Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.680044695734978
cohesive_energy=4.26217454226904
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.019478247968318655
Energy: 1.6989395535207006
Energy: 1.3501050182427983
Energy: 1.6989649018437893
Energy: 0.019478247968318655
Energy: 1.6989395535214142
Energy: 1.3501050182403824
Energy: 0.7356741944065993
Energy: 0.02015312218725478
Energy: 0.2870508204964058
Energy: 0.0202379133013096
Energy: 0.7356741944065993
Energy: 0.02015312218725478
Energy: 0.2870508204964058
Energy: 0.019478247968318655
Energy: 1.6989395535209473
Energy: 1.3501050182427983
Energy: 1.6989649018430757
Energy: 0.019478247968318655
Energy: 1.698939553522375
Energy: 1.3501050182403824
Energy: 0.7356741944065993
Energy: 0.02015312218725478
Energy: 0.2870508204964058
Energy: 0.0202379133013096
Energy: 0.7356741944065993
Energy: 0.02015312218725478
Energy: 0.2870508204964058
Energy: 0.019478247968318655
Energy: 1.6989395535207006
Energy: 1.3501050182403824
Energy: 1.6989649018433226
Energy: 0.019478247968318655
Energy: 1.6989395535221283
Energy: 1.3501050182403824
Energy: 0.7356741944065993
Energy: 0.02015312218967075
Energy: 0.2870508204964058
Energy: 0.0202379133013096
Energy: 0.7356741944065993
Energy: 0.02015312218725478
Energy: 0.2870508204964058

minimum gb energy = 0.019478247968318655 eV
minimum distance =  2.58140116867116 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.428962763193009
Energy: 1.4375688338186392
Energy: 1.3137907838970007
Energy: 1.4377817735520473
Energy: 1.4289627631959607
Energy: 1.4375688338186392
Energy: 1.3137907838970007
Energy: 1.294198690643512
Energy: 1.3718149864937497
Energy: 1.4518332888639596
Energy: 1.3803528479451967
Energy: 1.294198690643512
Energy: 1.3718149864937497
Energy: 1.4518332888610082
Energy: 1.2904748368725905
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Energy: 1.3648079163751408
Energy: 1.38171089054218
Energy: 1.2904748368666874
Energy: 1.3143874875936419
Energy: 1.3648079163780924
Energy: 1.4697085716771374
Energy: 1.3705955000916663
Energy: 1.3292035411286673
Energy: 1.3661148767114821
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Energy: 1.370595500088715
Energy: 1.329203541131619
Energy: 1.3816326541042703
Energy: 1.2931758580788295
Energy: 1.3340299856790265
Energy: 1.3161187541593777
Energy: 1.3816326541042703
Energy: 1.293175858075878
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Energy: 1.4096541210814
Energy: 1.365893681677807
Energy: 1.335825989631389
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Energy: 1.335825989631389
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Energy: 1.3038475877954452
Energy: 1.3146211604008273
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Energy: 1.3038475877954452
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Energy: 1.3275467393708544
Energy: 1.3849015996185774
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Energy: 1.3215806265406371
Energy: 1.4309944714131035
Energy: 1.3616107412946497
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Energy: 1.3315176972043214
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Energy: 1.4076806760056493
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Energy: 1.3750431621007047
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Energy: 1.4471674496772249
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Energy: 1.4043695105699938
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Energy: 1.413906041443641
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Energy: 1.2974183293702837
Energy: 1.3908209434574998
Energy: 1.3666465087059207
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Energy: 1.3835177981063023
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Energy: 1.4820993424609716
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Energy: 1.455762586483095
Energy: 1.3854201829524841
Energy: 1.3177127545496443
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Energy: 1.317712754543795
Energy: 1.4374018410159346
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Energy: 1.3663794452470948
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Energy: 1.4281167089257902
Energy: 1.3106852776614337
Energy: 1.3525367392837615
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Energy: 1.299507103135087
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Energy: 1.3965409987527153
Energy: 1.3191410512403592
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Energy: 1.397553386606875
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Energy: 1.3672463102894712
Energy: 1.343126144672871
Energy: 1.393215916486687
Energy: 1.3416869126815067
Energy: 1.367246310292369
Energy: 1.3649267435122683
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Energy: 1.4340226071138393
