519481753
Energy: 0.6186927665594244
Energy: 0.5786235510814403
Energy: 0.5588851948125712
Energy: 0.6157567398876099
Energy: 0.5786235510793578
Energy: 0.5588851948156149
Energy: 0.6246000408411311
Energy: 0.5779508362818409
Energy: 0.5772934132810195
Energy: 0.6246000408475315
Energy: 0.5778836496902678
Energy: 0.577293413280539
Energy: 0.6246000408476916
Energy: 0.5779508362900106
Energy: 0.5772934132798981
Energy: 0.6246000408305583
Energy: 0.5813830954638787
Energy: 0.5554800650108926
Energy: 0.5797847067838923
Energy: 0.5813830954662816
Energy: 0.5554152772309379
Energy: 0.5797847067999042
Energy: 0.5813830954842159
Energy: 0.5554800650227396
Energy: 0.5797847068042221
Energy: 0.5813830954720485

minimum gb energy = 0.536837283036174 eV
minimum distance =  2.58365758397268 Angstroms
sigma value = 165


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

Energy: 0.5629620173558183
Energy: 0.5946138097744761
Energy: 0.5946011201000149
Energy: 0.5629620173536185
Energy: 0.5946138097788757
Energy: 0.5946011200917782
Energy: 0.5629620173569182
Energy: 0.5946138097728263
Energy: 0.594601120098915
Energy: 0.5629620173541685
Energy: 0.5943264015715259
Energy: 0.5653242986062825
Energy: 0.6133950824099654
Energy: 0.5943264015775629
Energy: 0.5653242986106821
Energy: 0.6133950824077655
Energy: 0.5943264015748132
Energy: 0.5653242986073824
Energy: 0.6133950824116151
Energy: 0.5943264015753631
Energy: 0.5866917151453468
Energy: 0.6191625085765439
Energy: 0.5405270197429216
Energy: 0.5866917151403972
Energy: 0.619162508574894
Energy: 0.5405270197429216
Energy: 0.5866917151442469
Energy: 0.6191625085743441
Energy: 0.5405270197533707
Energy: 0.5866917151398473
Energy: 0.6307153835445738
Energy: 0.6235472431189064
Energy: 0.5652284925517559
Energy: 0.630715383537987
Energy: 0.6235472431161567
Energy: 0.5652284925523059
Energy: 0.6307153835434863
Energy: 0.6235472431189064
Energy: 0.5652284925523059
Energy: 0.6307153835412865
Energy: 0.5831706318271941
Energy: 0.6052676284602321
Energy: 0.5834244057754223
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Energy: 0.6052676284591322
Energy: 0.5834244057671731
Energy: 0.5831706318194948
Energy: 0.6052676284580324
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Energy: 0.5831706318134454
Energy: 0.5649492744799156
Energy: 0.6520781290382565
Energy: 0.6303515967364035
Energy: 0.5649492744821153
Energy: 0.6520781290267075
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Energy: 0.6303515967358536
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Energy: 0.5928526798894785
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Energy: 0.6376998557141647
Energy: 0.594738818692459
Energy: 0.5949467568427137
Energy: 0.6376998557147147
Energy: 0.5930068783769251
Energy: 0.5928111833328854
Energy: 0.6153413328626083
Energy: 0.5930068783763752
Energy: 0.5928111833427845
Energy: 0.6153413328741573
Energy: 0.5930068783769251
Energy: 0.5928111833312355
Energy: 0.615341332865908
Energy: 0.5930068783774751
Energy: 0.5649893120997603
Energy: 0.6303012965529536
Energy: 0.652285607345533
Energy: 0.5649893120986603
Energy: 0.6303012965535036
Energy: 0.6522856073510326
Energy: 0.5649893120981104
Energy: 0.6303012965584531
Energy: 0.6522856073537697
Energy: 0.5649893120992103
Energy: 0.5832092813339408
Energy: 0.5834454174539965
Energy: 0.6051886113770594
Energy: 0.5832092813383404
Energy: 0.5834454174435599
Energy: 0.6051886113803465
Energy: 0.5832092813333909
Energy: 0.5834454174528966
Energy: 0.6051886113776093
Energy: 0.5832092813339408
Energy: 0.6307876714975342
Energy: 0.5650923633719355
Energy: 0.6235747827405297
Energy: 0.6307876714909348
Energy: 0.5650923633708357
Energy: 0.6235747827416296
Energy: 0.6307876714997339
Energy: 0.5650923633713855
Energy: 0.6235747827383299
Energy: 0.6307876714909348
Energy: 0.5865438796715788
Energy: 0.5403679065544424
Energy: 0.619193642733695
Energy: 0.5865438796721287
Energy: 0.540367906552805
Energy: 0.6191936427463438
Energy: 0.586543879669929
Energy: 0.540367906552805
Energy: 0.6191936427402943
Energy: 0.5865438796721287
Energy: 0.5942041716947648
Energy: 0.6136150004728623
Energy: 0.5652923902435029
Energy: 0.5942041716920151
Energy: 0.6136150004728623
Energy: 0.5652923902336162
Energy: 0.5942041716887279
Energy: 0.6136150004712124
Energy: 0.5652923902440528
Energy: 0.5942041716903652
Energy: 0.5629620173552684
Energy: 0.5946138097799756
Energy: 0.5946011200917782
Energy: 0.5629620173547185
Energy: 0.5946138097816128
Energy: 0.5946011200835291
Energy: 0.5629620173569182
Energy: 0.5946138097788757
Energy: 0.594601120092878
Energy: 0.5629620173541685

minimum gb energy = 0.540367906552805 eV
minimum distance =  2.58001453708431 Angstroms
sigma value = 41


