Model name: model_name=MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_000
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=3.567322999238968
cohesive_energy=4.225801871834611
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: 0.02062500677116322
Energy: 1.7618131576111076
Energy: 0.15532791838125123
Energy: 1.7769545198064407
Energy: 0.02062500676859215
Energy: 1.7618131576116332
Energy: 0.15532791837868018
Energy: 0.6054404530003812
Energy: -0.004723773344151407
Energy: -0.014762841637695156
Energy: -0.004978948959190839
Energy: 0.6054404530003812
Energy: -0.004723773344151407
Energy: -0.014762841637958105
Energy: 0.02062500677116322
Energy: 1.7618131576111076
Energy: 0.15532791838125123
Energy: 1.7769545198064407
Energy: 0.02062500676859215
Energy: 1.7618131576116332
Energy: 0.15532791837096696
Energy: 0.6054404530003812
Energy: -0.004723773344151407
Energy: -0.014762841637958105
Energy: -0.004978948959190839
Energy: 0.6054404530003812
Energy: -0.004723773344151407
Energy: -0.014762841637958105
Energy: 0.02062500677116322
Energy: 1.7618131576108442
Energy: 0.15532791837353802
Energy: 1.7769545198064407
Energy: 0.02062500676859215
Energy: 1.7618131576118963
Energy: 0.15532791838896445
Energy: 0.6054404530003812
Energy: -0.004723773344151407
Energy: -0.014762841637958105
Energy: -0.004978948959190839
Energy: 0.6054404530003812
Energy: -0.004723773344151407
Energy: -0.014762841637958105

minimum gb energy = -0.014762841637958105 eV
minimum distance =  2.48156224931038 Angstroms
sigma value = 5


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

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Energy: 0.6191071099167866
Energy: 0.6354591341587642
Energy: 0.6994419358528223
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Energy: 0.793200722894254
Energy: 0.5858102422127924
Energy: 0.7052406271714345
Energy: 0.5844088937725066
Energy: 0.793200722897395
Energy: 0.5858172132221316
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Energy: 0.6786291921903792
Energy: 0.6027049931828802
Energy: 0.46380370079061906
Energy: 0.7410435756038184
Energy: 0.6786291923285287
Energy: 0.6027062438938715
Energy: 0.4638036959775438
Energy: 0.7267961586695294
Energy: 0.7584315615105726
Energy: 0.7686075471829568
Energy: 0.6967188337674118
Energy: 0.726796159143601
Energy: 0.7584315616142275
Energy: 0.768607548338353
Energy: 0.7062542999449667
Energy: 0.8709341926795406
Energy: 0.6380410792858779
Energy: 0.5039468671639484
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Energy: 0.7270027586152326
Energy: 0.6074264403608701
Energy: 0.6987752141269065
Energy: 0.6870953656472383
Energy: 0.727002772869307
Energy: 0.6085386386918733

minimum gb energy = 0.40587755331432696 eV
minimum distance =  2.26669394948827 Angstroms
sigma value = 401


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

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Energy: 0.7104707493787541
Energy: 0.6220533873659395
Energy: 0.7119357174678939
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Energy: 0.5642858546512343
Energy: 0.7705552616922978
Energy: 0.7518897229789034
Energy: 0.6799537254276296
Energy: 0.598267216393745
Energy: 0.7705552616922978
Energy: 0.7518897233709063
Energy: 0.6780488181554654
Energy: 0.7033388622560119
Energy: 0.7909148412991507
Energy: 0.6604851007944643
Energy: 0.7845537278734249
Energy: 0.703338861913925
Energy: 0.8087675701657999
Energy: 0.8973540216798156
Energy: 0.7264282343051992
Energy: 0.6816583099083058
Energy: 0.7559825439176698
Energy: 0.6872742531688225
Energy: 0.7264282060153864
Energy: 0.6776313919155654
Energy: 0.7572216737375961
Energy: 0.6454214718793857
Energy: 0.6386194305253494
Energy: 0.8509124309320959
Energy: 0.746428878354236
Energy: 0.6454214722357344
Energy: 0.63861943679772
Energy: 0.6938062624350796
Energy: 0.620056628537867
Energy: 0.722240621263789
Energy: 0.66396292847402
Energy: 0.7110814004273801
Energy: 0.6200566345571569
Energy: 0.722161121602676
Energy: 0.7008547337441421
Energy: 0.8706958296115279
Energy: 0.6146830672445722
Energy: 0.6320477870213562
Energy: 0.8268834516466397
Energy: 0.8706958296150933
Energy: 0.6146830718704918
Energy: 0.6760692528035017
Energy: 1.0002508889069597
Energy: 0.7104711359778256
Energy: 0.6220533873873322
Energy: 0.7119423681815663
Energy: 1.000250888910525
Energy: 0.7104713511558493
Energy: 0.6826666189277357
Energy: 0.7997498023258314
Energy: 0.5634426769572347
Energy: 0.8427718618093066
Energy: 0.6394333338219591
Energy: 0.7997498023543549
Energy: 0.5646808871819777
Energy: 0.8427718061776316

minimum gb energy = 0.5182191774648569 eV
minimum distance =  2.24660847049917 Angstroms
sigma value = 311