Energy: 1.3649267435122683
Energy: 1.3839438151189112
Energy: 1.410659722949688
Energy: 1.395209022989898
Energy: 1.3427225647851766
Energy: 1.4537539410698896
Energy: 1.349362878581656
Energy: 1.395209022989898
Energy: 1.3427225647822252
Energy: 1.453753941066938
Energy: 1.4806109409921144
Energy: 1.3456027195741105
Energy: 1.3835280880272416
Energy: 1.3834771542928705
Energy: 1.4806109409921144
Energy: 1.3456027195711588
Energy: 1.3835280880272416
Energy: 1.3760147702703678
Energy: 1.2931337467398765
Energy: 1.2999626535763493
Energy: 1.359661253242648
Energy: 1.376014770261513
Energy: 1.2931337467398765
Energy: 1.2999626535822524
Energy: 1.3632386300166541
Energy: 1.3525952632719187
Energy: 1.491980976186109
Energy: 1.3044517533896445
Energy: 1.3632386300137023
Energy: 1.3525952632660152
Energy: 1.491980976186109
Energy: 1.395981294897402
Energy: 1.369853433022587
Energy: 1.4076967116212358
Energy: 1.3118154034297829
Energy: 1.3959812949003536
Energy: 1.3698534330196357
Energy: 1.4076967116212358
Energy: 1.3605765092146953
Energy: 1.292234107268171
Energy: 1.399452241427179
Energy: 1.3677508515952927
Energy: 1.3605765092175932
Energy: 1.292234107277026
Energy: 1.3994522414360338

minimum gb energy = 1.2602021928786955 eV
minimum distance =  2.30740908361874 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.47497254660583
Energy: 1.4531741383500207
Energy: 1.3851205107319877
Energy: 1.4402570239995807
Energy: 1.47497254660583
Energy: 1.4531741383500207
Energy: 1.3741513485645722
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Energy: 1.4146981903475024
Energy: 1.44025702399623
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Energy: 1.3152937992038645
Energy: 1.4161351199464425
Energy: 1.3876101662297755
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Energy: 1.3742948852093924
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Energy: 1.3711353808443387
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Energy: 1.4404577561245755
Energy: 1.3874240383371204
Energy: 1.3069248921890886
Energy: 1.5141482036644158
Energy: 1.3330277105241726
Energy: 1.3874240383371204
Energy: 1.3069248921890886
Energy: 1.5141482036644158
Energy: 1.36998861679096
Energy: 1.3708822961338323
Energy: 1.414783078558746
Energy: 1.3960519228285355
Energy: 1.3699886167943107
Energy: 1.3708822961338323
Energy: 1.3938157649867498
Energy: 1.416260138612547
Energy: 1.4031247652102
Energy: 1.4137422893436857
Energy: 1.3953374205509894
Energy: 1.416260138612547
Energy: 1.4031247652102
Energy: 1.4137422893470362
Energy: 1.452804763051037
Energy: 1.376490897367984
Energy: 1.4839445607022521
Energy: 1.3952702587097532
Energy: 1.4528047630476864
Energy: 1.376490897367984
Energy: 1.4772977785260353
Energy: 1.3767132733720528
Energy: 1.378093448606271
Energy: 1.4658042572519088
Energy: 1.3914642486913413
Energy: 1.376713273375403
Energy: 1.3780934486029208
Energy: 1.4673250369468933
Energy: 1.3486117739601324
Energy: 1.3728934619520488
Energy: 1.4963607490916717
Energy: 1.4229498437264485
Energy: 1.3486117739634829
Energy: 1.3728934619553994
Energy: 1.4950905592403891
Energy: 1.379804742342745
Energy: 1.4531741383500207
Energy: 1.4146981903475024
Energy: 1.44025702399623
Energy: 1.3798047423460955
Energy: 1.4531741383500207
Energy: 1.3909202148531004
Energy: 1.4069187686901898
Energy: 1.3809429199302807
Energy: 1.4652689870673632
Energy: 1.3947856574185666
Energy: 1.4069187686901898
Energy: 1.3809429199202299
Energy: 1.4652689870673632

minimum gb energy = 1.2991375716831883 eV
minimum distance =  2.28862615175051 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.6647278734586894
Energy: 1.4537006771058316
Energy: 1.3984248361206073
Energy: 1.492256395270393
Energy: 1.66472787345985
Energy: 1.4537006771035104
Energy: 1.4658635126259814
Energy: 1.5156285535081895
Energy: 1.37734197953836
Energy: 1.4180535995293013
Energy: 1.4543791885143367
Energy: 1.5156285535108978
Energy: 1.3773419795391335
Energy: 1.418053599530462
Energy: 1.4021842203576045
Energy: 1.4215225061763355
Energy: 1.4881189510161423
Energy: 1.3937332113305871
Energy: 1.4021842203545096
Energy: 1.421522506177109
Energy: 1.4806309919167786
Energy: 1.4410119727154551
Energy: 1.3939513788913387
Energy: 1.456611656276359
Energy: 1.3375861307159524
Energy: 1.441011972716229
Energy: 1.3939513788909519
Energy: 1.4566116562786802
Energy: 1.4338021520956636
Energy: 1.4374886668024596
Energy: 1.4339415747194006
Energy: 1.398256711295623
Energy: 1.4338021520933424
Energy: 1.437488666801299
Energy: 1.4339415747221085
Energy: 1.4637181695101191
Energy: 1.3045737128909556
Energy: 1.4690193339500384
Energy: 1.3553196108207126
Energy: 1.4637181695077979
Energy: 1.304573712890182
Energy: 1.4690193339523592
Energy: 1.5211384814275448