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

Energy: 0.660281355689951
Energy: 0.5473208692164266
Energy: 0.5463482594265511
Energy: 0.6186364579292993
Energy: 0.5473208691999967
Energy: 0.5463482594406338
Energy: 0.6602813556805626
Energy: 0.547320869209812
Energy: 0.5463482594297517
Energy: 0.6186364579318598
Energy: 0.5594863568513347
Energy: 0.47777333369270325
Energy: 0.5504678719002228
Energy: 0.5594863568506946
Energy: 0.47777333370486563
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Energy: 0.477773333689716
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Energy: 0.5594863568590163
Energy: 0.5197846408411255
Energy: 0.4820445544269238
Energy: 0.5172167583745616
Energy: 0.5175433034147756
Energy: 0.4820445544260703
Energy: 0.49801359688273306
Energy: 0.5266704704207328
Energy: 0.4820445544026185
Energy: 0.5033610751504624
Energy: 0.507794195127101
Energy: 0.5017847365224803
Energy: 0.5020487495006355
Energy: 0.4961077870275904
Energy: 0.5017847365233338
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Energy: 0.4960727437317471
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Energy: 0.5017847365214134
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Energy: 0.4964866621091058
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Energy: 0.5404397334546333
Energy: 0.5309625989474864
Energy: 0.5029953603859355
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Energy: 0.5309625989509005
Energy: 0.5029953603814546
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Energy: 0.550683185199373
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Energy: 0.48019045579403397
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Energy: 0.497430910194476
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Energy: 0.47863139315573744
Energy: 0.5296811267620012
Energy: 0.5415503061654527
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Energy: 0.5296811267466381
Energy: 0.5259640863317683
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Energy: 0.5456652235082026
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Energy: 0.47722881845393683
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Energy: 0.4804600780889034
Energy: 0.5113456747818343
Energy: 0.5148568901052722
Energy: 0.48046007808250213
Energy: 0.5113050252995808
Energy: 0.5149585461450003
Energy: 0.4804600780778272
Energy: 0.4924914808646006
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Energy: 0.5012702132894218
Energy: 0.4924914808392091
Energy: 0.49663127702658805
Energy: 0.501270213301778
Energy: 0.49249148085713257
Energy: 0.49645013944259725
Energy: 0.5012702133103131
Energy: 0.49249148087930406
Energy: 0.5459589660081287
Energy: 0.4961699846218945
Energy: 0.5300724789167865
Energy: 0.5459589660017274
Energy: 0.4961728383857235
Energy: 0.5300724789052838
Energy: 0.5459589659868107
Energy: 0.496169984619334
Energy: 0.530072478932363
Energy: 0.5459589659868107
Energy: 0.5380344113326427
Energy: 0.5457045796897658
Energy: 0.5046775081538367
Energy: 0.5380344113275217
Energy: 0.5457045796814443
Energy: 0.5046775081480755
Energy: 0.538034411327095
Energy: 0.5457045796948868
Energy: 0.5046775081557572
Energy: 0.5380344113465121

minimum gb energy = 0.4771885273133708 eV
minimum distance =  2.54508194991514 Angstroms
sigma value = 185


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

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Energy: 0.26643087398464405
Energy: 0.26966583069355154
Energy: 0.4439102558866989
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Energy: 0.44541584178054877
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Energy: 0.47842791368301024
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Energy: 0.3333249201085487
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Energy: 0.2705687100093254
Energy: 0.33000491497760304
Energy: 0.478427913693395
Energy: 0.270568710016924
Energy: 0.33332492010474934
Energy: 0.42634899769760387
Energy: 0.42683890276703523
Energy: 0.2661402072651978
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Energy: 0.45153092039808984
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Energy: 0.4263489976867126
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Energy: 0.454076963104487
Energy: 0.47179692441549215
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Energy: 0.4717969244294229
Energy: 0.3544192741514391
Energy: 0.26674850288003565
Energy: 0.49653660742225275

minimum gb energy = 0.26322631257823453 eV
minimum distance =  2.59591701834312 Angstroms
sigma value = 33


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

Energy: 0.46009936420450354
Energy: 0.47659149334401296
Energy: 0.47659481357690364
Energy: 0.45978175504517266
Energy: 0.4765914933398416
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Energy: 0.47806340804250474
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Energy: 0.46661471602975896
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Energy: 0.4574120681177686
Energy: 0.4866334481005924
Energy: 0.45109972753176747

minimum gb energy = 0.44549485242297804 eV
minimum distance =  2.53217377965932 Angstroms
sigma value = 219


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

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Energy: 0.6287690645958536
Energy: 0.6287346830748541
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Energy: 0.5915901410276317
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Energy: 0.6403925043328768
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Energy: 0.6174419090406474
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Energy: 0.6372776354365726
Energy: 0.6174419090406474
Energy: 0.6170681631934944
Energy: 0.6372776354365726
Energy: 0.6174419090434082

minimum gb energy = 0.5905239884403217 eV
minimum distance =  2.56014652797679 Angstroms
sigma value = 15