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

Energy: 0.5483777996808251
Energy: 0.7154538127229957
Energy: 0.6888541376936685
Energy: 0.7102258797654653
Energy: 0.5483724267197926
Energy: 0.7154537091110845
Energy: 0.7421691616361937
Energy: 0.7626391542444098
Energy: 0.7636160548152215
Energy: 0.7317080099020461
Energy: 0.8235602421036338
Energy: 0.7626400581590863
Energy: 0.7636160544172943
Energy: 0.731708009953883
Energy: 0.8078497672782048
Energy: 0.7206317931207727
Energy: 0.7249724278849295
Energy: 0.8219025288442617
Energy: 0.8078497285465465
Energy: 0.7206317930960706
Energy: 0.7493073508956666
Energy: 0.7764975424912401
Energy: 0.6815491174182583
Energy: 0.701927432299032
Energy: 0.7781614464662064
Energy: 0.7764975693584019
Energy: 0.6815471806505654
Energy: 0.7019002319028484
Energy: 0.7803735421308
Energy: 0.750982263462731
Energy: 0.7837987429764046
Energy: 0.7522922927482051
Energy: 0.7803735421571487
Energy: 0.7509822757671111
Energy: 0.6210250399291926
Energy: 0.7478412121748661
Energy: 0.7955043884084467
Energy: 0.6040645020478013
Energy: 0.8625978111196169
Energy: 0.747842483178944
Energy: 0.7955043896129699
Energy: 0.6016647463306335
Energy: 0.7975156933164125
Energy: 0.7501989722882929
Energy: 0.65073905611582
Energy: 0.6398957626925236
Energy: 0.7975156932172301
Energy: 0.7501990482223667
Energy: 0.6508086314997197
Energy: 0.7459469410811046
Energy: 0.7161122200260321
Energy: 0.645333385670761
Energy: 0.7435224772128863
Energy: 0.745947856121949
Energy: 0.7163931128918785
Energy: 0.6453333798321371
Energy: 0.8393646748752175
Energy: 0.6611055799393185
Energy: 0.7546037670519031
Energy: 0.76736800197144
Energy: 0.8393646749801636
Energy: 0.6611055373723332
Energy: 0.687875349496856
Energy: 0.823288153375402
Energy: 0.7013125897091326
Energy: 0.7965548926728853
Energy: 0.7114274286258147
Energy: 0.8232881533017449
Energy: 0.7013125897190133
Energy: 0.7965548914910054
Energy: 0.7958668063346344
Energy: 0.8358274819930102
Energy: 0.6493097512348337
Energy: 0.7924196746677665
Energy: 0.795866807958905
Energy: 0.8378174235829989
Energy: 0.6482738462416099
Energy: 0.6661831175517707
Energy: 0.6715254443140178
Energy: 0.6002087165774733
Energy: 0.7767373785089616
Energy: 0.6661793952697143
Energy: 0.67152543108043
Energy: 0.6002090857808818
Energy: 0.7110008416118855
Energy: 0.7074619766424645
Energy: 0.6671836034334838
Energy: 0.6639661148645692
Energy: 0.7110008416201196
Energy: 0.7031613326878877
Energy: 0.667266465992471
Energy: 0.7830762014486854
Energy: 0.6701651317306324
Energy: 0.5489699720358494
Energy: 0.7229484915884914
Energy: 0.7925291215087533
Energy: 0.6701790829730538
Energy: 0.5489699664074923
Energy: 0.8260675150385582
Energy: 0.730403952821725
Energy: 0.773542549003205
Energy: 0.7821860224180357
Energy: 0.8260675081596047
Energy: 0.7304039526237719
Energy: 0.7735425164574962
Energy: 0.7210981392785506
Energy: 0.8066058305225807
Energy: 0.5818908185063981
Energy: 0.6292041325667471
Energy: 0.7210981393271312
Energy: 0.80660583675625
Energy: 0.5818908113048211
Energy: 0.8417855166597318
Energy: 0.8168446245036414
Energy: 0.7689044492185806
Energy: 0.8789021888059353
Energy: 0.8417855171593117
Energy: 0.816844623785935
Energy: 0.7689044065853491
Energy: 0.8288515283451305
Energy: 0.7615151026696232
Energy: 0.7484058923187228
Energy: 0.6856120154864002
Energy: 0.8288517817346865
Energy: 0.7557047335093396