Energy: 1.4111107406262473
Energy: 1.4905456224834424
Energy: 1.4026442221276936
Energy: 1.5211384814271578
Energy: 1.4111107406239263
Energy: 1.490545622484216
Energy: 1.4091451028180748
Energy: 1.4658783136792126
Energy: 1.6033071526495606
Energy: 1.4095200661214955
Energy: 1.4091451028165274
Energy: 1.4658783136773137
Energy: 1.6033071526510727
Energy: 1.5066307917695854
Energy: 1.4200678903545334
Energy: 1.5895626349826637
Energy: 1.4413536024425697
Energy: 1.5066307917695854
Energy: 1.4200678903541466
Energy: 1.5895626349826637
Energy: 1.4065940552327072
Energy: 1.3992549756767385
Energy: 1.4640167194225695
Energy: 1.4071785725320487
Energy: 1.4065940552311598
Energy: 1.3992549756778991
Energy: 1.464016719419088
Energy: 1.5235359050226984
Energy: 1.386300163130598
Energy: 1.4902775513215343
Energy: 1.3358144596018504
Energy: 1.5235359050199906
Energy: 1.38630016312789
Energy: 1.4902775513207605
Energy: 1.4284558296137513
Energy: 1.4185126107709911
Energy: 1.4486458742685515
Energy: 1.573805494626423
Energy: 1.4284558296149121
Energy: 1.4185126107736994
Energy: 1.4486458742662303
Energy: 1.4597151500044823
Energy: 1.4266420546385765
Energy: 1.5884253221741436
Energy: 1.3993341420737662
Energy: 1.4597151500079644
Energy: 1.4266420546408978
Energy: 1.5884253221729832
Energy: 1.4552515075643881
Energy: 1.448381753389891
Energy: 1.4513784490073733
Energy: 1.4291262056183875
Energy: 1.4552515075643881
Energy: 1.448381753389891
Energy: 1.4513784490077604
Energy: 1.5072804883044684
Energy: 1.3739107153270933
Energy: 1.4816649990098232
Energy: 1.4110778756260982
Energy: 1.5072804883067894
Energy: 1.3739107153259325
Energy: 1.4816649990102102
Energy: 1.4302904467897675
Energy: 1.5738908115793449
Energy: 1.4264748255686897
Energy: 1.4479264349801293
Energy: 1.4302904467905408
Energy: 1.5738908115781844
Energy: 1.426474825564821
Energy: 1.5397482257423074
Energy: 1.356656842620206
Energy: 1.5126459705471207
Energy: 1.4170007637735151
Energy: 1.539748225743468
Energy: 1.356656842622914
Energy: 1.5126459705467339
Energy: 1.4107268269046696
Energy: 1.4206168080465715
Energy: 1.5106431292762457
Energy: 1.4458220511246773
Energy: 1.4107268269050566
Energy: 1.420616808047345
Energy: 1.5106431292735374
Energy: 1.4472586367815752
Energy: 1.440881290822595
Energy: 1.4686084082394426
Energy: 1.4163820613773637
Energy: 1.4472586367815752
Energy: 1.4408812908202737
Energy: 1.468608408238669
Energy: 1.4100799217031763
Energy: 1.3961668052501814
Energy: 1.4928257862525427
Energy: 1.3900297610473658
Energy: 1.410079921704724
Energy: 1.3961668052497944
Energy: 1.492825786248674
Energy: 1.4431492341752765
Energy: 1.4342412436981213
Energy: 1.4275022582371315
Energy: 1.3961916239134613
Energy: 1.4431492341752765
Energy: 1.4342412436969607
Energy: 1.4275022582379053
Energy: 1.4749595932624349
Energy: 1.3554260034168835
Energy: 1.4715535144348852
Energy: 1.3370579423896163
Energy: 1.474959593261661
Energy: 1.3554260034188177
Energy: 1.471553514437593
Energy: 1.4804089015309139
Energy: 1.402852316875602
Energy: 1.372685041311138
Energy: 1.4194757247338965
Energy: 1.480408901529753
Energy: 1.402852316876376
Energy: 1.3726850413103644
Energy: 1.433751785683808
Energy: 1.42386568810291
Energy: 1.5033286012338702
Energy: 1.3992176341245595
Energy: 1.4337517856826472
Energy: 1.4238656881005884
Energy: 1.503328601234644
Energy: 1.3946427151476768
Energy: 1.4116651220605567
Energy: 1.4143550553832132
Energy: 1.4271758356782394
Energy: 1.3946427151492244
Energy: 1.411665122058622
Energy: 1.4665714350179746
Energy: 1.5058758927765743
Energy: 1.427835849900426
Energy: 1.3897090635545877
Energy: 1.3974275072937692
Energy: 1.505875892777735
Energy: 1.427835849900039
Energy: 1.3897090635557483
Energy: 1.6033105266480427
Energy: 1.4851048448444373
Energy: 1.4693550023309718
Energy: 1.493180963370327
Energy: 1.603310526649977
Energy: 1.485104844845598
Energy: 1.469355002330198
Energy: 1.5564092621805334
Energy: 1.410731821434883
Energy: 1.478347957447661
Energy: 1.4147741794319448
Energy: 1.5564092621801464
Energy: 1.410731821434109
Energy: 1.478347957447661
Energy: 1.4187999812351626
Energy: 1.447957938076395
Energy: 1.4262958816282207
Energy: 1.4269789789923624
Energy: 1.4187999812359366
Energy: 1.447957938076782
Energy: 1.4262958816274471
Energy: 1.4712387778809537
Energy: 1.3701026371653107
Energy: 1.5055842899012313
Energy: 1.3502227005595036
Energy: 1.4712387778828877
Energy: 1.3701026371637985
Energy: 1.5055842898992968
Energy: 1.4189120499137633
Energy: 1.4518231097414869
Energy: 1.3878708086550775
Energy: 1.4385760627885875
Energy: 1.418912049910317
Energy: 1.4518231097395524
Energy: 1.387870808650435
Energy: 1.4182192937283873
Energy: 1.3470185049738992
Energy: 1.4923050470762471
Energy: 1.354832791464075