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

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minimum gb energy = 0.6655126490831133 eV
minimum distance =  2.54877364803906 Angstroms
sigma value = 293


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

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Energy: 0.6648531445970548
Energy: 0.7114328891755202
Energy: 0.6656430037097787
Energy: 0.6648531445995491
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Energy: 0.6656430037124809
Energy: 0.6648531446001726
Energy: 0.711432889175936
Energy: 0.6656430037133124
Energy: 0.6648531446001726
Energy: 0.665193502887466
Energy: 0.6898077811942919
Energy: 0.7261014092811884
Energy: 0.6651935028868423
Energy: 0.6898077811932526
Energy: 0.7261014092809805
Energy: 0.6651935028824774
Energy: 0.6898077811934604
Energy: 0.7261014092778626
Energy: 0.6651935028849716
Energy: 0.7092688448106054
Energy: 0.6788672779933081
Energy: 0.665126699131534
Energy: 0.7092688448103975
Energy: 0.6788672779897746
Energy: 0.6651266991350676
Energy: 0.7092688448101897
Energy: 0.678867277990606
Energy: 0.6651266991321576
Energy: 0.7092688448118525
Energy: 0.6902170921852939
Energy: 0.6951881221581112
Energy: 0.6641664923169865
Energy: 0.6902170921884118
Energy: 0.6951881221502125
Energy: 0.6641664923161551
Energy: 0.6902170921857096
Energy: 0.6951881221624763
Energy: 0.6641664923142844
Energy: 0.6902170921871646
Energy: 0.6787873753011159
Energy: 0.6723178544319595
Energy: 0.6646371503641313
Energy: 0.6787873752996609
Energy: 0.6723178544325831
Energy: 0.6646371503711891
Energy: 0.6787873752988295
Energy: 0.6723178544323751
Energy: 0.6646371503655862
Energy: 0.6787873753002845
Energy: 0.7083563078892059
Energy: 0.7016286041397335
Energy: 0.6655777642341987
Energy: 0.7083563078871273
Energy: 0.7016286041424357
Energy: 0.6655777642360694
Energy: 0.708356307886088
Energy: 0.7016286041451378
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Energy: 0.683151106976238
Energy: 0.6851044797727817
Energy: 0.6850220298518345
Energy: 0.6831511069731202
Energy: 0.6851044797796316
Energy: 0.6850220298561994
Energy: 0.6831511069751988
Energy: 0.6851044797748603
Energy: 0.685022029853913
Energy: 0.6831511069741594
Energy: 0.7083210948809816
Energy: 0.6657499584668162
Energy: 0.7016785271854887
Energy: 0.7083210948845058
Energy: 0.6657499584651533
Energy: 0.7016785271877752
Energy: 0.7083210948795265
Energy: 0.665749958463906
Energy: 0.7016785271869438
Energy: 0.7083210948826445
Energy: 0.6788035683032057
Energy: 0.6648057986703719
Energy: 0.6722560188482366
Energy: 0.6788035683005035
Energy: 0.6648057986718268
Energy: 0.6722560188478208
Energy: 0.6788035683019584
Energy: 0.6648057986712033
Energy: 0.6722560188496917
Energy: 0.6788035683023743
Energy: 0.6900911729863308
Energy: 0.6641812613377529
Energy: 0.6953365848735059
Energy: 0.6900911729867465
Energy: 0.6641812613398316
Energy: 0.6953365848676857
Energy: 0.6900911729871623
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Energy: 0.6953365848651915
Energy: 0.6900911729877859
Energy: 0.7094146268701412
Energy: 0.6653484471977821
Energy: 0.6782809834727369
Energy: 0.7094146268711803
Energy: 0.6653484471973664
Energy: 0.6782809834714897
Energy: 0.7094146268755455
Energy: 0.6653484471938327
Energy: 0.6782809834737762
Energy: 0.7094146268672311
Energy: 0.665171088585029
Energy: 0.7260885473655456
Energy: 0.6896934001159741
Energy: 0.6651710885846134
Energy: 0.7260885473622198
Energy: 0.6896934001188747
Energy: 0.6651710885873156
Energy: 0.7260885473630512
Energy: 0.6896934001172212
Energy: 0.6651710885777539
Energy: 0.6648101818115235
Energy: 0.666826758835661
Energy: 0.6855270684096271
Energy: 0.6648101818140179
Energy: 0.6668267588339982
Energy: 0.6855270684015206
Energy: 0.6648101818092371
Energy: 0.6668267588344139
Energy: 0.6855270684006891
Energy: 0.6648101818117315
Energy: 0.7369890848724239
Energy: 0.697007097680197
Energy: 0.6970424019885056
Energy: 0.736989084870553
Energy: 0.697007097683107
Energy: 0.6970424019885056
Energy: 0.736989084870553
Energy: 0.6970070976787418
Energy: 0.6970424019899606
Energy: 0.7369890848730475
Energy: 0.6648531445989255
Energy: 0.7114328891767674
Energy: 0.6656430037104023
Energy: 0.6648531445962234
Energy: 0.7114328891763517
Energy: 0.6656430037104023
Energy: 0.6648531445989255
Energy: 0.7114328891711552
Energy: 0.6656430037108181
Energy: 0.6648531445980941
Energy: 0.6651935028802003
Energy: 0.6898077811942919
Energy: 0.7261014092816042
Energy: 0.6651935028876738
Energy: 0.6898077811934604
Energy: 0.7261014092807727
Energy: 0.6651935028855952
Energy: 0.6898077811949154
Energy: 0.7261014092826436
Energy: 0.6651935028824774
Energy: 0.7092688448130997
Energy: 0.6788672779879038
Energy: 0.6651266991327812
Energy: 0.7092688448135154
Energy: 0.6788672779928924
Energy: 0.6651266991334048
Energy: 0.7092688448095661
Energy: 0.6788672779910216
Energy: 0.6651266991338205
Energy: 0.7092688448089425
Energy: 0.6902170921869567
Energy: 0.6951881221570718
Energy: 0.6641664923136607
Energy: 0.690217092185086
Energy: 0.6951881221639312
Energy: 0.6641664923180258
Energy: 0.6902170921879961
Energy: 0.6951881221520833
Energy: 0.6641664923165708
Energy: 0.6902170921855016