Energy: 0.7484062650492441
Energy: 0.8151686591156007
Energy: 0.6742695162373741
Energy: 0.7448788175887443
Energy: 0.7467197045104039
Energy: 0.8151686593867989
Energy: 0.6742694502402153
Energy: 0.7388262968507969
Energy: 0.7449885637746794
Energy: 0.6614768990795113
Energy: 0.6024544598383027
Energy: 0.6485816024813232
Energy: 0.7449886170901161
Energy: 0.6614769016721016
Energy: 0.5986842833529766
Energy: 0.7646281375810597
Energy: 0.6433223486011292
Energy: 0.7612938662548395
Energy: 0.7208123802826581
Energy: 0.7646281255421146
Energy: 0.6446175447902135
Energy: 0.8097814279236281
Energy: 0.7535099561750097
Energy: 0.8332314968060153
Energy: 0.7309440664845211
Energy: 0.7411024216172963
Energy: 0.7535099580540107
Energy: 0.8332429223248685
Energy: 0.7309440020819907
Energy: 0.7513854760073803
Energy: 0.749176044173414
Energy: 0.6697415495964896
Energy: 0.8376589605034894
Energy: 0.7513854564220399
Energy: 0.7491767583175242
Energy: 0.6697415511380458
Energy: 0.7399371505325357
Energy: 0.7220076013134878
Energy: 0.5807630560937056
Energy: 0.7016686136447478
Energy: 0.739937153806191
Energy: 0.7220076049595449
Energy: 0.5809396466051817
Energy: 0.7059820053422495
Energy: 0.7494493482757819
Energy: 0.5836737877355085
Energy: 0.7947116899130484
Energy: 0.7059819907144566
Energy: 0.749449348274135
Energy: 0.6266100435783674
Energy: 0.8683426067626928
Energy: 0.7114026021450474
Energy: 0.6197083008282392
Energy: 0.7724109707426353
Energy: 0.8683426274204754
Energy: 0.7114031085204685
Energy: 0.6197081984220866
Energy: 0.6834207763299438
Energy: 0.7912371257858523
Energy: 0.6743113247726137
Energy: 0.6303666145297203
Energy: 0.6834159916486995
Energy: 0.7912371868398357
Energy: 0.7244652343066812
Energy: 0.830563676268778
Energy: 0.6800287517523924
Energy: 0.6975907445260101
Energy: 0.7011033384835872
Energy: 0.8305636547381903
Energy: 0.6768040161331563
Energy: 0.6975907439647127
Energy: 0.7234589916607298
Energy: 0.7194702153364508
Energy: 0.7509331640294971
Energy: 0.8251292339622769
Energy: 0.7234046309917557
Energy: 0.7194702130829895
Energy: 0.8217574743553635
Energy: 0.7429453767944999
Energy: 0.7234031921102202
Energy: 0.7752659912965345
Energy: 0.8561020545570353
Energy: 0.742945376803969
Energy: 0.7234034104791861
Energy: 0.7752659912895355
Energy: 0.7866857390842761
Energy: 0.804330533695776
Energy: 0.5453361470116644
Energy: 0.6712188272623685
Energy: 0.7866857671304357
Energy: 0.8043305377801068
Energy: 0.5410651868090798
Energy: 0.7851627540459329
Energy: 0.7561072326225321
Energy: 0.5448046177642575
Energy: 0.750085654224517
Energy: 0.7851627540401693
Energy: 0.7561072301155757
Energy: 0.5448045047294205
Energy: 0.7811771334294454
Energy: 0.7117813777467111
Energy: 0.7182364568157628
Energy: 0.7634466768781565
Energy: 0.781177133424505
Energy: 0.711818375533142
Energy: 0.7182364045073455
Energy: 0.7641433857756964
Energy: 0.8348605751291618
Energy: 0.7691206061241622
Energy: 0.7981811621517332
Energy: 0.7641432289421789
Energy: 0.8348605643082884
Energy: 0.7691206039538271
Energy: 0.8205679509941086
Energy: 0.8318156078509079
Energy: 0.6422017376686301
Energy: 0.7800797492002244
Energy: 0.8205679398308501
Energy: 0.8318156067743859
Energy: 0.6492513100187898
Energy: 0.8370307490907748
Energy: 0.6133324230442532
Energy: 0.6760490697905002
Energy: 0.7296768425056486
Energy: 0.8370308644441214
Energy: 0.6133248426356371
Energy: 0.6760443937634872