Energy: 1.4182192937299347
Energy: 1.3470185049735124
Energy: 1.4923050470785681
Energy: 1.469821280832731
Energy: 1.3980426603068221
Energy: 1.506974217724157
Energy: 1.4100910850327377
Energy: 1.469821280832344
Energy: 1.3980426603087566
Energy: 1.5069742177210972
Energy: 1.409415537721295
Energy: 1.4483425109486696
Energy: 1.5747229674285155
Energy: 1.3573125182237211
Energy: 1.409415537720908
Energy: 1.4483425109498302
Energy: 1.5747229674277414
Energy: 1.504812124848455
Energy: 1.4222464288978245
Energy: 1.6103759411788718
Energy: 1.412036767641208
Energy: 1.504812124848455
Energy: 1.422246428898211
Energy: 1.610375941175777
Energy: 1.4093195284367466
Energy: 1.3991388798735105
Energy: 1.4817836771077584
Energy: 1.391698554289849
Energy: 1.409319528439068
Energy: 1.399138879870029
Energy: 1.4817836771073716

minimum gb energy = 1.304573712890182 eV
minimum distance =  2.2368627829012 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.478629248614135
Energy: 1.4962606016669764
Energy: 1.4770070482717026
Energy: 1.496192690770496
Energy: 1.478629248616418
Energy: 1.496260601670629
Energy: 1.4242907918636527
Energy: 1.4781944065452428
Energy: 1.4401229784648304
Energy: 1.1680245583803404
Energy: 1.4402099584639327
Energy: 1.4781944065429597
Energy: 1.4401229784689396
Energy: 1.1680245583757747
Energy: 1.478931426227167
Energy: 1.405201887198152
Energy: 1.4491006735778775
Energy: 1.455144510701139
Energy: 1.4789314262317323
Energy: 1.4052018872027174
Energy: 1.4491006735760512
Energy: 1.4873462837652467
Energy: 1.439998111563012
Energy: 1.1680209515523645
Energy: 1.3240810859503567
Energy: 1.4873462837625073
Energy: 1.4399981115602725
Energy: 1.1680209515528213
Energy: 1.4860102476588577
Energy: 1.4632192329431082
Energy: 1.555531272854189
Energy: 1.4558059517402886
Energy: 1.486010247656575
Energy: 1.4632192329431082
Energy: 1.5555312728569284
Energy: 1.4872396857022323
Energy: 1.3290477611200526
Energy: 1.541862856477238
Energy: 1.3589365979519947
Energy: 1.487239685700406
Energy: 1.3290477611182263
Energy: 1.5418628564804338
Energy: 1.4476000582246553
Energy: 1.4630089819522192
Energy: 1.4417118278291745
Energy: 1.4547946812760537
Energy: 1.4476000582296777
Energy: 1.4630089819526757
Energy: 1.3958941736570853
Energy: 1.4879432847128957
Energy: 1.2816312510971175
Energy: 1.5464052036140319
Energy: 1.2816728309464789
Energy: 1.4879432847165484
Energy: 1.2816312510948344
Energy: 1.5464052036172282
Energy: 1.4486179111902764
Energy: 1.4549626717683626
Energy: 1.4957601491517063
Energy: 1.46306505475064
Energy: 1.4486179111866238
Energy: 1.4549626717697324
Energy: 1.495760149153533
Energy: 1.4873057365140208
Energy: 1.358874027952051
Energy: 1.5419954307824448
Energy: 1.3291864853863293
Energy: 1.487305736513564
Energy: 1.3588740279511378
Energy: 1.5419954307838146
Energy: 1.4865069220669165
Energy: 1.4556965471322518
Energy: 1.3808174243506042
Energy: 1.4632206729536765
Energy: 1.4865069220623506
Energy: 1.4556965471322518
Energy: 1.319740958411383
Energy: 1.487364039549829
Energy: 1.358944698611088
Energy: 1.1680767874659388
Energy: 1.440212290385008
Energy: 1.4873640395511987
Energy: 1.3589446986129143
Energy: 1.168076787470048
Energy: 1.478592591014776
Energy: 1.4555029596757045
Energy: 1.3500943961342013
Energy: 1.4054095738510504
Energy: 1.478592591017972
Energy: 1.4555029596693123
Energy: 1.3293831724792364
Energy: 1.4782171363936802
Energy: 1.440229032994251
Energy: 1.1681730788061107
Energy: 1.439730925411152
Energy: 1.4782171363977896
Energy: 1.4402290329901422
Energy: 1.168173078807024
Energy: 1.4786292486145913
Energy: 1.4962606016683462
Energy: 1.4816286666957879
Energy: 1.496192690770496
Energy: 1.478629248616418
Energy: 1.496260601671542
Energy: 1.4242907918650225
Energy: 1.4781944065466126
Energy: 1.440122978463004
Energy: 1.1680245583785143
Energy: 1.4402099584643895
Energy: 1.4781944065434163
Energy: 1.4401229784671135
Energy: 1.1680245583702957
Energy: 1.4789314262262534
Energy: 1.4052018871990652
Energy: 1.4491006735787908
Energy: 1.4551445107002259
Energy: 1.478931426230819
Energy: 1.405201887203631
Energy: 1.449100673576508
Energy: 1.4873462837629638
Energy: 1.4399981115634686
Energy: 1.168020951554606
Energy: 1.32408108595127
Energy: 1.4873462837615943
Energy: 1.4399981115602725
Energy: 1.168020951553278
Energy: 1.486010247657488
Energy: 1.4632192329440212
Energy: 1.5555312728537325
Energy: 1.4558059517402886
Energy: 1.4860102476552053
Energy: 1.463219232943565
Energy: 1.5555312728564719
Energy: 1.4872396857031454
Energy: 1.3290477611173128
Energy: 1.5418628564767813
Energy: 1.3589365979483423
Energy: 1.487239685700406
Energy: 1.3290477611173128
Energy: 1.5418628564799775
Energy: 1.4476000582269384
Energy: 1.4630089819540455
Energy: 1.4510617092460145
Energy: 1.4547946812760537