minimum gb energy = 0.6641664923136607 eV
minimum distance =  2.51256970778869 Angstroms
sigma value = 293


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

Energy: 0.6792615602415975
Energy: 0.681296991687263
Energy: 0.6813447569522827
Energy: 0.6792615602404704
Energy: 0.6812969916880144
Energy: 0.6813447569500286
Energy: 0.6792615602393435
Energy: 0.681296991686136
Energy: 0.6813447569500286
Energy: 0.6792615602367136
Energy: 0.6789331088222345
Energy: 0.6797483488600631
Energy: 0.6801091271666455
Energy: 0.6789331088248557
Energy: 0.6797483488611901
Energy: 0.6801091271673968
Energy: 0.6789331088188533
Energy: 0.6797483488611901
Energy: 0.6801091271681481
Energy: 0.6789331088259828
Energy: 0.6802639904940464
Energy: 0.6800561410054091
Energy: 0.7399974663258513
Energy: 0.6802639904895468
Energy: 0.6800561410080389
Energy: 0.7399974663243484
Energy: 0.6802639904895468
Energy: 0.6800561410099173
Energy: 0.7399974663217187
Energy: 0.6802639904861657
Energy: 0.7399703570025062
Energy: 0.6801640710327316
Energy: 0.6799298905759631
Energy: 0.7399703570058875
Energy: 0.6801640710364798
Energy: 0.6799298905752117
Energy: 0.7399703570025062
Energy: 0.6801640710342344
Energy: 0.6799298905797114
Energy: 0.7399703570017548
Energy: 0.6800901102298228
Energy: 0.6797584948666411
Energy: 0.6789320437465278
Energy: 0.6800901102335797
Energy: 0.6797584948632599
Energy: 0.6789320437487819
Energy: 0.6800901102298228
Energy: 0.6797584948617572
Energy: 0.6789320437435225
Energy: 0.6800901102362094
Energy: 0.6812969916842576
Energy: 0.6813447569515313
Energy: 0.6792615602400949
Energy: 0.6812969916857603
Energy: 0.6813447569496529
Energy: 0.6792615602348351
Energy: 0.6812969916850089
Energy: 0.6813447569511555
Energy: 0.6792615602389677
Energy: 0.6812969916850089
Energy: 0.6797483488615659
Energy: 0.6801091271647671
Energy: 0.678933108819229
Energy: 0.6797483488596874
Energy: 0.680109127160643
Energy: 0.6789331088218588
Energy: 0.6797483488634443
Energy: 0.6801091271677725
Energy: 0.6789331088203561
Energy: 0.6797483488585604
Energy: 0.6800561410050335
Energy: 0.7399974663243484
Energy: 0.6802639904910409
Energy: 0.6800561410080389
Energy: 0.7399974663217187
Energy: 0.6802639904865413
Energy: 0.6800561410087903
Energy: 0.7399974663187131
Energy: 0.680263990486917
Energy: 0.6800561410080389
Energy: 0.6801640710361043
Energy: 0.679929890574836
Energy: 0.7399703570013791
Energy: 0.6801640710331073
Energy: 0.6799298905752117
Energy: 0.7399703570081415
Energy: 0.6801640710379827
Energy: 0.6799298905695764
Energy: 0.7399703570066388
Energy: 0.6801640710349771
Energy: 0.6797584948628843
Energy: 0.6789320437476548
Energy: 0.6800901102305741
Energy: 0.6797584948636356
Energy: 0.6789320437435225
Energy: 0.680090110234331
Energy: 0.6797584948613814
Energy: 0.6789320437472792
Energy: 0.6800901102294471
Energy: 0.6797584948628843
Energy: 0.681344756951907
Energy: 0.6792615602400949
Energy: 0.6812969916853846
Energy: 0.6813447569504042
Energy: 0.6792615602431002
Energy: 0.6812969916842576
Energy: 0.6813447569500286