minimum gb energy = 0.5410651868090798 eV
minimum distance =  2.28385435650117 Angstroms
sigma value = 39


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

Energy: 0.6262959487531212
Energy: 0.7043055912198588
Energy: 0.5090759610273491
Energy: 0.7550383071404829
Energy: 0.6262958955945531
Energy: 0.70430559178225
Energy: 0.7156380588899791
Energy: 0.7138726686015765
Energy: 0.8133664292958784
Energy: 0.4593611537087485
Energy: 0.9215878123235409
Energy: 0.7138726686054636
Energy: 0.8133664292026324
Energy: 0.4593611519550082
Energy: 0.7155132515358102
Energy: 0.8458244600236584
Energy: 0.5026664825331899
Energy: 0.8544943935466046
Energy: 0.7155132462012203
Energy: 0.8458244600017936
Energy: 0.5026657728859019
Energy: 0.7022774604657616
Energy: 0.8351272666905771
Energy: 0.49242089000612493
Energy: 0.6499495182518196
Energy: 0.702277459751332
Energy: 0.835127266834797
Energy: 0.4924208933859059
Energy: 0.7375738356603695
Energy: 0.8410891917062677
Energy: 0.6291413692308773
Energy: 0.9972384229460155
Energy: 0.7375739024031703
Energy: 0.8410891917120984
Energy: 0.6291411805896263
Energy: 0.7094745266186743
Energy: 0.8618768547747575
Energy: 0.7306332981909716
Energy: 0.5520091633208468
Energy: 0.7094745260820349
Energy: 0.8618768547825317
Energy: 0.7306332527778729
Energy: 0.9102518386147921
Energy: 0.8961407214147171
Energy: 0.6759411034043189
Energy: 0.8166285543654271
Energy: 0.9102518386080339
Energy: 0.8961407214360962
Energy: 0.9055087181102185
Energy: 0.6577266640941696
Energy: 0.6352206826690097
Energy: 0.47437464786980055
Energy: 0.6935872731043475
Energy: 0.657726620648027
Energy: 0.6352210318705075
Energy: 0.47437474018121983
Energy: 0.8966580742660526
Energy: 0.9216167385449793
Energy: 1.0508963678157808
Energy: 0.5151392166302944
Energy: 0.8966580742660526
Energy: 0.9216167384964347
Energy: 1.05089636780995
Energy: 0.7176197303289755
Energy: 0.5894908941050255
Energy: 0.5395881059548716
Energy: 0.8273912816296407
Energy: 0.7176197303124554
Energy: 0.5894909626365504
Energy: 0.5395881058922364
Energy: 0.9683317436754725
Energy: 0.989732592684871
Energy: 0.6424508553244649
Energy: 0.5279723433299992
Energy: 0.9683317436774159
Energy: 0.9897325926829275
Energy: 0.6501757212926883
Energy: 0.7292495268545343
Energy: 0.5067222899482966
Energy: 0.5015949284513986
Energy: 0.8209757194360243
Energy: 0.7292495268875302
Energy: 0.5021862749591531
Energy: 0.5015949288161227
Energy: 0.7423129325123382
Energy: 0.8181870076594959
Energy: 0.5724986298683878
Energy: 0.8628733840042377
Energy: 0.7423129458867123
Energy: 0.818186951157544
Energy: 0.5878472145760099
Energy: 0.7032619574829727
Energy: 0.5255987181371898
Energy: 0.5021175148398959
Energy: 0.8493415574367641
Energy: 0.7032619574586784
Energy: 0.7628422524240707
Energy: 0.5021175148491278
Energy: 0.6262958439036708
Energy: 0.7043055911843891
Energy: 0.495190454099569
Energy: 0.7550384111992638
Energy: 0.6262958499288819
Energy: 0.7043055910653911
Energy: 0.7156380164035062
Energy: 0.713872668548659
Energy: 0.8133664293420375
Energy: 0.45936116527014825
Energy: 0.9215879960216495
Energy: 0.713872668548659
Energy: 0.813366429267697
Energy: 0.4593611640559625
Energy: 0.7155133833273915
Energy: 0.8458244608094692
Energy: 0.5026804234436737
Energy: 0.8544943935815883
Energy: 0.7155133718563224
Energy: 0.8458244601606343
Energy: 0.5027181173495137
Energy: 0.7022774647906355
Energy: 0.8351272634870845
Energy: 0.4924208577687611
Energy: 0.6499495162994401
Energy: 0.702277464513327
Energy: 0.8351272653972361
Energy: 0.4924208597643845
Energy: 0.7375739426623406
Energy: 0.8410891917208443
Energy: 0.629136631491971
Energy: 0.9972384229343542
Energy: 0.7375740200932709
Energy: 0.8410891917203586
Energy: 0.6291371558496078
Energy: 0.7094745235759659
Energy: 0.8618768547271406
Energy: 0.7306335928084876
Energy: 0.5520091657622929
Energy: 0.7094745230183892
Energy: 0.8618768547227678
Energy: 0.7306335494070023
Energy: 0.9102518386177075
Energy: 0.8961407214894995
Energy: 0.9055087182141098
Energy: 0.8166285536082396
Energy: 0.9102518386186793
Energy: 0.8961407215215681
Energy: 0.9055087181602207
Energy: 0.6577300199749352
Energy: 0.635220128724784
Energy: 0.47437452048132106
Energy: 0.6935872730611037
Energy: 0.6577299847565263
Energy: 0.6352199205460003
Energy: 0.47437460704969675
Energy: 0.8966580742631373
Energy: 0.9216167381933743
Energy: 1.0508963681096095
Energy: 0.5151391123728744
Energy: 0.8966580742645949
Energy: 0.9216167384726264
Energy: 1.050896368234924
Energy: 0.7176197299676529
Energy: 0.5894911237806117
Energy: 0.5395881055780004
Energy: 0.8273912816291548
Energy: 0.7176197298744068
Energy: 0.5894909886014754
Energy: 0.5395881055648815
Energy: 0.9683317436574946
Energy: 0.9897325926863285
Energy: 0.43639594219930233
Energy: 0.5279725695626393
Energy: 0.9683317436570088
Energy: 0.9897325926838993
Energy: 0.43639127529639155
Energy: 0.7292495408622389
Energy: 0.5066931356626476
Energy: 0.5015949289472678
Energy: 0.8209757193835927
Energy: 0.7292495407296362
Energy: 0.5069027135098865
Energy: 0.5015949293464896
Energy: 0.7423128680419835
Energy: 0.8181871974605132
Energy: 0.3711612205987602
Energy: 0.862873384198018
Energy: 0.7423128728943091
Energy: 0.8181871852201537
Energy: 0.3711600929595602
Energy: 0.7032619575305454
Energy: 0.7622754629806723
Energy: 0.5021175148835815
Energy: 0.849341557462472
Energy: 0.7032619575145553
Energy: 0.7680107901237067
Energy: 0.5021175148355229
Energy: 0.6262957389808514
Energy: 0.7043055900008143
Energy: 0.7156379830928195
Energy: 0.7550383056038011
Energy: 0.6262958107342886
Energy: 0.7043055900221933
Energy: 0.7156379519418973
Energy: 0.7138726686530805
Energy: 0.8133664296052553
Energy: 0.4593611670982293
Energy: 0.9215879070565293
Energy: 0.7138726686501652
Energy: 0.8133664295945658
Energy: 0.45936116553871087

minimum gb energy = 0.3711600929595602 eV
minimum distance =  2.26826939909506 Angstroms
sigma value = 21