Energy: 1.4476000582333306
Energy: 1.463008981953589
Energy: 1.3958941736575419
Energy: 1.4879432847142655
Energy: 1.281631251096661
Energy: 1.546405203615402
Energy: 1.2816728309469354
Energy: 1.487943284717918
Energy: 1.281631251094378
Energy: 1.5464052036176847
Energy: 1.4486179111875368
Energy: 1.4549626717688189
Energy: 1.4957601491517063
Energy: 1.4630650547520097
Energy: 1.4486179111870803
Energy: 1.4549626717697324
Energy: 1.4957601491526198
Energy: 1.4873057365140208
Energy: 1.3588740279529639
Energy: 1.5419954307815318
Energy: 1.3291864853849595
Energy: 1.487305736513564
Energy: 1.3588740279538358
Energy: 1.541995430783358
Energy: 1.486506922064177
Energy: 1.4556965471322518
Energy: 1.3175928655374123
Energy: 1.4632206729541333
Energy: 1.486506922060068
Energy: 1.4556965471317953
Energy: 1.3197409584095567
Energy: 1.4873640395511987
Energy: 1.3589446986101748
Energy: 1.1680767874673086
Energy: 1.4402122903845516
Energy: 1.4873640395516552
Energy: 1.358944698607892
Energy: 1.168076787470048
Energy: 1.4785925910152327
Energy: 1.455502959675248
Energy: 1.3709183028512457
Energy: 1.4054095738515067
Energy: 1.478592591017972
Energy: 1.4555029596693123
Energy: 1.3293831724801495
Energy: 1.4782171363932237
Energy: 1.4402290329951646
Energy: 1.1681730788056544
Energy: 1.4397309254106956
Energy: 1.4782171363968766
Energy: 1.4402290329919682
Energy: 1.168173078807024
Energy: 1.4786292486145913
Energy: 1.4962606016665196
Energy: 1.4770070482721591
Energy: 1.496192690770496
Energy: 1.478629248616418
Energy: 1.4962606016710855
Energy: 1.4242907918650225
Energy: 1.4781944065456993
Energy: 1.4401229784643736
Energy: 1.1680245583798838
Energy: 1.4402099584639327
Energy: 1.478194406542503
Energy: 1.44012297846757
Energy: 1.1680245583739484

minimum gb energy = 1.1680209515523645 eV
minimum distance =  2.30855947345268 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.4812019629571938
Energy: 1.5020893951366439
Energy: 1.3198126497706688
Energy: 1.5024794265270933
Energy: 1.4812019629588564
Energy: 1.5020893951349812
Energy: 1.3198126497734401
Energy: 1.4420702181585232
Energy: 1.3146689720411324
Energy: 1.4481276372833343
Energy: 1.3602132359588124
Energy: 1.4420702181546687
Energy: 1.3146689720422406
Energy: 1.4481276372822258
Energy: 1.481456691985223
Energy: 1.3830479263105093
Energy: 1.2756882302270502
Energy: 1.4244752864545085
Energy: 1.481456691985223
Energy: 1.3830479263127262
Energy: 1.2756882302264962
Energy: 1.468935644204182
Energy: 1.3148395543586582
Energy: 1.3701622643874625
Energy: 1.3226863254580106
Energy: 1.468935644204182
Energy: 1.3148395543592122
Energy: 1.3701622643869085
Energy: 1.4364191587623785
Energy: 1.3627467620002394
Energy: 1.2986059932461829
Energy: 1.3952299152773417
Energy: 1.4364191587623785
Energy: 1.3627467620007934
Energy: 1.2986059932461829
Energy: 1.4871379504569806
Energy: 1.420267997164381
Energy: 1.5360563696943346
Energy: 1.323940342569901
Energy: 1.4871379504569806
Energy: 1.4202679971638268
Energy: 1.5360563696926717
Energy: 1.516532579733355
Energy: 1.3618296350251624
Energy: 1.2985293456553375
Energy: 1.4241359448987663
Energy: 1.516532579735572
Energy: 1.3618296350234997
Energy: 1.2985293456564464
Energy: 1.4988735110351286
Energy: 1.4279990928017954
Energy: 1.57117536488891
Energy: 1.32340215323757
Energy: 1.498873511036237
Energy: 1.427999092800158
Energy: 1.5711753648878017
Energy: 1.516215650833148
Energy: 1.3252722828269348
Energy: 1.49407245320657
Energy: 1.4841194155699065
Energy: 1.5162156508337024
Energy: 1.3252722828274888
Energy: 1.49407245320657
Energy: 1.4764871737994534
Energy: 1.3586084396329436
Energy: 1.467788540632394
Energy: 1.3235782691538678
Energy: 1.4764871737983445
Energy: 1.3586084396323894
Energy: 1.4677885406329485
Energy: 1.5083378043949474
Energy: 1.345375354535869
Energy: 1.4740779705533276
Energy: 1.3179181237994482
Energy: 1.5083378043955018
Energy: 1.345375354536978
Energy: 1.4740779705527736
Energy: 1.307249787794759
Energy: 1.3324093665332484
Energy: 1.5136469808454465
Energy: 1.247215706928987
Energy: 1.3072497877925422
Energy: 1.3324093665338026
Energy: 1.5136469808448925
Energy: 1.5079179899296038
Energy: 1.3165150647132164
Energy: 1.3524287988196213
Energy: 1.393838721394019
Energy: 1.5079179899307127
Energy: 1.3165150647137709
Energy: 1.4130650321224327
Energy: 1.351980756931635
Energy: 1.3395689387841248
Energy: 1.4289257595941667
Energy: 1.3591165728378098
Energy: 1.3519807569299724
Energy: 1.3395689387852332
Energy: 1.4289257595941667
Energy: 1.5009226938626739
Energy: 1.3822263237418542
Energy: 1.4299604785281723
Energy: 1.3522702000419038
Energy: 1.5009226938621194
Energy: 1.3822263237418542
Energy: 1.4299604785281723
Energy: 1.351745714035535
Energy: 1.4013020363227189
Energy: 1.4850301474434673