Energy: 0.6792615602348351
Energy: 0.6812969916853846
Energy: 0.6813447569496529
Energy: 0.6801091271640156
Energy: 0.6789331088237373
Energy: 0.6797483488630686
Energy: 0.6801091271685239
Energy: 0.6789331088252314
Energy: 0.6797483488570576
Energy: 0.6801091271643913
Energy: 0.6789331088233616
Energy: 0.6797483488600631
Energy: 0.6801091271696509
Energy: 0.7399974663187131
Energy: 0.6802639904861657
Energy: 0.6800561410050335
Energy: 0.7399974663213429
Energy: 0.6802639904917924
Energy: 0.6800561410076632
Energy: 0.7399974663209674
Energy: 0.6802639904891711
Energy: 0.6800561410065361
Energy: 0.7399974663239728
Energy: 0.6799298905755875
Energy: 0.7399703570073901
Energy: 0.6801640710368555
Energy: 0.6799298905695764
Energy: 0.7399703570047604
Energy: 0.6801640710364798
Energy: 0.6799298905819655
Energy: 0.7399703570058875
Energy: 0.6801640710372313
Energy: 0.6799298905714549
Energy: 0.6789320437491577
Energy: 0.6800901102305741
Energy: 0.6797584948651383
Energy: 0.6789320437408926
Energy: 0.6800901102377123
Energy: 0.6797584948621328
Energy: 0.6789320437446493
Energy: 0.680090110234331
Energy: 0.6797584948606386
Energy: 0.6789320437420195
Energy: 0.6792615602408462
Energy: 0.6812969916842576
Energy: 0.6813447569511555
Energy: 0.6792615602367136
Energy: 0.6812969916853846
Energy: 0.6813447569496529
Energy: 0.6792615602389677
Energy: 0.681296991686136
Energy: 0.6813447569526584
Energy: 0.6792615602367136
Energy: 0.6789331088222345
Energy: 0.6797483488611901
Energy: 0.6801091271655184
Energy: 0.6789331088233616
Energy: 0.6797483488630686
Energy: 0.6801091271651427
Energy: 0.6789331088211075
Energy: 0.6797483488600631
Energy: 0.6801091271670211
Energy: 0.6789331088244885
Energy: 0.6802639904899225
Energy: 0.6800561410084146
Energy: 0.7399974663217187
Energy: 0.6802639904865413
Energy: 0.6800561410069119
Energy: 0.7399974663209674
Energy: 0.6802639904902981
Energy: 0.6800561410121629
Energy: 0.7399974663239728
Energy: 0.6802639904891711
Energy: 0.7399703570040089
Energy: 0.6801640710349771
Energy: 0.6799298905729576
Energy: 0.7399703570066388
Energy: 0.6801640710391097
Energy: 0.6799298905650683
Energy: 0.7399703570058875
Energy: 0.6801640710289747
Energy: 0.6799298905733333
Energy: 0.7399703570096443
Energy: 0.6800901102339553
Energy: 0.6797584948625085
Energy: 0.6789320437461522
Energy: 0.6800901102347068
Energy: 0.6797584948628843
Energy: 0.6789320437469035
Energy: 0.6800901102260746
Energy: 0.6797584948625085
Energy: 0.6789320437484063
Energy: 0.6800901102407176
Energy: 0.6812969916842576
Energy: 0.6813447569545282
Energy: 0.6792615602397191
Energy: 0.6812969916857603
Energy: 0.6813447569537767
Energy: 0.6792615602374651
Energy: 0.6812969916857603
Energy: 0.6813447569522827
Energy: 0.6792615602404704
Energy: 0.681296991686136
Energy: 0.6797483488604388
Energy: 0.6801091271688995
Energy: 0.6789331088248557
Energy: 0.6797483488589361
Energy: 0.680109127165894
Energy: 0.6789331088214832
Energy: 0.6797483488600631
Energy: 0.6801091271670211
Energy: 0.6789331088169749
Energy: 0.679748348857809