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

Energy: 0.7906419938761211
Energy: 0.7816448094746539
Energy: 0.5198004695908862
Energy: 0.7143854040927943
Energy: 0.7906419911062691
Energy: 0.7816448090631306
Energy: 0.5198004695472647
Energy: 0.7279264882587945
Energy: 0.6665245433354727
Energy: 0.9490925024613841
Energy: 0.6878365161637077
Energy: 0.7279262845748317
Energy: 0.6665245420772827
Energy: 0.9490925027538124
Energy: 0.7984473859161041
Energy: 0.5922446509173215
Energy: 0.41184679508505323
Energy: 0.6882114773542829
Energy: 0.7984473858948697
Energy: 0.5922446520109987
Energy: 0.41184679510982664
Energy: 0.7249251470059483
Energy: 0.6616678769858358
Energy: 0.6751107184004402
Energy: 0.6081163956897633
Energy: 0.7249251470065382
Energy: 0.6616678768207331
Energy: 0.6751107125199407
Energy: 0.7121361013241517
Energy: 0.62839318493023
Energy: 0.5441417629656606
Energy: 0.7108007154260921
Energy: 0.7121361546064405
Energy: 0.6283931819286769
Energy: 0.5441417627486785
Energy: 0.7110307202514282
Energy: 0.6154131251995432
Energy: 0.7795097277012434
Energy: 0.6423358165833182
Energy: 0.7110307202561469
Energy: 0.6154131176310722
Energy: 0.7795107662034626
Energy: 0.7715384063278757
Energy: 0.6917927378572143
Energy: 0.6436146040632041
Energy: 0.6404978949285545
Energy: 0.7715384068932676
Energy: 0.6917927762077194
Energy: 0.6436146041151104
Energy: 0.686264361103305
Energy: 0.8055880717267123
Energy: 0.8038988591963454
Energy: 0.6545203755786124
Energy: 0.6862643612412748
Energy: 0.8055880811588477
Energy: 0.8038990736083568
Energy: 0.7496907766998198
Energy: 0.6454275306688252
Energy: 0.757778994686875
Energy: 0.7772084744779651
Energy: 0.7496907814223757
Energy: 0.6454275306363837
Energy: 0.757778990528558
Energy: 0.7823770321398649
Energy: 0.6492945421446902
Energy: 0.6141271791891761
Energy: 0.6354773474578279
Energy: 0.7823770321422244
Energy: 0.6492945421022482
Energy: 0.6141270013100133
Energy: 0.7381821214181229
Energy: 0.7548047738410316
Energy: 0.8690031841075807
Energy: 0.8558994382813268
Energy: 0.7381821214310994
Energy: 0.7548047737797148
Energy: 0.8690031841553313
Energy: 0.7352311095343386
Energy: 0.7067501649509323
Energy: 0.7667553824606992
Energy: 0.5791936500420631
Energy: 0.7352311095355183
Energy: 0.7067501643171452
Energy: 0.7667557728375094
Energy: 0.7644824969977964
Energy: 0.6683912174042232
Energy: 0.83416082440944
Energy: 0.6538964856177788
Energy: 0.7644824974163977
Energy: 0.6683912174018639
Energy: 0.8341608249217727
Energy: 0.6135784360338592
Energy: 0.7896941278059658
Energy: 0.8484540881217606
Energy: 0.6587292656945131
Energy: 0.61357844050171
Energy: 0.7896941272252379
Energy: 0.8484540881217606
Energy: 0.7152472276470921
Energy: 0.8087802694449726
Energy: 0.49311277533330333
Energy: 0.8996679384286873
Energy: 0.7152472277602885
Energy: 0.8087552724755136
Energy: 0.49312381942896455
Energy: 0.65059720487172
Energy: 0.7011268625622502
Energy: 0.742635921436994
Energy: 0.6624361195185284
Energy: 0.6505972044961504
Energy: 0.7011268577235755
Energy: 0.74263592141399
Energy: 0.7466296963731418
Energy: 0.8991603485969132
Energy: 0.8480497694648239
Energy: 0.745316468502842
Energy: 0.746629696172702
Energy: 0.8991603485957336
Energy: 0.8480497688705296
Energy: 0.6712273471482313
Energy: 0.7084147661106758
Energy: 0.6883589480646549
Energy: 0.705492990352798
Energy: 0.6712273471376141
Energy: 0.7084147674761638
Energy: 0.6883590853558215
Energy: 0.7788060876757897
Energy: 0.790405893355851
Energy: 0.7501254326450141
Energy: 0.7139572081185773
Energy: 0.7788060877907558
Energy: 0.7904058932721201
Energy: 0.750125436559243
Energy: 0.6172113405911596
Energy: 0.7273021687432825
Energy: 0.8238800436848395
Energy: 0.7482990727014518
Energy: 0.6172113405952885
Energy: 0.7273021664557081
Energy: 0.823880043607007
Energy: 0.7369746798783725
Energy: 0.6876513859728633
Energy: 0.6317653333199197
Energy: 0.824495741565407
Energy: 0.736974679541706
Energy: 0.6876513859740432
Energy: 0.6317651615299534
Energy: 0.6707322413382483
Energy: 0.7249542071244266
Energy: 0.569953526572601
Energy: 0.6645067617403638
Energy: 0.670732241358276
Energy: 0.7249542066091446
Energy: 0.5680196196113313
Energy: 0.7399527142019278
Energy: 0.7467180857791139
Energy: 0.6713977865036312
Energy: 0.9083451388476683
Energy: 0.7399527142019278
Energy: 0.7467180857897312
Energy: 0.6713977865000921
Energy: 0.6432160148106014
Energy: 0.675696457424986
Energy: 0.7591951021287027
Energy: 0.658676921273118
Energy: 0.6432160131285284
Energy: 0.6756964613958399
Energy: 0.7591951021853007
Energy: 0.7257363909950777
Energy: 0.7125457921784673
Energy: 0.7519471966955739
Energy: 0.8209009704150468
Energy: 0.7257363926966156
Energy: 0.7125457921879046
Energy: 0.7536773710268627

minimum gb energy = 0.41184679508505323 eV
minimum distance =  2.28278645249102 Angstroms
sigma value = 113