Energy: 1.4381533390064019
Energy: 1.3517457140366436
Energy: 1.4013020363216107
Energy: 1.4850301474434673
Energy: 1.519256947057583
Energy: 1.381791600010547
Energy: 1.4690693503279446
Energy: 1.3521591920807792
Energy: 1.5192569470559203
Energy: 1.381791600010547
Energy: 1.4668935939423484
Energy: 1.3517803889985263
Energy: 1.4073858588566288
Energy: 1.4322292104902188
Energy: 1.474123635681316
Energy: 1.3517803889990805
Energy: 1.4073858588571828
Energy: 1.432229210488556
Energy: 1.4814716620622563
Energy: 1.3645168584529748
Energy: 1.5440657563075633
Energy: 1.3465072459717613
Energy: 1.4814716620628108
Energy: 1.3645168584529748
Energy: 1.544065756307009
Energy: 1.3506555776609184
Energy: 1.4368356488872835
Energy: 1.4033545989819858
Energy: 1.438000180452679
Energy: 1.350655577658701
Energy: 1.4368356488845122
Energy: 1.40335459898254
Energy: 1.4804718078727386
Energy: 1.3464507041892066
Energy: 1.543985592441019
Energy: 1.364603729487015
Energy: 1.480471807873847
Energy: 1.3464507041892066
Energy: 1.543985592441019
Energy: 1.3517893731605326
Energy: 1.473247527669475
Energy: 1.4322440702359955
Energy: 1.407607819147316
Energy: 1.3517893731616415
Energy: 1.4732475276700296
Energy: 1.4322440702326704
Energy: 1.5189422666676777
Energy: 1.3522004900589395
Energy: 1.4689930283359296
Energy: 1.3818143854337657
Energy: 1.518942266666015
Energy: 1.3522004900589395
Energy: 1.468993028334821
Energy: 1.3517420923487935
Energy: 1.4381152069161953
Energy: 1.4378377909794517
Energy: 1.4017035505904127
Energy: 1.3517420923493475
Energy: 1.4381152069134238
Energy: 1.437837790977789
Energy: 1.501238593214652
Energy: 1.3526803442307012
Energy: 1.3482669910097067
Energy: 1.3822956730196263
Energy: 1.5012385932152064
Energy: 1.3526803442284838
Energy: 1.3482669910130323

minimum gb energy = 1.247215706928987 eV
minimum distance =  2.32088135819122 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.397035060186874
Energy: 1.390202824981194
Energy: 1.2078410008074854
Energy: 1.4036800435812433
Energy: 1.3970350601837807
Energy: 1.390202824981194
Energy: 1.20478129027879
Energy: 1.3171503202669577
Energy: 1.319638564128867
Energy: 1.104861238547715
Energy: 1.3729184459972106
Energy: 1.3171503202700512
Energy: 1.3196385641319042
Energy: 1.104861238547715
Energy: 1.3413440257223557
Energy: 1.3318492675892764
Energy: 1.1703513395097225
Energy: 1.289212556494073
Energy: 1.3413440257192621
Energy: 1.3318492675830897
Energy: 1.1703513395097225
Energy: 1.211175866261749
Energy: 1.3213135156996259
Energy: 1.3426032306903684
Energy: 1.321777216445725
Energy: 1.2111758662679355
Energy: 1.3213135156934392
Energy: 1.342603230696555
Energy: 1.3168791156176576
Energy: 1.2084190898539056
Energy: 1.3219310235666593
Energy: 1.22890215679741
Energy: 1.316879115611471
Energy: 1.2084190898600924
Energy: 1.3219310235728459
Energy: 1.1906444657272124
Energy: 1.2940613223228528
Energy: 1.2831580647289267
Energy: 1.2569558934876788
Energy: 1.1906444657272124
Energy: 1.2940613223228528
Energy: 1.2831580656039479
Energy: 1.2509576501976507
Energy: 1.2081227700258013
Energy: 1.2091005355285827
Energy: 1.1879592819453617
Energy: 1.2509576501976507
Energy: 1.2081227700258013
Energy: 1.1972314987581842
Energy: 1.1870629728591424
Energy: 1.252908257152157
Energy: 1.3001024911980874
Energy: 1.2312132867369925
Energy: 1.1870629728499187
Energy: 1.252908257152157
Energy: 1.3001024911950503
Energy: 1.2553842143865175
Energy: 1.2214937464781714
Energy: 1.162443217738653
Energy: 1.178167086323258
Energy: 1.2553842143896108
Energy: 1.2214937464750781
Energy: 1.1624432177355597
Energy: 1.16064711399397
Energy: 1.2521337845176537
Energy: 1.2900685759889554
Energy: 1.2254050765108195
Energy: 1.1606471139908767
Energy: 1.252133784520747
Energy: 1.2900685760044222
Energy: 1.242013614855862
Energy: 1.3285993755415648
Energy: 1.1746634967852008
Energy: 1.2667657615427164
Energy: 1.2420136148527687
Energy: 1.3285993755446581
Energy: 1.174663496788294
Energy: 1.1897371073695768
Energy: 1.2722673576027788
Energy: 1.484815246363225
Energy: 1.2000059560428198
Energy: 1.1897371073726701
Energy: 1.2722673575996855
Energy: 1.484815246363225
Energy: 1.231702119696686
Energy: 1.2763684508874473
Energy: 1.224132084530813
Energy: 1.2760166577791707
Energy: 1.231702119696686
Energy: 1.2763684508874473
Energy: 1.2241320845369996
Energy: 1.2316598321301375
Energy: 1.3141747436346938
Energy: 1.4092919891603901
Energy: 1.332009713207038
Energy: 1.2316598321270442
Energy: 1.314174743643974
Energy: 1.4092919891634832
Energy: 1.2309903925817227
Energy: 1.3356435010028929
Energy: 1.4576970489042536
Energy: 1.3511999804899855
Energy: 1.230990392584816
Energy: 1.3356435010028929
Energy: 1.4576970489073469
Energy: 1.2306534407148673
Energy: 1.2747073063954497