minimum gb energy = 0.6789320437408926 eV
minimum distance =  2.54370726162071 Angstroms
sigma value = 15


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

Energy: 0.7041111613522979
Energy: 0.6953262985802883
Energy: 0.6671014182681996
Energy: 0.67905664660004
Energy: 0.6953262985939122
Energy: 0.6671014182681996
Energy: 0.7041111613625157
Energy: 0.6953262986075204
Energy: 0.6671014182647936
Energy: 0.679056646596634
Energy: 0.6977767831403653
Energy: 0.6546368218058995
Energy: 0.6487511713117367
Energy: 0.697776783126757
Energy: 0.6546368217905728
Energy: 0.6487511712981283
Energy: 0.697776783155692
Energy: 0.6546368217888698
Energy: 0.6487511712896135
Energy: 0.6977767831522862
Energy: 0.6961065739031059
Energy: 0.6719118301472562
Energy: 0.673355845813147
Energy: 0.6961065738860918
Energy: 0.6719118301387569
Energy: 0.6733558458267708
Energy: 0.696106573867359
Energy: 0.6719118301387569
Energy: 0.6733558458267708
Energy: 0.6961065738962942
Energy: 0.6496415028672694
Energy: 0.6450302983502237
Energy: 0.6456568933591407
Energy: 0.6496415028842992
Energy: 0.6450302983366154
Energy: 0.6456568933778735
Energy: 0.649641502889408
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Energy: 0.6456568933523288
Energy: 0.649641502892814
Energy: 0.6480899667836527
Energy: 0.6548383736884223
Energy: 0.7071430053837207
Energy: 0.648089966793855
Energy: 0.6548383736850164
Energy: 0.7071430053854236
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Energy: 0.6548383736867194
Energy: 0.7071430053990474
Energy: 0.6480899667853401
Energy: 0.6780814816389859
Energy: 0.7095818812427076
Energy: 0.6434914878238823
Energy: 0.6780814816270649
Energy: 0.7095818821142431
Energy: 0.6434914878358031
Energy: 0.6780814816287679
Energy: 0.7095818808001356
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Energy: 0.6780814816492037
Energy: 0.6973454236571845
Energy: 0.6449722304456793
Energy: 0.6977978229756117
Energy: 0.697337216235573
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Energy: 0.6977978229756117
Energy: 0.6973454236486851
Energy: 0.6449722304473823
Energy: 0.6977978229858295
Energy: 0.6973372162168558
Energy: 0.652867433969115
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Energy: 0.6978436180478368
Energy: 0.6528674339776298
Energy: 0.6514474192279637
Energy: 0.6978436180342285
Energy: 0.6528674339725208
Energy: 0.6514474192194489
Energy: 0.6978436180563516
Energy: 0.6528674339589126
Energy: 0.6663968609767975
Energy: 0.6814153889760365
Energy: 0.6790220402850801
Energy: 0.6663968609750947
Energy: 0.6811934186971194
Energy: 0.6790361587821032
Energy: 0.6663968609955148
Energy: 0.6814153889879417
Energy: 0.6790220402799867
Energy: 0.666396860987
Energy: 0.6540942427503273
Energy: 0.7482345896071727
Energy: 0.6687317522572088
Energy: 0.6532232701193231
Energy: 0.7482345895901583
Energy: 0.6686408153320126
Energy: 0.6540942427639357
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Energy: 0.6609152254179899
Energy: 0.6387051295295567
Energy: 0.6904656209711073
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Energy: 0.6387051295193389
Energy: 0.6904656209642955
Energy: 0.6609152254213958
Energy: 0.6387051295295567
Energy: 0.6904656209608895
Energy: 0.6609152254333012
Energy: 0.7101277500321985
Energy: 0.6412252464031173
Energy: 0.7508443386961564
Energy: 0.7101277500390104
Energy: 0.6412112669790028
Energy: 0.7508443386927506
Energy: 0.7101277500526187
Energy: 0.6412252464082261
Energy: 0.7508443386723302
Energy: 0.7101277500458224
Energy: 0.7006973524678173
Energy: 0.6437597423441006
Energy: 0.677234519718009
Energy: 0.7006973524678173
Energy: 0.6437597423355859
Energy: 0.6772345197248208
Energy: 0.7006973524524905
Energy: 0.6437597423372887
Energy: 0.677234519714603
Energy: 0.7006973524593024
Energy: 0.6451804663609082
Energy: 0.6448023376163989
Energy: 0.7529245189787063
Energy: 0.6451804663489875
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Energy: 0.7529245189820968
Energy: 0.6451804663404725
Energy: 0.6448023376214924
Energy: 0.7529245189753002
Energy: 0.6451804663421755
Energy: 0.6967360224928405
Energy: 0.6585100057841679
Energy: 0.6526349527159429
Energy: 0.6967360224860287
Energy: 0.6585099886002795
Energy: 0.6526254163167633
Energy: 0.6967360224792167
Energy: 0.6585099882564336
Energy: 0.652634952710834
Energy: 0.6967360224741079
Energy: 0.6490041226894582
Energy: 0.657632585999364
Energy: 0.7317910570275101
Energy: 0.6490041226707255
Energy: 0.6576325859840373
Energy: 0.7317910570070745
Energy: 0.6490041226809433
Energy: 0.6576325859891462
Energy: 0.7317910570206984
Energy: 0.6490041226962546
Energy: 0.6595103419164201
Energy: 0.7385965187395367
Energy: 0.685607336525548
Energy: 0.684715700240209
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Energy: 0.685607336513627
Energy: 0.6595103419164201
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Energy: 0.685607336518736
Energy: 0.6847157002351001
Energy: 0.7331031875285511
Energy: 0.6622449625102587
Energy: 0.647088076653584
Energy: 0.7331031875166303
Energy: 0.6622449624779176
Energy: 0.6470880766757072
Energy: 0.7331031875251453
Energy: 0.6622449624762146
Energy: 0.6470880766740043
Energy: 0.733103187540472
Energy: 0.6470364835625246
Energy: 0.6548190961837846
Energy: 0.6554258276855429
Energy: 0.6470364835608217
Energy: 0.6548190961650674
Energy: 0.655425827682137
Energy: 0.6470364835489009
Energy: 0.6548190961633644
Energy: 0.6554258276685132
Energy: 0.6470364835540099
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Energy: 0.6523042520866928
Energy: 0.6742702318360003
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Energy: 0.6523042520781778
Energy: 0.6742702318445152
Energy: 0.7240277009423569
Energy: 0.6523042520815838
Energy: 0.6742702318257824
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Energy: 0.6771590825503413