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

Energy: 0.4250651791042504
Energy: 0.7329627400680189
Energy: 0.6581331049216672
Energy: 0.6783818828533262
Energy: 0.42506527798568916
Energy: 0.7329627401601327
Energy: 0.7404485356934111
Energy: 0.42895260379687794
Energy: 0.5391408865189412
Energy: 0.8433706993412826
Energy: 0.43326149518133544
Energy: 0.42895227638679245
Energy: 0.5391407534430531
Energy: 0.8440397460656385
Energy: 0.5845278693604289
Energy: 0.709845460442968
Energy: 0.69595935041854
Energy: 0.7037608760680136
Energy: 0.5845282637082168
Energy: 0.7098454604363841
Energy: 0.6959592629714224
Energy: 0.31511935331317337
Energy: 0.5866584238052177
Energy: 0.9923963960932659
Energy: 0.4236943095144089
Energy: 0.31510739098071966
Energy: 0.5866584294088969
Energy: 0.9923963650774309
Energy: 0.7092271916669356
Energy: 0.6134550430680047
Energy: 0.6365536874307656
Energy: 0.6288605062870835
Energy: 0.7092271911898471
Energy: 0.6134550430712966
Energy: 0.6365536848017216
Energy: 0.4187892230847089
Energy: 0.49218796104296086
Energy: 0.7528182677414028
Energy: 0.3511638314154849
Energy: 0.4187892224891115
Energy: 0.4639904471081609
Energy: 0.7528254093176933
Energy: 0.6815691738657487
Energy: 0.6101196791481911
Energy: 0.7942679167397101
Energy: 0.48604041934527525
Energy: 0.6815691738558729
Energy: 0.6101196790824127
Energy: 0.7942680528691196
Energy: 0.438784293538151
Energy: 0.5614459708487284
Energy: 0.4550054273319777
Energy: 0.5258468747045539
Energy: 0.43878429121836765
Energy: 0.5614459708651879
Energy: 0.44427800479514995
Energy: 0.6837206590750676
Energy: 0.5934008392607654
Energy: 0.6117157849759985
Energy: 0.6242097810493283
Energy: 0.6837206593120257
Energy: 0.5934008392640574
Energy: 0.6116838037152964
Energy: 0.4841295918000473
Energy: 0.5834945348459699
Energy: 0.7816103748109657
Energy: 0.4638548656261403
Energy: 0.4841296709584795
Energy: 0.5834945344182004
Energy: 0.7817372084658545
Energy: 0.6665268241320103
Energy: 0.3871404877868378
Energy: 0.5629863742744177
Energy: 0.5664011001143529
Energy: 0.6665268194298971
Energy: 0.3871335902997222
Energy: 0.5631521631768256
Energy: 0.5091845624039765
Energy: 0.3597462435668752
Energy: 0.6595615817115716
Energy: 0.45834016231757274
Energy: 0.5091845583205042
Energy: 0.35974554762917577
Energy: 0.6594825430348077
Energy: 0.6337012552086666
Energy: 0.43306672853530714
Energy: 0.48505316093117595
Energy: 0.5501041547054097
Energy: 0.6337012549520168
Energy: 0.4330600625843329
Energy: 0.48505272016820894
Energy: 0.4666276249677969
Energy: 0.5327797668856241
Energy: 0.36593355038251674
Energy: 0.4702923812142223
Energy: 0.4666276252244466
Energy: 0.5327797664512707
Energy: 0.39086067666519064
Energy: 0.5870851814472845
Energy: 0.3999982780316403
Energy: 0.6574125951770059
Energy: 0.36071452047165653
Energy: 0.5870855978279865
Energy: 0.39999576145903853
Energy: 0.6574127900443141
Energy: 0.4946596435547729
Energy: 0.6195156774020472
Energy: 0.42634583161411455
Energy: 0.4798510132446869
Energy: 0.49465964514075816
Energy: 0.6195156744669748
Energy: 0.4263587024279083
Energy: 0.4570168881701322
Energy: 0.5885005803719275
Energy: 0.8071849200065698
Energy: 0.4743731333715675
Energy: 0.45701690240796866
Energy: 0.5886212984899012
Energy: 0.7297490863678743
Energy: 0.3516328696045576
Energy: 0.45127042503871867
Energy: 0.3006023986001958
Energy: 0.38822229055060276
Energy: 0.35165320757525986
Energy: 0.45127042058673134
Energy: 0.3006024838592069
Energy: 0.5616927103090908
Energy: 0.5104888386454839
Energy: 0.7285877799270176
Energy: 0.5934127205196698
Energy: 0.5616927633775916
Energy: 0.5104888386585917
Energy: 0.7285877799237256
Energy: 0.4635445228544881
Energy: 0.6382898662054909
Energy: 0.38584139862986805
Energy: 0.570289260031484
Energy: 0.4635445231341813
Energy: 0.6382898657613217
Energy: 0.3883446975217924
Energy: 0.5991711152135183
Energy: 0.5191546368123432
Energy: 0.8264223151378342
Energy: 0.3721007965001627
Energy: 0.5991711152069346
Energy: 0.5191546367991756
Energy: 0.8264223151312504
Energy: 0.43261345271964174
Energy: 0.44150127345565093
Energy: 0.49390202494225427
Energy: 0.5005405984959138
Energy: 0.4297792660080985
Energy: 0.4415012731398065
Energy: 0.4939020234681342
Energy: 0.5357831094538911
Energy: 0.531299183273885
Energy: 0.7758243546746769
Energy: 0.814951135696083