Energy: 1.2754692486516648
Energy: 1.2218023990016773
Energy: 1.2306534407241474
Energy: 1.2747073063985432
Energy: 1.2754692486547583
Energy: 1.268021844161041
Energy: 1.2657486691481663
Energy: 1.3852394606146954
Energy: 1.215322126172991
Energy: 1.268021844164134
Energy: 1.2657486691481663
Energy: 1.3852394606146954
Energy: 1.1902160285880736
Energy: 1.2381954567709632
Energy: 1.2242843348074082
Energy: 1.214475259876756
Energy: 1.1902160285911672
Energy: 1.2381954567709632
Energy: 1.2242843350207362
Energy: 1.2691242520439245
Energy: 1.2369061414886218
Energy: 1.345180157816503
Energy: 1.3426244438132704
Energy: 1.2691242520408312
Energy: 1.236906141491715
Energy: 1.337075306391855
Energy: 1.2219165731559705
Energy: 1.1818730478864379
Energy: 1.192853915032143
Energy: 1.2249683645767107
Energy: 1.2219165731590638
Energy: 1.1818730478802513
Energy: 1.1928539150290498
Energy: 1.2749261626654824
Energy: 1.1693596046858403
Energy: 1.3696414135050392
Energy: 1.3477215570793102
Energy: 1.274926162662389
Energy: 1.1693596046920272
Energy: 1.3696414135019457
Energy: 1.2194716570574164
Energy: 1.1903974383021128
Energy: 1.2940229948236075
Energy: 1.2147216068806692
Energy: 1.2194716570543793
Energy: 1.1903974382990195
Energy: 1.2940229948236075
Energy: 1.2459095524008479
Energy: 1.2180778770966196
Energy: 1.4247268871171692
Energy: 1.36379433255705
Energy: 1.245909552394661
Energy: 1.2180778770966196
Energy: 1.4247268871171692
Energy: 1.183311767284747
Energy: 1.2401413697036088
Energy: 1.3664710701000897
Energy: 1.2162477379997196
Energy: 1.1833117672878404
Energy: 1.2401413697036088
Energy: 1.3664710700969966
Energy: 1.3316852538333426
Energy: 1.331244269133152
Energy: 1.3437521965962265
Energy: 1.4203332473781505
Energy: 1.3316852538333426
Energy: 1.331244269133152
Energy: 1.3437521965993198
Energy: 1.2534547340845739
Energy: 1.3682140654497965
Energy: 1.361261846730252
Energy: 1.2163961079333423
Energy: 1.2534547340814803
Energy: 1.3682140654528896
Energy: 1.3612618467240654
Energy: 1.4378484451285767
Energy: 1.3491440629170337
Energy: 1.377517770360072
Energy: 1.447153707796514
Energy: 1.4378484451285767
Energy: 1.3491440629170337
Energy: 1.3775177703631654
Energy: 1.3039739068323313
Energy: 1.4155361470182144
Energy: 1.4153498171384085
Energy: 1.4021482470358289
Energy: 1.303973906826145
Energy: 1.4155361470182144
Energy: 1.415349817144595
Energy: 1.4599661277731921
Energy: 1.3487362468094406
Energy: 1.2856083212983598
Energy: 1.4350133520135624
Energy: 1.4599661277700986
Energy: 1.3487362468094406
Energy: 1.28560832130764
Energy: 1.2563408759606818
Energy: 1.3671726703213694
Energy: 1.4388717979349754
Energy: 1.2100700041032757
Energy: 1.2563408759575885
Energy: 1.3671726703244624
Energy: 1.4388717979349754
Energy: 1.3248948523047233
Energy: 1.3504201710309738
Energy: 1.4191644697473984
Energy: 1.395279579088779
Energy: 1.324894852385094
Energy: 1.3504201710340673
Energy: 1.419164469744305
Energy: 1.2858417416689607
Energy: 1.2512725407219927
Energy: 1.3398047928776446
Energy: 1.2890117667878878
Energy: 1.2858417416689607
Energy: 1.251272540725086
Energy: 1.3398047928807377
Energy: 1.307641141132159
Energy: 1.3175812870737684
Energy: 1.486910730259259
Energy: 1.2841973444697012
Energy: 1.307641141132159
Energy: 1.3175812870737684
Energy: 1.486910730259259
Energy: 1.3113521823013308
Energy: 1.2661073846670723
Energy: 1.3450038033453224
Energy: 1.2703570121771803
Energy: 1.3113521822951442
Energy: 1.266107384663979
Energy: 1.3450038033453224
Energy: 1.3293905315848427
Energy: 1.2758044411423457
Energy: 1.3471426049891573
Energy: 1.294922479025907
Energy: 1.3293905315848427
Energy: 1.2758044411392526
Energy: 1.3471426049891573
Energy: 1.314289900600823
Energy: 1.2410821486155945
Energy: 1.3794284491937312
Energy: 1.2779201424382447
Energy: 1.3142899005946365
Energy: 1.2410821486155945
Energy: 1.3794284491937312
Energy: 1.33023824974003
Energy: 1.3017530006940203
Energy: 1.274265082865235
Energy: 1.3127405019117853
Energy: 1.3302382497431233
Energy: 1.301753000690927
Energy: 1.2742650828590485
Energy: 1.2626838939300629
Energy: 1.242384405936861
Energy: 1.241983856829645
Energy: 1.2449980204740831
Energy: 1.2626838939331564
Energy: 1.2423844059337676
Energy: 1.2419838568265515
Energy: 1.3648302463607813
Energy: 1.3427783147775605
Energy: 1.2836887088440958
Energy: 1.322236370522434
Energy: 1.3648302463576882
Energy: 1.3427783147775605
Energy: 1.283688708847189
Energy: 1.300943558998556
Energy: 1.3081772312048725
Energy: 1.288846372729502
Energy: 1.2557740705006661
Energy: 1.3009435589923695
Energy: 1.3081772312017794
Energy: 1.288846372729502
Energy: 1.3731465009254236
Energy: 1.3411116979254745
Energy: 1.3941678585172483
Energy: 1.3448920330963279
Energy: 1.3731465009254236
Energy: 1.3411116979254745