Energy: 0.653957764315909
Energy: 0.7380153430342388
Energy: 0.6771590825571533
Energy: 0.6539577643176119
Energy: 0.7380153430342388
Energy: 0.6771590825469355
Energy: 0.6539577643005822
Energy: 0.738015343044441
Energy: 0.6771590825350301
Energy: 0.6881117596013357
Energy: 0.7210642855463536
Energy: 0.6437000677243273
Energy: 0.6881117595945394
Energy: 0.7210642855497595
Energy: 0.6437000677328422
Energy: 0.6881117595911334
Energy: 0.7210642855718827
Energy: 0.6437000677311392
Energy: 0.6881117595911334
Energy: 0.7009934165412557
Energy: 0.6738720817853376
Energy: 0.6891886434696436
Energy: 0.7009878300940997
Energy: 0.6744190905674461
Energy: 0.6891886434679407
Energy: 0.7009934165310379
Energy: 0.6738720817785258
Energy: 0.6891886434764556
Energy: 0.7009878300804759
Energy: 0.6451128913117665
Energy: 0.6604076951676622
Energy: 0.6340045063116733
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Energy: 0.6946357736843268
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Energy: 0.6539860947797483
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Energy: 0.6928778044073468
Energy: 0.6360555300985784
Energy: 0.6882600438639913
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Energy: 0.6928778044226737
Energy: 0.6689660208966731
Energy: 0.6542441436980554
Energy: 0.7815368566641684
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Energy: 0.6562589561863246
Energy: 0.6458495858066271
Energy: 0.644988192113231
Energy: 0.6562589561999483
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Energy: 0.6458495858355623
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Energy: 0.6562589561965424
Energy: 0.7129118601815313
Energy: 0.6841095179283438
Energy: 0.6549159688488877
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Energy: 0.6433892663188453
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Energy: 0.6579868711105492
Energy: 0.6668871425482967
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Energy: 0.6668871425653109
Energy: 0.6447764963740453
Energy: 0.7152140284054532
Energy: 0.6573290502474816
Energy: 0.6358564553684267
Energy: 0.7017788082429398
Energy: 0.65552160891006
Energy: 0.6358564553752385
Energy: 0.7017788082633756
Energy: 0.6555216088947331
Energy: 0.6358564553565214
Energy: 0.7017788082599695
Energy: 0.6555216088896243
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Energy: 0.6849743699562604
Energy: 0.656072191894303
Energy: 0.6435503945429547
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Energy: 0.6435503945480637
Energy: 0.6849743699545574
Energy: 0.6560721918926002
Energy: 0.6435503945599845
Energy: 0.6849743699613536
Energy: 0.6562194434431929
Energy: 0.7227084402583865
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Energy: 0.6887793229789021
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Energy: 0.6459681511874625
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Energy: 0.6543851350477333
Energy: 0.6459681511823692
Energy: 0.7360345177720884
Energy: 0.6543851350579512
Energy: 0.6459681511704484
Energy: 0.7360345177499653
Energy: 0.654385135032422
Energy: 0.6459681511823692
Energy: 0.7355052921289535
Energy: 0.6806991974072771
Energy: 0.636777169525632
Energy: 0.7355052920217126
Energy: 0.6806991974106832
Energy: 0.636777169525632
Energy: 0.735505292186839
Energy: 0.6806991974072771
Energy: 0.6367771695137268
Energy: 0.7355052921119393
Energy: 0.6527722098161635
Energy: 0.682243700130108
Energy: 0.661296599830453
Energy: 0.6527722098297718
Energy: 0.6822437001250146
Energy: 0.6612965998406554
Energy: 0.6527722098331777
Energy: 0.6822437001147968
Energy: 0.6612965998168291
Energy: 0.6527722098246628
Energy: 0.7198394406116926
Energy: 0.682062251448047
Energy: 0.6801336861031569
Energy: 0.7198394405912569
Energy: 0.6820703673635492
Energy: 0.6800817049282039
Energy: 0.7198394405997718
Energy: 0.6820622514531559
Energy: 0.6801336861082659
Energy: 0.719839440587851
Energy: 0.6672841017981487
Energy: 0.6393924634814054
Energy: 0.6819867899495123
Energy: 0.6672841018083665
Energy: 0.6393924634882174
Energy: 0.6819867899444035
Energy: 0.6672841018100696
Energy: 0.6393924634950293
Energy: 0.6819867899222805
Energy: 0.6672841018151784
Energy: 0.6947002397450176
Energy: 0.7246800198775409
Energy: 0.694797808287584
Energy: 0.6947002397262848
Energy: 0.7246800198911647
Energy: 0.6947978082943959
Energy: 0.6947002397382056
Energy: 0.7246800198707289
Energy: 0.6947978082739602
Energy: 0.6947002397518139
Energy: 0.6904419428603524
Energy: 0.6426823235602882
Energy: 0.6692844694838336
Energy: 0.6904419428501346
Energy: 0.6424328805541735
Energy: 0.669284469534892
Energy: 0.6904419428348078
Energy: 0.6426823235858173
Energy: 0.669284469562124
Energy: 0.6904419428382138
Energy: 0.6562481785197577
Energy: 0.658266575714166
Energy: 0.7039399169246778
Energy: 0.656248178528257
Energy: 0.6582665757209624
Energy: 0.7039399169417075
Energy: 0.6562481785112428
Energy: 0.6582665757209624
Energy: 0.7039399169348957
Energy: 0.6562481785112428
Energy: 0.6973968931577825
Energy: 0.6691776717970996
Energy: 0.6539221026958266
Energy: 0.6973968931492676
Energy: 0.6691776717936937
Energy: 0.653866281758502
Energy: 0.6973968931492676
Energy: 0.6691776717834759
Energy: 0.6539221027026386
Energy: 0.6973968931526735
Energy: 0.636887094485585
Energy: 0.665639492153316
Energy: 0.7308711866630434
Energy: 0.6368870944668523
Energy: 0.6656394921362863
Energy: 0.7308711866579345
Energy: 0.6368870944583374
Energy: 0.6656394921379891
Energy: 0.7308711866477321
Energy: 0.636887094488991
Energy: 0.6547840889284695
Energy: 0.7314954280232301
Energy: 0.645964686983705
Energy: 0.6549714587953831
Energy: 0.7314954280130123
Energy: 0.6459646869854079
Energy: 0.6547840889386719
Energy: 0.7314954280164181
Energy: 0.6459646870007192
Energy: 0.654971458764745