Energy: 0.5357831180946322
Energy: 0.5312991838925258
Energy: 0.7692441807341271
Energy: 0.24737982237638126
Energy: 0.5300743188125788
Energy: 0.4383522366989991
Energy: 0.3811835501008005
Energy: 0.234366773964769
Energy: 0.5300743204973215
Energy: 0.4383522373274558
Energy: 0.3519618507985597
Energy: 0.6465362888100742
Energy: 0.8207411854055874
Energy: 0.6526814235181372
Energy: 0.3519298289303964
Energy: 0.6465362888397014
Energy: 0.8207733699702999
Energy: 0.3482637793510036
Energy: 0.5994761835786078
Energy: 0.3871555779266758
Energy: 0.576121982917641
Energy: 0.34832059966101725
Energy: 0.5994761333037467
Energy: 0.38722212888416824
Energy: 0.6059494646604446
Energy: 0.6545394913346215
Energy: 0.4923661432144796
Energy: 0.7406552036412648
Energy: 0.6059494333649165
Energy: 0.6545394918808403
Energy: 0.47172450851176645
Energy: 0.2943534192733365
Energy: 0.674470044683598
Energy: 0.4702560070727117
Energy: 0.618549837337385
Energy: 0.2943095814025204
Energy: 0.6744700446572627
Energy: 0.47025600668438533
Energy: 0.7631735404575027
Energy: 0.6231463860183333
Energy: 0.828671494408553
Energy: 0.49171640312356085
Energy: 0.7631735381805143
Energy: 0.6231463859788303
Energy: 0.8286706700871431
Energy: 0.31570982007622655
Energy: 0.6382189707707465
Energy: 0.4859882235925666
Energy: 0.36872626854694174
Energy: 0.315689363376046
Energy: 0.638218971280754
Energy: 0.4859617226201873
Energy: 0.5164097865886105
Energy: 0.5880316855963174
Energy: 0.840146814990148
Energy: 0.7563386514520468
Energy: 0.5164097866050701
Energy: 0.58803168556669
Energy: 0.8401465775608185
Energy: 0.32991189678267974
Energy: 0.5864143525152213
Energy: 0.49074693782599244
Energy: 0.3560020629661467
Energy: 0.32991150371808076
Energy: 0.5864143524987618
Energy: 0.4907469568514121
Energy: 0.6222293315430316
Energy: 0.6627837074604915
Energy: 0.8836919812722164
Energy: 0.6917015280932506
Energy: 0.622229331598994
Energy: 0.6627837074506159
Energy: 0.8836919556067028
Energy: 0.6083212278195012
Energy: 0.601943961607622
Energy: 0.6149229081754863
Energy: 0.3470966110288943
Energy: 0.6083212278326688
Energy: 0.6019439618149528
Energy: 0.6149226708087033
Energy: 0.5685512205449321
Energy: 0.5842776948335523
Energy: 0.7162332609039375
Energy: 0.4968183240757653
Energy: 0.5685512205251807
Energy: 0.5842776948302603
Energy: 0.719449296906309
Energy: 0.7148260991474015
Energy: 0.45831922070845355
Energy: 0.4879901074925612
Energy: 0.6195510819036234
Energy: 0.7148260991408175
Energy: 0.4583117836394787
Energy: 0.48799005637532883
Energy: 0.6197874818410107
Energy: 0.30264916071860526
Energy: 0.6332930477730797
Energy: 0.39909479571309797
Energy: 0.6197874818607622
Energy: 0.30264916053437774
Energy: 0.6332965888352226
Energy: 0.4191419528733906
Energy: 0.4980425664316636
Energy: 0.5874057316544964
Energy: 0.46462450533654337
Energy: 0.4191419517546179
Energy: 0.49804256714235845
Energy: 0.5874065685585674
Energy: 0.5983106776027871
Energy: 0.6220970051905528
Energy: 0.9114908912778064
Energy: 0.6973538194183909
Energy: 0.5983106775929115
Energy: 0.6220970065001369
Energy: 0.836676393185227
Energy: 0.2901329137379942
Energy: 0.520388592413395
Energy: 0.37887441608671485
Energy: 0.5857428968796619
Energy: 0.29014306882771856
Energy: 0.5203894055735336
Energy: 0.3788481498125717
Energy: 0.8735992580177475
Energy: 0.5642854163360983
Energy: 0.3712856473976058
Energy: 0.680032851287083
Energy: 0.8735992580276233
Energy: 0.5642854119170302
Energy: 0.3712916119223587
Energy: 0.34340951531803576
Energy: 0.47398818903935175
Energy: 0.7536318065018056
Energy: 0.42192689689692164
Energy: 0.34343806066632115
Energy: 0.4738186778628398
Energy: 0.752571492616541
Energy: 0.3066679107348185
Energy: 0.6934086081684645
Energy: 0.632224049703597
Energy: 0.6777945676831278
Energy: 0.3066740828938281
Energy: 0.693408658834884
Energy: 0.6321757988890007
Energy: 0.5379725158709802
Energy: 0.3973780351589074
Energy: 0.42555229960803564
Energy: 0.6306786545553632
Energy: 0.5379724504008139
Energy: 0.39737739575777226
Energy: 0.43383985761357763
Energy: 0.5815755401894578
Energy: 0.5843642944734865
Energy: 0.5955553724379092
Energy: 0.6390262603087428
Energy: 0.5815755401959817
Energy: 0.5843643011366838
Energy: 0.5954176715994111

minimum gb energy = 0.234366773964769 eV
minimum distance =  2.20131292555744 Angstroms
sigma value = 365