Energy: 1.3941678585172483
Energy: 1.239831769744698
Energy: 1.2729181310709652
Energy: 1.4444709236363065
Energy: 1.272104347947036
Energy: 1.2398317697416048
Energy: 1.2729181310771522
Energy: 1.4444709236363065
Energy: 1.3188270040224335
Energy: 1.3316561556624478
Energy: 1.3394832552605935
Energy: 1.3539317367813644
Energy: 1.3188270040286203
Energy: 1.3316561556593542
Energy: 1.3394832552667801
Energy: 1.2602748358072546
Energy: 1.2478220282086916
Energy: 1.3969313871636928
Energy: 1.2898616957437958
Energy: 1.2602748358041613
Energy: 1.2478220282055983
Energy: 1.3969313871698794
Energy: 1.1987864314371295
Energy: 1.277506244205333
Energy: 1.367865535663977
Energy: 1.3279395708986086
Energy: 1.198786431443316
Energy: 1.277506244205333
Energy: 1.3678655356608838

minimum gb energy = 1.104861238547715 eV
minimum distance =  2.23792603070994 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.1625474067766686
Energy: 0.9755972698467992
Energy: 1.0756513091512019
Energy: 0.9755972698509838
Energy: 1.1625474067752737
Energy: 0.9755972698502864
Energy: 0.7864932797239454
Energy: 1.1625474067759713
Energy: 0.975597269853076
Energy: 1.183873020893676
Energy: 0.9755972698502864
Energy: 1.162547406777366
Energy: 0.9755972698481941
Energy: 0.7864936826563443
Energy: 1.1625474067752737
Energy: 0.9755972698502864
Energy: 1.0811457930848274
Energy: 0.9755972698481941
Energy: 1.1625474067759713
Energy: 0.975597269849589
Energy: 0.7864945073023458
Energy: 1.1625474067766686
Energy: 0.9755972698474967
Energy: 1.0756522606092904
Energy: 0.9755972698509838
Energy: 1.1625474067752737
Energy: 0.9755972698509838
Energy: 0.7864950851677859
Energy: 1.1625474067766686
Energy: 0.975597269853076
Energy: 0.9143834953954941
Energy: 0.9755972698502864
Energy: 1.1625474067759713
Energy: 0.9755972698481941
Energy: 0.7864958041286843
Energy: 1.1625474067766686
Energy: 0.9755972698509838
Energy: 1.0805985674661167
Energy: 0.9755972698481941
Energy: 1.1625474067759713
Energy: 0.9755972698502864
Energy: 0.7864962515667728
Energy: 1.1625474067752737
Energy: 0.9755972698467992
Energy: 0.786496932347656
Energy: 0.9755972698516812
Energy: 1.1625474067752737
Energy: 0.9755972698516812
Energy: 0.7864965696649964
Energy: 1.1625474067759713
Energy: 0.975597269853076
Energy: 0.9143793019032609
Energy: 0.975597269849589
Energy: 1.1625474067766686
Energy: 0.9755972698474967
Energy: 0.7864969829245847
Energy: 1.1625474067759713
Energy: 0.9755972698502864
Energy: 0.7864970161173603
Energy: 0.9755972698481941
Energy: 1.1625474067759713
Energy: 0.9755972698502864
Energy: 0.7864971063138033
Energy: 1.1625474067759713
Energy: 0.9755972698467992
Energy: 1.0756541517685114
Energy: 0.9755972698516812
Energy: 1.1625474067759713
Energy: 0.9755972698516812
Energy: 0.7864970624453126
Energy: 1.1625474067759713
Energy: 0.9755972698523787
Energy: 0.9143623473490773
Energy: 0.9755972698502864
Energy: 1.1625474067759713
Energy: 0.9755972698474967
Energy: 0.7864966325147271
Energy: 1.1625474067759713
Energy: 0.9755972698509838
Energy: 0.7864940829787315
Energy: 0.9755972698488915
Energy: 1.1625474067759713
Energy: 0.9755972698502864
Energy: 0.7864956873635143
Energy: 1.1625474067752737
Energy: 0.9755972698474967
Energy: 0.7864931043984086
Energy: 0.9755972698516812
Energy: 1.1625474067752737
Energy: 0.9755972698509838
Energy: 0.7864947953804108
Energy: 1.1625474067759713
Energy: 0.9755972698523787
Energy: 0.7864884482318018
Energy: 0.9755972698502864
Energy: 1.1625474067766686
Energy: 0.9755972698488915
Energy: 0.7864935680815222
Energy: 1.1625474067759713
Energy: 0.9755972698502864
Energy: 0.7864801105534162
Energy: 0.9755972698481941
Energy: 1.1625474067752737
Energy: 0.9755972698502864
Energy: 0.7864870123428602
Energy: 1.1625474067766686
Energy: 0.9755972698474967
Energy: 0.7864792532298193
Energy: 0.9755972698516812
Energy: 1.1625474067752737
Energy: 0.9755972698516812
Energy: 0.7864839218303034
Energy: 1.1625474067759713
Energy: 0.9755972698523787
Energy: 0.7864763346582895
Energy: 0.9755972698502864
Energy: 1.1625474067759713
Energy: 0.9755972698481941
Energy: 0.7864782370906391
Energy: 1.1625474067766686
Energy: 0.9755972698509838
Energy: 0.7864770053253339
Energy: 0.9755972698481941
Energy: 1.1625474067759713
Energy: 0.9755972698502864
Energy: 0.7864767146323755
Energy: 1.1625474067752737
Energy: 0.9755972698467992
Energy: 0.7864814177947571
Energy: 0.9755972698509838
Energy: 1.1625474067752737
Energy: 0.9755972698509838
Energy: 0.7864766217429264
Energy: 1.1625474067759713
Energy: 0.9755972698523787
Energy: 0.7864889943294144
Energy: 0.9755972698502864
Energy: 1.1625474067766686
Energy: 0.9755972698481941
Energy: 0.7864825768774311

minimum gb energy = 0.7864763346582895 eV
minimum distance =  2.41438411886907 Angstroms
sigma value = 23