minimum gb energy = 0.634004506298065 eV
minimum distance =  2.50674975295468 Angstroms
sigma value = 437


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

Energy: 0.6056808106451889
Energy: 0.604655900634263
Energy: 0.6046251870428971
Energy: 0.6056808106501522
Energy: 0.6046559006429489
Energy: 0.6046251870497077
Energy: 0.6056808106451889
Energy: 0.6046559006373651
Energy: 0.6046251870360724
Energy: 0.6056808106470501
Energy: 0.6514742134223762
Energy: 0.5915520498933446
Energy: 0.6016478781639589
Energy: 0.6514742134168063
Energy: 0.5915520498927243
Energy: 0.6016478781720103
Energy: 0.651474213423617
Energy: 0.5915520498933446
Energy: 0.6016478781639589
Energy: 0.6514742134137043
Energy: 0.5846402947259282
Energy: 0.5847225638250375
Energy: 0.6660263187299572
Energy: 0.5846402947184831
Energy: 0.5847225638293805
Energy: 0.6660262625061172
Energy: 0.5846402947302711
Energy: 0.5847225638268987
Energy: 0.6660261507889716
Energy: 0.5846402947215852
Energy: 0.6733429318366551
Energy: 0.6741859386839312
Energy: 0.624528319199117
Energy: 0.673342931840998
Energy: 0.6741859386907558
Energy: 0.6245283191997375
Energy: 0.6733429318378958
Energy: 0.6741859386814494
Energy: 0.624528319199117
Energy: 0.673342931840998
Energy: 0.6250533691045028
Energy: 0.5984173471275327
Energy: 0.656530932119945
Energy: 0.6250533691026415
Energy: 0.5984173471244306
Energy: 0.65653093207715
Energy: 0.6250533691032618
Energy: 0.5984173471275327
Energy: 0.6565309320752887
Energy: 0.6250533691045028
Energy: 0.6249969758957831
Energy: 0.6271898103829852
Energy: 0.5913533956442967
Energy: 0.6249969759032282
Energy: 0.6271898103836057
Energy: 0.5913533956449172
Energy: 0.6249969758964036
Energy: 0.6271898103848464
Energy: 0.5913533956436763
Energy: 0.6249969759032282
Energy: 0.6237250023659707
Energy: 0.6066923472526893
Energy: 0.5847157023598198
Energy: 0.6237250023504602
Energy: 0.6066923472576526
Energy: 0.5847157023610606
Energy: 0.6237250023641095
Energy: 0.6066923472508281
Energy: 0.5847157023598198
Energy: 0.6237250023659707
Energy: 0.6135684962068267
Energy: 0.7113769723223884
Energy: 0.6239715166360339
Energy: 0.6135684962099288
Energy: 0.7113769723242497
Energy: 0.6239715166385155
Energy: 0.6135684962043451
Energy: 0.7113769723236293
Energy: 0.6239715166372747
Energy: 0.6135684962093084
Energy: 0.687045616026611
Energy: 0.5990880521830259
Energy: 0.5986452385442899
Energy: 0.6870456160272315
Energy: 0.5990880521867484
Energy: 0.5986452385436694
Energy: 0.6870456160439828
Energy: 0.5990880521824054
Energy: 0.5986452385418083
Energy: 0.6870456160408807
Energy: 0.6704698832894505
Energy: 0.6159338193556424
Energy: 0.66814534580285
Energy: 0.6704698832826399
Energy: 0.6159338193544015
Energy: 0.6681453457879598
Energy: 0.6704698832838667
Energy: 0.6159338193537812
Energy: 0.6681453457960254
Energy: 0.6704698832820196
Energy: 0.6523388899276604
Energy: 0.5898478672650521
Energy: 0.6148806080742296
Energy: 0.6523388899270399
Energy: 0.5898478672625703
Energy: 0.6148806080754705
Energy: 0.6523388899301421
Energy: 0.589847867266293
Energy: 0.6148806080754705
Energy: 0.6523388899245582
Energy: 0.6166010562767841
Energy: 0.5935947650134678
Energy: 0.6738630373873905
Energy: 0.6166010562482586
Energy: 0.5935947650202783
Energy: 0.6738630373886313
Energy: 0.6166010562637692
Energy: 0.5935947650134678
Energy: 0.673863037391113
Energy: 0.616601056273682
Energy: 0.5988311259838076
Energy: 0.7640610707787167
Energy: 0.5987092067280239
Energy: 0.5988311259745154
Energy: 0.764061070776235
Energy: 0.5987092067280239
Energy: 0.598831125984428
Energy: 0.7640610707805779
Energy: 0.5987092067280239
Energy: 0.5988311259732745
Energy: 0.6008299456566937
Energy: 0.5922871065749195
Energy: 0.6251359762715598
Energy: 0.600829945654212
Energy: 0.5922871065730582
Energy: 0.6251359762684576
Energy: 0.6008299456573142
Energy: 0.5922871065718174
Energy: 0.6251359762690781
Energy: 0.6008299456566937

minimum gb energy = 0.5846402947184831 eV
minimum distance =  2.50676015359942 Angstroms
sigma value = 33