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

Energy: 0.39703110673800646
Energy: 0.08744253083725478
Energy: 0.6698372052798743
Energy: 0.08744449639553392
Energy: 0.39692654119110604
Energy: 0.08744323453374102
Energy: 0.5798568942917545
Energy: 0.39729648139302387
Energy: 0.08744855414552007
Energy: 1.296783204722353
Energy: 0.08745007539687594
Energy: 0.3978723126783673
Energy: 0.08744957452506483
Energy: 0.5796445969736473
Energy: 0.40259011401566563
Energy: 0.087451814489946
Energy: 0.8865877697824164
Energy: 0.08744517445657791
Energy: 0.4025173530139147
Energy: 0.08744984723424722
Energy: 0.8827119433316469
Energy: 0.39672963875488726
Energy: 0.08744473292279714
Energy: 0.7693266223693153
Energy: 0.08744444883398056
Energy: 0.3987479758547841
Energy: 0.0874450895624199
Energy: 0.4794451107330493
Energy: 0.3970981603340898
Energy: 0.0874492662415244
Energy: 0.8865891709652027
Energy: 0.08744977069585101
Energy: 0.39867039636018525
Energy: 0.08744841830316741
Energy: 0.5522970031140831
Energy: 0.40257235019776333
Energy: 0.08745145603195816
Energy: 0.802676320145487
Energy: 0.0874449546615188
Energy: 0.40239643114896173
Energy: 0.08745150868202563
Energy: 0.802669989708044
Energy: 0.4088474703912915
Energy: 0.08744342449727611
Energy: 0.49602389944476427
Energy: 0.08744530954738194
Energy: 0.4087801073921885
Energy: 0.08744217341494459
Energy: 0.769329375949947
Energy: 0.39679153593815664
Energy: 0.08745224574653482
Energy: 0.8026547794882318
Energy: 0.08745132293825533
Energy: 0.4021095730567065
Energy: 0.08745138360503252
Energy: 0.8866213246043959
Energy: 0.4024306058467657
Energy: 0.08744982345643935
Energy: 0.6880932664825773
Energy: 0.08744718455844196
Energy: 0.4024273450638998
Energy: 0.0874493539948193
Energy: 0.6880926258913781
Energy: 0.40724363231231575
Energy: 0.08744469756803015
Energy: 0.6698375800524081
Energy: 0.08744347141935362
Energy: 0.3975321794395962
Energy: 0.0874448990892271
Energy: 0.8866234020431871
Energy: 0.39720520182484864
Energy: 0.08745259936228521
Energy: 0.6880930700068466
Energy: 0.08745029953335376
Energy: 0.39723050204768007
Energy: 0.0874521301885052
Energy: 1.1189248759477035
Energy: 0.402499409243353
Energy: 0.08744971511168406
Energy: 0.5758586512507289
Energy: 0.08744592162092614
Energy: 0.40248157713894145
Energy: 0.08745110823248625
Energy: 0.5756627893767299
Energy: 0.4072169460216742
Energy: 0.08744324978001979
Energy: 0.5759887740308565
Energy: 0.08744239211721011
Energy: 0.3967075424057864
Energy: 0.08744269520465067
Energy: 0.6880927627181626
Energy: 0.39773772761247866
Energy: 0.08745190158595219
Energy: 0.5758362805958982
Energy: 0.08744876767246741
Energy: 0.39864841032180204
Energy: 0.08745162575269992
Energy: 1.2967831773442504
Energy: 0.40380079422836995
Energy: 0.08744924502020304
Energy: 0.5758802348617351
Energy: 0.08744484105389902
Energy: 0.41241518469892174
Energy: 0.08745006932538063
Energy: 0.5760087026602632
Energy: 0.4065250473400147
Energy: 0.08744556184910299
Energy: 0.5770814763070334
Energy: 0.08744343217344933
Energy: 0.40057923625334674
Energy: 0.08744546066934504
Energy: 0.8026478190758336
Energy: 0.3966318521261351
Energy: 0.08745141445064279
Energy: 0.5753059714612428
Energy: 0.08744872829600275
Energy: 0.4020726757136879
Energy: 0.08745181003422793
Energy: 0.9064952323331666
Energy: 0.4075182670937224
Energy: 0.08745033235906202
Energy: 0.5750044027523921
Energy: 0.08744330407332601
Energy: 0.4038938326338165
Energy: 0.08745016889749187
Energy: 0.5770440708559548
Energy: 0.3971693972764589
Energy: 0.08744477888115702
Energy: 0.577673584995025
Energy: 0.08744493793525235
Energy: 0.39336583009092835
Energy: 0.08744653702402938
Energy: 0.6880931971388665
Energy: 0.3973948278800492
Energy: 0.0874520808524105
Energy: 0.5777006830665968
Energy: 0.08744916283093858
Energy: 0.39732367386287326
Energy: 0.08745260986129483
Energy: 0.6880932704961106

minimum gb energy = 0.08744217341494459 eV
minimum distance =  2.31884080139262 Angstroms
sigma value = 23